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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -124:sc= -0.531 (180deg=-2.31!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.0722 (180deg=-0.56) USER MOD Single : A 91 MET CE :methyl 174:sc= 0 (180deg=-0.0641) USER MOD Single : A 92 SER OG : rot 78:sc= 0.0544 USER MOD Single : A 94 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.9!) USER MOD Single : A 100 ASN : amide:sc= -1.2! C(o=-1.2!,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0436 K(o=-0.044,f=-1.4!) USER MOD Single : A 112 LYS NZ :NH3+ -145:sc= -0.345 (180deg=-1.01) USER MOD Single : A 117 SER OG : rot 73:sc= 0.183 USER MOD Single : A 119 ASN : amide:sc= -0.0425 K(o=-0.043,f=-0.96) USER MOD Single : A 120 SER OG : rot 80:sc= 0.209 USER MOD Single : A 121 CYS SG : rot 78:sc= 0.745 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 71:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -22.920 -8.933 -6.760 1.00 0.00 N ATOM 2 CA GLY A -4 -22.840 -10.373 -6.383 1.00 0.00 C ATOM 3 C GLY A -4 -22.118 -11.146 -7.482 1.00 0.00 C ATOM 4 O GLY A -4 -20.974 -11.572 -7.307 1.00 0.00 O ATOM 0 H1 GLY A -4 -22.493 -8.353 -6.009 1.00 0.00 H new ATOM 0 H2 GLY A -4 -22.407 -8.778 -7.651 1.00 0.00 H new ATOM 0 H3 GLY A -4 -23.916 -8.661 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -22.310 -10.484 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -23.841 -10.778 -6.236 1.00 0.00 H new ATOM 10 N PRO A -3 -22.762 -11.328 -8.605 1.00 0.00 N ATOM 11 CA PRO A -3 -22.171 -12.062 -9.762 1.00 0.00 C ATOM 12 C PRO A -3 -21.061 -11.263 -10.441 1.00 0.00 C ATOM 13 O PRO A -3 -21.088 -10.034 -10.457 1.00 0.00 O ATOM 14 CB PRO A -3 -23.366 -12.272 -10.705 1.00 0.00 C ATOM 15 CG PRO A -3 -24.315 -11.157 -10.380 1.00 0.00 C ATOM 16 CD PRO A -3 -24.126 -10.852 -8.891 1.00 0.00 C ATOM 0 HA PRO A -3 -21.696 -12.996 -9.461 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -23.056 -12.235 -11.749 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -23.830 -13.245 -10.544 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -24.103 -10.277 -10.987 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -25.344 -11.449 -10.590 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -24.229 -9.787 -8.685 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -24.866 -11.368 -8.280 1.00 0.00 H new ATOM 24 N LEU A -2 -20.096 -11.975 -11.011 1.00 0.00 N ATOM 25 CA LEU A -2 -18.987 -11.324 -11.697 1.00 0.00 C ATOM 26 C LEU A -2 -18.364 -10.257 -10.811 1.00 0.00 C ATOM 27 O LEU A -2 -18.428 -10.339 -9.584 1.00 0.00 O ATOM 28 CB LEU A -2 -19.482 -10.686 -12.999 1.00 0.00 C ATOM 29 CG LEU A -2 -20.270 -11.717 -13.809 1.00 0.00 C ATOM 30 CD1 LEU A -2 -20.797 -11.065 -15.089 1.00 0.00 C ATOM 31 CD2 LEU A -2 -19.354 -12.894 -14.175 1.00 0.00 C ATOM 0 H LEU A -2 -20.059 -12.994 -11.012 1.00 0.00 H new ATOM 0 HA LEU A -2 -18.232 -12.076 -11.925 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -20.112 -9.825 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -18.636 -10.321 -13.581 1.00 0.00 H new ATOM 0 HG LEU A -2 -21.107 -12.081 -13.214 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -21.359 -11.799 -15.667 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -21.449 -10.231 -14.830 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -19.959 -10.700 -15.683 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -19.917 -13.628 -14.752 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -18.515 -12.531 -14.769 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -18.979 -13.360 -13.264 1.00 0.00 H new ATOM 43 N GLY A -1 -17.760 -9.251 -11.437 1.00 0.00 N ATOM 44 CA GLY A -1 -17.125 -8.169 -10.691 1.00 0.00 C ATOM 45 C GLY A -1 -15.727 -8.570 -10.233 1.00 0.00 C ATOM 46 O GLY A -1 -15.049 -7.811 -9.542 1.00 0.00 O ATOM 0 H GLY A -1 -17.697 -9.162 -12.451 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -17.066 -7.278 -11.316 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -17.736 -7.912 -9.825 1.00 0.00 H new ATOM 50 N SER A 0 -15.304 -9.769 -10.621 1.00 0.00 N ATOM 51 CA SER A 0 -13.985 -10.260 -10.244 1.00 0.00 C ATOM 52 C SER A 0 -12.894 -9.389 -10.858 1.00 0.00 C ATOM 53 O SER A 0 -13.034 -8.899 -11.978 1.00 0.00 O ATOM 54 CB SER A 0 -13.810 -11.705 -10.714 1.00 0.00 C ATOM 55 OG SER A 0 -14.738 -12.537 -10.030 1.00 0.00 O ATOM 0 H SER A 0 -15.851 -10.413 -11.192 1.00 0.00 H new ATOM 0 HA SER A 0 -13.900 -10.219 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 0 -13.969 -11.771 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 0 -12.791 -12.042 -10.521 1.00 0.00 H new ATOM 0 HG SER A 0 -14.630 -13.464 -10.330 1.00 0.00 H new ATOM 61 N ARG A 74 -11.807 -9.199 -10.115 1.00 0.00 N ATOM 62 CA ARG A 74 -10.694 -8.387 -10.595 1.00 0.00 C ATOM 63 C ARG A 74 -9.931 -9.114 -11.695 1.00 0.00 C ATOM 64 O ARG A 74 -9.914 -10.343 -11.744 1.00 0.00 O ATOM 65 CB ARG A 74 -9.747 -8.061 -9.441 1.00 0.00 C ATOM 66 CG ARG A 74 -10.430 -7.092 -8.474 1.00 0.00 C ATOM 67 CD ARG A 74 -9.501 -6.813 -7.292 1.00 0.00 C ATOM 68 NE ARG A 74 -9.344 -8.013 -6.478 1.00 0.00 N ATOM 69 CZ ARG A 74 -8.446 -8.066 -5.499 1.00 0.00 C ATOM 70 NH1 ARG A 74 -7.687 -7.033 -5.252 1.00 0.00 N ATOM 71 NH2 ARG A 74 -8.324 -9.151 -4.784 1.00 0.00 N ATOM 0 H ARG A 74 -11.674 -9.594 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.098 -7.461 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.467 -8.975 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.828 -7.619 -9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.674 -6.161 -8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.369 -7.516 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.528 -6.482 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.907 -6.004 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.933 -8.825 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.783 -6.185 -5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.998 -7.074 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.917 -9.958 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.635 -9.192 -4.033 1.00 0.00 H new ATOM 85 N LYS A 75 -9.300 -8.348 -12.575 1.00 0.00 N ATOM 86 CA LYS A 75 -8.540 -8.932 -13.675 1.00 0.00 C ATOM 87 C LYS A 75 -7.323 -9.672 -13.143 1.00 0.00 C ATOM 88 O LYS A 75 -6.767 -9.311 -12.107 1.00 0.00 O ATOM 89 CB LYS A 75 -8.083 -7.828 -14.631 1.00 0.00 C ATOM 90 CG LYS A 75 -9.288 -7.010 -15.098 1.00 0.00 C ATOM 91 CD LYS A 75 -10.191 -7.873 -15.983 1.00 0.00 C ATOM 92 CE LYS A 75 -11.223 -6.991 -16.677 1.00 0.00 C ATOM 93 NZ LYS A 75 -12.100 -7.837 -17.535 1.00 0.00 N ATOM 0 H LYS A 75 -9.298 -7.328 -12.551 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.181 -9.636 -14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.363 -7.179 -14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.575 -8.266 -15.490 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.848 -6.647 -14.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.951 -6.134 -15.652 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.592 -8.401 -16.725 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.692 -8.630 -15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.822 -6.461 -15.936 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.723 -6.235 -17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.805 -7.237 -18.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.522 -8.323 -18.