USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 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 180:sc= -1.3 USER MOD Set 1.2: A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -129:sc= -0.671 (180deg=-2.29!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0329 (180deg=-0.41) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 84 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.4!) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.0768 (180deg=-0.539) USER MOD Single : A 91 MET CE :methyl -154:sc= -0.115 (180deg=-0.968) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.31) USER MOD Single : A 100 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= -0.734! (180deg=-0.817!) USER MOD Single : A 117 SER OG : rot -150:sc= 0.648 USER MOD Single : A 119 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.3!) USER MOD Single : A 120 SER OG : rot -23:sc= 0.711 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.0102 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 -14.850 -23.088 4.583 1.00 0.00 N ATOM 2 CA GLY A -4 -14.554 -21.976 3.637 1.00 0.00 C ATOM 3 C GLY A -4 -13.449 -22.409 2.680 1.00 0.00 C ATOM 4 O GLY A -4 -12.310 -21.952 2.785 1.00 0.00 O ATOM 0 H1 GLY A -4 -15.874 -23.271 4.594 1.00 0.00 H new ATOM 0 H2 GLY A -4 -14.348 -23.946 4.278 1.00 0.00 H new ATOM 0 H3 GLY A -4 -14.535 -22.824 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -15.451 -21.710 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -14.246 -21.087 4.188 1.00 0.00 H new ATOM 10 N PRO A -3 -13.765 -23.280 1.758 1.00 0.00 N ATOM 11 CA PRO A -3 -12.782 -23.796 0.756 1.00 0.00 C ATOM 12 C PRO A -3 -12.155 -22.667 -0.063 1.00 0.00 C ATOM 13 O PRO A -3 -12.825 -21.697 -0.418 1.00 0.00 O ATOM 14 CB PRO A -3 -13.628 -24.728 -0.135 1.00 0.00 C ATOM 15 CG PRO A -3 -14.804 -25.104 0.708 1.00 0.00 C ATOM 16 CD PRO A -3 -15.097 -23.878 1.569 1.00 0.00 C ATOM 0 HA PRO A -3 -11.939 -24.303 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -13.942 -24.223 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -13.061 -25.608 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -15.663 -25.364 0.090 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -14.582 -25.974 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -15.781 -23.190 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -15.555 -24.152 2.519 1.00 0.00 H new ATOM 24 N LEU A -2 -10.867 -22.805 -0.362 1.00 0.00 N ATOM 25 CA LEU A -2 -10.164 -21.796 -1.143 1.00 0.00 C ATOM 26 C LEU A -2 -10.319 -20.417 -0.504 1.00 0.00 C ATOM 27 O LEU A -2 -10.103 -20.252 0.699 1.00 0.00 O ATOM 28 CB LEU A -2 -10.721 -21.772 -2.570 1.00 0.00 C ATOM 29 CG LEU A -2 -10.674 -23.182 -3.170 1.00 0.00 C ATOM 30 CD1 LEU A -2 -11.283 -23.153 -4.576 1.00 0.00 C ATOM 31 CD2 LEU A -2 -9.219 -23.674 -3.247 1.00 0.00 C ATOM 0 H LEU A -2 -10.294 -23.599 -0.078 1.00 0.00 H new ATOM 0 HA LEU A -2 -9.104 -22.048 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -11.747 -21.404 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -10.140 -21.085 -3.186 1.00 0.00 H new ATOM 0 HG LEU A -2 -11.244 -23.862 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -11.252 -24.154 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -12.318 -22.815 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -10.713 -22.469 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -9.196 -24.676 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -8.639 -22.998 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -8.789 -23.697 -2.246 1.00 0.00 H new ATOM 43 N GLY A -1 -10.691 -19.432 -1.313 1.00 0.00 N ATOM 44 CA GLY A -1 -10.867 -18.070 -0.820 1.00 0.00 C ATOM 45 C GLY A -1 -9.530 -17.340 -0.762 1.00 0.00 C ATOM 46 O GLY A -1 -9.462 -16.181 -0.355 1.00 0.00 O ATOM 0 H GLY A -1 -10.876 -19.549 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -11.554 -17.529 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -11.318 -18.093 0.172 1.00 0.00 H new ATOM 50 N SER A 0 -8.471 -18.026 -1.181 1.00 0.00 N ATOM 51 CA SER A 0 -7.139 -17.432 -1.182 1.00 0.00 C ATOM 52 C SER A 0 -7.085 -16.250 -2.144 1.00 0.00 C ATOM 53 O SER A 0 -7.714 -16.269 -3.200 1.00 0.00 O ATOM 54 CB SER A 0 -6.098 -18.476 -1.588 1.00 0.00 C ATOM 55 OG SER A 0 -4.824 -17.853 -1.702 1.00 0.00 O ATOM 0 H SER A 0 -8.508 -18.987 -1.522 1.00 0.00 H new ATOM 0 HA SER A 0 -6.917 -17.078 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 0 -6.060 -19.275 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 0 -6.377 -18.934 -2.537 1.00 0.00 H new ATOM 0 HG SER A 0 -4.155 -18.521 -1.960 1.00 0.00 H new ATOM 61 N ARG A 74 -6.334 -15.221 -1.767 1.00 0.00 N ATOM 62 CA ARG A 74 -6.214 -14.034 -2.604 1.00 0.00 C ATOM 63 C ARG A 74 -5.613 -14.391 -3.959 1.00 0.00 C ATOM 64 O ARG A 74 -4.616 -15.108 -4.040 1.00 0.00 O ATOM 65 CB ARG A 74 -5.333 -12.992 -1.909 1.00 0.00 C ATOM 66 CG ARG A 74 -5.232 -11.740 -2.782 1.00 0.00 C ATOM 67 CD ARG A 74 -4.498 -10.639 -2.014 1.00 0.00 C ATOM 68 NE ARG A 74 -5.321 -10.168 -0.906 1.00 0.00 N ATOM 69 CZ ARG A 74 -6.289 -9.277 -1.102 1.00 0.00 C ATOM 70 NH1 ARG A 74 -6.513 -8.810 -2.300 1.00 0.00 N ATOM 71 NH2 ARG A 74 -7.017 -8.871 -0.097 1.00 0.00 N ATOM 0 H ARG A 74 -5.804 -15.185 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.210 -13.621 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.753 -12.736 -0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.340 -13.403 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.701 -11.970 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.228 -11.399 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.549 -11.019 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.266 -9.810 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.152 -10.527 0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.946 -9.128 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.255 -8.127 -2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.844 -9.237 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.759 -8.188 -0.248 1.00 0.00 H new ATOM 85 N LYS A 75 -6.233 -13.885 -5.022 1.00 0.00 N ATOM 86 CA LYS A 75 -5.758 -14.154 -6.374 1.00 0.00 C ATOM 87 C LYS A 75 -4.336 -13.636 -6.554 1.00 0.00 C ATOM 88 O LYS A 75 -3.952 -12.631 -5.955 1.00 0.00 O ATOM 89 CB LYS A 75 -6.684 -13.485 -7.392 1.00 0.00 C ATOM 90 CG LYS A 75 -6.686 -11.970 -7.168 1.00 0.00 C ATOM 91 CD LYS A 75 -7.659 -11.310 -8.144 1.00 0.00 C ATOM 92 CE LYS A 75 -7.771 -9.818 -7.818 1.00 0.00 C ATOM 93 NZ LYS A 75 -6.439 -9.171 -7.984 1.00 0.00 N ATOM 0 H LYS A 75 -7.060 -13.290 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.760 -15.232 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.352 -13.712 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.695 -13.879 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.975 -11.744 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.683 -11.569 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.312 -11.445 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.638 -11.783 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.501 -9.345 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.127 -9.684 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.559 -8.140 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.838 -9.399 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.989 -9.522 -8.853 1.00 0.00 H new ATOM 107 N ILE A 76 -3.559 -14.327 -7.382 1.00 0.00 N ATOM 108 CA ILE A 76 -2.178 -13.931 -7.639 1.00 0.00 C ATOM 109 C ILE A 76 -2.105 -13.021 -8.862 