USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 SER OG : rot -160:sc= -0.511 USER MOD Set 1.2: A 129 THR OG1 : rot -60:sc= 0.411! USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -115:sc= 0.153 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 135:sc= -0.261 (180deg=-1.07) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.45) 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= -0.182 X(o=-0.18,f=-0.26) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -0.518 (180deg=-1.01) USER MOD Single : A 91 MET CE :methyl 156:sc= -0.101 (180deg=-0.792) USER MOD Single : A 92 SER OG : rot 90:sc= -0.887! USER MOD Single : A 94 GLN : amide:sc= -0.0151 K(o=-0.015,f=-2!) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.3 F(o=-1.2!,f=-0.3) USER MOD Single : A 101 SER OG : rot -139:sc= 0.463 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -88:sc= -0.121 USER MOD Single : A 119 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 121 CYS SG : rot 65:sc= 0.165 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -46:sc= 0.0986 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 14.369 -37.082 7.015 1.00 0.00 N ATOM 2 CA GLY A -4 13.344 -36.571 6.061 1.00 0.00 C ATOM 3 C GLY A -4 13.863 -36.701 4.633 1.00 0.00 C ATOM 4 O GLY A -4 15.032 -37.020 4.414 1.00 0.00 O ATOM 0 H1 GLY A -4 14.002 -37.926 7.500 1.00 0.00 H new ATOM 0 H2 GLY A -4 15.234 -37.331 6.494 1.00 0.00 H new ATOM 0 H3 GLY A -4 14.587 -36.347 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A -4 12.416 -37.132 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A -4 13.115 -35.528 6.282 1.00 0.00 H new ATOM 10 N PRO A -3 13.018 -36.464 3.666 1.00 0.00 N ATOM 11 CA PRO A -3 13.394 -36.556 2.222 1.00 0.00 C ATOM 12 C PRO A -3 14.398 -35.472 1.822 1.00 0.00 C ATOM 13 O PRO A -3 15.145 -35.631 0.855 1.00 0.00 O ATOM 14 CB PRO A -3 12.052 -36.384 1.490 1.00 0.00 C ATOM 15 CG PRO A -3 11.193 -35.616 2.441 1.00 0.00 C ATOM 16 CD PRO A -3 11.607 -36.075 3.839 1.00 0.00 C ATOM 0 HA PRO A -3 13.892 -37.494 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A -3 12.180 -35.846 0.550 1.00 0.00 H new ATOM 0 HB3 PRO A -3 11.608 -37.349 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A -3 11.341 -34.543 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A -3 10.136 -35.814 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A -3 11.497 -35.277 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A -3 10.999 -36.911 4.184 1.00 0.00 H new ATOM 24 N LEU A -2 14.408 -34.373 2.571 1.00 0.00 N ATOM 25 CA LEU A -2 15.323 -33.269 2.286 1.00 0.00 C ATOM 26 C LEU A -2 15.321 -32.946 0.793 1.00 0.00 C ATOM 27 O LEU A -2 14.281 -33.001 0.135 1.00 0.00 O ATOM 28 CB LEU A -2 16.750 -33.638 2.735 1.00 0.00 C ATOM 29 CG LEU A -2 17.569 -32.362 3.041 1.00 0.00 C ATOM 30 CD1 LEU A -2 17.293 -31.880 4.472 1.00 0.00 C ATOM 31 CD2 LEU A -2 19.066 -32.660 2.896 1.00 0.00 C ATOM 0 H LEU A -2 13.798 -34.222 3.375 1.00 0.00 H new ATOM 0 HA LEU A -2 14.988 -32.390 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A -2 16.706 -34.270 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A -2 17.245 -34.216 1.955 1.00 0.00 H new ATOM 0 HG LEU A -2 17.275 -31.585 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A -2 17.877 -30.981 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A -2 16.232 -31.656 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A -2 17.574 -32.660 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A -2 19.639 -31.758 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A -2 19.350 -33.447 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A -2 19.275 -32.987 1.877 1.00 0.00 H new ATOM 43 N GLY A -1 16.495 -32.611 0.266 1.00 0.00 N ATOM 44 CA GLY A -1 16.628 -32.282 -1.150 1.00 0.00 C ATOM 45 C GLY A -1 16.325 -30.809 -1.398 1.00 0.00 C ATOM 46 O GLY A -1 15.164 -30.411 -1.479 1.00 0.00 O ATOM 0 H GLY A -1 17.365 -32.560 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A -1 17.639 -32.511 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A -1 15.949 -32.901 -1.736 1.00 0.00 H new ATOM 50 N SER A 0 17.376 -30.005 -1.522 1.00 0.00 N ATOM 51 CA SER A 0 17.208 -28.577 -1.766 1.00 0.00 C ATOM 52 C SER A 0 16.531 -28.345 -3.113 1.00 0.00 C ATOM 53 O SER A 0 15.924 -27.299 -3.343 1.00 0.00 O ATOM 54 CB SER A 0 18.566 -27.880 -1.745 1.00 0.00 C ATOM 55 OG SER A 0 19.361 -28.364 -2.819 1.00 0.00 O ATOM 0 H SER A 0 18.346 -30.315 -1.458 1.00 0.00 H new ATOM 0 HA SER A 0 16.579 -28.162 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 0 18.435 -26.801 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.067 -28.065 -0.795 1.00 0.00 H new ATOM 0 HG SER A 0 20.233 -27.916 -2.808 1.00 0.00 H new ATOM 61 N ARG A 74 16.643 -29.330 -3.997 1.00 0.00 N ATOM 62 CA ARG A 74 16.044 -29.232 -5.323 1.00 0.00 C ATOM 63 C ARG A 74 14.524 -29.121 -5.226 1.00 0.00 C ATOM 64 O ARG A 74 13.884 -28.511 -6.082 1.00 0.00 O ATOM 65 CB ARG A 74 16.411 -30.465 -6.156 1.00 0.00 C ATOM 66 CG ARG A 74 15.879 -30.295 -7.583 1.00 0.00 C ATOM 67 CD ARG A 74 16.320 -31.485 -8.442 1.00 0.00 C ATOM 68 NE ARG A 74 15.796 -31.351 -9.797 1.00 0.00 N ATOM 69 CZ ARG A 74 16.408 -30.593 -10.703 1.00 0.00 C ATOM 70 NH1 ARG A 74 17.501 -29.952 -10.389 1.00 0.00 N ATOM 71 NH2 ARG A 74 15.916 -30.490 -11.908 1.00 0.00 N ATOM 0 H ARG A 74 17.141 -30.202 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 74 16.432 -28.335 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.493 -30.596 -6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.988 -31.362 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.791 -30.226 -7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 74 16.252 -29.365 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 74 17.408 -31.540 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.965 -32.415 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 74 14.944 -31.848 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 74 17.887 -30.032 -9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.969 -29.371 -11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.062 -30.991 -12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.385 -29.909 -12.603 1.00 0.00 H new ATOM 85 N LYS A 75 13.948 -29.734 -4.192 1.00 0.00 N ATOM 86 CA LYS A 75 12.496 -29.710 -4.018 1.00 0.00 C ATOM 87 C LYS A 75 12.060 -28.459 -3.273 1.00 0.00 C ATOM 88 O LYS A 75 10.869 -28.165 -3.164 1.00 0.00 O ATOM 89 CB LYS A 75 12.053 -30.942 -3.222 1.00 0.00 C ATOM 90 CG LYS A 75 12.559 -32.232 -3.886 1.00 0.00 C ATOM 91 CD LYS A 75 11.901 -32.437 -5.252 1.00 0.00 C ATOM 92 CE LYS A 75 12.201 -33.856 -5.741 1.00 0.00 C ATOM 93 NZ LYS A 75 11.589 -34.843 -4.808 1.00 0.00 N ATOM 0 H LYS A 75 14.456 -30.247 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 75 12.034 -29.713 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.434 -30.878 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.965 -30.965 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.642 -32.185 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.344 -33.085 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.824 -32.284 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.279 -31.705 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.805 -33.997 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.278 -34.012 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.109 -35.586 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.332 -35.272 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.899 -34.362 -4.197 1.00 0.00 H new ATOM 107 N ILE A 76 13.035 -27.725 -2.773 1.00 0.00 N ATOM 108 CA ILE A 76 12.769 -26.486 -2.044 1.00 0.00 C ATOM 109 C ILE A 76 12.718 -25.307 -3.008 1.00 0.00 C ATOM 110 O ILE A 76 13.661 -25.072 -3.762 1.00 0.00 O ATOM 111 CB ILE A 76 13.857 -26.253 -0.995 1.00 0.00 C ATOM 112 CG1 ILE A 76 13.970 -27.489 -0.084 1.00 0.00 C ATOM 113 CG2 ILE A 76 13.516 -25.016 -0.161 1.00 0.00 C ATOM 114 CD1 ILE A 76 12.619 -27.817 0.569 1.00 0.00 C ATOM 0 H ILE A 76 14.024 -27.961 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 76 11.804 -26.574 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 76 14.812 -26.090 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.314 -28.344 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.717 -27.308 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 76 14.294 -24.854 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.451 -24.145 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.559 -25.167 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.727 -28.694 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.290 -26.969 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.880 -28.021 -0.206 1.00 0.00 H new ATOM 126 N ALA A 77 11.613 -24.567 -2.987 1.00 0.00 N ATOM 127 CA ALA A 77 11.465 -23.422 -3.875 1.00 0.00 C ATOM 128 C ALA A 77 12.384 -22.280 -3.446 1.00 0.00 C ATOM 129 O ALA A 77 12.307 -21.802 -2.315 1.00 0.00 O ATOM 130 CB ALA A 77 10.011 -22.940 -3.861 1.00 0.00 C ATOM 0 H ALA A 77 10.817 -24.738 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 77 11.740 -23.732 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.905 -22.083 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.358 -23.745 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.734 -22.649 -2.848 1.00 0.00 H new ATOM 136 N GLN A 78 13.247 -21.844 -4.361 1.00 0.00 N ATOM 137 CA GLN A 78 14.172 -20.749 -4.072 1.00 0.00 C ATOM 138 C GLN A 78 13.504 -19.403 -4.330 1.00 0.00 C ATOM 139 O GLN A 78 12.837 -19.215 -5.346 1.00 0.00 O ATOM 140 CB GLN A 78 15.421 -20.882 -4.948 1.00 0.00 C ATOM 141 CG GLN A 78 16.195 -22.137 -4.541 1.00 0.00 C ATOM 142 CD GLN A 78 17.429 -22.302 -5.422 1.00 0.00 C ATOM 143 OE1 GLN A 78 18.106 -21.323 -5.733 1.00 0.00 O ATOM 144 NE2 GLN A 78 17.764 -23.492 -5.843 1.00 0.00 N ATOM 0 H GLN A 78 13.326 -22.228 -5.302 1.00 0.00 H new ATOM 0 HA GLN A 78 14.457 -20.802 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.137 -20.941 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.052 -20.000 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.493 -22.067 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.554 -23.014 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.201 -24.302 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.589 -23.611 -6.431 1.00 0.00 H new ATOM 153 N MET A 79 13.690 -18.467 -3.404 1.00 0.00 N ATOM 154 CA MET A 79 13.102 -17.140 -3.547 1.00 0.00 C ATOM 155 C MET A 79 13.902 -16.309 -4.545 1.00 0.00 C ATOM 156 O MET A 79 15.119 -16.457 -4.652 1.00 0.00 O ATOM 157 CB MET A 79 13.070 -16.437 -2.189 1.00 0.00 C ATOM 158 CG MET A 79 14.491 -16.326 -1.637 1.00 0.00 C ATOM 159 SD MET A 79 14.439 -15.590 0.015 1.00 0.00 S ATOM 160 CE MET A 79 16.220 -15.632 0.334 1.00 0.00 C ATOM 0 H MET A 79 14.238 -18.601 -2.554 1.00 0.00 H new ATOM 0 HA MET A 79 12.083 -17.246 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.630 -15.445 -2.292 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.441 -16.994 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 79 14.954 -17.312 -1.593 1.00 0.00 H new ATOM 0 HG3 MET A 79 15.104 -15.715 -2.300 1.00 0.00 H new ATOM 0 HE1 MET A 79 16.423 -15.216 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 79 16.572 -16.663 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 79 16.739 -15.042 -0.422 1.00 0.00 H new ATOM 170 N THR A 80 13.213 -15.436 -5.275 1.00 0.00 N ATOM 171 CA THR A 80 13.877 -14.591 -6.263 1.00 0.00 C ATOM 172 C THR A 80 14.520 -13.387 -5.589 1.00 0.00 C ATOM 173 O THR A 80 14.221 -13.077 -4.435 1.00 0.00 O ATOM 174 CB THR A 80 12.870 -14.124 -7.313 1.00 0.00 C ATOM 175 OG1 THR A 80 11.881 -13.315 -6.692 1.00 0.00 O ATOM 176 CG2 THR A 80 12.208 -15.341 -7.959 1.00 0.00 C ATOM 0 H THR A 80 12.205 -15.296 -5.203 1.00 0.00 H new ATOM 0 HA THR A 80 14.657 -15.175 -6.751 1.00 0.00 H new ATOM 0 HB THR A 80 13.383 -13.543 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.235 -13.013 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.489 -15.009 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.969 -15.959 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.693 -15.923 -7.195 1.00 0.00 H new ATOM 184 N GLU A 82 15.400 -12.707 -6.313 1.00 0.00 N ATOM 185 CA GLU A 82 16.069 -11.534 -5.767 1.00 0.00 C ATOM 186 C GLU A 82 15.042 -10.469 -5.410 1.00 0.00 C ATOM 187 O GLU A 82 15.122 -9.842 -4.353 1.00 0.00 O ATOM 188 CB GLU A 82 17.065 -10.979 -6.788 1.00 0.00 C ATOM 189 CG GLU A 82 17.794 -9.771 -6.195 1.00 0.00 C ATOM 190 CD GLU A 82 18.855 -9.275 -7.172 1.00 0.00 C ATOM 191 OE1 GLU A 82 18.978 -9.867 -8.232 1.00 0.00 O ATOM 192 OE2 GLU A 82 19.527 -8.310 -6.845 1.00 0.00 O ATOM 0 H GLU A 82 15.665 -12.944 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 82 16.609 -11.821 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.784 -11.750 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.542 -10.689 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.082 -8.974 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.259 -10.045 -5.248 1.00 0.00 H new ATOM 199 N GLU A 83 14.074 -10.271 -6.299 1.00 0.00 N ATOM 200 CA GLU A 83 13.029 -9.283 -6.068 1.00 0.00 C ATOM 201 C GLU A 83 12.195 -9.663 -4.849 1.00 0.00 C ATOM 202 O GLU A 83 11.832 -8.804 -4.045 1.00 0.00 O ATOM 203 CB GLU A 83 12.128 -9.172 -7.303 1.00 0.00 C ATOM 204 CG GLU A 83 11.078 -8.081 -7.075 1.00 0.00 C ATOM 205 CD GLU A 83 10.228 -7.903 -8.327 1.00 0.00 C ATOM 206 OE1 GLU A 83 10.475 -8.607 -9.292 1.00 0.00 O ATOM 207 OE2 GLU A 83 9.342 -7.065 -8.304 1.00 0.00 O ATOM 0 H GLU A 83 13.992 -10.778 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 83 13.500 -8.318 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.727 -8.937 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.639 -10.127 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.443 -8.347 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.568 -7.141 -6.822 1.00 0.00 H new ATOM 214 N GLN A 84 11.886 -10.951 -4.717 1.00 0.00 N ATOM 215 CA GLN A 84 11.093 -11.422 -3.600 1.00 0.00 C ATOM 216 C GLN A 84 11.821 -11.170 -2.284 1.00 0.00 C ATOM 217 O GLN A 84 11.218 -10.738 -1.302 1.00 0.00 O ATOM 218 CB GLN A 84 10.830 -12.917 -3.781 1.00 0.00 C ATOM 219 CG GLN A 84 9.940 -13.434 -2.657 1.00 0.00 C ATOM 220 CD GLN A 84 8.583 -12.736 -2.683 1.00 0.00 C ATOM 221 OE1 GLN A 84 8.325 -11.847 -1.871 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.693 -13.092 -3.568 1.00 0.00 N ATOM 0 H GLN A 84 12.174 -11.679 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 84 10.147 -10.881 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.353 -13.096 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.774 -13.462 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.803 -14.511 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.424 -13.264 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.908 -13.829 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.782 -12.634 -3.588 1.00 0.00 H new ATOM 231 N PHE A 85 13.121 -11.436 -2.273 1.00 0.00 N ATOM 232 CA PHE A 85 13.918 -11.227 -1.071 1.00 0.00 C ATOM 233 C PHE A 85 13.897 -9.756 -0.668 1.00 0.00 C ATOM 234 O PHE A 85 13.661 -9.422 0.494 1.00 0.00 O ATOM 235 CB PHE A 85 15.359 -11.681 -1.314 1.00 0.00 C ATOM 236 CG PHE A 85 16.191 -11.379 -0.090 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.055 -12.170 1.057 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.096 -10.312 -0.102 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.822 -11.892 2.193 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.864 -10.034 1.035 1.00 0.00 C ATOM 241 CZ PHE A 85 17.729 -10.824 2.182 1.00 0.00 C ATOM 0 H PHE A 85 13.642 -11.793 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 85 13.489 -11.817 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.384 -12.749 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.772 -11.170 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.358 -12.995 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.202 -9.703 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.715 -12.501 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.561 -9.209 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.323 -10.611 3.058 1.00 0.00 H new ATOM 251 N ALA A 86 14.142 -8.880 -1.636 1.00 0.00 N ATOM 252 CA ALA A 86 14.142 -7.448 -1.368 1.00 0.00 C ATOM 253 C ALA A 86 12.768 -6.998 -0.883 1.00 0.00 C ATOM 254 O ALA A 86 12.656 -6.171 0.018 1.00 0.00 O ATOM 255 CB ALA A 86 14.524 -6.676 -2.633 1.00 0.00 C ATOM 0 H ALA A 86 14.341 -9.133 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 86 14.875 -7.242 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.521 -5.607 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.520 -6.979 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.804 -6.892 -3.422 1.00 0.00 H new ATOM 261 N LEU A 87 11.722 -7.551 -1.488 1.00 0.00 N ATOM 262 CA LEU A 87 10.358 -7.197 -1.112 1.00 0.00 C ATOM 263 C LEU A 87 10.100 -7.556 0.347 1.00 0.00 C ATOM 264 O LEU A 87 9.472 -6.791 1.081 1.00 0.00 O ATOM 265 CB LEU A 87 9.358 -7.934 -2.012 1.00 0.00 C ATOM 266 CG LEU A 87 7.914 -7.566 -1.628 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.685 -6.055 -1.806 1.00 0.00 C ATOM 268 CD2 LEU A 87 6.949 -8.341 -2.533 1.00 0.00 C ATOM 0 H LEU A 87 11.791 -8.241 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 87 10.230 -6.122 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.540 -7.676 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.502 -9.011 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 87 7.739 -7.825 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.660 -5.808 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.375 -5.505 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.858 -5.781 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.922 -8.088 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.133 -8.075 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.105 -9.411 -2.399 1.00 0.00 H new ATOM 280 N ALA A 88 10.575 -8.723 0.761 1.00 0.00 N ATOM 281 CA ALA A 88 10.375 -9.163 2.136 1.00 0.00 C ATOM 282 C ALA A 88 11.003 -8.168 3.102 1.00 0.00 C ATOM 283 O ALA A 88 10.419 -7.835 4.135 1.00 0.00 O ATOM 284 CB ALA A 88 11.005 -10.543 2.338 1.00 0.00 C ATOM 0 H ALA A 88 11.095 -9.375 0.174 1.00 0.00 H new ATOM 0 HA ALA A 88 9.305 -9.223 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.852 -10.866 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.539 -11.258 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.074 -10.489 2.130 1.00 0.00 H new ATOM 290 N LEU A 89 12.191 -7.687 2.760 1.00 0.00 N ATOM 291 CA LEU A 89 12.879 -6.721 3.605 1.00 0.00 C ATOM 292 C LEU A 89 12.091 -5.416 3.679 1.00 0.00 C ATOM 293 O LEU A 89 11.987 -4.801 4.736 1.00 0.00 O ATOM 294 CB LEU A 89 14.280 -6.446 3.055 1.00 0.00 C ATOM 295 CG LEU A 89 15.165 -7.691 3.224 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.487 -7.473 2.477 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.445 -7.964 4.719 1.00 0.00 C ATOM 0 H LEU A 89 12.694 -7.947 1.912 1.00 0.00 H new ATOM 0 HA LEU A 89 12.961 -7.139 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.219 -6.173 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.725 -5.600 3.578 1.00 0.00 H new ATOM 0 HG LEU A 89 14.645 -8.555 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.120 -8.353 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.284 -7.309 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.998 -6.602 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.073 -8.850 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.957 -7.107 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.503 -8.129 5.241 1.00 0.00 H new ATOM 309 N LYS A 90 11.533 -5.001 2.546 1.00 0.00 N ATOM 310 CA LYS A 90 10.757 -3.765 2.504 1.00 0.00 C ATOM 311 C LYS A 90 9.533 -3.877 3.404 1.00 0.00 C ATOM 312 O LYS A 90 9.172 -2.927 4.097 1.00 0.00 O ATOM 313 CB LYS A 90 10.313 -3.469 1.070 1.00 0.00 C ATOM 314 CG LYS A 90 11.527 -3.074 0.228 1.00 0.00 C ATOM 315 CD LYS A 90 11.084 -2.799 -1.210 1.00 0.00 C ATOM 316 CE LYS A 90 12.292 -2.357 -2.039 1.00 0.00 C ATOM 317 NZ LYS A 90 13.290 -3.463 -2.089 1.00 0.00 N ATOM 0 H LYS A 90 11.601 -5.494 1.656 1.00 0.00 H new ATOM 0 HA LYS A 90 11.387 -2.950 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.829 -4.346 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.577 -2.665 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.002 -2.188 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.269 -3.872 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.640 -3.695 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.317 -2.025 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.977 -2.091 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.742 -1.466 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.864 -3.374 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.908 -3.411 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.795 -4.377 -2.096 1.00 0.00 H new ATOM 331 N MET A 91 8.898 -5.043 3.390 1.00 0.00 N ATOM 332 CA MET A 91 7.717 -5.259 4.213 1.00 0.00 C ATOM 333 C MET A 91 8.081 -5.157 5.691 1.00 0.00 C ATOM 334 O MET A 91 7.348 -4.562 6.480 1.00 0.00 O ATOM 335 CB MET A 91 7.117 -6.636 3.922 1.00 0.00 C ATOM 336 CG MET A 91 5.821 -6.811 4.716 1.00 0.00 C ATOM 337 SD MET A 91 5.089 -8.423 4.336 1.00 0.00 S ATOM 338 CE MET A 91 6.303 -9.453 5.200 1.00 0.00 C ATOM 0 H MET A 91 9.178 -5.844 2.824 1.00 0.00 H new ATOM 0 HA MET A 91 6.980 -4.492 3.974 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.918 -6.739 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.828 -7.417 4.191 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.024 -6.735 5.784 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.120 -6.014 4.467 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.849 -10.408 5.462 