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.586 -8.542 -16.945 1.00 0.00 H new ATOM 107 N ILE A 76 -6.914 -10.720 -13.856 1.00 0.00 N ATOM 108 CA ILE A 76 -5.757 -11.513 -13.442 1.00 0.00 C ATOM 109 C ILE A 76 -4.482 -10.960 -14.064 1.00 0.00 C ATOM 110 O ILE A 76 -4.394 -10.796 -15.280 1.00 0.00 O ATOM 111 CB ILE A 76 -5.939 -12.973 -13.868 1.00 0.00 C ATOM 112 CG1 ILE A 76 -7.156 -13.564 -13.145 1.00 0.00 C ATOM 113 CG2 ILE A 76 -4.691 -13.774 -13.512 1.00 0.00 C ATOM 114 CD1 ILE A 76 -8.449 -12.915 -13.664 1.00 0.00 C ATOM 0 H ILE A 76 -7.362 -11.038 -14.716 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.676 -11.460 -12.356 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.097 -13.020 -14.946 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.193 -14.642 -13.302 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.065 -13.401 -12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.825 -14.812 -13.817 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.829 -13.353 -14.029 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.526 -13.731 -12.435 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.305 -13.343 -13.143 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.415 -11.841 -13.484 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.545 -13.101 -14.734 1.00 0.00 H new ATOM 126 N ALA A 77 -3.501 -10.666 -13.219 1.00 0.00 N ATOM 127 CA ALA A 77 -2.233 -10.129 -13.693 1.00 0.00 C ATOM 128 C ALA A 77 -1.382 -11.230 -14.316 1.00 0.00 C ATOM 129 O ALA A 77 -1.349 -12.357 -13.822 1.00 0.00 O ATOM 130 CB ALA A 77 -1.472 -9.483 -12.536 1.00 0.00 C ATOM 0 H ALA A 77 -3.559 -10.790 -12.208 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.442 -9.376 -14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.525 -9.084 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.068 -8.674 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.279 -10.230 -11.766 1.00 0.00 H new ATOM 136 N GLN A 78 -0.689 -10.896 -15.401 1.00 0.00 N ATOM 137 CA GLN A 78 0.164 -11.868 -16.079 1.00 0.00 C ATOM 138 C GLN A 78 1.526 -11.948 -15.398 1.00 0.00 C ATOM 139 O GLN A 78 2.104 -10.930 -15.018 1.00 0.00 O ATOM 140 CB GLN A 78 0.347 -11.467 -17.544 1.00 0.00 C ATOM 141 CG GLN A 78 -1.007 -11.502 -18.255 1.00 0.00 C ATOM 142 CD GLN A 78 -0.829 -11.169 -19.732 1.00 0.00 C ATOM 143 OE1 GLN A 78 -0.036 -11.810 -20.422 1.00 0.00 O ATOM 144 NE2 GLN A 78 -1.524 -10.200 -20.262 1.00 0.00 N ATOM 0 H GLN A 78 -0.700 -9.969 -15.827 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.315 -12.846 -16.027 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.777 -10.468 -17.608 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.045 -12.146 -18.034 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.458 -12.489 -18.148 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.689 -10.788 -17.792 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.180 -9.670 -19.688 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.411 -9.972 -21.250 1.00 0.00 H new ATOM 153 N MET A 79 2.035 -13.167 -15.248 1.00 0.00 N ATOM 154 CA MET A 79 3.331 -13.372 -14.610 1.00 0.00 C ATOM 155 C MET A 79 4.460 -12.957 -15.549 1.00 0.00 C ATOM 156 O MET A 79 4.346 -13.090 -16.767 1.00 0.00 O ATOM 157 CB MET A 79 3.498 -14.842 -14.225 1.00 0.00 C ATOM 158 CG MET A 79 2.453 -15.217 -13.173 1.00 0.00 C ATOM 159 SD MET A 79 2.629 -16.967 -12.743 1.00 0.00 S ATOM 160 CE MET A 79 1.361 -17.013 -11.454 1.00 0.00 C ATOM 0 H MET A 79 1.574 -14.023 -15.557 1.00 0.00 H new ATOM 0 HA MET A 79 3.375 -12.756 -13.712 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.386 -15.474 -15.106 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.501 -15.015 -13.834 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.578 -14.599 -12.284 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.451 -15.025 -13.556 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.298 -18.020 -11.042 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.622 -16.312 -10.661 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.398 -16.735 -11.881 1.00 0.00 H new ATOM 170 N THR A 80 5.547 -12.456 -14.974 1.00 0.00 N ATOM 171 CA THR A 80 6.688 -12.022 -15.772 1.00 0.00 C ATOM 172 C THR A 80 7.393 -13.223 -16.391 1.00 0.00 C ATOM 173 O THR A 80 7.247 -14.352 -15.922 1.00 0.00 O ATOM 174 CB THR A 80 7.674 -11.251 -14.892 1.00 0.00 C ATOM 175 OG1 THR A 80 8.172 -12.109 -13.873 1.00 0.00 O ATOM 176 CG2 THR A 80 6.968 -10.055 -14.254 1.00 0.00 C ATOM 0 H THR A 80 5.663 -12.341 -13.967 1.00 0.00 H new ATOM 0 HA THR A 80 6.326 -11.374 -16.570 1.00 0.00 H new ATOM 0 HB THR A 80 8.503 -10.895 -15.504 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.805 -11.616 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.673 -9.508 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.590 -9.396 -15.036 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.137 -10.407 -13.643 1.00 0.00 H new ATOM 184 N GLU A 81 8.159 -12.972 -17.450 1.00 0.00 N ATOM 185 CA GLU A 81 8.876 -14.046 -18.127 1.00 0.00 C ATOM 186 C GLU A 81 9.872 -14.703 -17.180 1.00 0.00 C ATOM 187 O GLU A 81 10.000 -15.927 -17.150 1.00 0.00 O ATOM 188 CB GLU A 81 9.626 -13.483 -19.339 1.00 0.00 C ATOM 189 CG GLU A 81 8.621 -13.090 -20.425 1.00 0.00 C ATOM 190 CD GLU A 81 9.342 -12.400 -21.579 1.00 0.00 C ATOM 191 OE1 GLU A 81 10.495 -12.040 -21.401 1.00 0.00 O ATOM 192 OE2 GLU A 81 8.733 -12.246 -22.624 1.00 0.00 O ATOM 0 H GLU A 81 8.298 -12.045 -17.853 1.00 0.00 H new ATOM 0 HA GLU A 81 8.153 -14.793 -18.455 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.216 -12.615 -19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.323 -14.226 -19.726 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.101 -13.976 -20.788 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.865 -12.425 -20.008 1.00 0.00 H new ATOM 199 N GLU A 82 10.568 -13.884 -16.399 1.00 0.00 N ATOM 200 CA GLU A 82 11.543 -14.403 -15.453 1.00 0.00 C ATOM 201 C GLU A 82 10.855 -15.254 -14.389 1.00 0.00 C ATOM 202 O GLU A 82 11.351 -16.318 -14.015 1.00 0.00 O ATOM 203 CB GLU A 82 12.292 -13.245 -14.782 1.00 0.00 C ATOM 204 CG GLU A 82 13.357 -13.795 -13.825 1.00 0.00 C ATOM 205 CD GLU A 82 14.395 -14.595 -14.607 1.00 0.00 C ATOM 206 OE1 GLU A 82 14.513 -14.367 -15.800 1.00 0.00 O ATOM 207 OE2 GLU A 82 15.046 -15.431 -14.004 1.00 0.00 O ATOM 0 H GLU A 82 10.475 -12.868 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 82 12.254 -15.026 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.761 -12.617 -15.539 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.590 -12.615 -14.235 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.841 -12.974 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.889 -14.429 -13.072 1.00 0.00 H new ATOM 214 N GLU A 83 9.725 -14.768 -13.891 1.00 0.00 N ATOM 215 CA GLU A 83 8.992 -15.487 -12.859 1.00 0.00 C ATOM 216 C GLU A 83 8.517 -16.835 -13.389 1.00 0.00 C ATOM 217 O GLU A 83 8.618 -17.853 -12.706 1.00 0.00 O ATOM 218 CB GLU A 83 7.784 -14.660 -12.401 1.00 0.00 C ATOM 219 CG GLU A 83 7.054 -15.386 -11.265 1.00 0.00 C ATOM 220 CD GLU A 83 7.976 -15.513 -10.057 1.00 0.00 C ATOM 221 OE1 GLU A 83 8.912 -14.736 -9.965 1.00 0.00 O ATOM 222 OE2 GLU A 83 7.741 -16.395 -9.248 1.00 0.00 O ATOM 0 H GLU A 83 9.300 -13.888 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 83 9.658 -15.653 -12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.112 -13.677 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.104 -14.500 -13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.153 -14.838 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.737 -16.374 -11.597 1.00 0.00 H new ATOM 229 N GLN A 84 7.995 -16.834 -14.611 1.00 0.00 N ATOM 230 CA GLN A 84 7.504 -18.065 -15.220 1.00 0.00 C ATOM 231 C GLN A 84 8.640 -19.072 -15.370 1.00 0.00 C ATOM 232 O GLN A 84 8.470 -20.261 -15.101 1.00 0.00 O ATOM 233 CB GLN A 84 6.902 -17.762 -16.593 1.00 0.00 C ATOM 234 CG GLN A 84 6.301 -19.040 -17.182 1.00 0.00 C ATOM 235 CD GLN A 84 5.545 -18.717 -18.466 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.598 -17.587 -18.953 1.00 0.00 O ATOM 237 NE2 GLN A 84 4.833 -19.646 -19.043 1.00 0.00 N ATOM 0 H GLN A 84 7.901 -16.003 -15.195 1.00 0.00 H new ATOM 0 HA GLN A 84 6.736 -18.491 -14.574 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.133 -16.994 -16.503 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.670 -17.368 -17.259 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.091 -19.762 -17.387 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.627 -19.501 -16.460 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.790 -20.581 -18.638 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.319 -19.437 -19.899 1.00 0.00 H new ATOM 246 N PHE A 85 9.801 -18.587 -15.799 1.00 0.00 N ATOM 247 CA PHE A 85 10.959 -19.453 -15.978 1.00 0.00 C ATOM 248 C PHE A 85 11.370 -20.073 -14.645 1.00 0.00 C ATOM 249 O PHE A 85 11.642 -21.268 -14.562 1.00 0.00 O ATOM 250 CB PHE A 85 12.127 -18.651 -16.554 1.00 0.00 C ATOM 251 CG PHE A 85 13.284 -19.581 -16.842 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.271 -20.370 -18.001 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.364 -19.657 -15.957 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.340 -21.230 -18.272 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.434 -20.518 -16.229 1.00 0.00 C ATOM 256 CZ PHE A 85 15.420 -21.306 -17.387 1.00 0.00 C ATOM 0 H PHE A 85 9.964 -17.606 -16.027 1.00 0.00 H new ATOM 0 HA PHE A 85 10.692 -20.251 -16.671 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.818 -18.144 -17.468 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.434 -17.878 -15.849 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.436 -20.314 -18.684 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.373 -19.051 -15.063 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.331 -21.836 -19.166 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.269 -20.575 -15.547 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.244 -21.972 -17.596 1.00 0.00 H new ATOM 266 N ALA A 86 11.422 -19.247 -13.604 1.00 0.00 N ATOM 267 CA ALA A 86 11.809 -19.724 -12.281 1.00 0.00 C ATOM 268 C ALA A 86 10.857 -20.816 -11.805 1.00 0.00 C ATOM 269 O ALA A 86 11.278 -21.793 -11.185 1.00 0.00 O ATOM 270 CB ALA A 86 11.797 -18.563 -11.283 1.00 0.00 C ATOM 0 H ALA A 86 11.203 -18.252 -13.650 1.00 0.00 H new ATOM 0 HA ALA A 86 12.815 -20.138 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.087 -18.927 -10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.501 -17.797 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.795 -18.137 -11.232 1.00 0.00 H new ATOM 276 N LEU A 87 9.575 -20.642 -12.098 1.00 0.00 N ATOM 277 CA LEU A 87 8.580 -21.619 -11.694 1.00 0.00 C ATOM 278 C LEU A 87 8.870 -22.977 -12.335 1.00 0.00 C ATOM 279 O LEU A 87 8.748 -24.021 -11.694 1.00 0.00 O ATOM 280 CB LEU A 87 7.180 -21.143 -12.109 1.00 0.00 C ATOM 281 CG LEU A 87 6.126 -22.169 -11.665 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.146 -22.300 -10.131 1.00 0.00 C ATOM 283 CD2 LEU A 87 4.744 -21.708 -12.121 1.00 0.00 C ATOM 0 H LEU A 87 9.205 -19.841 -12.609 1.00 0.00 H new ATOM 0 HA LEU A 87 8.621 -21.725 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.968 -20.173 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.137 -21.009 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 87 6.352 -23.137 -12.112 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.398 -23.028 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.133 -22.631 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.922 -21.333 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.996 -22.435 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.518 -20.739 -11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.730 -21.620 -13.207 1.00 0.00 H new ATOM 295 N ALA A 88 9.241 -22.952 -13.608 1.00 0.00 N ATOM 296 CA ALA A 88 9.537 -24.187 -14.330 1.00 0.00 C ATOM 297 C ALA A 88 10.698 -24.921 -13.668 1.00 0.00 C ATOM 298 O ALA A 88 10.691 -26.147 -13.557 1.00 0.00 O ATOM 299 CB ALA A 88 9.891 -23.870 -15.782 1.00 0.00 C ATOM 0 H ALA A 88 9.344 -22.100 -14.160 1.00 0.00 H new ATOM 0 HA ALA A 88 8.654 -24.825 -14.305 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.110 -24.796 -16.314 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.050 -23.368 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.765 -23.220 -15.810 1.00 0.00 H new ATOM 305 N LEU A 89 11.693 -24.165 -13.226 1.00 0.00 N ATOM 306 CA LEU A 89 12.852 -24.758 -12.569 1.00 0.00 C ATOM 307 C LEU A 89 12.441 -25.452 -11.279 1.00 0.00 C ATOM 308 O LEU A 89 13.005 -26.485 -10.918 1.00 0.00 O ATOM 309 CB LEU A 89 13.906 -23.668 -12.277 1.00 0.00 C ATOM 310 CG LEU A 89 14.889 -23.559 -13.445 1.00 0.00 C ATOM 311 CD1 LEU A 89 14.160 -23.049 -14.689 1.00 0.00 C ATOM 312 CD2 LEU A 89 16.010 -22.592 -13.074 1.00 0.00 C ATOM 0 H LEU A 89 11.723 -23.149 -13.309 1.00 0.00 H new ATOM 0 HA LEU A 89 13.286 -25.504 -13.235 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.413 -22.709 -12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.444 -23.908 -11.360 1.00 0.00 H new ATOM 0 HG LEU A 89 15.311 -24.542 -13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.864 -22.973 -15.518 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.362 -23.743 -14.953 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.734 -22.067 -14.484 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.712 -22.513 -13.904 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.588 -21.610 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.532 -22.962 -12.192 1.00 0.00 H new ATOM 324 N LYS A 90 11.483 -24.861 -10.576 1.00 0.00 N ATOM 325 CA LYS A 90 11.025 -25.431 -9.314 1.00 0.00 C ATOM 326 C LYS A 90 10.405 -26.802 -9.543 1.00 0.00 C ATOM 327 O LYS A 90 10.657 -27.740 -8.788 1.00 0.00 O ATOM 328 CB LYS A 90 9.991 -24.505 -8.675 1.00 0.00 C ATOM 329 CG LYS A 90 10.676 -23.230 -8.183 1.00 0.00 C ATOM 330 CD LYS A 90 9.649 -22.331 -7.493 1.00 0.00 C ATOM 331 CE LYS A 90 10.313 -21.012 -7.093 1.00 0.00 C ATOM 332 NZ LYS A 90 11.454 -21.288 -6.175 1.00 0.00 N ATOM 0 H LYS A 90 11.013 -23.999 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 90 11.882 -25.538 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.215 -24.256 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.501 -25.010 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.479 -23.481 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.131 -22.703 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.810 -22.140 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.247 -22.830 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.665 -20.486 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.588 -20.361 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.454 -20.592 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.357 -22.245 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.348 -21.221 -6.702 1.00 0.00 H new