1.00 0.00 C ATOM 110 O ILE A 76 -2.660 -13.334 -9.918 1.00 0.00 O ATOM 111 CB ILE A 76 -1.311 -15.169 -7.864 1.00 0.00 C ATOM 112 CG1 ILE A 76 -1.553 -16.176 -6.730 1.00 0.00 C ATOM 113 CG2 ILE A 76 0.166 -14.765 -7.891 1.00 0.00 C ATOM 114 CD1 ILE A 76 -1.330 -15.518 -5.361 1.00 0.00 C ATOM 0 H ILE A 76 -3.860 -15.161 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.806 -13.386 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.574 -15.628 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.570 -16.563 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.881 -17.027 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.782 -15.650 -8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.334 -14.054 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.434 -14.303 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.507 -16.250 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.305 -15.154 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.020 -14.683 -5.242 1.00 0.00 H new ATOM 126 N ALA A 77 -1.418 -11.897 -8.710 1.00 0.00 N ATOM 127 CA ALA A 77 -1.274 -10.942 -9.801 1.00 0.00 C ATOM 128 C ALA A 77 -0.583 -11.594 -10.990 1.00 0.00 C ATOM 129 O ALA A 77 -0.023 -12.684 -10.875 1.00 0.00 O ATOM 130 CB ALA A 77 -0.461 -9.732 -9.336 1.00 0.00 C ATOM 0 H ALA A 77 -0.953 -11.624 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.268 -10.614 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.359 -9.024 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.972 -9.249 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.528 -10.060 -9.015 1.00 0.00 H new ATOM 136 N GLN A 78 -0.633 -10.927 -12.139 1.00 0.00 N ATOM 137 CA GLN A 78 -0.015 -11.463 -13.345 1.00 0.00 C ATOM 138 C GLN A 78 1.465 -11.740 -13.103 1.00 0.00 C ATOM 139 O GLN A 78 2.205 -10.868 -12.651 1.00 0.00 O ATOM 140 CB GLN A 78 -0.164 -10.460 -14.492 1.00 0.00 C ATOM 141 CG GLN A 78 -1.645 -10.299 -14.842 1.00 0.00 C ATOM 142 CD GLN A 78 -1.809 -9.257 -15.945 1.00 0.00 C ATOM 143 OE1 GLN A 78 -0.862 -8.972 -16.678 1.00 0.00 O ATOM 144 NE2 GLN A 78 -2.964 -8.670 -16.105 1.00 0.00 N ATOM 0 H GLN A 78 -1.090 -10.023 -12.259 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.513 -12.396 -13.608 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.259 -9.498 -14.204 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.391 -10.804 -15.364 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.056 -11.254 -15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.206 -9.996 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.746 -8.909 -15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.084 -7.972 -16.839 1.00 0.00 H new ATOM 153 N MET A 79 1.889 -12.964 -13.410 1.00 0.00 N ATOM 154 CA MET A 79 3.285 -13.353 -13.226 1.00 0.00 C ATOM 155 C MET A 79 4.126 -12.908 -14.414 1.00 0.00 C ATOM 156 O MET A 79 3.695 -12.995 -15.564 1.00 0.00 O ATOM 157 CB MET A 79 3.386 -14.871 -13.058 1.00 0.00 C ATOM 158 CG MET A 79 2.596 -15.300 -11.819 1.00 0.00 C ATOM 159 SD MET A 79 0.820 -15.204 -12.165 1.00 0.00 S ATOM 160 CE MET A 79 0.553 -16.953 -12.552 1.00 0.00 C ATOM 0 H MET A 79 1.290 -13.699 -13.785 1.00 0.00 H new ATOM 0 HA MET A 79 3.665 -12.865 -12.328 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.995 -15.373 -13.943 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.430 -15.168 -12.958 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.867 -16.317 -11.537 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.847 -14.658 -10.975 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.496 -17.115 -12.798 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.173 -17.236 -13.403 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.821 -17.562 -11.689 1.00 0.00 H new ATOM 170 N THR A 80 5.333 -12.433 -14.127 1.00 0.00 N ATOM 171 CA THR A 80 6.232 -11.975 -15.179 1.00 0.00 C ATOM 172 C THR A 80 6.855 -13.165 -15.896 1.00 0.00 C ATOM 173 O THR A 80 6.796 -14.293 -15.412 1.00 0.00 O ATOM 174 CB THR A 80 7.334 -11.099 -14.582 1.00 0.00 C ATOM 175 OG1 THR A 80 8.131 -11.877 -13.702 1.00 0.00 O ATOM 176 CG2 THR A 80 6.701 -9.940 -13.811 1.00 0.00 C ATOM 0 H THR A 80 5.709 -12.355 -13.182 1.00 0.00 H new ATOM 0 HA THR A 80 5.658 -11.390 -15.897 1.00 0.00 H new ATOM 0 HB THR A 80 7.959 -10.703 -15.382 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.839 -11.317 -13.320 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.486 -9.315 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.089 -9.344 -14.488 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.076 -10.334 -13.010 1.00 0.00 H new ATOM 184 N GLU A 81 7.444 -12.905 -17.057 1.00 0.00 N ATOM 185 CA GLU A 81 8.062 -13.969 -17.835 1.00 0.00 C ATOM 186 C GLU A 81 9.198 -14.610 -17.046 1.00 0.00 C ATOM 187 O GLU A 81 9.351 -15.831 -17.039 1.00 0.00 O ATOM 188 CB GLU A 81 8.608 -13.404 -19.153 1.00 0.00 C ATOM 189 CG GLU A 81 9.185 -14.536 -20.015 1.00 0.00 C ATOM 190 CD GLU A 81 8.081 -15.517 -20.389 1.00 0.00 C ATOM 191 OE1 GLU A 81 6.928 -15.119 -20.355 1.00 0.00 O ATOM 192 OE2 GLU A 81 8.402 -16.652 -20.701 1.00 0.00 O ATOM 0 H GLU A 81 7.506 -11.977 -17.476 1.00 0.00 H new ATOM 0 HA GLU A 81 7.308 -14.726 -18.050 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.813 -12.893 -19.695 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.381 -12.663 -18.947 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.638 -14.124 -20.917 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.974 -15.054 -19.470 1.00 0.00 H new ATOM 199 N GLU A 82 9.998 -13.781 -16.391 1.00 0.00 N ATOM 200 CA GLU A 82 11.122 -14.284 -15.614 1.00 0.00 C ATOM 201 C GLU A 82 10.632 -15.161 -14.469 1.00 0.00 C ATOM 202 O GLU A 82 11.237 -16.188 -14.159 1.00 0.00 O ATOM 203 CB GLU A 82 11.939 -13.118 -15.053 1.00 0.00 C ATOM 204 CG GLU A 82 13.254 -13.636 -14.457 1.00 0.00 C ATOM 205 CD GLU A 82 13.007 -14.266 -13.089 1.00 0.00 C ATOM 206 OE1 GLU A 82 12.085 -13.839 -12.416 1.00 0.00 O ATOM 207 OE2 GLU A 82 13.747 -15.170 -12.735 1.00 0.00 O ATOM 0 H GLU A 82 9.892 -12.767 -16.381 1.00 0.00 H new ATOM 0 HA GLU A 82 11.752 -14.882 -16.272 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.148 -12.396 -15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.364 -12.596 -14.288 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.700 -14.371 -15.127 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.966 -12.816 -14.364 1.00 0.00 H new ATOM 214 N GLU A 83 9.542 -14.745 -13.831 1.00 0.00 N ATOM 215 CA GLU A 83 8.996 -15.500 -12.711 1.00 0.00 C ATOM 216 C GLU A 83 8.543 -16.881 -13.179 1.00 0.00 C ATOM 217 O GLU A 83 8.780 -17.883 -12.508 1.00 0.00 O ATOM 218 CB GLU A 83 7.807 -14.746 -12.102 1.00 0.00 C ATOM 219 CG GLU A 83 7.339 -15.451 -10.824 1.00 0.00 C ATOM 220 CD GLU A 83 8.422 -15.356 -9.754 1.00 0.00 C ATOM 221 OE1 GLU A 83 9.257 -14.473 -9.864 1.00 0.00 O ATOM 222 OE2 GLU A 83 8.401 -16.164 -8.840 1.00 0.00 O ATOM 0 H GLU A 83 9.025 -13.898 -14.068 1.00 0.00 H new ATOM 0 HA GLU A 83 9.773 -15.617 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.094 -13.719 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.989 -14.698 -12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.417 -14.995 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.115 -16.497 -11.036 1.00 0.00 H new ATOM 229 N GLN A 84 7.887 -16.924 -14.335 1.00 0.00 N ATOM 230 CA GLN A 84 7.406 -18.192 -14.878 1.00 0.00 C ATOM 231 C GLN A 84 8.572 -19.116 -15.207 1.00 0.00 C ATOM 232 O GLN A 84 8.510 -20.321 -14.964 1.00 0.00 O ATOM 233 CB GLN A 