USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 688 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 24 THR OG1 : rot -64:sc= 0.00429 USER MOD Set 1.2: A 66 CYS SG : rot -13:sc= -0.235 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.152 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 7:sc= 0.413 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -72:sc= 0.136 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -170:sc= 0 (180deg=-0.104) USER MOD Single : A 27 SER OG : rot -100:sc= 2.48 USER MOD Single : A 32 GLN : amide:sc=-0.00758 X(o=-0.0076,f=-0.0076) USER MOD Single : A 35 SER OG : rot 180:sc= 0.109 USER MOD Single : A 36 CYS SG : rot -170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.597 K(o=0.6,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0.828 (180deg=0.821) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 51 SER OG : rot 42:sc= 0.839 USER MOD Single : A 52 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.75) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.716 K(o=0.72,f=-0.35) USER MOD Single : A 63 MET CE :methyl 164:sc= -0.215 (180deg=-0.934) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 74 SER OG : rot 170:sc= -0.0609 USER MOD Single : A 78 GLN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 84 SER OG : rot -117:sc= 1.13 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.053 -44.197 -16.933 1.00 0.00 N ATOM 2 CA GLY A 1 8.965 -43.315 -16.477 1.00 0.00 C ATOM 3 C GLY A 1 8.989 -42.070 -17.337 1.00 0.00 C ATOM 4 O GLY A 1 9.346 -42.196 -18.505 1.00 0.00 O ATOM 0 H1 GLY A 1 9.688 -45.163 -17.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.425 -43.849 -17.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.815 -44.202 -16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.003 -43.820 -16.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.097 -43.056 -15.426 1.00 0.00 H new ATOM 8 N SER A 2 8.575 -40.913 -16.811 1.00 0.00 N ATOM 9 CA SER A 2 8.614 -39.680 -17.595 1.00 0.00 C ATOM 10 C SER A 2 10.088 -39.269 -17.768 1.00 0.00 C ATOM 11 O SER A 2 10.986 -39.891 -17.188 1.00 0.00 O ATOM 12 CB SER A 2 7.783 -38.587 -16.906 1.00 0.00 C ATOM 13 OG SER A 2 7.462 -37.579 -17.839 1.00 0.00 O ATOM 0 H SER A 2 8.215 -40.807 -15.862 1.00 0.00 H new ATOM 0 HA SER A 2 8.174 -39.832 -18.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.871 -39.016 -16.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.343 -38.161 -16.073 1.00 0.00 H new ATOM 0 HG SER A 2 6.930 -36.883 -17.399 1.00 0.00 H new ATOM 19 N SER A 3 10.356 -38.266 -18.597 1.00 0.00 N ATOM 20 CA SER A 3 11.675 -37.715 -18.894 1.00 0.00 C ATOM 21 C SER A 3 11.478 -36.296 -19.443 1.00 0.00 C ATOM 22 O SER A 3 10.343 -35.877 -19.671 1.00 0.00 O ATOM 23 CB SER A 3 12.401 -38.617 -19.905 1.00 0.00 C ATOM 24 OG SER A 3 12.655 -39.891 -19.341 1.00 0.00 O ATOM 0 H SER A 3 9.616 -37.787 -19.110 1.00 0.00 H new ATOM 0 HA SER A 3 12.293 -37.672 -17.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.795 -38.725 -20.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.340 -38.153 -20.207 1.00 0.00 H new ATOM 0 HG SER A 3 12.215 -39.956 -18.468 1.00 0.00 H new ATOM 30 N GLY A 4 12.562 -35.554 -19.655 1.00 0.00 N ATOM 31 CA GLY A 4 12.533 -34.196 -20.175 1.00 0.00 C ATOM 32 C GLY A 4 13.955 -33.767 -20.520 1.00 0.00 C ATOM 33 O GLY A 4 14.893 -34.543 -20.332 1.00 0.00 O ATOM 0 H GLY A 4 13.506 -35.891 -19.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.899 -34.145 -21.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.104 -33.519 -19.436 1.00 0.00 H new ATOM 37 N SER A 5 14.106 -32.559 -21.054 1.00 0.00 N ATOM 38 CA SER A 5 15.400 -31.987 -21.434 1.00 0.00 C ATOM 39 C SER A 5 15.412 -30.453 -21.340 1.00 0.00 C ATOM 40 O SER A 5 16.461 -29.837 -21.528 1.00 0.00 O ATOM 41 CB SER A 5 15.798 -32.476 -22.838 1.00 0.00 C ATOM 42 OG SER A 5 14.684 -32.610 -23.707 1.00 0.00 O ATOM 0 H SER A 5 13.320 -31.936 -21.240 1.00 0.00 H new ATOM 0 HA SER A 5 16.145 -32.337 -20.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.511 -31.776 -23.273 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.305 -33.437 -22.753 1.00 0.00 H new ATOM 0 HG SER A 5 14.989 -32.921 -24.585 1.00 0.00 H new ATOM 48 N SER A 6 14.263 -29.822 -21.093 1.00 0.00 N ATOM 49 CA SER A 6 14.125 -28.385 -20.961 1.00 0.00 C ATOM 50 C SER A 6 14.631 -27.943 -19.581 1.00 0.00 C ATOM 51 O SER A 6 14.788 -28.756 -18.670 1.00 0.00 O ATOM 52 CB SER A 6 12.648 -27.999 -21.178 1.00 0.00 C ATOM 53 OG SER A 6 11.760 -29.111 -21.143 1.00 0.00 O ATOM 0 H SER A 6 13.380 -30.319 -20.977 1.00 0.00 H new ATOM 0 HA SER A 6 14.726 -27.874 -21.713 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.351 -27.283 -20.