ATOM 346 N MET A 91 9.619 -26.922 -10.607 1.00 0.00 N ATOM 347 CA MET A 91 8.988 -28.198 -10.938 1.00 0.00 C ATOM 348 C MET A 91 10.041 -29.237 -11.314 1.00 0.00 C ATOM 349 O MET A 91 9.940 -30.405 -10.935 1.00 0.00 O ATOM 350 CB MET A 91 8.004 -28.010 -12.097 1.00 0.00 C ATOM 351 CG MET A 91 6.711 -27.380 -11.577 1.00 0.00 C ATOM 352 SD MET A 91 7.093 -25.874 -10.650 1.00 0.00 S ATOM 353 CE MET A 91 5.660 -25.910 -9.552 1.00 0.00 C ATOM 0 H MET A 91 9.404 -26.161 -11.251 1.00 0.00 H new ATOM 0 HA MET A 91 8.447 -28.554 -10.061 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.447 -27.374 -12.864 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.790 -28.971 -12.564 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.048 -27.147 -12.410 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.182 -28.087 -10.938 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.749 -25.115 -8.812 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.751 -25.763 -10.135 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.614 -26.874 -9.045 1.00 0.00 H new ATOM 363 N SER A 92 11.044 -28.804 -12.068 1.00 0.00 N ATOM 364 CA SER A 92 12.113 -29.697 -12.490 1.00 0.00 C ATOM 365 C SER A 92 12.916 -30.174 -11.286 1.00 0.00 C ATOM 366 O SER A 92 13.365 -31.318 -11.241 1.00 0.00 O ATOM 367 CB SER A 92 13.032 -28.987 -13.483 1.00 0.00 C ATOM 368 OG SER A 92 12.307 -28.702 -14.672 1.00 0.00 O ATOM 0 H SER A 92 11.138 -27.844 -12.398 1.00 0.00 H new ATOM 0 HA SER A 92 11.667 -30.564 -12.977 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.415 -28.064 -13.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.894 -29.614 -13.710 1.00 0.00 H new ATOM 0 HG SER A 92 11.731 -27.923 -14.525 1.00 0.00 H new ATOM 374 N GLU A 93 13.121 -29.278 -10.327 1.00 0.00 N ATOM 375 CA GLU A 93 13.900 -29.617 -9.143 1.00 0.00 C ATOM 376 C GLU A 93 13.229 -30.744 -8.372 1.00 0.00 C ATOM 377 O GLU A 93 13.889 -31.692 -7.945 1.00 0.00 O ATOM 378 CB GLU A 93 14.025 -28.385 -8.236 1.00 0.00 C ATOM 379 CG GLU A 93 14.893 -28.722 -7.018 1.00 0.00 C ATOM 380 CD GLU A 93 16.312 -29.044 -7.469 1.00 0.00 C ATOM 381 OE1 GLU A 93 16.666 -28.661 -8.573 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.027 -29.673 -6.706 1.00 0.00 O ATOM 0 H GLU A 93 12.763 -28.323 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 93 14.891 -29.943 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.467 -27.557 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.037 -28.060 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.904 -27.882 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.470 -29.572 -6.482 1.00 0.00 H new ATOM 389 N GLN A 94 11.915 -30.650 -8.204 1.00 0.00 N ATOM 390 CA GLN A 94 11.173 -31.685 -7.490 1.00 0.00 C ATOM 391 C GLN A 94 11.248 -33.010 -8.244 1.00 0.00 C ATOM 392 O GLN A 94 11.457 -34.063 -7.642 1.00 0.00 O ATOM 393 CB GLN A 94 9.706 -31.251 -7.327 1.00 0.00 C ATOM 394 CG GLN A 94 9.540 -30.474 -6.019 1.00 0.00 C ATOM 395 CD GLN A 94 10.464 -29.263 -6.004 1.00 0.00 C ATOM 396 OE1 GLN A 94 10.125 -28.217 -6.551 1.00 0.00 O ATOM 397 NE2 GLN A 94 11.631 -29.351 -5.425 1.00 0.00 N ATOM 0 H GLN A 94 11.345 -29.877 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 94 11.618 -31.823 -6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.405 -30.630 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.056 -32.126 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.505 -30.152 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.764 -31.122 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.911 -30.221 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.263 -28.550 -5.427 1.00 0.00 H new ATOM 406 N GLU A 95 11.072 -32.946 -9.557 1.00 0.00 N ATOM 407 CA GLU A 95 11.124 -34.145 -10.386 1.00 0.00 C ATOM 408 C GLU A 95 12.545 -34.689 -10.442 1.00 0.00 C ATOM 409 O GLU A 95 12.757 -35.899 -10.477 1.00 0.00 O ATOM 410 CB GLU A 95 10.629 -33.831 -11.798 1.00 0.00 C ATOM 411 CG GLU A 95 9.148 -33.449 -11.750 1.00 0.00 C ATOM 412 CD GLU A 95 8.312 -34.655 -11.333 1.00 0.00 C ATOM 413 OE1 GLU A 95 8.799 -35.765 -11.468 1.00 0.00 O ATOM 414 OE2 GLU A 95 7.199 -34.450 -10.878 1.00 0.00 O ATOM 0 H GLU A 95 10.893 -32.083 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 95 10.476 -34.902 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.212 -33.015 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.771 -34.697 -12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.998 -32.631 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.824 -33.092 -12.728 1.00 0.00 H new ATOM 421 N ALA A 96 13.518 -33.784 -10.457 1.00 0.00 N ATOM 422 CA ALA A 96 14.921 -34.176 -10.516 1.00 0.00 C ATOM 423 C ALA A 96 15.298 -34.988 -9.281 1.00 0.00 C ATOM 424 O ALA A 96 16.130 -35.886 -9.349 1.00 0.00 O ATOM 425 CB ALA A 96 15.810 -32.936 -10.610 1.00 0.00 C ATOM 0 H ALA A 96 13.361 -32.777 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 96 15.071 -34.792 -11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.856 -33.240 -10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.558 -32.375 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.651 -32.307 -9.734 1.00 0.00 H new ATOM 431 N ARG A 97 14.684 -34.661 -8.153 1.00 0.00 N ATOM 432 CA ARG A 97 14.971 -35.368 -6.910 1.00 0.00 C ATOM 433 C ARG A 97 14.586 -36.833 -7.018 1.00 0.00 C ATOM 434 O ARG A 97 15.159 -37.685 -6.339 1.00 0.00 O ATOM 435 CB ARG A 97 14.194 -34.718 -5.759 1.00 0.00 C ATOM 436 CG ARG A 97 14.809 -33.352 -5.416 1.00 0.00 C ATOM 437 CD ARG A 97 16.010 -33.546 -4.483 1.00 0.00 C ATOM 438 NE ARG A 97 16.576 -32.256 -4.119 1.00 0.00 N ATOM 439 CZ ARG A 97 17.484 -31.662 -4.888 1.00 0.00 C ATOM 440 NH1 ARG A 97 17.879 -32.236 -5.991 1.00 0.00 N ATOM 441 NH2 ARG A 97 17.978 -30.509 -4.538 1.00 0.00 N ATOM 0 H ARG A 97 13.990 -33.918 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 97 16.042 -35.305 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.148 -34.595 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.215 -35.366 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.123 -32.844 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.064 -32.716 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.700 -34.082 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.767 -34.158 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 97 16.271 -31.799 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.491 -33.139 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.575 -31.781 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.668 -30.062 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.674 -30.053 -5.127 1.00 0.00 H new ATOM 455 N GLU A 98 13.627 -37.124 -7.886 1.00 0.00 N ATOM 456 CA GLU A 98 13.184 -38.496 -8.089 1.00 0.00 C ATOM 457 C GLU A 98 14.118 -39.234 -9.042 1.00 0.00 C ATOM 458 O GLU A 98 14.068 -40.455 -9.161 1.00 0.00 O ATOM 459 CB GLU A 98 11.763 -38.512 -8.651 1.00 0.00 C ATOM 460 CG GLU A 98 10.792 -37.950 -7.610 1.00 0.00 C ATOM 461 CD GLU A 98 9.373 -37.944 -8.169 1.00 0.00 C ATOM 462 OE1 GLU A 98 9.208 -38.323 -9.317 1.00 0.00 O ATOM 463 OE2 GLU A 98 8.473 -37.556 -7.443 1.00 0.00 O ATOM 0 H GLU A 98 13.143 -36.432 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 98 13.199 -39.003 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.716 -37.919 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.478 -39.530 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.831 -38.552 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.087 -36.938 -7.335 1.00 0.00 H new ATOM 470 N VAL A 99 14.961 -38.477 -9.720 1.00 0.00 N ATOM 471 CA VAL A 99 15.915 -39.051 -10.671 1.00 0.00 C ATOM 472 C VAL A 99 17.159 -39.562 -9.952 1.00 0.00 C ATOM 473 O VAL A 99 17.607 -38.969 -8.974 1.00 0.00 O ATOM 474 CB VAL A 99 16.313 -38.015 -11.722 1.00 0.00 C ATOM 475 CG1 VAL A 99 17.396 -38.599 -12.634 1.00 0.00 C ATOM 476 CG2 VAL A 99 15.089 -37.641 -12.559 1.00 0.00 C ATOM 0 H VAL A 99 15.010 -37.462 -9.635 1.00 0.00 H new ATOM 0 HA VAL A 99 15.429 -39.891 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 99 16.699 -37.125 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.679 -37.859 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 99 18.269 -38.864 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 99 17.012 -39.490 -13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.373 -36.902 -13.