84 6.578 -17.942 -16.140 1.00 0.00 C ATOM 234 CG GLN A 84 5.257 -17.273 -15.760 1.00 0.00 C ATOM 235 CD GLN A 84 4.512 -16.839 -17.018 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.131 -16.562 -18.043 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.208 -16.762 -16.997 1.00 0.00 N ATOM 0 H GLN A 84 7.678 -16.107 -14.908 1.00 0.00 H new ATOM 0 HA GLN A 84 6.782 -18.671 -14.124 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.133 -17.308 -16.832 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.386 -18.884 -16.654 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.642 -17.964 -15.184 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.447 -16.409 -15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.697 -16.993 -16.145 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.701 -16.471 -17.833 1.00 0.00 H new ATOM 246 N PHE A 85 9.635 -18.545 -15.761 1.00 0.00 N ATOM 247 CA PHE A 85 10.810 -19.330 -16.118 1.00 0.00 C ATOM 248 C PHE A 85 11.414 -19.978 -14.878 1.00 0.00 C ATOM 249 O PHE A 85 11.736 -21.165 -14.877 1.00 0.00 O ATOM 250 CB PHE A 85 11.850 -18.433 -16.795 1.00 0.00 C ATOM 251 CG PHE A 85 13.071 -19.251 -17.149 1.00 0.00 C ATOM 252 CD1 PHE A 85 12.996 -20.209 -18.168 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.276 -19.055 -16.461 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.126 -20.965 -18.504 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.405 -19.812 -16.799 1.00 0.00 C ATOM 256 CZ PHE A 85 15.329 -20.769 -17.818 1.00 0.00 C ATOM 0 H PHE A 85 9.708 -17.550 -15.971 1.00 0.00 H new ATOM 0 HA PHE A 85 10.507 -20.115 -16.811 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.428 -17.984 -17.694 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.128 -17.615 -16.130 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.066 -20.365 -18.695 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.334 -18.321 -15.671 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.068 -21.700 -19.293 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.335 -19.657 -16.273 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.199 -21.356 -18.074 1.00 0.00 H new ATOM 266 N ALA A 86 11.560 -19.188 -13.821 1.00 0.00 N ATOM 267 CA ALA A 86 12.121 -19.691 -12.575 1.00 0.00 C ATOM 268 C ALA A 86 11.249 -20.804 -12.010 1.00 0.00 C ATOM 269 O ALA A 86 11.752 -21.797 -11.483 1.00 0.00 O ATOM 270 CB ALA A 86 12.229 -18.559 -11.555 1.00 0.00 C ATOM 0 H ALA A 86 11.299 -18.202 -13.802 1.00 0.00 H new ATOM 0 HA ALA A 86 13.115 -20.089 -12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.650 -18.945 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.876 -17.775 -11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.238 -18.148 -11.361 1.00 0.00 H new ATOM 276 N LEU A 87 9.938 -20.631 -12.118 1.00 0.00 N ATOM 277 CA LEU A 87 9.008 -21.630 -11.606 1.00 0.00 C ATOM 278 C LEU A 87 9.212 -22.956 -12.329 1.00 0.00 C ATOM 279 O LEU A 87 9.196 -24.019 -11.711 1.00 0.00 O ATOM 280 CB LEU A 87 7.563 -21.153 -11.796 1.00 0.00 C ATOM 281 CG LEU A 87 6.578 -22.193 -11.231 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.813 -22.384 -9.721 1.00 0.00 C ATOM 283 CD2 LEU A 87 5.143 -21.711 -11.479 1.00 0.00 C ATOM 0 H LEU A 87 9.498 -19.819 -12.550 1.00 0.00 H new ATOM 0 HA LEU A 87 9.199 -21.771 -10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.420 -20.196 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.363 -20.990 -12.855 1.00 0.00 H new ATOM 0 HG LEU A 87 6.736 -23.149 -11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.110 -23.122 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.833 -22.731 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.663 -21.435 -9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.440 -22.443 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.990 -20.753 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.978 -21.594 -12.550 1.00 0.00 H new ATOM 295 N ALA A 88 9.396 -22.888 -13.641 1.00 0.00 N ATOM 296 CA ALA A 88 9.588 -24.095 -14.433 1.00 0.00 C ATOM 297 C ALA A 88 10.829 -24.849 -13.963 1.00 0.00 C ATOM 298 O ALA A 88 10.830 -26.077 -13.883 1.00 0.00 O ATOM 299 CB ALA A 88 9.739 -23.726 -15.910 1.00 0.00 C ATOM 0 H ALA A 88 9.416 -22.019 -14.175 1.00 0.00 H new ATOM 0 HA ALA A 88 8.717 -24.738 -14.306 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.882 -24.632 -16.499 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.841 -23.211 -16.250 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.602 -23.072 -16.035 1.00 0.00 H new ATOM 305 N LEU A 89 11.881 -24.105 -13.648 1.00 0.00 N ATOM 306 CA LEU A 89 13.121 -24.714 -13.178 1.00 0.00 C ATOM 307 C LEU A 89 12.893 -25.438 -11.858 1.00 0.00 C ATOM 308 O LEU A 89 13.421 -26.526 -11.630 1.00 0.00 O ATOM 309 CB LEU A 89 14.192 -23.638 -12.999 1.00 0.00 C ATOM 310 CG LEU A 89 14.627 -23.104 -14.372 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.521 -21.874 -14.172 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.396 -24.189 -15.160 1.00 0.00 C ATOM 0 H LEU A 89 11.903 -23.087 -13.708 1.00 0.00 H new ATOM 0 HA LEU A 89 13.456 -25.438 -13.920 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.803 -22.823 -12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.051 -24.051 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 89 13.741 -22.829 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.834 -21.490 -15.143 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.965 -21.103 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.401 -22.154 -13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.695 -23.791 -16.130 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.283 -24.486 -14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.753 -25.057 -15.307 1.00 0.00 H new ATOM 324 N LYS A 90 12.094 -24.831 -10.993 1.00 0.00 N ATOM 325 CA LYS A 90 11.793 -25.425 -9.701 1.00 0.00 C ATOM 326 C LYS A 90 11.039 -26.734 -9.889 1.00 0.00 C ATOM 327 O LYS A 90 11.264 -27.704 -9.165 1.00 0.00 O ATOM 328 CB LYS A 90 10.964 -24.457 -8.856 1.00 0.00 C ATOM 329 CG LYS A 90 10.698 -25.074 -7.482 1.00 0.00 C ATOM 330 CD LYS A 90 9.957 -24.066 -6.604 1.00 0.00 C ATOM 331 CE LYS A 90 9.640 -24.705 -5.253 1.00 0.00 C ATOM 332 NZ LYS A 90 10.912 -25.076 -4.570 1.00 0.00 N ATOM 0 H LYS A 90 11.644 -23.931 -11.162 1.00 0.00 H new ATOM 0 HA LYS A 90 12.730 -25.630 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.493 -23.511 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.021 -24.238 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.106 -25.983 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.639 -25.359 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.567 -23.174 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.036 -23.749 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.071 -24.011 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.018 -25.589 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.739 -25.188 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.268 -25.971 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.618 -24.328 -4.721 1.00 0.00 H new ATOM 346 N MET A 91 10.138 -26.757 -10.861 1.00 0.00 N ATOM 347 CA MET A 91 9.349 -27.951 -11.129 1.00 0.00 C ATOM 348 C MET A 91 10.258 -29.110 -11.534 1.00 0.00 C ATOM 349 O MET A 91 10.068 -30.245 -11.097 1.00 0.00 O ATOM 350 CB MET A 91 8.356 -27.663 -12.255 1.00 0.00 C ATOM 351 CG MET A 91 7.281 -26.688 -11.765 1.00 0.00 C ATOM 352 SD MET A 91 6.237 -27.496 -10.523 1.00 0.00 S ATOM 353 CE MET