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.162 -9.625 4.551 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.630 -8.946 6.108 1.00 0.00 H new ATOM 348 N SER A 92 9.216 -5.742 6.060 1.00 0.00 N ATOM 349 CA SER A 92 9.657 -5.707 7.450 1.00 0.00 C ATOM 350 C SER A 92 9.906 -4.270 7.901 1.00 0.00 C ATOM 351 O SER A 92 9.556 -3.897 9.019 1.00 0.00 O ATOM 352 CB SER A 92 10.935 -6.532 7.608 1.00 0.00 C ATOM 353 OG SER A 92 11.960 -5.971 6.799 1.00 0.00 O ATOM 0 H SER A 92 9.840 -6.240 5.425 1.00 0.00 H new ATOM 0 HA SER A 92 8.872 -6.133 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.246 -6.545 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.752 -7.566 7.317 1.00 0.00 H new ATOM 0 HG SER A 92 12.455 -5.302 7.316 1.00 0.00 H new ATOM 359 N GLU A 93 10.494 -3.461 7.024 1.00 0.00 N ATOM 360 CA GLU A 93 10.757 -2.063 7.356 1.00 0.00 C ATOM 361 C GLU A 93 9.447 -1.299 7.546 1.00 0.00 C ATOM 362 O GLU A 93 9.337 -0.450 8.431 1.00 0.00 O ATOM 363 CB GLU A 93 11.599 -1.399 6.251 1.00 0.00 C ATOM 364 CG GLU A 93 13.085 -1.739 6.439 1.00 0.00 C ATOM 365 CD GLU A 93 13.296 -3.247 6.458 1.00 0.00 C ATOM 366 OE1 GLU A 93 12.843 -3.876 7.400 1.00 0.00 O ATOM 367 OE2 GLU A 93 13.922 -3.750 5.539 1.00 0.00 O ATOM 0 H GLU A 93 10.794 -3.743 6.091 1.00 0.00 H new ATOM 0 HA GLU A 93 11.316 -2.033 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.262 -1.740 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.460 -0.318 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.669 -1.296 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.447 -1.305 7.371 1.00 0.00 H new ATOM 374 N GLN A 94 8.455 -1.604 6.714 1.00 0.00 N ATOM 375 CA GLN A 94 7.162 -0.935 6.809 1.00 0.00 C ATOM 376 C GLN A 94 6.481 -1.267 8.132 1.00 0.00 C ATOM 377 O GLN A 94 5.844 -0.412 8.747 1.00 0.00 O ATOM 378 CB GLN A 94 6.265 -1.363 5.646 1.00 0.00 C ATOM 379 CG GLN A 94 6.801 -0.768 4.342 1.00 0.00 C ATOM 380 CD GLN A 94 6.056 -1.361 3.151 1.00 0.00 C ATOM 381 OE1 GLN A 94 5.595 -2.501 3.210 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.908 -0.649 2.067 1.00 0.00 N ATOM 0 H GLN A 94 8.520 -2.303 5.974 1.00 0.00 H new ATOM 0 HA GLN A 94 7.327 0.141 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.235 -2.450 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.243 -1.027 5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.683 0.316 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.868 -0.972 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.291 0.295 2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.409 -1.037 1.266 1.00 0.00 H new ATOM 391 N GLU A 95 6.622 -2.518 8.567 1.00 0.00 N ATOM 392 CA GLU A 95 6.021 -2.961 9.823 1.00 0.00 C ATOM 393 C GLU A 95 6.976 -2.734 10.990 1.00 0.00 C ATOM 394 O GLU A 95 6.587 -2.846 12.151 1.00 0.00 O ATOM 395 CB GLU A 95 5.671 -4.448 9.731 1.00 0.00 C ATOM 396 CG GLU A 95 4.574 -4.646 8.684 1.00 0.00 C ATOM 397 CD GLU A 95 4.231 -6.127 8.563 1.00 0.00 C ATOM 398 OE1 GLU A 95 4.912 -6.926 9.186 1.00 0.00 O ATOM 399 OE2 GLU A 95 3.293 -6.441 7.851 1.00 0.00 O ATOM 0 H GLU A 95 7.145 -3.240 8.071 1.00 0.00 H new ATOM 0 HA GLU A 95 5.116 -2.379 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.555 -5.025 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.334 -4.815 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.686 -4.080 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.906 -4.261 7.720 1.00 0.00 H new ATOM 406 N ALA A 96 8.227 -2.414 10.669 1.00 0.00 N ATOM 407 CA ALA A 96 9.240 -2.173 11.690 1.00 0.00 C ATOM 408 C ALA A 96 9.633 -3.480 12.380 1.00 0.00 C ATOM 409 O ALA A 96 10.815 -3.789 12.518 1.00 0.00 O ATOM 410 CB ALA A 96 8.712 -1.170 12.725 1.00 0.00 C ATOM 0 H ALA A 96 8.562 -2.316 9.711 1.00 0.00 H new ATOM 0 HA ALA A 96 10.125 -1.758 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.474 -0.995 13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.471 -0.229 12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.815 -1.572 13.197 1.00 0.00 H new ATOM 416 N ARG A 97 8.629 -4.241 12.811 1.00 0.00 N ATOM 417 CA ARG A 97 8.865 -5.516 13.489 1.00 0.00 C ATOM 418 C ARG A 97 7.777 -6.523 13.126 1.00 0.00 C ATOM 419 O ARG A 97 7.041 -6.334 12.158 1.00 0.00 O ATOM 420 CB ARG A 97 8.890 -5.312 15.005 1.00 0.00 C ATOM 421 CG ARG A 97 9.994 -4.316 15.368 1.00 0.00 C ATOM 422 CD ARG A 97 10.128 -4.236 16.889 1.00 0.00 C ATOM 423 NE ARG A 97 10.666 -5.488 17.410 1.00 0.00 N ATOM 424 CZ ARG A 97 10.766 -5.703 18.717 1.00 0.00 C ATOM 425 NH1 ARG A 97 10.388 -4.781 19.561 1.00 0.00 N ATOM 426 NH2 ARG A 97 11.244 -6.834 19.157 1.00 0.00 N ATOM 0 H ARG A 97 7.644 -3.998 12.703 1.00 0.00 H new ATOM 0 HA ARG A 97 9.830 -5.904 13.163 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.924 -4.942 15.349 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.064 -6.263 15.508 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.940 -4.628 14.925 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.760 -3.333 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.783 -3.408 17.161 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.155 -4.034 17.338 1.00 0.00 H new ATOM 0 HE ARG A 97 10.971 -6.211 16.759 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.016 -3.896 19.217 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.465 -4.946 20.565 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.541 -7.553 18.497 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.321 -6.999 20.161 1.00 0.00 H new ATOM 440 N GLU A 98 7.686 -7.591 13.911 1.00 0.00 N ATOM 441 CA GLU A 98 6.687 -8.626 13.669 1.00 0.00 C ATOM 442 C GLU A 98 5.280 -8.043 13.766 1.00 0.00 C ATOM 443 O GLU A 98 4.396 -8.395 12.987 1.00 0.00 O ATOM 444 CB GLU A 98 6.843 -9.748 14.698 1.00 0.00 C ATOM 445 CG GLU A 98 8.152 -10.500 14.445 1.00 0.00 C ATOM 446 CD GLU A 98 8.042 -11.318 13.162 1.00 0.00 C ATOM 447 OE1 GLU A 98 6.934 -11.471 12.674 1.00 0.00 O ATOM 448 OE2 GLU A 98 9.065 -11.782 12.690 1.00 0.00 O ATOM 0 H GLU A 98 8.288 -7.763 14.716 1.00 0.00 H new ATOM 0 HA GLU A 98 6.837 -9.025 12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.839 -9.333 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.999 -10.435 14.633 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.978 -9.793 14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.373 -11.156 15.287 1.00 0.00 H new ATOM 455 N VAL A 99 5.084 -7.148 14.729 1.00 0.00 N ATOM 456 CA VAL A 99 3.783 -6.517 14.923 1.00 0.00 C ATOM 457 C VAL A 99 3.562 -5.441 13.873 1.00 0.00 C ATOM 458 O VAL A 99 4.518 -4.845 13.372 1.00 0.00 O ATOM 459 CB VAL A 99 3.702 -5.872 16.308 1.00 0.00 C ATOM 460 CG1 VAL A 99 2.236 -5.637 16.684 1.00 0.00 C ATOM 461 CG2 VAL A 99 4.358 -6.794 17.339 1.00 0.00 C ATOM 0 H VAL A 99 5.805 -6.845 15.384 1.00 0.00 H new ATOM 0 HA VAL A 99 3.017 -7.287 14.833 1.00 0.00 H new ATOM 0 HB VAL A 99 4.225 -4.916 16.293 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.183 -5.178 17.671 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.774 -4.976 15.951 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.707 -6.590 16.698 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.301 -6.335 18.326 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.838 -7.752 17.353 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.403 -6.952 17.073 1.00 0.00 H