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.702 -38.531 -13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.319 -37.223 -11.911 1.00 0.00 H new ATOM 486 N ASN A 100 17.715 -40.664 -10.449 1.00 0.00 N ATOM 487 CA ASN A 100 18.909 -41.245 -9.844 1.00 0.00 C ATOM 488 C ASN A 100 20.013 -40.199 -9.738 1.00 0.00 C ATOM 489 O ASN A 100 20.050 -39.242 -10.508 1.00 0.00 O ATOM 490 CB ASN A 100 19.405 -42.419 -10.691 1.00 0.00 C ATOM 491 CG ASN A 100 20.445 -43.216 -9.913 1.00 0.00 C ATOM 492 OD1 ASN A 100 20.880 -42.793 -8.842 1.00 0.00 O ATOM 493 ND2 ASN A 100 20.871 -44.353 -10.390 1.00 0.00 N ATOM 0 H ASN A 100 17.361 -41.168 -11.262 1.00 0.00 H new ATOM 0 HA ASN A 100 18.653 -41.598 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.568 -43.063 -10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.837 -42.051 -11.621 1.00 0.00 H new ATOM 0 HD21 ASN A 100 21.566 -44.894 -9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 100 20.509 -44.701 -11.278 1.00 0.00 H new ATOM 500 N SER A 101 20.898 -40.372 -8.762 1.00 0.00 N ATOM 501 CA SER A 101 21.983 -39.422 -8.554 1.00 0.00 C ATOM 502 C SER A 101 22.876 -39.345 -9.786 1.00 0.00 C ATOM 503 O SER A 101 23.232 -38.256 -10.235 1.00 0.00 O ATOM 504 CB SER A 101 22.824 -39.853 -7.351 1.00 0.00 C ATOM 505 OG SER A 101 23.880 -38.920 -7.154 1.00 0.00 O ATOM 0 H SER A 101 20.886 -41.155 -8.108 1.00 0.00 H new ATOM 0 HA SER A 101 21.548 -38.440 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 101 22.201 -39.907 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.231 -40.850 -7.517 1.00 0.00 H new ATOM 0 HG SER A 101 24.419 -39.194 -6.383 1.00 0.00 H new ATOM 511 N GLN A 102 23.230 -40.505 -10.334 1.00 0.00 N ATOM 512 CA GLN A 102 24.081 -40.544 -11.519 1.00 0.00 C ATOM 513 C GLN A 102 23.358 -39.958 -12.731 1.00 0.00 C ATOM 514 O GLN A 102 23.939 -39.186 -13.503 1.00 0.00 O ATOM 515 CB GLN A 102 24.477 -41.993 -11.817 1.00 0.00 C ATOM 516 CG GLN A 102 25.444 -42.490 -10.742 1.00 0.00 C ATOM 517 CD GLN A 102 25.668 -43.991 -10.893 1.00 0.00 C ATOM 518 OE1 GLN A 102 24.772 -44.711 -11.338 1.00 0.00 O ATOM 519 NE2 GLN A 102 26.815 -44.511 -10.551 1.00 0.00 N ATOM 0 H GLN A 102 22.945 -41.419 -9.982 1.00 0.00 H new ATOM 0 HA GLN A 102 24.971 -39.946 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 102 23.590 -42.625 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.944 -42.059 -12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 102 26.394 -41.962 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 102 25.043 -42.272 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 102 27.556 -43.914 -10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 102 26.971 -45.514 -10.652 1.00 0.00 H new ATOM 528 N GLU A 103 22.085 -40.309 -12.877 1.00 0.00 N ATOM 529 CA GLU A 103 21.291 -39.807 -13.987 1.00 0.00 C ATOM 530 C GLU A 103 21.006 -38.318 -13.809 1.00 0.00 C ATOM 531 O GLU A 103 21.018 -37.555 -14.775 1.00 0.00 O ATOM 532 CB GLU A 103 19.977 -40.585 -14.092 1.00 0.00 C ATOM 533 CG GLU A 103 19.193 -40.121 -15.325 1.00 0.00 C ATOM 534 CD GLU A 103 19.982 -40.440 -16.591 1.00 0.00 C ATOM 535 OE1 GLU A 103 20.829 -41.317 -16.533 1.00 0.00 O ATOM 536 OE2 GLU A 103 19.740 -39.791 -17.596 1.00 0.00 O ATOM 0 H GLU A 103 21.586 -40.935 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 103 21.858 -39.945 -14.908 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.181 -41.653 -14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.381 -40.432 -13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 103 18.222 -40.615 -15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.003 -39.049 -15.264 1.00 0.00 H new ATOM 543 N GLU A 104 20.727 -37.921 -12.576 1.00 0.00 N ATOM 544 CA GLU A 104 20.424 -36.528 -12.283 1.00 0.00 C ATOM 545 C GLU A 104 21.627 -35.650 -12.600 1.00 0.00 C ATOM 546 O GLU A 104 21.482 -34.558 -13.146 1.00 0.00 O ATOM 547 CB GLU A 104 20.048 -36.373 -10.805 1.00 0.00 C ATOM 548 CG GLU A 104 19.645 -34.922 -10.528 1.00 0.00 C ATOM 549 CD GLU A 104 19.198 -34.774 -9.079 1.00 0.00 C ATOM 550 OE1 GLU A 104 19.207 -35.767 -8.371 1.00 0.00 O ATOM 551 OE2 GLU A 104 18.851 -33.668 -8.698 1.00 0.00 O ATOM 0 H GLU A 104 20.704 -38.540 -11.766 1.00 0.00 H new ATOM 0 HA GLU A 104 19.583 -36.216 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.225 -37.044 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.891 -36.654 -10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.486 -34.258 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.838 -34.625 -11.198 1.00 0.00 H new ATOM 558 N GLU A 105 22.815 -36.131 -12.250 1.00 0.00 N ATOM 559 CA GLU A 105 24.033 -35.370 -12.499 1.00 0.00 C ATOM 560 C GLU A 105 24.218 -35.146 -13.995 1.00 0.00 C ATOM 561 O GLU A 105 24.531 -34.040 -14.430 1.00 0.00 O ATOM 562 CB GLU A 105 25.242 -36.127 -11.940 1.00 0.00 C ATOM 563 CG GLU A 105 26.517 -35.303 -12.154 1.00 0.00 C ATOM 564 CD GLU A 105 26.433 -34.004 -11.360 1.00 0.00 C ATOM 565 OE1 GLU A 105 25.636 -33.947 -10.436 1.00 0.00 O ATOM 566 OE2 GLU A 105 27.163 -33.085 -11.687 1.00 0.00 O ATOM 0 H GLU A 105 22.960 -37.034 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 105 23.950 -34.403 -12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 105 25.100 -36.324 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 105 25.336 -37.094 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 105 27.389 -35.877 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 105 26.646 -35.084 -13.214 1.00 0.00 H new ATOM 573 N GLU A 106 24.021 -36.201 -14.778 1.00 0.00 N ATOM 574 CA GLU A 106 24.162 -36.100 -16.228 1.00 0.00 C ATOM 575 C GLU A 106 23.111 -35.154 -16.800 1.00 0.00 C ATOM 576 O GLU A 106 23.389 -34.374 -17.710 1.00 0.00 O ATOM 577 CB GLU A 106 24.023 -37.483 -16.863 1.00 0.00 C ATOM 578 CG GLU A 106 24.220 -37.373 -18.377 1.00 0.00 C ATOM 579 CD GLU A 106 24.232 -38.763 -19.002 1.00 0.00 C ATOM 580 OE1 GLU A 106 24.279 -39.726 -18.256 1.00 0.00 O ATOM 581 OE2 GLU A 106 24.187 -38.843 -20.219 1.00 0.00 O ATOM 0 H GLU A 106 23.766 -37.128 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 106 25.150 -35.701 -16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.760 -38.165 -16.439 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.040 -37.899 -16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 106 23.420 -36.775 -18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.157 -36.859 -18.594 1.00 0.00 H new ATOM 588 N GLU A 107 21.895 -35.243 -16.270 1.00 0.00 N ATOM 589 CA GLU A 107 20.804 -34.395 -16.736 1.00 0.00 C ATOM 590 C GLU