A 91 5.367 -28.639 -11.631 1.00 0.00 C ATOM 0 H MET A 91 9.936 -25.967 -11.474 1.00 0.00 H new ATOM 0 HA MET A 91 8.809 -28.228 -10.223 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.879 -27.241 -13.113 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.892 -28.591 -12.589 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.749 -25.801 -11.338 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.671 -26.354 -12.604 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.397 -28.893 -11.203 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.222 -28.165 -12.602 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.958 -29.547 -11.754 1.00 0.00 H new ATOM 363 N SER A 92 11.256 -28.817 -12.361 1.00 0.00 N ATOM 364 CA SER A 92 12.190 -29.847 -12.800 1.00 0.00 C ATOM 365 C SER A 92 12.970 -30.399 -11.609 1.00 0.00 C ATOM 366 O SER A 92 13.205 -31.606 -11.509 1.00 0.00 O ATOM 367 CB SER A 92 13.160 -29.263 -13.827 1.00 0.00 C ATOM 368 OG SER A 92 12.440 -28.903 -14.998 1.00 0.00 O ATOM 0 H SER A 92 11.438 -27.886 -12.737 1.00 0.00 H new ATOM 0 HA SER A 92 11.626 -30.660 -13.257 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.664 -28.390 -13.413 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.933 -29.992 -14.071 1.00 0.00 H new ATOM 0 HG SER A 92 13.058 -28.526 -15.659 1.00 0.00 H new ATOM 374 N GLU A 93 13.358 -29.507 -10.705 1.00 0.00 N ATOM 375 CA GLU A 93 14.103 -29.913 -9.519 1.00 0.00 C ATOM 376 C GLU A 93 13.245 -30.822 -8.648 1.00 0.00 C ATOM 377 O GLU A 93 13.730 -31.810 -8.100 1.00 0.00 O ATOM 378 CB GLU A 93 14.534 -28.681 -8.720 1.00 0.00 C ATOM 379 CG GLU A 93 15.361 -29.117 -7.505 1.00 0.00 C ATOM 380 CD GLU A 93 15.854 -27.891 -6.743 1.00 0.00 C ATOM 381 OE1 GLU A 93 15.548 -26.791 -7.168 1.00 0.00 O ATOM 382 OE2 GLU A 93 16.531 -28.073 -5.743 1.00 0.00 O ATOM 0 H GLU A 93 13.171 -28.506 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 93 14.992 -30.459 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.121 -28.013 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.657 -28.122 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.757 -29.744 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.210 -29.719 -7.829 1.00 0.00 H new ATOM 389 N GLN A 94 11.971 -30.484 -8.530 1.00 0.00 N ATOM 390 CA GLN A 94 11.055 -31.280 -7.726 1.00 0.00 C ATOM 391 C GLN A 94 10.950 -32.692 -8.292 1.00 0.00 C ATOM 392 O GLN A 94 10.898 -33.666 -7.543 1.00 0.00 O ATOM 393 CB GLN A 94 9.671 -30.627 -7.709 1.00 0.00 C ATOM 394 CG GLN A 94 9.720 -29.349 -6.867 1.00 0.00 C ATOM 395 CD GLN A 94 9.876 -29.703 -5.393 1.00 0.00 C ATOM 396 OE1 GLN A 94 9.015 -30.372 -4.821 1.00 0.00 O ATOM 397 NE2 GLN A 94 10.933 -29.305 -4.741 1.00 0.00 N ATOM 0 H GLN A 94 11.549 -29.670 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 94 11.439 -31.333 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.355 -30.394 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.936 -31.319 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.552 -28.723 -7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.809 -28.770 -7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.646 -28.751 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.047 -29.548 -3.757 1.00 0.00 H new ATOM 406 N GLU A 95 10.932 -32.802 -9.614 1.00 0.00 N ATOM 407 CA GLU A 95 10.841 -34.110 -10.252 1.00 0.00 C ATOM 408 C GLU A 95 12.044 -34.969 -9.877 1.00 0.00 C ATOM 409 O GLU A 95 11.909 -36.158 -9.601 1.00 0.00 O ATOM 410 CB GLU A 95 10.787 -33.937 -11.770 1.00 0.00 C ATOM 411 CG GLU A 95 9.444 -33.324 -12.168 1.00 0.00 C ATOM 412 CD GLU A 95 9.451 -32.974 -13.651 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.518 -33.004 -14.242 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.390 -32.677 -14.175 1.00 0.00 O ATOM 0 H GLU A 95 10.978 -32.013 -10.259 1.00 0.00 H new ATOM 0 HA GLU A 95 9.934 -34.607 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.604 -33.296 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.918 -34.901 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.637 -34.025 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.253 -32.429 -11.575 1.00 0.00 H new ATOM 421 N ALA A 96 13.218 -34.357 -9.858 1.00 0.00 N ATOM 422 CA ALA A 96 14.431 -35.080 -9.493 1.00 0.00 C ATOM 423 C ALA A 96 14.410 -35.448 -8.011 1.00 0.00 C ATOM 424 O ALA A 96 14.865 -36.521 -7.616 1.00 0.00 O ATOM 425 CB ALA A 96 15.664 -34.233 -9.805 1.00 0.00 C ATOM 0 H ALA A 96 13.359 -33.373 -10.088 1.00 0.00 H new ATOM 0 HA ALA A 96 14.475 -35.998 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.563 -34.783 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.690 -34.008 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.619 -33.303 -9.239 1.00 0.00 H new ATOM 431 N ARG A 97 13.892 -34.538 -7.195 1.00 0.00 N ATOM 432 CA ARG A 97 13.824 -34.753 -5.754 1.00 0.00 C ATOM 433 C ARG A 97 12.824 -35.855 -5.416 1.00 0.00 C ATOM 434 O ARG A 97 12.863 -36.430 -4.328 1.00 0.00 O ATOM 435 CB ARG A 97 13.411 -33.450 -5.060 1.00 0.00 C ATOM 436 CG ARG A 97 14.505 -32.380 -5.240 1.00 0.00 C ATOM 437 CD ARG A 97 15.596 -32.536 -4.176 1.00 0.00 C ATOM 438 NE ARG A 97 15.049 -32.233 -2.862 1.00 0.00 N ATOM 439 CZ ARG A 97 15.738 -32.488 -1.760 1.00 0.00 C ATOM 440 NH1 ARG A 97 16.923 -33.027 -1.845 1.00 0.00 N ATOM 441 NH2 ARG A 97 15.230 -32.202 -0.595 1.00 0.00 N ATOM 0 H ARG A 97 13.513 -33.644 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 97 14.808 -35.062 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.469 -33.091 -5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.242 -33.633 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.944 -32.466 -6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.063 -31.386 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.989 -33.553 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.429 -31.869 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 97 14.120 -31.818 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.317 -33.251 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.456 -33.224 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.303 -31.782 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.760 -32.398 0.254 1.00 0.00 H new ATOM 455 N GLU A 98 11.934 -36.148 -6.354 1.00 0.00 N ATOM 456 CA GLU A 98 10.932 -37.185 -6.143 1.00 0.00 C ATOM 457 C GLU A 98 11.563 -38.564 -6.216 1.00 0.00 C ATOM 458 O GLU A 98 10.959 -39.560 -5.815 1.00 0.00 O ATOM 459 CB GLU A 98 9.815 -37.063 -7.188 1.00 0.00 C ATOM 460 CG GLU A 98 8.855 -35.928 -6.808 1.00 0.00 C ATOM 461 CD GLU A 98 7.895 -36.402 -5.721 1.00 0.00 C ATOM 462 OE1 GLU A 98 7.993 -37.554 -5.332 1.00 0.00 O ATOM 463 OE2 GLU A 98 7.071 -35.608 -5.300 1.00 0.00 O ATOM 0 H GLU A 98 11.884 -35.687 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 98 10.505 -37.052 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.246 -36.871 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.268 -38.003 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.420 -35.065 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.294 -35.605 -7.685 1.00 0.00 H new ATOM 470 N VAL A 99 12.779 -38.616 -6.718 1.00 0.00 N ATOM 471 CA VAL A 99 13.493 -39.881 -6.828 1.00 0.00 C ATOM 472 C VAL A 99 14.128 -40.242 -5.490 1.00 0.00 C ATOM 473 O VAL A 99 14.837 -39.430 -4.894 1.00 0.00 O ATOM 474 CB VAL A 99 14.581 -39.779 -7.898 1.00 0.00 C ATOM 475 CG1 VAL A 99 15.361 -41.094 -7.961 1.00 0.00 C ATOM 476 CG2 VAL A 99 13.933 -39.504 -9.257 1.00 0.00 C ATOM 0 H VAL A 99 