new ATOM 471 N ASN A 100 2.307 -5.182 13.552 1.00 0.00 N ATOM 472 CA ASN A 100 2.001 -4.160 12.568 1.00 0.00 C ATOM 473 C ASN A 100 2.174 -2.774 13.182 1.00 0.00 C ATOM 474 O ASN A 100 1.587 -2.455 14.217 1.00 0.00 O ATOM 475 CB ASN A 100 0.560 -4.320 12.086 1.00 0.00 C ATOM 476 CG ASN A 100 0.374 -5.695 11.453 1.00 0.00 C ATOM 477 OD1 ASN A 100 -0.669 -6.410 11.772 1.00 0.00 O flip ATOM 478 ND2 ASN A 100 1.201 -6.129 10.651 1.00 0.00 N flip ATOM 0 H ASN A 100 1.496 -5.656 13.950 1.00 0.00 H new ATOM 0 HA ASN A 100 2.683 -4.270 11.725 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.128 -4.199 12.923 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.321 -3.541 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.015 -5.567 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.072 -7.051 10.234 1.00 0.00 H new ATOM 485 N SER A 101 2.973 -1.952 12.524 1.00 0.00 N ATOM 486 CA SER A 101 3.212 -0.593 12.992 1.00 0.00 C ATOM 487 C SER A 101 1.912 0.203 12.980 1.00 0.00 C ATOM 488 O SER A 101 1.703 1.085 13.811 1.00 0.00 O ATOM 489 CB SER A 101 4.244 0.097 12.099 1.00 0.00 C ATOM 490 OG SER A 101 3.721 0.213 10.782 1.00 0.00 O ATOM 0 H SER A 101 3.467 -2.198 11.666 1.00 0.00 H new ATOM 0 HA SER A 101 3.594 -0.638 14.012 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.484 1.083 12.496 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.171 -0.476 12.086 1.00 0.00 H new ATOM 0 HG SER A 101 4.425 0.008 10.131 1.00 0.00 H new ATOM 496 N GLN A 102 1.037 -0.119 12.030 1.00 0.00 N ATOM 497 CA GLN A 102 -0.242 0.570 11.922 1.00 0.00 C ATOM 498 C GLN A 102 -1.063 0.347 13.186 1.00 0.00 C ATOM 499 O GLN A 102 -1.685 1.272 13.709 1.00 0.00 O ATOM 500 CB GLN A 102 -1.010 0.049 10.704 1.00 0.00 C ATOM 501 CG GLN A 102 -2.310 0.837 10.538 1.00 0.00 C ATOM 502 CD GLN A 102 -3.028 0.389 9.269 1.00 0.00 C ATOM 503 OE1 GLN A 102 -2.474 -0.374 8.477 1.00 0.00 O ATOM 504 NE2 GLN A 102 -4.236 0.820 9.026 1.00 0.00 N ATOM 0 H GLN A 102 1.190 -0.846 11.331 1.00 0.00 H new ATOM 0 HA GLN A 102 -0.061 1.638 11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.398 0.146 9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.230 -1.012 10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.953 0.682 11.404 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.095 1.904 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.694 1.452 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.722 0.525 8.179 1.00 0.00 H new ATOM 513 N GLU A 103 -1.045 -0.886 13.682 1.00 0.00 N ATOM 514 CA GLU A 103 -1.775 -1.223 14.896 1.00 0.00 C ATOM 515 C GLU A 103 -1.207 -0.457 16.084 1.00 0.00 C ATOM 516 O GLU A 103 -1.945 0.004 16.954 1.00 0.00 O ATOM 517 CB GLU A 103 -1.681 -2.727 15.161 1.00 0.00 C ATOM 518 CG GLU A 103 -2.507 -3.478 14.116 1.00 0.00 C ATOM 519 CD GLU A 103 -2.260 -4.978 14.236 1.00 0.00 C ATOM 520 OE1 GLU A 103 -1.302 -5.350 14.893 1.00 0.00 O ATOM 521 OE2 GLU A 103 -3.033 -5.732 13.668 1.00 0.00 O ATOM 0 H GLU A 103 -0.535 -1.664 13.264 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.821 -0.945 14.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.641 -3.051 15.120 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.047 -2.955 16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.567 -3.263 14.255 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.241 -3.136 13.116 1.00 0.00 H new ATOM 528 N GLU A 104 0.115 -0.324 16.112 1.00 0.00 N ATOM 529 CA GLU A 104 0.777 0.388 17.198 1.00 0.00 C ATOM 530 C GLU A 104 0.358 1.856 17.207 1.00 0.00 C ATOM 531 O GLU A 104 0.130 2.441 18.266 1.00 0.00 O ATOM 532 CB GLU A 104 2.297 0.293 17.030 1.00 0.00 C ATOM 533 CG GLU A 104 2.750 -1.151 17.256 1.00 0.00 C ATOM 534 CD GLU A 104 2.573 -1.533 18.721 1.00 0.00 C ATOM 535 OE1 GLU A 104 2.525 -0.633 19.545 1.00 0.00 O ATOM 536 OE2 GLU A 104 2.485 -2.717 18.999 1.00 0.00 O ATOM 0 H GLU A 104 0.744 -0.697 15.401 1.00 0.00 H new ATOM 0 HA GLU A 104 0.484 -0.070 18.143 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.584 0.623 16.031 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.793 0.956 17.739 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.171 -1.825 16.624 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.795 -1.262 16.967 1.00 0.00 H new ATOM 543 N GLU A 105 0.249 2.444 16.020 1.00 0.00 N ATOM 544 CA GLU A 105 -0.151 3.841 15.911 1.00 0.00 C ATOM 545 C GLU A 105 -1.567 4.036 16.442 1.00 0.00 C ATOM 546 O GLU A 105 -1.859 5.024 17.116 1.00 0.00 O ATOM 547 CB GLU A 105 -0.085 4.290 14.450 1.00 0.00 C ATOM 548 CG GLU A 105 1.374 4.344 13.996 1.00 0.00 C ATOM 549 CD GLU A 105 2.089 5.504 14.680 1.00 0.00 C ATOM 550 OE1 GLU A 105 1.407 6.344 15.244 1.00 0.00 O ATOM 551 OE2 GLU A 105 3.307 5.538 14.627 1.00 0.00 O ATOM 0 H GLU A 105 0.430 1.981 15.130 1.00 0.00 H new ATOM 0 HA GLU A 105 0.534 4.443 16.507 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.647 3.600 13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.548 5.271 14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.873 3.405 14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.423 4.463 12.914 1.00 0.00 H new ATOM 558 N GLU A 106 -2.444 3.087 16.136 1.00 0.00 N ATOM 559 CA GLU A 106 -3.827 3.166 16.591 1.00 0.00 C ATOM 560 C GLU A 106 -3.893 3.120 18.113 1.00 0.00 C ATOM 561 O GLU A 106 -4.690 3.826 18.734 1.00 0.00 O ATOM 562 CB GLU A 106 -4.638 2.009 16.008 1.00 0.00 C ATOM 563 CG GLU A 106 -4.806 2.213 14.501 1.00 0.00 C ATOM 564 CD GLU A 106 -5.526 1.016 13.891 1.00 0.00 C ATOM 565 OE1 GLU A 106 -5.712 0.038 14.597 1.00 0.00 O ATOM 566 OE2 GLU A 106 -5.881 1.094 12.727 1.00 0.00 O ATOM 0 H GLU A 106 -2.225 2.261 15.580 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.248 4.111 16.248 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.134 1.063 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.614 1.956 16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.372 3.125 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.830 2.339 14.032 1.00 0.00 H new ATOM 573 N GLU A 107 -3.054 2.282 18.710 1.00 0.00 N ATOM 574 CA GLU A 107 -3.027 2.151 20.162 1.00 0.00 C ATOM 575 C GLU A 107 -2.636 3.473 20.813 1.00 0.00 C ATOM 576 O GLU A 107 -3.187 3.851 21.848 1.00 0.00 O ATOM 577 CB GLU A 107 -2.027 1.065 20.567 1.00 0.00 C ATOM 578 CG GLU A 107 -2.570 -0.306 20.162 1.00 0.00 C ATOM 579 CD GLU A 107 -1.512 -1.377 20.401 1.00 0.00 C ATOM 580 OE1 GLU A 107 -0.377 -1.012 20.661 1.00 0.00 O ATOM 581 OE2 GLU A 107 -1.851 -2.546 20.323 1.00 0.00 O ATOM 0 H GLU A 107 -2.388 1.687 18.216 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.025 1.874 20.503 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.065 1.244 20.086 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.856 1.097 21.643 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.467 -0.535 20.737 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.858 -0.296 19.111 1.00 0.00 H new ATOM 588 N GLU A 108 -1.682 4.171 20.204 1.00 0.00 N ATOM 589 CA GLU A 108 -1.227 5.449 20.739 1.00 0.00 C ATOM 590 C GLU A 108 -2.361 6.472 20.724 1.00 0.00 C ATOM 591 O GLU A 108 -2.535 7.233 21.676 1.00 0.00 O ATOM 592 CB GLU A 108 -0.061 5.975 19.902 1.00 0.00 C ATOM 593 CG GLU A 108 1.173 5.103 20.134 1.00 0.00 C ATOM 594 CD GLU A 108 2.287 5.516 19.178 1.00 0.00 C ATOM 595 OE1 GLU A 108 