A 107 21.112 -32.928 -16.463 1.00 0.00 C ATOM 591 O GLU A 107 20.847 -32.062 -17.294 1.00 0.00 O ATOM 592 CB GLU A 107 19.500 -34.789 -16.040 1.00 0.00 C ATOM 593 CG GLU A 107 18.349 -33.947 -16.597 1.00 0.00 C ATOM 594 CD GLU A 107 17.031 -34.387 -15.972 1.00 0.00 C ATOM 595 OE1 GLU A 107 17.056 -35.315 -15.181 1.00 0.00 O ATOM 596 OE2 GLU A 107 16.018 -33.789 -16.289 1.00 0.00 O ATOM 0 H GLU A 107 21.642 -35.889 -15.523 1.00 0.00 H new ATOM 0 HA GLU A 107 20.694 -34.535 -17.811 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.298 -35.849 -16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.589 -34.636 -14.964 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.525 -32.892 -16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.301 -34.054 -17.681 1.00 0.00 H new ATOM 603 N GLU A 108 21.667 -32.653 -15.289 1.00 0.00 N ATOM 604 CA GLU A 108 22.002 -31.283 -14.916 1.00 0.00 C ATOM 605 C GLU A 108 23.034 -30.699 -15.873 1.00 0.00 C ATOM 606 O GLU A 108 22.931 -29.540 -16.271 1.00 0.00 O ATOM 607 CB GLU A 108 22.557 -31.255 -13.487 1.00 0.00 C ATOM 608 CG GLU A 108 21.421 -31.466 -12.485 1.00 0.00 C ATOM 609 CD GLU A 108 20.510 -30.242 -12.466 1.00 0.00 C ATOM 610 OE1 GLU A 108 21.035 -29.141 -12.424 1.00 0.00 O ATOM 611 OE2 GLU A 108 19.304 -30.422 -12.494 1.00 0.00 O ATOM 0 H GLU A 108 21.893 -33.354 -14.583 1.00 0.00 H new ATOM 0 HA GLU A 108 21.095 -30.681 -14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 108 23.311 -32.033 -13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 108 23.049 -30.301 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.847 -32.353 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.830 -31.641 -11.490 1.00 0.00 H new ATOM 618 N LEU A 109 24.013 -31.513 -16.246 1.00 0.00 N ATOM 619 CA LEU A 109 25.055 -31.067 -17.163 1.00 0.00 C ATOM 620 C LEU A 109 24.455 -30.718 -18.520 1.00 0.00 C ATOM 621 O LEU A 109 24.860 -29.754 -19.165 1.00 0.00 O ATOM 622 CB LEU A 109 26.105 -32.163 -17.329 1.00 0.00 C ATOM 623 CG LEU A 109 26.846 -32.369 -16.002 1.00 0.00 C ATOM 624 CD1 LEU A 109 27.746 -33.602 -16.106 1.00 0.00 C ATOM 625 CD2 LEU A 109 27.703 -31.131 -15.676 1.00 0.00 C ATOM 0 H LEU A 109 24.108 -32.478 -15.931 1.00 0.00 H new ATOM 0 HA LEU A 109 25.527 -30.176 -16.748 1.00 0.00 H new ATOM 0 HB2 LEU A 109 25.629 -33.093 -17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 109 26.811 -31.889 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 109 26.116 -32.515 -15.206 1.00 0.00 H new ATOM 0 HD11 LEU A 109 28.273 -33.749 -15.163 1.00 0.00 H new ATOM 0 HD12 LEU A 109 27.137 -34.480 -16.322 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.470 -33.457 -16.907 1.00 0.00 H new ATOM 0 HD21 LEU A 109 28.225 -31.288 -14.732 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.431 -30.973 -16.471 1.00 0.00 H new ATOM 0 HD23 LEU A 109 27.060 -30.255 -15.594 1.00 0.00 H new ATOM 637 N LEU A 110 23.500 -31.518 -18.958 1.00 0.00 N ATOM 638 CA LEU A 110 22.841 -31.278 -20.233 1.00 0.00 C ATOM 639 C LEU A 110 21.869 -30.112 -20.126 1.00 0.00 C ATOM 640 O LEU A 110 21.692 -29.346 -21.076 1.00 0.00 O ATOM 641 CB LEU A 110 22.097 -32.538 -20.682 1.00 0.00 C ATOM 642 CG LEU A 110 23.106 -33.665 -20.925 1.00 0.00 C ATOM 643 CD1 LEU A 110 22.359 -34.981 -21.148 1.00 0.00 C ATOM 644 CD2 LEU A 110 23.965 -33.345 -22.165 1.00 0.00 C ATOM 0 H LEU A 110 23.163 -32.338 -18.453 1.00 0.00 H new ATOM 0 HA LEU A 110 23.602 -31.027 -20.972 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.376 -32.838 -19.922 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.534 -32.336 -21.593 1.00 0.00 H new ATOM 0 HG LEU A 110 23.755 -33.756 -20.054 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.077 -35.782 -21.321 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.761 -35.214 -20.267 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.706 -34.886 -22.015 1.00 0.00 H new ATOM 0 HD21 LEU A 110 24.680 -34.151 -22.331 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.320 -33.246 -23.038 1.00 0.00 H new ATOM 0 HD23 LEU A 110 24.503 -32.411 -22.004 1.00 0.00 H new ATOM 656 N ARG A 111 21.197 -30.013 -18.981 1.00 0.00 N ATOM 657 CA ARG A 111 20.210 -28.958 -18.783 1.00 0.00 C ATOM 658 C ARG A 111 20.860 -27.581 -18.843 1.00 0.00 C ATOM 659 O ARG A 111 20.353 -26.664 -19.500 1.00 0.00 O ATOM 660 CB ARG A 111 19.534 -29.139 -17.417 1.00 0.00 C ATOM 661 CG ARG A 111 18.367 -28.156 -17.288 1.00 0.00 C ATOM 662 CD ARG A 111 17.781 -28.240 -15.877 1.00 0.00 C ATOM 663 NE ARG A 111 18.741 -27.735 -14.903 1.00 0.00 N ATOM 664 CZ ARG A 111 18.508 -27.825 -13.597 1.00 0.00 C ATOM 665 NH1 ARG A 111 17.404 -28.373 -13.169 1.00 0.00 N ATOM 666 NH2 ARG A 111 19.383 -27.367 -12.744 1.00 0.00 N ATOM 0 H ARG A 111 21.316 -30.642 -18.187 1.00 0.00 H new ATOM 0 HA ARG A 111 19.470 -29.027 -19.581 1.00 0.00 H new ATOM 0 HB2 ARG A 111 19.174 -30.162 -17.311 1.00 0.00 H new ATOM 0 HB3 ARG A 111 20.255 -28.970 -16.618 1.00 0.00 H new ATOM 0 HG2 ARG A 111 18.709 -27.141 -17.491 1.00 0.00 H new ATOM 0 HG3 ARG A 111 17.599 -28.388 -18.026 1.00 0.00 H new ATOM 0 HD2 ARG A 111 16.859 -27.662 -15.823 1.00 0.00 H new ATOM 0 HD3 ARG A 111 17.524 -29.273 -15.643 1.00 0.00 H new ATOM 0 HE ARG A 111 19.607 -27.305 -15.229 1.00 0.00 H new ATOM 0 HH11 ARG A 111 16.721 -28.732 -13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 111 17.224 -28.443 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 111 20.246 -26.940 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 111 19.203 -27.436 -11.742 1.00 0.00 H new ATOM 680 N LYS A 112 21.999 -27.442 -18.172 1.00 0.00 N ATOM 681 CA LYS A 112 22.715 -26.176 -18.166 1.00 0.00 C ATOM 682 C LYS A 112 23.375 -25.923 -19.517 1.00 0.00 C ATOM 683 O LYS A 112 23.470 -24.783 -19.966 1.00 0.00 O ATOM 684 CB LYS A 112 23.773 -26.181 -17.065 1.00 0.00 C ATOM 685 CG LYS A 112 24.866 -27.191 -17.407 1.00 0.00 C ATOM 686 CD LYS A 112 25.696 -27.506 -16.162 1.00 0.00 C ATOM 687 CE LYS A 112 26.232 -26.206 -15.563 1.00 0.00 C ATOM 688 NZ LYS A 112 26.868 -25.395 -16.642 1.00 0.00 N ATOM 0 H LYS A 112 22.441 -28.185 -17.630 1.00 0.00 H new ATOM 0 HA LYS A 112 21.999 -25.376 -17.975 1.00 0.00 H new ATOM 0 HB2 LYS A 112 24.205 -25.186 -16.957 1.00 0.00 H new ATOM 0 HB3 LYS A 112 23.316 -26.435 -16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 112 24.419 -28.105 -17.797 1.00 0.00 H new ATOM 0 HG3 LYS A 112 25.509 -26.792 -18.191 1.00 0.00 H new ATOM 0 HD2 LYS A 112 25.085 -28.032 -15.428 1.00 0.00 H new ATOM 0 HD3 LYS A 112 26.523 -28.167 -16.421 1.00 0.00 H new ATOM 0 HE2 LYS A 112 25.422 -25.644 -15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 112 26.958 -26.424 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 27.688 -24.885 -16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 27.181 -26.023 -17.