13.296 -37.804 -7.056 1.00 0.00 H new ATOM 0 HA VAL A 99 12.783 -40.658 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 99 15.262 -38.966 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.136 -41.021 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.822 -41.291 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.681 -41.909 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.707 -39.431 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.252 -40.318 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.378 -38.567 -9.212 1.00 0.00 H new ATOM 486 N ASN A 100 13.871 -41.460 -5.020 1.00 0.00 N ATOM 487 CA ASN A 100 14.427 -41.906 -3.746 1.00 0.00 C ATOM 488 C ASN A 100 15.837 -42.451 -3.936 1.00 0.00 C ATOM 489 O ASN A 100 16.050 -43.414 -4.675 1.00 0.00 O ATOM 490 CB ASN A 100 13.534 -42.997 -3.150 1.00 0.00 C ATOM 491 CG ASN A 100 12.221 -42.392 -2.662 1.00 0.00 C ATOM 492 OD1 ASN A 100 12.145 -41.187 -2.415 1.00 0.00 O ATOM 493 ND2 ASN A 100 11.178 -43.158 -2.508 1.00 0.00 N ATOM 0 H ASN A 100 13.288 -42.149 -5.496 1.00 0.00 H new ATOM 0 HA ASN A 100 14.470 -41.053 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.334 -43.763 -3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.048 -43.486 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.297 -42.760 -2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.243 -44.155 -2.713 1.00 0.00 H new ATOM 500 N SER A 101 16.794 -41.839 -3.247 1.00 0.00 N ATOM 501 CA SER A 101 18.184 -42.275 -3.324 1.00 0.00 C ATOM 502 C SER A 101 18.381 -43.560 -2.528 1.00 0.00 C ATOM 503 O SER A 101 19.271 -44.360 -2.818 1.00 0.00 O ATOM 504 CB SER A 101 19.108 -41.182 -2.792 1.00 0.00 C ATOM 505 OG SER A 101 19.036 -40.051 -3.652 1.00 0.00 O ATOM 0 H SER A 101 16.634 -41.042 -2.631 1.00 0.00 H new ATOM 0 HA SER A 101 18.431 -42.469 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.816 -40.903 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.133 -41.549 -2.739 1.00 0.00 H new ATOM 0 HG SER A 101 19.626 -39.345 -3.314 1.00 0.00 H new ATOM 511 N GLN A 102 17.552 -43.741 -1.513 1.00 0.00 N ATOM 512 CA GLN A 102 17.634 -44.925 -0.673 1.00 0.00 C ATOM 513 C GLN A 102 17.211 -46.167 -1.444 1.00 0.00 C ATOM 514 O GLN A 102 17.752 -47.248 -1.233 1.00 0.00 O ATOM 515 CB GLN A 102 16.755 -44.763 0.565 1.00 0.00 C ATOM 516 CG GLN A 102 17.340 -43.673 1.461 1.00 0.00 C ATOM 517 CD GLN A 102 16.478 -43.503 2.705 1.00 0.00 C ATOM 518 OE1 GLN A 102 16.017 -44.489 3.282 1.00 0.00 O ATOM 519 NE2 GLN A 102 16.232 -42.305 3.158 1.00 0.00 N ATOM 0 H GLN A 102 16.816 -43.085 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 102 18.672 -45.044 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 102 15.738 -44.502 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.697 -45.705 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 102 18.359 -43.934 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 102 17.394 -42.731 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 102 16.615 -41.490 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.657 -42.183 3.992 1.00 0.00 H new ATOM 528 N GLU A 103 16.220 -46.015 -2.317 1.00 0.00 N ATOM 529 CA GLU A 103 15.720 -47.156 -3.076 1.00 0.00 C ATOM 530 C GLU A 103 16.822 -47.750 -3.943 1.00 0.00 C ATOM 531 O GLU A 103 16.995 -48.965 -3.990 1.00 0.00 O ATOM 532 CB GLU A 103 14.566 -46.694 -3.973 1.00 0.00 C ATOM 533 CG GLU A 103 13.935 -47.891 -4.690 1.00 0.00 C ATOM 534 CD GLU A 103 13.300 -48.830 -3.673 1.00 0.00 C ATOM 535 OE1 GLU A 103 12.132 -48.642 -3.373 1.00 0.00 O ATOM 536 OE2 GLU A 103 13.987 -49.723 -3.209 1.00 0.00 O ATOM 0 H GLU A 103 15.754 -45.129 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 103 15.375 -47.919 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.813 -46.183 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.932 -45.975 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.182 -47.546 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.693 -48.423 -5.265 1.00 0.00 H new ATOM 543 N GLU A 104 17.580 -46.891 -4.605 1.00 0.00 N ATOM 544 CA GLU A 104 18.672 -47.362 -5.449 1.00 0.00 C ATOM 545 C GLU A 104 19.832 -47.858 -4.596 1.00 0.00 C ATOM 546 O GLU A 104 20.498 -48.833 -4.941 1.00 0.00 O ATOM 547 CB GLU A 104 19.141 -46.238 -6.376 1.00 0.00 C ATOM 548 CG GLU A 104 19.450 -44.992 -5.549 1.00 0.00 C ATOM 549 CD GLU A 104 19.824 -43.832 -6.462 1.00 0.00 C ATOM 550 OE1 GLU A 104 20.911 -43.862 -7.010 1.00 0.00 O ATOM 551 OE2 GLU A 104 19.013 -42.930 -6.601 1.00 0.00 O ATOM 0 H GLU A 104 17.464 -45.878 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 104 18.309 -48.193 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.028 -46.552 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.371 -46.016 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.583 -44.724 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.268 -45.199 -4.859 1.00 0.00 H new ATOM 558 N GLU A 105 20.066 -47.183 -3.477 1.00 0.00 N ATOM 559 CA GLU A 105 21.146 -47.572 -2.580 1.00 0.00 C ATOM 560 C GLU A 105 20.875 -48.953 -1.990 1.00 0.00 C ATOM 561 O GLU A 105 21.768 -49.791 -1.913 1.00 0.00 O ATOM 562 CB GLU A 105 21.286 -46.546 -1.457 1.00 0.00 C ATOM 563 CG GLU A 105 22.483 -46.912 -0.578 1.00 0.00 C ATOM 564 CD GLU A 105 22.687 -45.845 0.491 1.00 0.00 C ATOM 565 OE1 GLU A 105 21.911 -44.904 0.515 1.00 0.00 O ATOM 566 OE2 GLU A 105 23.618 -45.983 1.266 1.00 0.00 O ATOM 0 H GLU A 105 19.528 -46.372 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 105 22.075 -47.610 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 105 21.420 -45.549 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.376 -46.520 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 105 22.318 -47.882 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 105 23.380 -47.002 -1.190 1.00 0.00 H new ATOM 573 N GLU A 106 19.631 -49.184 -1.586 1.00 0.00 N ATOM 574 CA GLU A 106 19.256 -50.471 -1.013 1.00 0.00 C ATOM 575 C GLU A 106 19.438 -51.581 -2.040 1.00 0.00 C ATOM 576 O GLU A 106 19.905 -52.669 -1.716 1.00 0.00 O ATOM 577 CB GLU A 106 17.802 -50.429 -0.546 1.00 0.00 C ATOM 578 CG GLU A 106 17.691 -49.563 0.712 1.00 0.00 C ATOM 579 CD GLU A 106 16.225 -49.272 1.014 1.00 0.00 C ATOM 580 OE1 GLU A 106 15.401 -49.538 0.156 1.00 0.00 O ATOM 581 OE2 GLU A 106 15.950 -48.785 2.098 1.00 0.00 O ATOM 0 H GLU A 106 18.872 -48.505 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 106 19.901 -50.675 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 106 17.168 -50.025 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 106 17.447 -51.438 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 106 18.151 -50.074 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 106 18.234 -48.629 0.570 1.00 0.00 H new ATOM 588 N GLU A 107 19.075 -51.297 -3.285 1.00 0.00 N ATOM 589 CA GLU A 107 19.212 -52.286 -4.343 1.00 0.00 C ATOM 590 C GLU A 107 20.675 -52.674 -4.531 1.00 0.00 C ATOM 591 O GLU A 107 20.993 -53.842 -4.738 1.00 0.00 O ATOM 592 CB GLU A 107 18.657 -51.718 -5.647 1.00 0.00 C ATOM 593 CG GLU A 107 17.132 -51.637 -5.560 1.00 0.00 C ATOM 594 CD GLU A 107 16.592 -50.787 -6.706 1.00 0.00 C ATOM 595 OE1 GLU A 107 17.391 -50.147 -7.370 1.00 0.00 O ATOM 596 OE2 GLU A 107 15.388 -50.787 -6.900 1.00 0.00 O ATOM 0 H GLU A 107 18.688 -50.401 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 107 18.651 -53.178 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.074 -50.728 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.951 -52.349 