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.550 -27.496 -22.140 1.00 0.00 H new ATOM 0 HG SER A 6 11.875 -29.647 -21.955 1.00 0.00 H new ATOM 59 N GLY A 7 14.893 -26.643 -19.438 1.00 0.00 N ATOM 60 CA GLY A 7 15.367 -26.024 -18.208 1.00 0.00 C ATOM 61 C GLY A 7 14.273 -25.145 -17.609 1.00 0.00 C ATOM 62 O GLY A 7 13.139 -25.138 -18.097 1.00 0.00 O ATOM 0 H GLY A 7 14.776 -25.975 -20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.658 -26.794 -17.493 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.255 -25.425 -18.411 1.00 0.00 H new ATOM 66 N PHE A 8 14.658 -24.343 -16.609 1.00 0.00 N ATOM 67 CA PHE A 8 13.820 -23.413 -15.853 1.00 0.00 C ATOM 68 C PHE A 8 12.876 -24.219 -14.957 1.00 0.00 C ATOM 69 O PHE A 8 11.721 -24.462 -15.312 1.00 0.00 O ATOM 70 CB PHE A 8 13.059 -22.394 -16.730 1.00 0.00 C ATOM 71 CG PHE A 8 13.874 -21.392 -17.529 1.00 0.00 C ATOM 72 CD1 PHE A 8 14.669 -21.807 -18.616 1.00 0.00 C ATOM 73 CD2 PHE A 8 13.776 -20.018 -17.231 1.00 0.00 C ATOM 74 CE1 PHE A 8 15.401 -20.867 -19.360 1.00 0.00 C ATOM 75 CE2 PHE A 8 14.496 -19.078 -17.988 1.00 0.00 C ATOM 76 CZ PHE A 8 15.318 -19.504 -19.040 1.00 0.00 C ATOM 0 H PHE A 8 15.626 -24.328 -16.288 1.00 0.00 H new ATOM 0 HA PHE A 8 14.478 -22.796 -15.241 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.439 -22.954 -17.430 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.384 -21.835 -16.082 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.716 -22.854 -18.878 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.146 -19.687 -16.419 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.027 -21.193 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.416 -18.026 -17.759 1.00 0.00 H new ATOM 0 HZ PHE A 8 15.888 -18.782 -19.605 1.00 0.00 H new ATOM 86 N GLU A 9 13.364 -24.670 -13.802 1.00 0.00 N ATOM 87 CA GLU A 9 12.587 -25.455 -12.849 1.00 0.00 C ATOM 88 C GLU A 9 11.791 -24.565 -11.882 1.00 0.00 C ATOM 89 O GLU A 9 12.165 -23.402 -11.663 1.00 0.00 O ATOM 90 CB GLU A 9 13.557 -26.254 -11.972 1.00 0.00 C ATOM 91 CG GLU A 9 14.269 -27.420 -12.657 1.00 0.00 C ATOM 92 CD GLU A 9 15.191 -28.049 -11.617 1.00 0.00 C ATOM 93 OE1 GLU A 9 14.735 -28.904 -10.824 1.00 0.00 O ATOM 94 OE2 GLU A 9 16.315 -27.527 -11.434 1.00 0.00 O ATOM 0 H GLU A 9 14.323 -24.497 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 9 11.906 -26.081 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.312 -25.571 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.006 -26.642 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.548 -28.150 -13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.839 -27.072 -13.518 1.00 0.00 H new ATOM 101 N PRO A 10 10.737 -25.106 -11.242 1.00 0.00 N ATOM 102 CA PRO A 10 9.935 -24.394 -10.259 1.00 0.00 C ATOM 103 C PRO A 10 10.656 -24.599 -8.909 1.00 0.00 C ATOM 104 O PRO A 10 10.108 -25.219 -7.997 1.00 0.00 O ATOM 105 CB PRO A 10 8.564 -25.083 -10.332 1.00 0.00 C ATOM 106 CG PRO A 10 8.929 -26.549 -10.579 1.00 0.00 C ATOM 107 CD PRO A 10 10.196 -26.453 -11.431 1.00 0.00 C ATOM 0 HA PRO A 10 9.809 -23.322 -10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.999 -24.958 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.951 -24.678 -11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.110 -27.082 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.132 -27.080 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.923 -27.207 -11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.969 -26.634 -12.482 1.00 0.00 H new ATOM 115 N ARG A 11 11.900 -24.117 -8.783 1.00 0.00 N ATOM 116 CA ARG A 11 12.740 -24.256 -7.589 1.00 0.00 C ATOM 117 C ARG A 11 11.979 -23.956 -6.297 1.00 0.00 C ATOM 118 O ARG A 11 11.189 -23.007 -6.234 1.00 0.00 O ATOM 119 CB ARG A 11 13.997 -23.373 -7.716 1.00 0.00 C ATOM 120 CG ARG A 11 15.048 -23.746 -6.657 1.00 0.00 C ATOM 121 CD ARG A 11 16.207 -22.757 -6.556 1.00 0.00 C ATOM 122 NE ARG A 11 17.054 -23.101 -5.407 1.00 0.00 N ATOM 123 CZ ARG A 11 18.116 -22.419 -4.974 1.00 0.00 C ATOM 124 NH1 ARG A 11 18.604 -21.406 -5.680 1.00 0.00 N ATOM 125 NH2 ARG A 11 18.673 -22.763 -3.823 1.00 0.00 N ATOM 0 H ARG A 11 12.362 -23.604 -9.534 1.00 0.00 H new ATOM 0 HA ARG A 11 13.048 -25.300 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.425 -23.486 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.721 -22.324 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.560 -23.818 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.446 -24.734 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.796 -22.778 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.823 -21.743 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 11 16.806 -23.944 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.167 -21.142 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.416 -20.892 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.290 -23.538 -3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.485 -22.253 -3.477 1.00 0.00 H new ATOM 139 N SER A 12 12.181 -24.776 -5.270 1.00 0.00 N ATOM 140 CA SER A 12 11.529 -24.579 -3.988 1.00 0.00 C ATOM 141 C SER A 12 12.349 -23.588 -3.162 1.00 0.00 C ATOM 142 O SER A 12 13.573 -23.514 -3.300 1.00 0.00 O ATOM 143 CB SER A 12 11.401 -25.919 -3.264 1.00 0.00 C ATOM 144 OG SER A 12 10.324 -25.866 -2.344 1.00 0.00 O ATOM 0 H SER A 12 12.797 -25.588 -5.306 1.00 0.00 H new ATOM 0 HA SER A 12 10.527 -24.175 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.236 -26.719 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.328 -26.150 -2.740 1.00 0.00 H new ATOM 0 HG SER A 12 10.244 -26.727 -1.883 1.00 0.00 H new ATOM 150 N LEU A 13 11.684 -22.835 -2.284 1.00 0.00 N ATOM 151 CA LEU A 13 12.329 -21.856 -1.412 1.00 0.00 C ATOM 152 C LEU A 13 12.796 -22.563 -0.125 1.00 0.00 C ATOM 153 O LEU A 13 12.824 -23.799 -0.065 1.00 0.00 O ATOM 154 CB LEU A 13 11.350 -20.694 -1.153 1.00 0.00 C ATOM 155 CG LEU A 13 12.059 -19.364 -0.817 1.00 0.00 C ATOM 156 CD1 LEU A 13 12.595 -18.681 -2.075 1.00 0.00 C ATOM 157 CD2 LEU A 13 11.091 -18.425 -0.110 1.00 0.00 C ATOM 0 H LEU A 13 10.673 -22.889 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 13 13.216 -21.426 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.724 -20.552 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.687 -20.963 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 13 12.902 -19.593 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.088 -17.748 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.311 -19.338 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.769 -18.469 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.598 -17.489 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.239 -18.224 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.742 -18.889 0.812 1.00 0.00 H new ATOM 169 N ILE A 14 13.214 -21.814 0.892 1.00 0.00 N ATOM 170 CA ILE A 14 13.680 -22.272 2.195 1.00 0.00 C ATOM 171 C ILE A 14 13.212 -21.248 3.234 1.00 0.00 C ATOM 172 O ILE A 14 12.905 -20.102 2.883 1.00 0.00 O ATOM 173 CB ILE A 14 15.218 -22.430 2.216 1.00 0.00 C ATOM 174 CG1 ILE A 14 15.954 -21.124 1.835 1.00 0.00 C ATOM 175 CG2 ILE A 14 15.635 -23.604 1.314 1.00 0.00 C ATOM 176 CD1 ILE A 14 17.467 -21.205 2.058 1.00 0.00 C ATOM 0 H ILE A 14 13.237 -20.797 0.820 1.00 0.00 H new ATOM 0 HA ILE A 14 13.267 -23.255 2.421 1.00 0.00 H new ATOM 0 HB ILE A 14 15.518 -22.652 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.758 -20.895 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.549 -20.300 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.720 -23.710 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.174 -24.523 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.307 -23.412 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.928 -20.259 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.670 -21.405 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.882 -22.009 1.450 1.00 0.00 H new ATOM 188 N THR A 15 13.153 -21.644 4.504 1.00 0.00 N ATOM 189 CA THR A 15 12.731 -20.739 5.563 1.00 0.00 C ATOM 190 C THR A 15 13.840 -19.707 5.835 1.00 0.00 C ATOM 191 O THR A 15 15.038 -19.989 5.660 1.00 0.00 O ATOM 192 CB THR A 15 12.304 -21.540 6.804 1.00 0.00 C ATOM 193 OG1 THR A 15 13.280 -22.486 7.211 1.00 0.00 O ATOM 194 CG2 THR A 15 11.007 -22.316 6.568 1.00 0.00 C ATOM 0 H THR A 15 13.392 -22.584 4.821 1.00 0.00 H new ATOM 0 HA THR A 15 11.852 -20.173 5.256 1.00 0.00 H new ATOM 0 HB THR A 15 12.168 -20.788 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.960 -22.966 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.743 -22.867 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.206 -21.619 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.146 -23.015 5.744 1.00 0.00 H new ATOM 202 N SER A 16 13.445 -18.515 6.275 1.00 0.00 N ATOM 203 CA SER A 16 14.327 -17.394 6.585 1.00 0.00 C ATOM 204 C SER A 16 13.523 -16.337 7.348 1.00 0.00 C ATOM 205 O SER A 16 12.298 -16.433 7.446 1.00 0.00 O ATOM 206 CB SER A 16 14.925 -16.832 5.282 1.00 0.00 C ATOM 207 OG SER A 16 13.968 -16.784 4.249 1.00 0.00 O ATOM 0 H SER A 16 12.461 -18.295 6.432 1.00 0.00 H new ATOM 0 HA SER A 16 15.158 -17.716 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.316 -15.831 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.766 -17.451 4.971 1.00 0.00 H new ATOM 0 HG SER A 16 14.380 -16.421 3.438 1.00 0.00 H new ATOM 213 N ASP A 17 14.189 -15.340 7.922 1.00 0.00 N ATOM 214 CA ASP A 17 13.555 -14.267 8.686 1.00 0.00 C ATOM 215 C ASP A 17 12.960 -13.192 7.755 1.00 0.00 C ATOM 216 O ASP A 17 13.100 -13.264 6.531 1.00 0.00 O ATOM 217 CB ASP A 17 14.595 -13.671 9.652 1.00 0.00 C ATOM 218 CG ASP A 17 13.929 -13.050 10.879 1.00 0.00 C ATOM 219 OD1 ASP A 17 13.465 -11.886 