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 26.179 -24.711 -17.014 1.00 0.00 H new ATOM 702 N ALA A 113 23.833 -26.995 -20.156 1.00 0.00 N ATOM 703 CA ALA A 113 24.482 -26.877 -21.456 1.00 0.00 C ATOM 704 C ALA A 113 23.508 -26.335 -22.496 1.00 0.00 C ATOM 705 O ALA A 113 23.862 -25.481 -23.310 1.00 0.00 O ATOM 706 CB ALA A 113 25.003 -28.243 -21.903 1.00 0.00 C ATOM 0 H ALA A 113 23.767 -27.948 -19.798 1.00 0.00 H new ATOM 0 HA ALA A 113 25.317 -26.182 -21.363 1.00 0.00 H new ATOM 0 HB1 ALA A 113 25.487 -28.148 -22.875 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.723 -28.614 -21.174 1.00 0.00 H new ATOM 0 HB3 ALA A 113 24.171 -28.943 -21.979 1.00 0.00 H new ATOM 712 N ILE A 114 22.274 -26.824 -22.452 1.00 0.00 N ATOM 713 CA ILE A 114 21.247 -26.369 -23.382 1.00 0.00 C ATOM 714 C ILE A 114 20.949 -24.889 -23.165 1.00 0.00 C ATOM 715 O ILE A 114 20.789 -24.130 -24.121 1.00 0.00 O ATOM 716 CB ILE A 114 19.971 -27.195 -23.203 1.00 0.00 C ATOM 717 CG1 ILE A 114 20.214 -28.623 -23.700 1.00 0.00 C ATOM 718 CG2 ILE A 114 18.830 -26.562 -24.005 1.00 0.00 C ATOM 719 CD1 ILE A 114 19.087 -29.532 -23.210 1.00 0.00 C ATOM 0 H ILE A 114 21.961 -27.531 -21.787 1.00 0.00 H new ATOM 0 HA ILE A 114 21.615 -26.504 -24.399 1.00 0.00 H new ATOM 0 HB ILE A 114 19.700 -27.217 -22.147 1.00 0.00 H new ATOM 0 HG12 ILE A 114 20.260 -28.638 -24.789 1.00 0.00 H new ATOM 0 HG13 ILE A 114 21.174 -28.988 -23.336 1.00 0.00 H new ATOM 0 HG21 ILE A 114 17.923 -27.152 -23.875 1.00 0.00 H new ATOM 0 HG22 ILE A 114 18.656 -25.546 -23.650 1.00 0.00 H new ATOM 0 HG23 ILE A 114 19.098 -26.536 -25.061 1.00 0.00 H new ATOM 0 HD11 ILE A 114 19.260 -30.548 -23.564 1.00 0.00 H new ATOM 0 HD12 ILE A 114 19.063 -29.526 -22.120 1.00 0.00 H new ATOM 0 HD13 ILE A 114 18.134 -29.170 -23.596 1.00 0.00 H new ATOM 731 N ALA A 115 20.846 -24.494 -21.899 1.00 0.00 N ATOM 732 CA ALA A 115 20.540 -23.104 -21.572 1.00 0.00 C ATOM 733 C ALA A 115 21.621 -22.178 -22.118 1.00 0.00 C ATOM 734 O ALA A 115 21.327 -21.104 -22.644 1.00 0.00 O ATOM 735 CB ALA A 115 20.448 -22.940 -20.054 1.00 0.00 C ATOM 0 H ALA A 115 20.968 -25.107 -21.093 1.00 0.00 H new ATOM 0 HA ALA A 115 19.586 -22.840 -22.028 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.220 -21.902 -19.813 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.659 -23.584 -19.666 1.00 0.00 H new ATOM 0 HB3 ALA A 115 21.399 -23.217 -19.600 1.00 0.00 H new ATOM 741 N GLU A 116 22.873 -22.601 -21.999 1.00 0.00 N ATOM 742 CA GLU A 116 23.991 -21.805 -22.493 1.00 0.00 C ATOM 743 C GLU A 116 23.907 -21.649 -24.010 1.00 0.00 C ATOM 744 O GLU A 116 24.217 -20.590 -24.553 1.00 0.00 O ATOM 745 CB GLU A 116 25.314 -22.465 -22.112 1.00 0.00 C ATOM 746 CG GLU A 116 25.517 -22.366 -20.598 1.00 0.00 C ATOM 747 CD GLU A 116 26.769 -23.132 -20.189 1.00 0.00 C ATOM 748 OE1 GLU A 116 27.482 -23.578 -21.072 1.00 0.00 O ATOM 749 OE2 GLU A 116 26.992 -23.272 -18.997 1.00 0.00 O ATOM 0 H GLU A 116 23.140 -23.486 -21.567 1.00 0.00 H new ATOM 0 HA GLU A 116 23.940 -20.817 -22.036 1.00 0.00 H new ATOM 0 HB2 GLU A 116 25.314 -23.510 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 116 26.139 -21.978 -22.633 1.00 0.00 H new ATOM 0 HG2 GLU A 116 25.607 -21.321 -20.302 1.00 0.00 H new ATOM 0 HG3 GLU A 116 24.648 -22.770 -20.079 1.00 0.00 H new ATOM 756 N SER A 117 23.502 -22.717 -24.688 1.00 0.00 N ATOM 757 CA SER A 117 23.388 -22.688 -26.143 1.00 0.00 C ATOM 758 C SER A 117 22.345 -21.665 -26.577 1.00 0.00 C ATOM 759 O SER A 117 22.533 -20.940 -27.555 1.00 0.00 O ATOM 760 CB SER A 117 23.002 -24.073 -26.662 1.00 0.00 C ATOM 761 OG SER A 117 24.061 -24.985 -26.408 1.00 0.00 O ATOM 0 H SER A 117 23.249 -23.607 -24.259 1.00 0.00 H new ATOM 0 HA SER A 117 24.353 -22.402 -26.561 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.089 -24.414 -26.175 1.00 0.00 H new ATOM 0 HB3 SER A 117 22.795 -24.028 -27.731 1.00 0.00 H new ATOM 0 HG SER A 117 24.093 -25.191 -25.450 1.00 0.00 H new ATOM 767 N LEU A 118 21.242 -21.605 -25.842 1.00 0.00 N ATOM 768 CA LEU A 118 20.182 -20.657 -26.165 1.00 0.00 C ATOM 769 C LEU A 118 20.643 -19.228 -25.921 1.00 0.00 C ATOM 770 O LEU A 118 20.247 -18.311 -26.638 1.00 0.00 O ATOM 771 CB LEU A 118 18.934 -20.960 -25.304 1.00 0.00 C ATOM 772 CG LEU A 118 17.993 -21.903 -26.055 1.00 0.00 C ATOM 773 CD1 LEU A 118 18.663 -23.267 -26.230 1.00 0.00 C ATOM 774 CD2 LEU A 118 16.698 -22.065 -25.262 1.00 0.00 C ATOM 0 H LEU A 118 21.058 -22.193 -25.029 1.00 0.00 H new ATOM 0 HA LEU A 118 19.932 -20.762 -27.221 1.00 0.00 H new ATOM 0 HB2 LEU A 118 19.236 -21.412 -24.359 1.00 0.00 H new ATOM 0 HB3 LEU A 118 18.415 -20.032 -25.063 1.00 0.00 H new ATOM 0 HG LEU A 118 17.768 -21.486 -27.036 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.990 -23.937 -26.765 1.00 0.00 H new ATOM 0 HD12 LEU A 118 19.586 -23.149 -26.798 1.00 0.00 H new ATOM 0 HD13 LEU A 118 18.891 -23.688 -25.251 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.026 -22.737 -25.796 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.922 -22.481 -24.280 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.220 -21.093 -25.143 1.00 0.00 H new ATOM 786 N ASN A 119 21.466 -19.047 -24.899 1.00 0.00 N ATOM 787 CA ASN A 119 21.971 -17.721 -24.568 1.00 0.00 C ATOM 788 C ASN A 119 22.981 -17.259 -25.608 1.00 0.00 C ATOM 789 O ASN A 119 23.166 -16.060 -25.819 1.00 0.00 O ATOM 790 CB ASN A 119 22.627 -17.742 -23.187 1.00 0.00 C ATOM 791 CG ASN A 119 22.830 -16.318 -22.684 1.00 0.00 C ATOM 792 OD1 ASN A 119 21.969 -15.460 -22.879 1.00 0.00 O ATOM 793 ND2 ASN A 119 23.927 -16.010 -22.046 1.00 0.00 N ATOM 0 H ASN A 119 21.797 -19.794 -24.288 1.00 0.00 H new ATOM 0 HA ASN A 119 21.133 -17.024 -24.560 1.00 0.00 H new ATOM 0 HB2 ASN A 119 22.003 -18.298 -22.487 1.00 0.00 H new ATOM 0 HB3 ASN A 119 23.586 -18.258 -23.239 1.00 0.00 H new ATOM 0 HD21 ASN A 119 24.071 -15.058 -21.709 1.00 0.00 H new ATOM 0 HD22 ASN A 119 24.640 -16.721 -21.885 1.00 0.00 H new ATOM 800 N SER A 120 23.648 -18.218 -26.248 1.00 0.00 N ATOM 801 CA SER A 120 24.652 -17.895 -27.260 1.00 0.00 C ATOM 802 C SER A 120 24.021 -17.843 -28.645 1.00 0.00 C ATOM 803 O SER A 120 24.638 -17.376 -29.600 1.00 0.00 O ATOM 804 CB SER A 120 25.761 -18.945 -27.241 1.00 0.00 C ATOM 805 OG SER A 120 26.401 -18.928 -25.971 1.00 0.00 O ATOM 0 H SER A 120 23.513 -19.216 -26.086 1.00 0.00 H new ATOM 0 HA SER A 120 25.072 -16.916 -27.031 1.00 0.00 H new ATOM 0 HB2 SER A 120 25.346 -19.933 -27.439 1.00 0.00 H new ATOM 0 HB3 SER A 120 26.485 -18.740 -28.029 1.00 0.00 H new ATOM 0 HG SER A 120 25.856 -19.422 -25.324 1.00 0.00 H new ATOM 811 N CYS A 121 22.785 -18.322 -28.746 1.00 0.00 N ATOM 812 CA CYS A 121 22.070 -18.320 -30.020 1.00 0.00 C ATOM 813 C CYS A 121 21.290 -17.020 -30.192 1.00 0.00 C ATOM 814 O CYS A 121 21.361 -16.125 -29.350 1.00 0.00 O ATOM 815 CB CYS A 121 21.111 -19.507 -30.086 1.00 0.00 C ATOM 816 SG CYS A 121 22.057 -21.034 -30.316 1.00 0.00 S ATOM 0 H CYS A 121 22.259 -18.715 -27.966 1.00 0.00 H new ATOM 0 HA CYS A 121 22.800 -18.403 -30.825 1.00 0.00 H new ATOM 0 HB2 CYS A 121 20.523 -19.565 -29.170 1.00 0.00 H new ATOM 0 HB3 CYS A 121 20.408 -19.375 -30.908 1.00 0.00 H new ATOM 0 HG CYS A 121 22.588 -21.390 -29.184 1.00 0.00 H new ATOM 822 N ARG A 122 20.549 -16.924 -31.290 1.00 0.00 N ATOM 823 CA ARG A 122 19.763 -15.729 -31.569 1.00 0.00 C ATOM 824 C ARG A 122 20.639 -14.487 -31.517 1.00 0.00 C ATOM 825 O ARG A 122 20.339 -13.528 -30.804 1.00 0.00 O ATOM 826 CB ARG A 122 18.637 -15.602 -30.540 1.00 0.00 C ATOM 827 CG ARG A 122 17.775 -16.870 -30.557 1.00 0.00 C ATOM 828 CD ARG A 122 16.867 -16.866 -31.791 1.00 0.00 C ATOM 829 NE ARG A 122 15.880 -17.930 -31.692 1.00 0.00 N ATOM 830 CZ ARG A 122 14.747 -17.756 -31.022 1.00 0.00 C ATOM 831 NH1 ARG A 122 14.508 -16.614 -30.435 1.00 0.00 N ATOM 832 NH2 ARG A 122 13.875 -18.722 -30.953 1.00 0.00 N ATOM 0 H ARG A 122 20.476 -17.655 -31.998 1.00 0.00 H new ATOM 0 HA ARG A 122 19.340 -15.818 -32.570 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.056 -15.449 -29.545 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.023 -14.730 -30.765 