2.006 6.284 18.273 1.00 0.00 O ATOM 596 OE2 GLU A 108 3.400 5.058 19.364 1.00 0.00 O ATOM 0 H GLU A 108 -1.213 3.876 19.348 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.902 5.296 21.768 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.328 5.971 18.845 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.156 7.009 20.172 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.511 5.203 21.165 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.921 4.053 19.981 1.00 0.00 H new ATOM 603 N LEU A 109 -3.133 6.480 19.643 1.00 0.00 N ATOM 604 CA LEU A 109 -4.249 7.413 19.526 1.00 0.00 C ATOM 605 C LEU A 109 -5.313 7.100 20.583 1.00 0.00 C ATOM 606 O LEU A 109 -5.920 8.006 21.152 1.00 0.00 O ATOM 607 CB LEU A 109 -4.867 7.342 18.110 1.00 0.00 C ATOM 608 CG LEU A 109 -4.192 8.352 17.162 1.00 0.00 C ATOM 609 CD1 LEU A 109 -2.740 7.948 16.903 1.00 0.00 C ATOM 610 CD2 LEU A 109 -4.952 8.376 15.835 1.00 0.00 C ATOM 0 H LEU A 109 -3.010 5.859 18.843 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.875 8.423 19.691 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.757 6.334 17.711 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.936 7.548 18.165 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.208 9.340 17.623 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.276 8.670 16.232 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.195 7.926 17.846 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.714 6.959 16.446 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.480 9.089 15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.933 7.383 15.387 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.985 8.674 16.013 1.00 0.00 H new ATOM 622 N LEU A 110 -5.536 5.816 20.835 1.00 0.00 N ATOM 623 CA LEU A 110 -6.535 5.412 21.819 1.00 0.00 C ATOM 624 C LEU A 110 -6.165 5.945 23.200 1.00 0.00 C ATOM 625 O LEU A 110 -7.011 6.481 23.919 1.00 0.00 O ATOM 626 CB LEU A 110 -6.630 3.880 21.863 1.00 0.00 C ATOM 627 CG LEU A 110 -7.674 3.428 22.898 1.00 0.00 C ATOM 628 CD1 LEU A 110 -9.063 3.973 22.523 1.00 0.00 C ATOM 629 CD2 LEU A 110 -7.711 1.895 22.926 1.00 0.00 C ATOM 0 H LEU A 110 -5.047 5.046 20.379 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.501 5.827 21.529 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.899 3.499 20.878 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.657 3.458 22.113 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.402 3.813 23.881 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.794 3.647 23.263 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.032 5.062 22.499 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.348 3.597 21.541 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.448 1.562 23.657 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.983 1.520 21.939 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.728 1.512 23.202 1.00 0.00 H new ATOM 641 N ARG A 111 -4.898 5.802 23.565 1.00 0.00 N ATOM 642 CA ARG A 111 -4.439 6.272 24.866 1.00 0.00 C ATOM 643 C ARG A 111 -4.654 7.774 24.989 1.00 0.00 C ATOM 644 O ARG A 111 -5.051 8.271 26.045 1.00 0.00 O ATOM 645 CB ARG A 111 -2.956 5.948 25.046 1.00 0.00 C ATOM 646 CG ARG A 111 -2.779 4.438 25.204 1.00 0.00 C ATOM 647 CD ARG A 111 -1.294 4.116 25.373 1.00 0.00 C ATOM 648 NE ARG A 111 -1.105 2.676 25.518 1.00 0.00 N ATOM 649 CZ ARG A 111 -1.255 2.078 26.696 1.00 0.00 C ATOM 650 NH1 ARG A 111 -1.572 2.781 27.749 1.00 0.00 N ATOM 651 NH2 ARG A 111 -1.083 0.789 26.800 1.00 0.00 N ATOM 0 H ARG A 111 -4.177 5.370 22.987 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.014 5.766 25.642 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.388 6.303 24.186 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.564 6.464 25.922 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.340 4.083 26.069 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.178 3.921 24.331 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.735 4.479 24.510 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.900 4.632 26.248 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.853 2.119 24.701 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.705 3.789 27.668 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.687 2.322 28.653 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.833 0.240 25.978 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.198 0.330 27.704 1.00 0.00 H new ATOM 665 N LYS A 112 -4.394 8.494 23.906 1.00 0.00 N ATOM 666 CA LYS A 112 -4.571 9.937 23.910 1.00 0.00 C ATOM 667 C LYS A 112 -6.038 10.281 24.146 1.00 0.00 C ATOM 668 O LYS A 112 -6.355 11.257 24.823 1.00 0.00 O ATOM 669 CB LYS A 112 -4.109 10.546 22.581 1.00 0.00 C ATOM 670 CG LYS A 112 -3.978 12.079 22.721 1.00 0.00 C ATOM 671 CD LYS A 112 -2.589 12.454 23.279 1.00 0.00 C ATOM 672 CE LYS A 112 -1.567 12.538 22.137 1.00 0.00 C ATOM 673 NZ LYS A 112 -0.202 12.717 22.706 1.00 0.00 N ATOM 0 H LYS A 112 -4.063 8.106 23.023 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.965 10.353 24.715 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.151 10.116 22.288 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.822 10.304 21.793 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.127 12.553 21.751 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.757 12.458 23.383 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.644 13.410 23.800 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.269 11.711 24.010 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.605 11.631 21.533 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.810 13.371 21.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.492 12.774 21.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.171 13.594 23.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.028 11.908 23.318 1.00 0.00 H new ATOM 687 N ALA A 113 -6.932 9.477 23.576 1.00 0.00 N ATOM 688 CA ALA A 113 -8.360 9.722 23.731 1.00 0.00 C ATOM 689 C ALA A 113 -8.740 9.682 25.206 1.00 0.00 C ATOM 690 O ALA A 113 -9.497 10.527 25.680 1.00 0.00 O ATOM 691 CB ALA A 113 -9.159 8.661 22.968 1.00 0.00 C ATOM 0 H ALA A 113 -6.696 8.662 23.010 1.00 0.00 H new ATOM 0 HA ALA A 113 -8.592 10.707 23.327 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.225 8.852 23.089 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.901 8.702 21.910 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.920 7.673 23.361 1.00 0.00 H new ATOM 697 N ILE A 114 -8.195 8.716 25.937 1.00 0.00 N ATOM 698 CA ILE A 114 -8.484 8.622 27.365 1.00 0.00 C ATOM 699 C ILE A 114 -7.967 9.874 28.086 1.00 0.00 C ATOM 700 O ILE A 114 -8.677 10.468 28.893 1.00 0.00 O ATOM 701 CB ILE A 114 -7.840 7.351 27.963 1.00 0.00 C ATOM 702 CG1 ILE A 114 -8.662 6.100 27.592 1.00 0.00 C ATOM 703 CG2 ILE A 114 -7.760 7.466 29.492 1.00 0.00 C ATOM 704 CD1 ILE A 114 -8.374 5.685 26.150 1.00 0.00 C ATOM 0 H ILE A 114 -7.564 8.001 25.576 1.00 0.00 H new ATOM 0 HA ILE A 114 -9.563 8.556 27.503 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.836 7.255 27.551 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.417 5.282 28.269 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.725 6.306 27.713 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.304 6.564 29.901 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.155 8.332 29.761 