10.816 1.00 0.00 O ATOM 220 OD2 ASP A 17 13.805 -13.747 11.907 1.00 0.00 O ATOM 0 H ASP A 17 15.204 -15.252 7.869 1.00 0.00 H new ATOM 0 HA ASP A 17 12.722 -14.671 9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.288 -14.451 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 15.183 -12.914 9.133 1.00 0.00 H new ATOM 225 N LYS A 18 12.288 -12.195 8.334 1.00 0.00 N ATOM 226 CA LYS A 18 11.633 -11.034 7.728 1.00 0.00 C ATOM 227 C LYS A 18 10.978 -11.290 6.364 1.00 0.00 C ATOM 228 O LYS A 18 11.227 -10.566 5.399 1.00 0.00 O ATOM 229 CB LYS A 18 12.611 -9.842 7.728 1.00 0.00 C ATOM 230 CG LYS A 18 11.860 -8.499 7.700 1.00 0.00 C ATOM 231 CD LYS A 18 12.791 -7.292 7.550 1.00 0.00 C ATOM 232 CE LYS A 18 13.803 -7.117 8.691 1.00 0.00 C ATOM 233 NZ LYS A 18 13.172 -6.895 10.008 1.00 0.00 N ATOM 0 H LYS A 18 12.178 -12.180 9.348 1.00 0.00 H new ATOM 0 HA LYS A 18 10.773 -10.789 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.243 -9.888 8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.270 -9.910 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.148 -8.505 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.283 -8.393 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.336 -7.385 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.185 -6.389 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.435 -8.003 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.455 -6.274 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.910 -6.785 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.590 -6.034 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.571 -7.710 10.247 1.00 0.00 H new ATOM 247 N GLY A 19 10.090 -12.281 6.280 1.00 0.00 N ATOM 248 CA GLY A 19 9.378 -12.611 5.048 1.00 0.00 C ATOM 249 C GLY A 19 8.133 -11.733 4.911 1.00 0.00 C ATOM 250 O GLY A 19 7.040 -12.239 4.652 1.00 0.00 O ATOM 0 H GLY A 19 9.844 -12.879 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.033 -12.464 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.092 -13.663 5.054 1.00 0.00 H new ATOM 254 N PHE A 20 8.273 -10.431 5.163 1.00 0.00 N ATOM 255 CA PHE A 20 7.226 -9.422 5.110 1.00 0.00 C ATOM 256 C PHE A 20 7.758 -8.203 4.376 1.00 0.00 C ATOM 257 O PHE A 20 8.958 -7.925 4.429 1.00 0.00 O ATOM 258 CB PHE A 20 6.828 -9.019 6.536 1.00 0.00 C ATOM 259 CG PHE A 20 5.853 -9.960 7.190 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.481 -9.837 6.902 1.00 0.00 C ATOM 261 CD2 PHE A 20 6.310 -10.956 8.070 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.568 -10.744 7.462 1.00 0.00 C ATOM 263 CE2 PHE A 20 5.392 -11.839 8.657 1.00 0.00 C ATOM 264 CZ PHE A 20 4.027 -11.739 8.343 1.00 0.00 C ATOM 0 H PHE A 20 9.175 -10.034 5.425 1.00 0.00 H new ATOM 0 HA PHE A 20 6.355 -9.822 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.727 -8.960 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.392 -8.020 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.132 -9.048 6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.363 -11.041 8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.518 -10.678 7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.734 -12.594 9.349 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.324 -12.432 8.782 1.00 0.00 H new ATOM 274 N VAL A 21 6.855 -7.449 3.763 1.00 0.00 N ATOM 275 CA VAL A 21 7.151 -6.251 2.998 1.00 0.00 C ATOM 276 C VAL A 21 6.050 -5.236 3.272 1.00 0.00 C ATOM 277 O VAL A 21 4.941 -5.591 3.694 1.00 0.00 O ATOM 278 CB VAL A 21 7.303 -6.698 1.525 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.006 -7.248 0.905 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.871 -5.617 0.614 1.00 0.00 C ATOM 0 H VAL A 21 5.859 -7.666 3.788 1.00 0.00 H new ATOM 0 HA VAL A 21 8.079 -5.750 3.273 1.00 0.00 H new ATOM 0 HB VAL A 21 8.025 -7.513 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.192 -7.540 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.671 -8.116 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.235 -6.478 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.949 -6.002 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.211 -4.749 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.860 -5.325 0.968 1.00 0.00 H new ATOM 290 N THR A 22 6.379 -3.960 3.142 1.00 0.00 N ATOM 291 CA THR A 22 5.443 -2.876 3.361 1.00 0.00 C ATOM 292 C THR A 22 4.921 -2.465 1.983 1.00 0.00 C ATOM 293 O THR A 22 5.637 -2.579 0.986 1.00 0.00 O ATOM 294 CB THR A 22 6.165 -1.707 4.043 1.00 0.00 C ATOM 295 OG1 THR A 22 7.184 -2.117 4.941 1.00 0.00 O ATOM 296 CG2 THR A 22 5.191 -0.798 4.808 1.00 0.00 C ATOM 0 H THR A 22 7.314 -3.648 2.879 1.00 0.00 H new ATOM 0 HA THR A 22 4.618 -3.177 4.007 1.00 0.00 H new ATOM 0 HB THR A 22 6.627 -1.158 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.605 -1.327 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.744 