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.703 -52.638 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.836 -51.205 -4.604 1.00 0.00 H new ATOM 603 N GLU A 108 21.561 -51.686 -4.459 1.00 0.00 N ATOM 604 CA GLU A 108 22.985 -51.945 -4.627 1.00 0.00 C ATOM 605 C GLU A 108 23.507 -52.860 -3.525 1.00 0.00 C ATOM 606 O GLU A 108 24.290 -53.774 -3.783 1.00 0.00 O ATOM 607 CB GLU A 108 23.757 -50.625 -4.602 1.00 0.00 C ATOM 608 CG GLU A 108 23.455 -49.835 -5.876 1.00 0.00 C ATOM 609 CD GLU A 108 24.054 -48.436 -5.778 1.00 0.00 C ATOM 610 OE1 GLU A 108 24.470 -48.067 -4.692 1.00 0.00 O ATOM 611 OE2 GLU A 108 24.084 -47.754 -6.788 1.00 0.00 O ATOM 0 H GLU A 108 21.321 -50.709 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 108 23.131 -52.440 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 108 23.475 -50.043 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 108 24.827 -50.818 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 108 23.865 -50.355 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 108 22.377 -49.768 -6.025 1.00 0.00 H new ATOM 618 N LEU A 109 23.069 -52.615 -2.296 1.00 0.00 N ATOM 619 CA LEU A 109 23.507 -53.430 -1.170 1.00 0.00 C ATOM 620 C LEU A 109 22.955 -54.845 -1.278 1.00 0.00 C ATOM 621 O LEU A 109 23.655 -55.822 -1.010 1.00 0.00 O ATOM 622 CB LEU A 109 23.042 -52.774 0.149 1.00 0.00 C ATOM 623 CG LEU A 109 24.152 -51.859 0.705 1.00 0.00 C ATOM 624 CD1 LEU A 109 25.362 -52.703 1.180 1.00 0.00 C ATOM 625 CD2 LEU A 109 24.585 -50.859 -0.391 1.00 0.00 C ATOM 0 H LEU A 109 22.418 -51.867 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 109 24.595 -53.492 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 109 22.135 -52.195 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 109 22.794 -53.544 0.880 1.00 0.00 H new ATOM 0 HG LEU A 109 23.768 -51.307 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 109 26.136 -52.042 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.042 -53.389 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.760 -53.273 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 109 25.370 -50.210 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.962 -51.407 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.729 -50.254 -0.690 1.00 0.00 H new ATOM 637 N LEU A 110 21.701 -54.953 -1.677 1.00 0.00 N ATOM 638 CA LEU A 110 21.082 -56.258 -1.817 1.00 0.00 C ATOM 639 C LEU A 110 21.759 -57.049 -2.929 1.00 0.00 C ATOM 640 O LEU A 110 21.980 -58.255 -2.803 1.00 0.00 O ATOM 641 CB LEU A 110 19.578 -56.084 -2.104 1.00 0.00 C ATOM 642 CG LEU A 110 18.763 -56.220 -0.800 1.00 0.00 C ATOM 643 CD1 LEU A 110 18.791 -57.684 -0.297 1.00 0.00 C ATOM 644 CD2 LEU A 110 19.337 -55.271 0.279 1.00 0.00 C ATOM 0 H LEU A 110 21.097 -54.164 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 110 21.201 -56.816 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.397 -55.107 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.250 -56.832 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 110 17.728 -55.944 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.212 -57.764 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.359 -58.338 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.821 -57.983 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.758 -55.371 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.377 -55.531 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.281 -54.242 -0.075 1.00 0.00 H new ATOM 656 N ARG A 111 22.081 -56.370 -4.013 1.00 0.00 N ATOM 657 CA ARG A 111 22.727 -57.028 -5.130 1.00 0.00 C ATOM 658 C ARG A 111 24.075 -57.593 -4.701 1.00 0.00 C ATOM 659 O ARG A 111 24.450 -58.696 -5.094 1.00 0.00 O ATOM 660 CB ARG A 111 22.916 -56.031 -6.272 1.00 0.00 C ATOM 661 CG ARG A 111 23.450 -56.763 -7.502 1.00 0.00 C ATOM 662 CD ARG A 111 23.725 -55.754 -8.616 1.00 0.00 C ATOM 663 NE ARG A 111 24.831 -54.882 -8.239 1.00 0.00 N ATOM 664 CZ ARG A 111 26.092 -55.285 -8.355 1.00 0.00 C ATOM 665 NH1 ARG A 111 26.355 -56.484 -8.800 1.00 0.00 N ATOM 666 NH2 ARG A 111 27.066 -54.487 -8.017 1.00 0.00 N ATOM 0 H ARG A 111 21.908 -55.373 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 111 22.098 -57.850 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 111 21.968 -55.546 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 111 23.610 -55.246 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 111 24.364 -57.301 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 111 22.726 -57.505 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 111 23.964 -56.278 -9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 111 22.832 -55.159 -8.808 1.00 0.00 H new ATOM 0 HE ARG A 111 24.634 -53.948 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.593 -57.111 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 111 27.323 -56.794 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 111 26.860 -53.553 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 111 28.034 -54.797 -8.106 1.00 0.00 H new ATOM 680 N LYS A 112 24.799 -56.825 -3.900 1.00 0.00 N ATOM 681 CA LYS A 112 26.105 -57.254 -3.429 1.00 0.00 C ATOM 682 C LYS A 112 25.986 -58.519 -2.585 1.00 0.00 C ATOM 683 O LYS A 112 26.791 -59.439 -2.714 1.00 0.00 O ATOM 684 CB LYS A 112 26.740 -56.144 -2.594 1.00 0.00 C ATOM 685 CG LYS A 112 28.200 -56.504 -2.290 1.00 0.00 C ATOM 686 CD LYS A 112 28.919 -55.318 -1.626 1.00 0.00 C ATOM 687 CE LYS A 112 28.594 -55.265 -0.129 1.00 0.00 C ATOM 688 NZ LYS A 112 29.198 -56.448 0.542 1.00 0.00 N ATOM 0 H LYS A 112 24.506 -55.907 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 112 26.731 -57.469 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 112 26.692 -55.197 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 112 26.186 -56.011 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 112 28.237 -57.373 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 112 28.713 -56.778 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 112 29.996 -55.412 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 112 28.615 -54.387 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 112 28.983 -54.345 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 112 27.514 -55.258 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 29.129 -56.335 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 28.689 -57.308 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 30.198 -56.529 0.268 1.00 0.00 H new ATOM 702 N ALA A 113 24.979 -58.558 -1.718 1.00 0.00 N ATOM 703 CA ALA A 113 24.777 -59.715 -0.852 1.00 0.00 C ATOM 704 C ALA A 113 24.547 -60.971 -1.683 1.00 0.00 C ATOM 705 O ALA A 113 25.065 -62.043 -1.365 1.00 0.00 O ATOM 706 CB ALA A 113 23.569 -59.477 0.055 1.00 0.00 C ATOM 0 H ALA A 113 24.296 -57.810 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 113 25.671 -59.853 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.422 -60.343 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 113 23.743 -58.593 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 113 22.680 -59.324 -0.556 1.00 0.00 H new ATOM 712 N ILE A 114 23.777 -60.836 -2.755 1.00 0.00 N ATOM 713 CA ILE A 114 23.500 -61.970 -3.624 1.00 0.00 C ATOM 714 C ILE A 114 24.795 -62.470 -4.266 1.00 0.00 C ATOM 715 O ILE A 114 25.051 -63.672 -4.330 1.00 0.00 O ATOM 716 CB ILE A 114 22.500 -61.563 -4.710 1.00 0.00 C ATOM 717 CG1 ILE A 114 21.138 -61.287 -4.066 1.00 0.00 C ATOM 718 CG2 ILE A 114 22.355 -62.697 -5.731 1.00 0.00 C ATOM 719 CD1 ILE A 114 20.219 -60.612 -5.087 1.00 0.00 C ATOM 0 H ILE A 114 23.337 -59.961 