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.764 7.583 29.901 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.961 4.801 25.902 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -8.642 6.499 25.477 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -7.313 5.459 26.041 1.00 0.00 H new ATOM 716 N ALA A 115 -6.734 10.265 27.781 1.00 0.00 N ATOM 717 CA ALA A 115 -6.135 11.446 28.403 1.00 0.00 C ATOM 718 C ALA A 115 -6.915 12.708 28.039 1.00 0.00 C ATOM 719 O ALA A 115 -7.087 13.605 28.864 1.00 0.00 O ATOM 720 CB ALA A 115 -4.677 11.596 27.964 1.00 0.00 C ATOM 0 H ALA A 115 -6.131 9.787 27.112 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.172 11.313 29.484 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -4.244 12.479 28.435 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.114 10.712 28.264 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.633 11.704 26.880 1.00 0.00 H new ATOM 726 N GLU A 116 -7.378 12.768 26.797 1.00 0.00 N ATOM 727 CA GLU A 116 -8.128 13.921 26.319 1.00 0.00 C ATOM 728 C GLU A 116 -9.422 14.090 27.110 1.00 0.00 C ATOM 729 O GLU A 116 -9.889 15.209 27.317 1.00 0.00 O ATOM 730 CB GLU A 116 -8.449 13.763 24.830 1.00 0.00 C ATOM 731 CG GLU A 116 -9.136 15.031 24.318 1.00 0.00 C ATOM 732 CD GLU A 116 -9.378 14.922 22.817 1.00 0.00 C ATOM 733 OE1 GLU A 116 -9.005 13.909 22.249 1.00 0.00 O ATOM 734 OE2 GLU A 116 -9.931 15.855 22.256 1.00 0.00 O ATOM 0 H GLU A 116 -7.247 12.032 26.103 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.513 14.810 26.461 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.534 13.580 24.267 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.096 12.899 24.676 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.083 15.177 24.838 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.517 15.902 24.533 1.00 0.00 H new ATOM 741 N SER A 117 -10.008 12.979 27.541 1.00 0.00 N ATOM 742 CA SER A 117 -11.254 13.043 28.295 1.00 0.00 C ATOM 743 C SER A 117 -11.054 13.857 29.572 1.00 0.00 C ATOM 744 O SER A 117 -11.962 14.559 30.016 1.00 0.00 O ATOM 745 CB SER A 117 -11.723 11.633 28.661 1.00 0.00 C ATOM 746 OG SER A 117 -10.837 11.076 29.621 1.00 0.00 O ATOM 0 H SER A 117 -9.648 12.038 27.385 1.00 0.00 H new ATOM 0 HA SER A 117 -12.010 13.524 27.674 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.736 11.667 29.062 1.00 0.00 H new ATOM 0 HB3 SER A 117 -11.753 11.005 27.770 1.00 0.00 H new ATOM 0 HG SER A 117 -10.099 10.624 29.161 1.00 0.00 H new ATOM 752 N LEU A 118 -9.861 13.768 30.155 1.00 0.00 N ATOM 753 CA LEU A 118 -9.565 14.516 31.373 1.00 0.00 C ATOM 754 C LEU A 118 -9.522 16.019 31.087 1.00 0.00 C ATOM 755 O LEU A 118 -9.953 16.825 31.910 1.00 0.00 O ATOM 756 CB LEU A 118 -8.220 14.061 31.959 1.00 0.00 C ATOM 757 CG LEU A 118 -8.393 12.739 32.731 1.00 0.00 C ATOM 758 CD1 LEU A 118 -9.201 12.963 34.028 1.00 0.00 C ATOM 759 CD2 LEU A 118 -9.114 11.720 31.839 1.00 0.00 C ATOM 0 H LEU A 118 -9.093 13.193 29.809 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.357 14.320 32.096 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.492 13.930 31.158 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.827 14.830 32.624 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.408 12.360 33.002 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.311 12.016 34.557 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.677 13.675 34.665 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.187 13.356 33.779 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.238 10.784 32.383 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.093 12.109 31.560 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.524 11.542 30.940 1.00 0.00 H new ATOM 771 N ASN A 119 -8.990 16.389 29.922 1.00 0.00 N ATOM 772 CA ASN A 119 -8.890 17.801 29.552 1.00 0.00 C ATOM 773 C ASN A 119 -10.196 18.303 28.941 1.00 0.00 C ATOM 774 O ASN A 119 -10.439 19.508 28.878 1.00 0.00 O ATOM 775 CB ASN A 119 -7.753 17.984 28.545 1.00 0.00 C ATOM 776 CG ASN A 119 -6.410 17.759 29.231 1.00 0.00 C ATOM 777 OD1 ASN A 119 -6.302 17.905 30.449 1.00 0.00 O ATOM 778 ND2 ASN A 119 -5.375 17.397 28.522 1.00 0.00 N ATOM 0 H ASN A 119 -8.625 15.739 29.225 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.688 18.379 30.454 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.871 17.283 27.719 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -7.790 18.987 28.120 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.477 17.235 28.977 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.465 17.276 27.513 1.00 0.00 H new ATOM 785 N SER A 120 -11.034 17.370 28.500 1.00 0.00 N ATOM 786 CA SER A 120 -12.322 17.722 27.904 1.00 0.00 C ATOM 787 C SER A 120 -13.394 17.849 28.982 1.00 0.00 C ATOM 788 O SER A 120 -13.261 17.292 30.071 1.00 0.00 O ATOM 789 CB SER A 120 -12.740 16.663 26.885 1.00 0.00 C ATOM 790 OG SER A 120 -11.843 16.689 25.781 1.00 0.00 O ATOM 0 H SER A 120 -10.847 16.368 28.543 1.00 0.00 H new ATOM 0 HA SER A 120 -12.214 18.682 27.399 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.736 15.676 27.348 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.758 16.852 26.545 1.00 0.00 H new ATOM 0 HG SER A 120 -12.109 16.009 25.127 1.00 0.00 H new ATOM 796 N CYS A 121 -14.459 18.579 28.667 1.00 0.00 N ATOM 797 CA CYS A 121 -15.554 18.766 29.613 1.00 0.00 C ATOM 798 C CYS A 121 -16.395 17.493 29.696 1.00 0.00 C ATOM 799 O CYS A 121 -16.244 16.587 28.877 1.00 0.00 O ATOM 800 CB CYS A 121 -16.434 19.937 29.173 1.00 0.00 C ATOM 801 SG CYS A 121 -17.367 19.470 27.696 1.00 0.00 S ATOM 0 H CYS A 121 -14.587 19.048 27.770 1.00 0.00 H new ATOM 0 HA CYS A 121 -15.136 18.984 30.596 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.118 20.213 29.976 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -15.817 20.811 28.965 1.00 0.00 H new ATOM 0 HG CYS A 121 -18.186 18.503 27.988 1.00 0.00 H new ATOM 807 N ARG A 122 -17.264 17.420 30.700 1.00 0.00 N ATOM 808 CA ARG A 122 -18.105 16.240 30.885 1.00 0.00 C ATOM 809 C ARG A 122 -18.976 15.987 29.642 1.00 0.00 C ATOM 810 O ARG A 122 -19.355 16.939 28.958 1.00 0.00 O ATOM 811 CB ARG A 122 -18.999 16.435 32.115 1.00 0.00 C ATOM 812 CG ARG A 122 -19.701 17.794 32.032 1.00 0.00 C ATOM 813 CD ARG A 122 -20.606 17.974 33.253 1.00 0.00 C ATOM 814 NE ARG A 122 -21.228 19.294 33.237 1.00 0.00 N ATOM 815 CZ ARG A 122 -22.038 19.685 34.217 1.00 0.00 C ATOM 816 NH1 ARG A 122 -22.312 18.873 35.202 1.00 0.00 N ATOM 817 NH2 ARG A 122 -22.559 20.881 34.195 1.00 0.00 N ATOM 0 H ARG A 122 -17.404 18.156 31.392 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.460 15.374 31.034 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -19.738 15.636 32.170 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -18.401 16.379 33.024 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -18.963 18.595 31.991 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -20.290 17.856 31.117 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -21.376 17.203 33.259 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -20.024 17.851 34.166 1.00 0.00 H new ATOM 0 HE ARG A 122 -21.038 19.928 32.461 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -21.905 17.938 35.220 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -22.933 19.174 35.953 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -22.345 