0.016 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.457 -0.387 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.680 -1.378 5.577 1.00 0.00 H new ATOM 304 N MET A 23 3.688 -1.980 1.919 1.00 0.00 N ATOM 305 CA MET A 23 3.042 -1.534 0.696 1.00 0.00 C ATOM 306 C MET A 23 2.452 -0.164 0.981 1.00 0.00 C ATOM 307 O MET A 23 1.845 0.026 2.041 1.00 0.00 O ATOM 308 CB MET A 23 1.944 -2.538 0.321 1.00 0.00 C ATOM 309 CG MET A 23 2.469 -3.677 -0.552 1.00 0.00 C ATOM 310 SD MET A 23 2.583 -3.216 -2.297 1.00 0.00 S ATOM 311 CE MET A 23 2.886 -4.824 -3.056 1.00 0.00 C ATOM 0 H MET A 23 3.094 -1.884 2.742 1.00 0.00 H new ATOM 0 HA MET A 23 3.742 -1.471 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.508 -2.952 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.145 -2.018 -0.207 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.453 -3.980 -0.195 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.812 -4.541 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.155 -4.687 -4.103 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.702 -5.325 -2.534 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.985 -5.433 -2.990 1.00 0.00 H new ATOM 321 N THR A 24 2.640 0.786 0.069 1.00 0.00 N ATOM 322 CA THR A 24 2.126 2.146 0.166 1.00 0.00 C ATOM 323 C THR A 24 1.048 2.290 -0.914 1.00 0.00 C ATOM 324 O THR A 24 1.180 1.702 -1.991 1.00 0.00 O ATOM 325 CB THR A 24 3.247 3.179 -0.052 1.00 0.00 C ATOM 326 OG1 THR A 24 4.529 2.775 0.396 1.00 0.00 O ATOM 327 CG2 THR A 24 2.955 4.471 0.701 1.00 0.00 C ATOM 0 H THR A 24 3.172 0.623 -0.786 1.00 0.00 H new ATOM 0 HA THR A 24 1.715 2.329 1.159 1.00 0.00 H new ATOM 0 HB THR A 24 3.264 3.302 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.512 2.651 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.763 5.183 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.016 4.895 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.877 4.261 1.768 1.00 0.00 H new ATOM 335 N LEU A 25 -0.007 3.061 -0.647 1.00 0.00 N ATOM 336 CA LEU A 25 -1.100 3.285 -1.583 1.00 0.00 C ATOM 337 C LEU A 25 -1.515 4.757 -1.491 1.00 0.00 C ATOM 338 O LEU A 25 -2.051 5.189 -0.472 1.00 0.00 O ATOM 339 CB LEU A 25 -2.238 2.305 -1.268 1.00 0.00 C ATOM 340 CG LEU A 25 -3.352 2.337 -2.320 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.991 1.531 -3.566 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.657 1.791 -1.731 1.00 0.00 C ATOM 0 H LEU A 25 -0.124 3.553 0.239 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.803 3.094 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.834 1.295 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.659 2.544 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.481 3.379 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.810 1.583 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.088 1.943 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.817 0.491 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.439 1.820 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.506 0.762 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.955 2.402 -0.879 1.00 0.00 H new ATOM 354 N GLU A 26 -1.188 5.533 -2.519 1.00 0.00 N ATOM 355 CA GLU A 26 -1.459 6.966 -2.665 1.00 0.00 C ATOM 356 C GLU A 26 -2.833 7.197 -3.305 1.00 0.00 C ATOM 357 O GLU A 26 -3.218 6.397 -4.153 1.00 0.00 O ATOM 358 CB GLU A 26 -0.394 7.524 -3.621 1.00 0.00 C ATOM 359 CG GLU A 26 1.013 7.592 -3.017 1.00 0.00 C ATOM 360 CD GLU A 26 2.059 7.752 -4.121 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.332 8.892 -4.560 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.651 6.732 -4.553 1.00 0.00 O ATOM 0 H GLU A 26 -0.694 5.156 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.440 7.448 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.364 6.904 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.692 8.524 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.077 8.429 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.214 6.686 -2.445 1.00 0.00 H new ATOM 369 N SER A 27 -3.525 8.299 -2.983 1.00 0.00 N ATOM 370 CA SER A 27 -4.847 8.644 -3.531 1.00 0.00 C ATOM 371 C SER A 27 -4.826 9.963 -4.321 1.00 0.00 C ATOM 372 O SER A 27 -3.813 10.665 -4.339 1.00 0.00 O ATOM 373 CB SER A 27 -5.888 8.779 -2.410 1.00 0.00 C ATOM 374 OG SER A 27 -5.576 8.035 -1.252 1.00 0.00 O ATOM 0 H SER A 27 -3.175 8.991 -2.320 1.00 0.00 H new ATOM 0 HA SER A 27 -5.115 7.830 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.984 9.831 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.859 8.457 -2.787 1.00 0.00 H new ATOM 0 HG SER A 27 -6.091 7.201 -1.250 1.00 0.00 H new ATOM 380 N LEU A 28 -5.965 10.319 -4.936 1.00 0.00 N ATOM 381 CA LEU A 28 -6.137 11.544 -5.721 1.00 0.00 C ATOM 382 C LEU A 28 -6.301 12.783 -4.841 1.00 0.00 C ATOM 383 O LEU