1.00 0.00 H new ATOM 0 HG2 ARG A 122 18.413 -17.754 -30.567 1.00 0.00 H new ATOM 0 HG3 ARG A 122 17.172 -16.922 -29.651 1.00 0.00 H new ATOM 0 HD2 ARG A 122 16.366 -15.902 -31.880 1.00 0.00 H new ATOM 0 HD3 ARG A 122 17.466 -16.998 -32.692 1.00 0.00 H new ATOM 0 HE ARG A 122 16.062 -18.826 -32.145 1.00 0.00 H new ATOM 0 HH11 ARG A 122 15.191 -15.859 -30.492 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.638 -16.478 -29.920 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.063 -19.612 -31.414 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.005 -18.588 -30.438 1.00 0.00 H new ATOM 846 N PRO A 123 21.709 -14.486 -32.265 1.00 0.00 N ATOM 847 CA PRO A 123 22.655 -13.330 -32.318 1.00 0.00 C ATOM 848 C PRO A 123 22.022 -12.099 -32.964 1.00 0.00 C ATOM 849 O PRO A 123 21.238 -12.215 -33.905 1.00 0.00 O ATOM 850 CB PRO A 123 23.829 -13.862 -33.159 1.00 0.00 C ATOM 851 CG PRO A 123 23.244 -14.963 -33.991 1.00 0.00 C ATOM 852 CD PRO A 123 22.135 -15.586 -33.146 1.00 0.00 C ATOM 0 HA PRO A 123 22.957 -12.997 -31.325 1.00 0.00 H new ATOM 0 HB2 PRO A 123 24.253 -13.077 -33.785 1.00 0.00 H new ATOM 0 HB3 PRO A 123 24.633 -14.233 -32.524 1.00 0.00 H new ATOM 0 HG2 PRO A 123 22.848 -14.575 -34.929 1.00 0.00 H new ATOM 0 HG3 PRO A 123 24.002 -15.703 -34.247 1.00 0.00 H new ATOM 0 HD2 PRO A 123 21.313 -15.944 -33.765 1.00 0.00 H new ATOM 0 HD3 PRO A 123 22.499 -16.440 -32.574 1.00 0.00 H new ATOM 860 N SER A 124 22.384 -10.926 -32.458 1.00 0.00 N ATOM 861 CA SER A 124 21.850 -9.684 -32.997 1.00 0.00 C ATOM 862 C SER A 124 22.424 -9.412 -34.385 1.00 0.00 C ATOM 863 O SER A 124 23.585 -9.716 -34.660 1.00 0.00 O ATOM 864 CB SER A 124 22.197 -8.521 -32.064 1.00 0.00 C ATOM 865 OG SER A 124 21.599 -8.748 -30.794 1.00 0.00 O ATOM 0 H SER A 124 23.038 -10.810 -31.684 1.00 0.00 H new ATOM 0 HA SER A 124 20.767 -9.778 -33.076 1.00 0.00 H new ATOM 0 HB2 SER A 124 23.278 -8.432 -31.960 1.00 0.00 H new ATOM 0 HB3 SER A 124 21.839 -7.581 -32.485 1.00 0.00 H new ATOM 0 HG SER A 124 21.819 -8.007 -30.192 1.00 0.00 H new ATOM 871 N ASP A 125 21.602 -8.833 -35.253 1.00 0.00 N ATOM 872 CA ASP A 125 22.036 -8.517 -36.611 1.00 0.00 C ATOM 873 C ASP A 125 22.991 -7.330 -36.609 1.00 0.00 C ATOM 874 O ASP A 125 22.957 -6.494 -35.710 1.00 0.00 O ATOM 875 CB ASP A 125 20.823 -8.204 -37.488 1.00 0.00 C ATOM 876 CG ASP A 125 20.048 -9.483 -37.786 1.00 0.00 C ATOM 877 OD1 ASP A 125 20.584 -10.552 -37.536 1.00 0.00 O ATOM 878 OD2 ASP A 125 18.929 -9.378 -38.258 1.00 0.00 O ATOM 0 H ASP A 125 20.638 -8.574 -35.044 1.00 0.00 H new ATOM 0 HA ASP A 125 22.559 -9.384 -37.015 1.00 0.00 H new ATOM 0 HB2 ASP A 125 20.176 -7.486 -36.984 1.00 0.00 H new ATOM 0 HB3 ASP A 125 21.148 -7.741 -38.420 1.00 0.00 H new ATOM 883 N ALA A 126 23.842 -7.260 -37.627 1.00 0.00 N ATOM 884 CA ALA A 126 24.801 -6.167 -37.736 1.00 0.00 C ATOM 885 C ALA A 126 24.079 -4.828 -37.840 1.00 0.00 C ATOM 886 O ALA A 126 24.636 -3.783 -37.501 1.00 0.00 O ATOM 887 CB ALA A 126 25.689 -6.369 -38.966 1.00 0.00 C ATOM 0 H ALA A 126 23.887 -7.942 -38.384 1.00 0.00 H new ATOM 0 HA ALA A 126 25.421 -6.163 -36.839 1.00 0.00 H new ATOM 0 HB1 ALA A 126 26.402 -5.548 -39.039 1.00 0.00 H new ATOM 0 HB2 ALA A 126 26.229 -7.311 -38.874 1.00 0.00 H new ATOM 0 HB3 ALA A 126 25.069 -6.392 -39.862 1.00 0.00 H new ATOM 893 N SER A 127 22.839 -4.865 -38.317 1.00 0.00 N ATOM 894 CA SER A 127 22.052 -3.648 -38.466 1.00 0.00 C ATOM 895 C SER A 127 21.480 -3.212 -37.124 1.00 0.00 C ATOM 896 O SER A 127 20.906 -2.130 -37.009 1.00 0.00 O ATOM 897 CB SER A 127 20.911 -3.881 -39.455 1.00 0.00 C ATOM 898 OG SER A 127 21.452 -4.184 -40.733 1.00 0.00 O ATOM 0 H SER A 127 22.361 -5.719 -38.605 1.00 0.00 H new ATOM 0 HA SER A 127 22.705 -2.861 -38.843 1.00 0.00 H new ATOM 0 HB2 SER A 127 20.278 -4.700 -39.112 1.00 0.00 H new ATOM 0 HB3 SER A 127 20.280 -2.994 -39.515 1.00 0.00 H new ATOM 0 HG SER A 127 20.722 -4.336 -41.369 1.00 0.00 H new ATOM 904 N ALA A 128 21.638 -4.061 -36.111 1.00 0.00 N ATOM 905 CA ALA A 128 21.134 -3.755 -34.774 1.00 0.00 C ATOM 906 C ALA A 128 19.636 -4.019 -34.697 1.00 0.00 C ATOM 907 O ALA A 128 19.006 -3.769 -33.670 1.00 0.00 O ATOM 908 CB ALA A 128 21.421 -2.283 -34.429 1.00 0.00 C ATOM 0 H ALA A 128 22.109 -4.962 -36.190 1.00 0.00 H new ATOM 0 HA ALA A 128 21.641 -4.399 -34.056 1.00 0.00 H new ATOM 0 HB1 ALA A 128 21.042 -2.063 -33.431 1.00 0.00 H new ATOM 0 HB2 ALA A 128 22.496 -2.106 -34.456 1.00 0.00 H new ATOM 0 HB3 ALA A 128 20.928 -1.636 -35.155 1.00 0.00 H new ATOM 914 N THR A 129 19.069 -4.511 -35.793 1.00 0.00 N ATOM 915 CA THR A 129 17.638 -4.798 -35.840 1.00 0.00 C ATOM 916 C THR A 129 17.367 -6.224 -35.381 1.00 0.00 C ATOM 917 O THR A 129 18.258 -7.075 -35.407 1.00 0.00 O ATOM 918 CB THR A 129 17.112 -4.607 -37.264 1.00 0.00 C ATOM 919 OG1 THR A 129 17.730 -5.550 -38.125 1.00 0.00 O ATOM 920 CG2 THR A 129 17.432 -3.190 -37.741 1.00 0.00 C ATOM 0 H THR A 129 19.573 -4.719 -36.655 1.00 0.00 H new ATOM 0 HA THR A 129 17.124 -4.108 -35.171 1.00 0.00 H new ATOM 0 HB THR A 129 16.032 -4.757 -37.277 1.00 0.00 H new ATOM 0 HG1 THR A 129 17.393 -5.430 -39.037 1.00 0.00 H new ATOM 0 HG21 THR A 129 17.057 -3.054 -38.755 1.00 0.00 H new ATOM 0 HG22 THR A 129 16.956 -2.467 -37.079 1.00 0.00 H new ATOM 0 HG23 THR A 129 18.511 -3.037 -37.729 1.00 0.00 H new ATOM 928 N ARG A 130 16.131 -6.482 -34.963 1.00 0.00 N ATOM 929 CA ARG A 130 15.753 -7.815 -34.499 1.00 0.00 C ATOM 930 C ARG A 130 15.256 -8.663 -35.666 1.00 0.00 C ATOM 931 O ARG A 130 14.330 -8.275 -36.379 1.00 0.00 O ATOM 932 CB ARG A 130 14.658 -7.706 -33.439 1.00 0.00 C ATOM 933 CG ARG A 130 14.271 -9.107 -32.956 1.00 0.00 C ATOM 934 CD ARG A 130 13.327 -8.993 -31.760 1.00 0.00 C ATOM 935 NE ARG A 130 12.827 -10.310 -31.386 1.00 0.00 N ATOM 936 CZ ARG A 130 11.947 -10.456 -30.400 1.00 0.00 C ATOM 937 NH1 ARG A 130 11.515 -9.410 -29.751 1.00 0.00 N ATOM 938 NH2 ARG A 130 11.513 -11.645 -30.084 1.00 0.00 N ATOM 0 H ARG A 130 15.379 -5.793 -34.936 1.00 0.00 H new ATOM 0 HA ARG A 130 16.630 -8.294 -34.064 1.00 0.00 H new ATOM 0 HB2 ARG A 130 15.008 -7.105 -32.600 1.00 0.00 H new ATOM 0 HB3 ARG A 130 13.786 -7.199 -33.853 1.00 0.00 H new ATOM 0 HG2 ARG A 130 13.789 -9.660 -33.762 1.00 0.00 H new ATOM 0 HG3 ARG A 130 15.164 -9.666 -32.676 1.00 0.00 H new ATOM 0 HD2 ARG A 130 13.850 -8.541 -30.917 1.00 0.00 H new ATOM 0 HD3 ARG A 130 12.493 -8.336 -32.007 1.00 0.00 H new ATOM 0 HE ARG A 130 13.158 -11.133 -31.889 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.852 -8.480 -30.000 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.840 -9.522 -28.995 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.849 -12.462 -30.593 1.00 0.00 H new ATOM 0 HH22 ARG A 130 10.838 -11.757 -29.328 1.00 0.00 H new ATOM 952 N SER A 131 15.876 -9.824 -35.854 1.00 0.00 N ATOM 953 CA SER A 131 15.489 -10.721 -36.935 1.00 0.00 C ATOM 954 C SER A 131 14.088 -11.276 -36.694 1.00 0.00 C ATOM 955 O SER A 131 13.963 -12.483 -36.575 1.00 0.00 O ATOM 956 CB SER A 131 16.486 -11.875 -37.039 1.00 0.00 C ATOM 957 OG SER A 131 16.330 -12.732 -35.915 1.00 0.00 O ATOM 958 OXT SER A 131 13.161 -10.484 -36.635 1.00 0.00 O ATOM 0 H SER A 131 16.644 -10.163 -35.275 1.00 0.00 H new ATOM 0 HA SER A 131 15.489 -10.157 -37.868 1.00 0.00 H new ATOM 0 HB2 SER A 131 16.321 -12.432 -37.961 1.00 0.00 H new ATOM 0 HB3 SER A 131 17.505 -11.489 -37.078 1.00 0.00 H new ATOM 0 HG SER A 131 15.481 -13.216 -35.988 1.00 0.00 H new TER 964 SER A 131