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 114 23.070 -62.775 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 114 22.860 -60.666 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 114 20.692 -62.219 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 114 21.260 -60.648 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 114 21.643 -62.404 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 114 23.323 -62.900 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 114 21.996 -63.595 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 114 19.249 -60.415 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 114 20.665 -59.672 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.088 -61.268 -5.948 1.00 0.00 H new ATOM 731 N ALA A 115 25.608 -61.537 -4.743 1.00 0.00 N ATOM 732 CA ALA A 115 26.867 -61.893 -5.387 1.00 0.00 C ATOM 733 C ALA A 115 27.772 -62.642 -4.417 1.00 0.00 C ATOM 734 O ALA A 115 28.453 -63.594 -4.797 1.00 0.00 O ATOM 735 CB ALA A 115 27.576 -60.634 -5.882 1.00 0.00 C ATOM 0 H ALA A 115 25.421 -60.535 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 115 26.648 -62.542 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 115 28.515 -60.910 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.940 -60.117 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 115 27.780 -59.975 -5.038 1.00 0.00 H new ATOM 741 N GLU A 116 27.773 -62.211 -3.163 1.00 0.00 N ATOM 742 CA GLU A 116 28.599 -62.855 -2.150 1.00 0.00 C ATOM 743 C GLU A 116 28.177 -64.307 -1.957 1.00 0.00 C ATOM 744 O GLU A 116 29.017 -65.186 -1.764 1.00 0.00 O ATOM 745 CB GLU A 116 28.477 -62.108 -0.822 1.00 0.00 C ATOM 746 CG GLU A 116 29.174 -60.752 -0.930 1.00 0.00 C ATOM 747 CD GLU A 116 28.951 -59.948 0.346 1.00 0.00 C ATOM 748 OE1 GLU A 116 28.138 -60.370 1.152 1.00 0.00 O ATOM 749 OE2 GLU A 116 29.593 -58.923 0.495 1.00 0.00 O ATOM 0 H GLU A 116 27.217 -61.426 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 116 29.635 -62.830 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 116 27.426 -61.969 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 116 28.925 -62.695 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 116 30.242 -60.895 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 116 28.787 -60.202 -1.788 1.00 0.00 H new ATOM 756 N SER A 117 26.876 -64.561 -2.007 1.00 0.00 N ATOM 757 CA SER A 117 26.379 -65.919 -1.828 1.00 0.00 C ATOM 758 C SER A 117 26.903 -66.827 -2.940 1.00 0.00 C ATOM 759 O SER A 117 27.331 -67.956 -2.690 1.00 0.00 O ATOM 760 CB SER A 117 24.850 -65.907 -1.858 1.00 0.00 C ATOM 761 OG SER A 117 24.361 -67.232 -1.701 1.00 0.00 O ATOM 0 H SER A 117 26.155 -63.857 -2.167 1.00 0.00 H new ATOM 0 HA SER A 117 26.727 -66.300 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 117 24.465 -65.270 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 117 24.498 -65.488 -2.800 1.00 0.00 H new ATOM 0 HG SER A 117 23.505 -67.323 -2.170 1.00 0.00 H new ATOM 767 N LEU A 118 26.895 -66.320 -4.165 1.00 0.00 N ATOM 768 CA LEU A 118 27.392 -67.103 -5.293 1.00 0.00 C ATOM 769 C LEU A 118 28.908 -67.251 -5.215 1.00 0.00 C ATOM 770 O LEU A 118 29.463 -68.278 -5.608 1.00 0.00 O ATOM 771 CB LEU A 118 26.986 -66.432 -6.614 1.00 0.00 C ATOM 772 CG LEU A 118 25.561 -66.869 -7.015 1.00 0.00 C ATOM 773 CD1 LEU A 118 25.540 -68.358 -7.432 1.00 0.00 C ATOM 774 CD2 LEU A 118 24.608 -66.644 -5.830 1.00 0.00 C ATOM 0 H LEU A 118 26.557 -65.388 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 118 26.950 -68.098 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 118 27.026 -65.348 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 118 27.692 -66.701 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 118 25.237 -66.272 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.526 -68.644 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.205 -68.507 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 118 25.874 -68.974 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 118 23.600 -66.952 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 118 24.943 -67.233 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 118 24.603 -65.587 -5.562 1.00 0.00 H new ATOM 786 N ASN A 119 29.573 -66.223 -4.711 1.00 0.00 N ATOM 787 CA ASN A 119 31.019 -66.263 -4.593 1.00 0.00 C ATOM 788 C ASN A 119 31.443 -67.290 -3.549 1.00 0.00 C ATOM 789 O ASN A 119 32.524 -67.870 -3.641 1.00 0.00 O ATOM 790 CB ASN A 119 31.538 -64.884 -4.197 1.00 0.00 C ATOM 791 CG ASN A 119 33.057 -64.851 -4.298 1.00 0.00 C ATOM 792 OD1 ASN A 119 33.719 -65.858 -4.047 1.00 0.00 O ATOM 793 ND2 ASN A 119 33.652 -63.747 -4.655 1.00 0.00 N ATOM 0 H ASN A 119 29.139 -65.361 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 119 31.441 -66.551 -5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 119 31.105 -64.123 -4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 119 31.228 -64.648 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 119 34.669 -63.716 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 119 33.100 -62.914 -4.862 1.00 0.00 H new ATOM 800 N SER A 120 30.580 -67.517 -2.559 1.00 0.00 N ATOM 801 CA SER A 120 30.878 -68.485 -1.506 1.00 0.00 C ATOM 802 C SER A 120 30.393 -69.874 -1.908 1.00 0.00 C ATOM 803 O SER A 120 30.802 -70.877 -1.322 1.00 0.00 O ATOM 804 CB SER A 120 30.193 -68.062 -0.207 1.00 0.00 C ATOM 805 OG SER A 120 28.784 -68.172 -0.359 1.00 0.00 O ATOM 0 H SER A 120 29.679 -67.049 -2.465 1.00 0.00 H new ATOM 0 HA SER A 120 31.957 -68.517 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 120 30.531 -68.691 0.617 1.00 0.00 H new ATOM 0 HB3 SER A 120 30.464 -67.036 0.043 1.00 0.00 H new ATOM 0 HG SER A 120 28.553 -68.130 -1.311 1.00 0.00 H new ATOM 811 N CYS A 121 29.524 -69.927 -2.918 1.00 0.00 N ATOM 812 CA CYS A 121 28.997 -71.203 -3.394 1.00 0.00 C ATOM 813 C CYS A 121 28.648 -72.108 -2.220 1.00 0.00 C ATOM 814 O CYS A 121 29.301 -73.126 -1.993 1.00 0.00 O ATOM 815 CB CYS A 121 30.031 -71.895 -4.284 1.00 0.00 C ATOM 816 SG CYS A 121 29.258 -73.292 -5.136 1.00 0.00 S ATOM 0 H CYS A 121 29.174 -69.109 -3.417 1.00 0.00 H new ATOM 0 HA CYS A 121 28.093 -71.009 -3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 121 30.431 -71.188 -5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 121 30.870 -72.242 -3.682 1.00 0.00 H new ATOM 0 HG CYS A 121 30.137 -73.878 -5.894 1.00 0.00 H new ATOM 822 N ARG A 122 27.623 -71.728 -1.471 1.00 0.00 N ATOM 823 CA ARG A 122 27.213 -72.517 -0.320 1.00 0.00 C ATOM 824 C ARG A 122 26.626 -73.862 -0.758 1.00 0.00 C ATOM 825 O ARG A 122 26.025 -73.960 -1.827 1.00 0.00 O ATOM 826 CB ARG A 122 26.179 -71.742 0.499 1.00 0.00 C ATOM 827 CG ARG A 122 26.866 -70.579 1.220 1.00 0.00 C ATOM 828 CD ARG A 122 25.827 -69.802 2.028 1.00 0.00 C ATOM 829 NE ARG A 122 24.910 -69.118 1.117 1.00 0.00 N ATOM 830 CZ ARG A 122 23.720 -69.629 0.794 1.00 0.00 C ATOM 831 NH1 ARG A 122 23.348 -70.790 1.261 1.00 0.00 N ATOM 832 NH2 ARG A 122 22.931 -68.972 -0.013 1.00 0.00 N ATOM 0 H ARG A 122 27.067 -70.889 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 122 28.093 -72.710 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 122 25.391 -71.365 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 122 25.704 -72.403 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 122 27.649 -70.956 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 122 27.348 -69.921 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 122 25.273 -70.481 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 122 26.322 -69.077 2.675 1.00 0.00 H new ATOM 0 HE ARG A 122 25.188 -68.222 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.969 -71.314 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.437 -71.173 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 122 23.225 -68.072 -0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 122 22.021 -69.358 -0.263 1.00 0.00 H new ATOM 846 N PRO A 123 26.790 -74.895 0.039 1.00 0.00 N ATOM 847 CA PRO A 123 26.260 -76.256 -0.288 1.00 0.00 C ATOM 848 C PRO A 123 24.732 -76.301 -0.264 1.00 0.00 C ATOM 849 O PRO A 123 24.089 -75.628 0.544 1.00 0.00 O ATOM 850 CB PRO A 123 26.865 -77.149 0.810 1.00 0.00 C ATOM 851 CG PRO A 123 27.113 -76.227 1.958 1.00 0.00 C ATOM 852 CD PRO A 123 27.499 -74.889 1.334 1.00 0.00 C ATOM 0 HA PRO A 123 26.528 -76.575 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 123 26.182 -77.952 1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 123 27.789 -77.619 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 123 26.223 -76.127 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 123 27.909 -76.605 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 123 27.188 -74.051 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 123 28.578 -74.805 1.201 1.00 0.00 H new ATOM 860 N SER A 124 24.160 -77.110 -1.150 1.00 0.00 N ATOM 861 CA SER A 124 22.711 -77.253 -1.220 1.00 0.00 C ATOM 862 C SER A 124 22.196 -78.052 -0.029 1.00 0.00 C ATOM 863 O SER A 124 22.862 -78.971 0.448 1.00 0.00 O ATOM 864 CB SER A 124 22.315 -77.956 -2.518 1.00 0.00 C ATOM 865 OG SER A 124 20.912 -78.186 -2.518 1.00 0.00 O ATOM 0 H SER A 124 24.675 -77.674 -1.826 1.00 0.00 H new ATOM 0 HA SER A 124 22.266 -76.258 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 124 22.595 -77.345 -3.376 1.00 0.00 H new ATOM 0 HB3 SER A 124 22.850 -78.901 -2.611 1.00 0.00 H new ATOM 0 HG SER A 124 20.654 -78.635 -3.350 1.00 0.00 H new ATOM 871 N ASP A 125 21.009 -77.698 0.449 1.00 0.00 N ATOM 872 CA ASP A 125 20.418 -78.395 1.586 1.00 0.00 C ATOM 873 C ASP A 125 19.827 -79.733 1.151 1.00 0.00 C ATOM 874 O ASP A 125 18.947 -79.783 0.292 1.00 0.00 O ATOM 875 CB ASP A 125 19.324 -77.529 2.210 1.00 0.00 C ATOM 876 CG ASP A 125 18.296 -77.150 1.149 1.00 0.00 C ATOM 877 OD1 ASP A 125 18.529 -77.454 -0.009 1.00 0.00 O ATOM 878 OD2 ASP A 125 17.289 -76.561 1.510 1.00 0.00 O ATOM 0 H ASP A 125 20.441 -76.940 0.072 1.00 0.00 H new ATOM 0 HA ASP A 125 21.200 -78.583 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 125 18.839 -78.070 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 125 19.762 -76.630 2.643 1.00 0.00 H new ATOM 883 N ALA A 126 20.313 -80.813 1.757 1.00 0.00 N ATOM 884 CA ALA A 126 19.822 -82.147 1.433 1.00 0.00 C ATOM 885 C ALA A 126 18.353 -82.288 1.816 1.00 0.00 C ATOM 886 O ALA A 126 17.587 -82.977 1.139 1.00 0.00 O ATOM 887 CB ALA A 126 20.648 -83.201 2.172 1.00 0.00 C ATOM 0 H ALA A 126 21.042 -80.790 2.470 1.00 0.00 H new ATOM 0 HA ALA A 126 19.919 -82.297 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 126 20.275 -84.195 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 126 21.693 -83.121 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 126 20.566 -83.040 3.247 1.00 0.00 H new ATOM 893 N SER A 127 17.968 -81.636 2.909 1.00 0.00 N ATOM 894 CA SER A 127 16.588 -81.699 3.381 1.00 0.00 C ATOM 895 C SER A 127 15.675 -80.861 2.492 1.00 0.00 C ATOM 896 O SER A 127 14.468 -81.095 2.433 1.00 0.00 O ATOM 897 CB SER A 127 16.504 -81.190 4.820 1.00 0.00 C ATOM 898 OG SER A 127 15.164 -81.312 5.279 1.00 0.00 O ATOM 0 H SER A 127 18.587 -81.062 3.481 1.00 0.00 H new ATOM 0 HA SER A 127 16.261 -82.738 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 127 17.175 -81.762 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 127 16.825 -80.150 4.870 1.00 0.00 H new ATOM 0 HG SER A 127 15.104 -80.989 6.202 1.00 0.00 H new ATOM 904 N ALA A 128 16.260 -79.882 1.807 1.00 0.00 N ATOM 905 CA ALA A 128 15.494 -79.003 0.925 1.00 0.00 C ATOM 906 C ALA A 128 14.771 -77.935 1.742 1.00 0.00 C ATOM 907 O ALA A 128 14.060 -77.094 1.191 1.00 0.00 O ATOM 908 CB ALA A 128 14.479 -79.822 0.107 1.00 0.00 C ATOM 0 H ALA A 128 17.258 -79.677 1.845 1.00 0.00 H new ATOM 0 HA ALA A 128 16.183 -78.512 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.915 -79.155 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 128 15.008 -80.559 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.794 -80.332 0.784 1.00 0.00 H new ATOM 914 N THR A 129 14.961 -77.975 3.057 1.00 0.00 N ATOM 915 CA THR A 129 14.326 -77.007 3.943 1.00 0.00 C ATOM 916 C THR A 129 15.132 -75.719 3.990 1.00 0.00 C ATOM 917 O THR A 129 16.324 -75.710 3.679 1.00 0.00 O ATOM 918 CB THR A 129 14.208 -77.586 5.352 1.00 0.00 C ATOM 919 OG1 THR A 129 15.507 -77.825 5.874 1.00 0.00 O ATOM 920 CG2 THR A 129 13.425 -78.897 5.300 1.00 0.00 C ATOM 0 H THR A 129 15.546 -78.663 3.530 1.00 0.00 H new ATOM 0 HA THR A 129 13.331 -76.788 3.556 1.00 0.00 H new ATOM 0 HB THR A 129 13.684 -76.879 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 129 15.433 -78.195 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 129 13.341 -79.310 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 129 12.429 -78.710 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 129 13.947 -79.607 4.658 1.00 0.00 H new ATOM 928 N ARG A 130 14.482 -74.632 4.388 1.00 0.00 N ATOM 929 CA ARG A 130 15.157 -73.340 4.474 1.00 0.00 C ATOM 930 C ARG A 130 15.816 -73.182 5.840 1.00 0.00 C ATOM 931 O ARG A 130 15.161 -73.309 6.874 1.00 0.00 O ATOM 932 CB ARG A 130 14.148 -72.207 4.261 1.00 0.00 C ATOM 933 CG ARG A 130 14.874 -70.861 4.076 1.00 0.00 C ATOM 934 CD ARG A 130 15.321 -70.688 2.618 1.00 0.00 C ATOM 935 NE ARG A 130 14.159 -70.702 1.743 1.00 0.00 N ATOM 936 CZ ARG A 130 14.294 -70.644 0.425 1.00 0.00 C ATOM 937 NH1 ARG A 130 15.483 -70.575 -0.103 1.00 0.00 N ATOM 938 NH2 ARG A 130 13.237 -70.660 -0.339 1.00 0.00 N ATOM 0 H ARG A 130 13.497 -74.617 4.654 1.00 0.00 H new ATOM 0 HA ARG A 130 15.922 -73.294 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 130 13.535 -72.419 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 130 13.474 -72.148 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 130 14.213 -70.042 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 130 15.740 -70.814 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 130 15.863 -69.750 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 130 16.007 -71.489 2.340 1.00 0.00 H new ATOM 0 HE ARG A 130 13.225 -70.757 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 130 16.308 -70.566 0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 130 15.589 -70.530 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 130 12.308 -70.717 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.340 -70.615 -1.353 1.00 0.00 H new ATOM 952 N SER A 131 17.113 -72.900 5.831 1.00 0.00 N ATOM 953 CA SER A 131 17.853 -72.724 7.074 1.00 0.00 C ATOM 954 C SER A 131 17.150 -71.714 7.976 1.00 0.00 C ATOM 955 O SER A 131 17.030 -70.570 7.571 1.00 0.00 O ATOM 956 CB SER A 131 19.272 -72.239 6.772 1.00 0.00 C ATOM 957 OG SER A 131 19.973 -72.052 7.994 1.00 0.00 O ATOM 958 OXT SER A 131 16.743 -72.100 9.059 1.00 0.00 O ATOM 0 H SER A 131 17.670 -72.789 4.984 1.00 0.00 H new ATOM 0 HA SER A 131 17.899 -73.684 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.792 -72.966 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 131 19.238 -71.305 6.212 1.00 0.00 H new ATOM 0 HG SER A 131 20.883 -71.743 7.805 1.00 0.00 H new TER 964 SER A 131