A 28 -5.844 13.862 -5.219 1.00 0.00 O ATOM 384 CB LEU A 28 -7.411 11.463 -6.591 1.00 0.00 C ATOM 385 CG LEU A 28 -7.316 10.599 -7.859 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.693 10.584 -8.539 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.285 11.140 -8.852 1.00 0.00 C ATOM 0 H LEU A 28 -6.809 9.748 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.236 11.630 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.223 11.077 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.688 12.475 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.001 9.598 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.646 9.975 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.431 10.164 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.980 11.602 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.254 10.496 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.564 12.150 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.302 11.159 -8.382 1.00 0.00 H new ATOM 399 N GLU A 29 -6.978 12.667 -3.696 1.00 0.00 N ATOM 400 CA GLU A 29 -7.222 13.776 -2.783 1.00 0.00 C ATOM 401 C GLU A 29 -7.193 13.274 -1.334 1.00 0.00 C ATOM 402 O GLU A 29 -7.059 12.074 -1.075 1.00 0.00 O ATOM 403 CB GLU A 29 -8.557 14.420 -3.202 1.00 0.00 C ATOM 404 CG GLU A 29 -8.893 15.771 -2.549 1.00 0.00 C ATOM 405 CD GLU A 29 -10.139 16.429 -3.154 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.392 16.257 -4.373 1.00 0.00 O ATOM 407 OE2 GLU A 29 -10.868 17.128 -2.413 1.00 0.00 O ATOM 0 H GLU A 29 -7.376 11.784 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.446 14.540 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.548 14.555 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.361 13.720 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.048 15.624 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.043 16.444 -2.659 1.00 0.00 H new ATOM 414 N GLU A 30 -7.274 14.200 -0.385 1.00 0.00 N ATOM 415 CA GLU A 30 -7.261 13.946 1.043 1.00 0.00 C ATOM 416 C GLU A 30 -8.479 13.109 1.459 1.00 0.00 C ATOM 417 O GLU A 30 -9.579 13.310 0.927 1.00 0.00 O ATOM 418 CB GLU A 30 -7.241 15.306 1.757 1.00 0.00 C ATOM 419 CG GLU A 30 -6.949 15.198 3.256 1.00 0.00 C ATOM 420 CD GLU A 30 -6.832 16.583 3.886 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.876 17.242 4.113 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.696 17.054 4.136 1.00 0.00 O ATOM 0 H GLU A 30 -7.354 15.193 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.378 13.370 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.488 15.942 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.204 15.797 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.744 14.636 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.024 14.643 3.412 1.00 0.00 H new ATOM 429 N ILE A 31 -8.309 12.221 2.439 1.00 0.00 N ATOM 430 CA ILE A 31 -9.358 11.345 2.968 1.00 0.00 C ATOM 431 C ILE A 31 -9.642 11.645 4.442 1.00 0.00 C ATOM 432 O ILE A 31 -8.820 12.236 5.150 1.00 0.00 O ATOM 433 CB ILE A 31 -8.978 9.856 2.784 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.602 9.524 3.414 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.061 9.484 1.292 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.351 8.030 3.633 1.00 0.00 C ATOM 0 H ILE A 31 -7.410 12.086 2.902 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.268 11.542 2.401 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.696 9.239 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.816 9.922 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.521 10.038 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.793 8.435 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.077 9.646 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.371 10.107 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.366 7.888 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.112 7.627 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.396 7.509 2.676 1.00 0.00 H new ATOM 448 N GLN A 32 -10.815 11.211 4.914 1.00 0.00 N ATOM 449 CA GLN A 32 -11.217 11.396 6.301 1.00 0.00 C ATOM 450 C GLN A 32 -10.328 10.492 7.159 1.00 0.00 C ATOM 451 O GLN A 32 -9.621 10.991 8.031 1.00 0.00 O ATOM 452 CB GLN A 32 -12.710 11.079 6.509 1.00 0.00 C ATOM 453 CG GLN A 32 -13.668 12.243 6.200 1.00 0.00 C ATOM 454 CD GLN A 32 -13.709 12.623 4.724 1.00 0.00 C ATOM 455 OE1 GLN A 32 -14.439 12.023 3.934 1.00 0.00 O ATOM 456 NE2 GLN A 32 -12.915 13.597 4.319 1.00 0.00 N ATOM 0 H GLN A 32 -11.506 10.724 4.343 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.090 12.439 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.978 10.230 5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.860 10.769 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.673 11.972 6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.368 