21.516 33.426 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -23.180 21.181 34.947 1.00 0.00 H new ATOM 831 N PRO A 123 -19.315 14.745 29.327 1.00 0.00 N ATOM 832 CA PRO A 123 -20.170 14.435 28.130 1.00 0.00 C ATOM 833 C PRO A 123 -21.488 15.213 28.138 1.00 0.00 C ATOM 834 O PRO A 123 -22.092 15.419 29.192 1.00 0.00 O ATOM 835 CB PRO A 123 -20.441 12.928 28.256 1.00 0.00 C ATOM 836 CG PRO A 123 -19.291 12.399 29.039 1.00 0.00 C ATOM 837 CD PRO A 123 -18.928 13.500 30.036 1.00 0.00 C ATOM 0 HA PRO A 123 -19.676 14.716 27.200 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -21.386 12.737 28.764 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -20.504 12.454 27.276 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -19.559 11.477 29.555 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.448 12.167 28.388 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -19.470 13.387 30.975 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.865 13.489 30.278 1.00 0.00 H new ATOM 845 N SER A 124 -21.931 15.630 26.955 1.00 0.00 N ATOM 846 CA SER A 124 -23.183 16.370 26.839 1.00 0.00 C ATOM 847 C SER A 124 -24.370 15.449 27.106 1.00 0.00 C ATOM 848 O SER A 124 -24.251 14.228 27.019 1.00 0.00 O ATOM 849 CB SER A 124 -23.307 16.969 25.437 1.00 0.00 C ATOM 850 OG SER A 124 -23.493 15.921 24.495 1.00 0.00 O ATOM 0 H SER A 124 -21.447 15.470 26.072 1.00 0.00 H new ATOM 0 HA SER A 124 -23.182 17.172 27.577 1.00 0.00 H new ATOM 0 HB2 SER A 124 -24.147 17.662 25.398 1.00 0.00 H new ATOM 0 HB3 SER A 124 -22.411 17.540 25.192 1.00 0.00 H new ATOM 0 HG SER A 124 -23.575 16.301 23.595 1.00 0.00 H new ATOM 856 N ASP A 125 -25.514 16.045 27.431 1.00 0.00 N ATOM 857 CA ASP A 125 -26.717 15.267 27.710 1.00 0.00 C ATOM 858 C ASP A 125 -27.234 14.603 26.438 1.00 0.00 C ATOM 859 O ASP A 125 -27.413 15.258 25.412 1.00 0.00 O ATOM 860 CB ASP A 125 -27.801 16.177 28.293 1.00 0.00 C ATOM 861 CG ASP A 125 -28.977 15.338 28.788 1.00 0.00 C ATOM 862 OD1 ASP A 125 -29.068 14.189 28.389 1.00 0.00 O ATOM 863 OD2 ASP A 125 -29.763 15.858 29.563 1.00 0.00 O ATOM 0 H ASP A 125 -25.633 17.055 27.507 1.00 0.00 H new ATOM 0 HA ASP A 125 -26.467 14.490 28.433 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -27.391 16.764 29.115 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -28.141 16.883 27.535 1.00 0.00 H new ATOM 868 N ALA A 126 -27.476 13.299 26.513 1.00 0.00 N ATOM 869 CA ALA A 126 -27.971 12.551 25.361 1.00 0.00 C ATOM 870 C ALA A 126 -29.316 13.104 24.896 1.00 0.00 C ATOM 871 O ALA A 126 -29.610 13.121 23.701 1.00 0.00 O ATOM 872 CB ALA A 126 -28.125 11.072 25.721 1.00 0.00 C ATOM 0 H ALA A 126 -27.339 12.739 27.355 1.00 0.00 H new ATOM 0 HA ALA A 126 -27.248 12.655 24.552 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -28.495 10.523 24.855 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -27.158 10.668 26.021 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -28.832 10.970 26.544 1.00 0.00 H new ATOM 878 N SER A 127 -30.129 13.549 25.847 1.00 0.00 N ATOM 879 CA SER A 127 -31.443 14.093 25.521 1.00 0.00 C ATOM 880 C SER A 127 -31.320 15.505 24.955 1.00 0.00 C ATOM 881 O SER A 127 -32.282 16.052 24.417 1.00 0.00 O ATOM 882 CB SER A 127 -32.317 14.119 26.775 1.00 0.00 C ATOM 883 OG SER A 127 -31.783 15.053 27.703 1.00 0.00 O ATOM 0 H SER A 127 -29.905 13.545 26.842 1.00 0.00 H new ATOM 0 HA SER A 127 -31.902 13.454 24.766 1.00 0.00 H new ATOM 0 HB2 SER A 127 -33.339 14.393 26.514 1.00 0.00 H new ATOM 0 HB3 SER A 127 -32.358 13.127 27.224 1.00 0.00 H new ATOM 0 HG SER A 127 -32.125 14.855 28.600 1.00 0.00 H new ATOM 889 N ALA A 128 -30.130 16.087 25.079 1.00 0.00 N ATOM 890 CA ALA A 128 -29.882 17.435 24.573 1.00 0.00 C ATOM 891 C ALA A 128 -30.472 18.477 25.521 1.00 0.00 C ATOM 892 O ALA A 128 -30.469 19.672 25.228 1.00 0.00 O ATOM 893 CB ALA A 128 -30.486 17.595 23.167 1.00 0.00 C ATOM 0 H ALA A 128 -29.324 15.648 25.524 1.00 0.00 H new ATOM 0 HA ALA A 128 -28.805 17.590 24.513 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -30.294 18.604 22.801 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -30.031 16.871 22.491 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -31.561 17.423 23.211 1.00 0.00 H new ATOM 899 N THR A 129 -30.978 18.012 26.660 1.00 0.00 N ATOM 900 CA THR A 129 -31.569 18.911 27.643 1.00 0.00 C ATOM 901 C THR A 129 -30.480 19.609 28.452 1.00 0.00 C ATOM 902 O THR A 129 -29.362 19.107 28.568 1.00 0.00 O ATOM 903 CB THR A 129 -32.485 18.125 28.585 1.00 0.00 C ATOM 904 OG1 THR A 129 -31.713 17.182 29.316 1.00 0.00 O ATOM 905 CG2 THR A 129 -33.552 17.391 27.770 1.00 0.00 C ATOM 0 H THR A 129 -30.990 17.026 26.922 1.00 0.00 H new ATOM 0 HA THR A 129 -32.153 19.665 27.115 1.00 0.00 H new ATOM 0 HB THR A 129 -32.970 18.813 29.277 1.00 0.00 H new ATOM 0 HG1 THR A 129 -31.283 16.559 28.694 1.00 0.00 H new ATOM 0 HG21 THR A 129 -34.203 16.832 28.442 1.00 0.00 H new ATOM 0 HG22 THR A 129 -34.144 18.115 27.210 1.00 0.00 H new ATOM 0 HG23 THR A 129 -33.070 16.702 27.076 1.00 0.00 H new ATOM 913 N ARG A 130 -30.814 20.770 29.007 1.00 0.00 N ATOM 914 CA ARG A 130 -29.853 21.528 29.802 1.00 0.00 C ATOM 915 C ARG A 130 -29.613 20.834 31.143 1.00 0.00 C ATOM 916 O ARG A 130 -30.538 20.293 31.748 1.00 0.00 O ATOM 917 CB ARG A 130 -30.379 22.960 30.031 1.00 0.00 C ATOM 918 CG ARG A 130 -29.947 23.883 28.881 1.00 0.00 C ATOM 919 CD ARG A 130 -30.568 23.409 27.565 1.00 0.00 C ATOM 920 NE ARG A 130 -30.155 24.284 26.472 1.00 0.00 N ATOM 921 CZ ARG A 130 -28.975 24.136 25.879 1.00 0.00 C ATOM 922 NH1 ARG A 130 -28.159 23.196 26.272 1.00 0.00 N ATOM 923 NH2 ARG A 130 -28.629 24.930 24.902 1.00 0.00 N ATOM 0 H ARG A 130 -31.733 21.203 28.923 1.00 0.00 H new ATOM 0 HA ARG A 130 -28.907 21.579 29.262 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -31.466 22.947 30.105 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -29.999 23.346 30.977 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -30.257 24.907 29.090 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -28.860 23.889 28.798 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -30.260 22.384 27.357 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -31.655 23.405 27.647 1.00 0.00 H new ATOM 0 HE ARG A 130 -30.784 25.023 26.158 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -28.427 22.574 27.035 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -27.254 23.083 25.816 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -29.265 25.665 24.593 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -27.723 24.815 24.448 1.00 0.00 H new ATOM 937 N SER A 131 -28.365 20.859 31.598 1.00 0.00 N ATOM 938 CA SER A 131 -28.010 20.234 32.865 1.00 0.00 C ATOM 939 C SER A 131 -28.853 20.809 34.001 1.00 0.00 C ATOM 940 O SER A 131 -28.810 20.250 35.084 1.00 0.00 O ATOM 941 CB SER A 131 -26.524 20.461 33.156 1.00 0.00 C ATOM 942 OG SER A 131 -26.085 19.518 34.125 1.00 0.00 O ATOM 943 OXT SER A 131 -29.526 21.800 33.769 1.00 0.00 O ATOM 0 H SER A 131 -27.587 21.303 31.111 1.00 0.00 H new ATOM 0 HA SER A 131 -28.206 19.164 32.793 1.00 0.00 H new ATOM 0 HB2 SER A 131 -25.942 20.356 32.240 1.00 0.00 H new ATOM 0 HB3 SER A 131 -26.364 21.476 33.521 1.00 0.00 H new ATOM 0 HG SER A 131 -26.734 19.476 34.858 1.00 0.00 H new TER 949 SER A 131