13.114 6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.318 14.081 4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.898 13.866 3.335 1.00 0.00 H new ATOM 465 N ASP A 33 -10.366 9.176 6.936 1.00 0.00 N ATOM 466 CA ASP A 33 -9.561 8.210 7.681 1.00 0.00 C ATOM 467 C ASP A 33 -9.445 6.913 6.868 1.00 0.00 C ATOM 468 O ASP A 33 -9.988 6.823 5.762 1.00 0.00 O ATOM 469 CB ASP A 33 -10.149 7.969 9.081 1.00 0.00 C ATOM 470 CG ASP A 33 -9.056 7.533 10.053 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.391 8.414 10.641 1.00 0.00 O ATOM 472 OD2 ASP A 33 -8.864 6.305 10.211 1.00 0.00 O ATOM 0 H ASP A 33 -10.962 8.749 6.227 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.558 8.609 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.624 8.880 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.924 7.204 9.030 1.00 0.00 H new ATOM 477 N VAL A 34 -8.761 5.893 7.394 1.00 0.00 N ATOM 478 CA VAL A 34 -8.532 4.595 6.749 1.00 0.00 C ATOM 479 C VAL A 34 -9.805 3.908 6.246 1.00 0.00 C ATOM 480 O VAL A 34 -9.747 3.093 5.323 1.00 0.00 O ATOM 481 CB VAL A 34 -7.759 3.663 7.700 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.443 4.296 8.169 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.587 3.224 8.914 1.00 0.00 C ATOM 0 H VAL A 34 -8.334 5.950 8.318 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.939 4.802 5.858 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.535 2.771 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.927 3.608 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.812 4.505 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.654 5.226 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.987 2.569 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.889 4.102 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.474 2.689 8.575 1.00 0.00 H new ATOM 493 N SER A 35 -10.962 4.227 6.827 1.00 0.00 N ATOM 494 CA SER A 35 -12.247 3.668 6.443 1.00 0.00 C ATOM 495 C SER A 35 -12.589 3.994 4.976 1.00 0.00 C ATOM 496 O SER A 35 -13.480 3.362 4.402 1.00 0.00 O ATOM 497 CB SER A 35 -13.306 4.108 7.461 1.00 0.00 C ATOM 498 OG SER A 35 -13.030 5.386 8.024 1.00 0.00 O ATOM 0 H SER A 35 -11.027 4.896 7.594 1.00 0.00 H new ATOM 0 HA SER A 35 -12.212 2.579 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.282 4.132 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.365 3.369 8.260 1.00 0.00 H new ATOM 0 HG SER A 35 -13.734 5.621 8.664 1.00 0.00 H new ATOM 504 N CYS A 36 -11.922 4.979 4.361 1.00 0.00 N ATOM 505 CA CYS A 36 -12.122 5.333 2.964 1.00 0.00 C ATOM 506 C CYS A 36 -11.449 4.231 2.129 1.00 0.00 C ATOM 507 O CYS A 36 -12.082 3.617 1.266 1.00 0.00 O ATOM 508 CB CYS A 36 -11.488 6.702 2.665 1.00 0.00 C ATOM 509 SG CYS A 36 -12.435 8.039 3.448 1.00 0.00 S ATOM 0 H CYS A 36 -11.223 5.554 4.831 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.183 5.408 2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.460 6.718 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.449 6.862 1.587 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.007 9.187 3.012 1.00 0.00 H new ATOM 515 N ALA A 37 -10.167 3.968 2.418 1.00 0.00 N ATOM 516 CA ALA A 37 -9.334 2.976 1.752 1.00 0.00 C ATOM 517 C ALA A 37 -9.930 1.570 1.862 1.00 0.00 C ATOM 518 O ALA A 37 -10.077 0.887 0.848 1.00 0.00 O ATOM 519 CB ALA A 37 -7.921 3.010 2.347 1.00 0.00 C ATOM 0 H ALA A 37 -9.668 4.466 3.155 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.288 3.225 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.298 2.267 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.490 4.001 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.969 2.786 3.413 1.00 0.00 H new ATOM 525 N TRP A 38 -10.323 1.134 3.066 1.00 0.00 N ATOM 526 CA TRP A 38 -10.898 -0.197 3.286 1.00 0.00 C ATOM 527 C TRP A 38 -12.064 -0.504 2.345 1.00 0.00 C ATOM 528 O TRP A 38 -12.146 -1.617 1.822 1.00 0.00 O ATOM 529 CB TRP A 38 -11.344 -0.355 4.743 1.00 0.00 C ATOM 530 CG TRP A 38 -10.275 -0.831 5.669 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.702 -0.124 6.663 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.660 -2.150 5.710 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.784 -0.923 7.315 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.687 -2.171 6.747 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.821 -3.335 4.965 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.892 -3.298 7.006 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -9.031 -4.471 5.215 1.00 0.00 C ATOM 538 CH2 TRP A 38 -8.052 -4.452 6.222 1.00 0.00 C ATOM 0 H TRP A 38 -10.251 1.695 3.915 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.110 -0.917 3.065 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.717 0.604 5.102 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.178 -1.056 4.781 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.925 0.903 6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.241 -0.622 8.124 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.567 -3.372 4.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.163 -3.278 7.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -9.178 -5.365 4.628 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.428 -5.317 6.392 1.00 0.00 H new ATOM 549 N LYS A 39 -12.962 0.456 2.097 1.00 0.00 N ATOM 550 CA LYS A 39 -14.107 0.240 1.209 1.00 0.00 C ATOM 551 C LYS A 39 -13.713 0.080 -0.258 1.00 0.00 C ATOM 552 O LYS A 39 -14.548 -0.357 -1.054 1.00 0.00 O ATOM 553 CB LYS A 39 -15.107 1.392 1.346 1.00 0.00 C ATOM 554 CG LYS A 39 -15.945 1.261 2.625 1.00 0.00 C ATOM 555 CD LYS A 39 -17.114 2.250 2.627 1.00 0.00 C ATOM 556 CE LYS A 39 -18.137 1.893 1.550 1.00 0.00 C ATOM 557 NZ LYS A 39 -19.304 2.792 1.548 1.00 0.00 N ATOM 0 H LYS A 39 -12.917 1.392 2.500 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.564 -0.699 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.571 2.341 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.766 1.408 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.326 0.243 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.314 1.439 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.595 2.248 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.740 3.260 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.656 1.928 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.475 0.868 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.964 2.503 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.783 2.741 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.990 3.768 1.375 1.00 0.00 H new ATOM 571 N GLU A 40 -12.496 0.447 -0.643 1.00 0.00 N ATOM 572 CA GLU A 40 -11.981 0.340 -2.002 1.00 0.00 C ATOM 573 C GLU A 40 -11.189 -0.955 -2.114 1.00 0.00 C ATOM 574 O GLU A 40 -11.384 -1.739 -3.043 1.00 0.00 O ATOM 575 CB GLU A 40 -11.138 1.584 -2.293 1.00 0.00 C ATOM 576 CG GLU A 40 -10.890 1.727 -3.789 1.00 0.00 C ATOM 577 CD GLU A 40 -10.345 3.092 -4.146 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.028 4.112 -3.871 1.00 0.00 O ATOM 579 OE2 GLU A 40 -9.295 3.096 -4.815 1.00 0.00 O ATOM 0 H GLU A 40 -11.816 0.842 0.007 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.778 0.301 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.648 2.471 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.186 1.516 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.188 0.960 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.821 1.556 -4.329 1.00 0.00 H new ATOM 586 N LEU A 41 -10.350 -1.232 -1.114 1.00 0.00 N ATOM 587 CA LEU A 41 -9.534 -2.435 -1.048 1.00 0.00 C ATOM 588 C LEU A 41 -10.469 -3.650 -1.089 1.00 0.00 C ATOM 589 O LEU A 41 -10.213 -4.613 -1.805 1.00 0.00 O ATOM 590 CB LEU A 41 -8.633 -2.359 0.199 1.00 0.00 C ATOM 591 CG LEU A 41 -7.526 -1.289 0.016 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.030 -0.649 1.317 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.322 -1.901 -0.690 1.00 0.00 C ATOM 0 H LEU A 41 -10.220 -0.612 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.859 -2.532 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.236 -2.118 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.177 -3.332 0.383 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.994 -0.500 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.258 0.086 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.862 -0.157 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.617 -1.420 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.549 -1.143 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.930 -2.724 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.625 -2.274 -1.668 1.00 0.00 H new ATOM 605 N ASN A 42 -11.616 -3.569 -0.402 1.00 0.00 N ATOM 606 CA ASN A 42 -12.631 -4.624 -0.352 1.00 0.00 C ATOM 607 C ASN A 42 -13.367 -4.818 -1.688 1.00 0.00 C ATOM 608 O ASN A 42 -14.236 -5.683 -1.764 1.00 0.00 O ATOM 609 CB ASN A 42 -13.641 -4.387 0.787 1.00 0.00 C ATOM 610 CG ASN A 42 -13.168 -4.998 2.093 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.206 -6.211 2.268 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.748 -4.185 3.044 1.00 0.00 N ATOM 0 H ASN A 42 -11.868 -2.747 0.147 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.087 -5.546 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.794 -3.316 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.605 -4.815 0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.448 -4.563 3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.723 -3.179 2.880 1.00 0.00 H new ATOM 619 N ARG A 43 -13.170 -3.954 -2.691 1.00 0.00 N ATOM 620 CA ARG A 43 -13.803 -4.075 -4.006 1.00 0.00 C ATOM 621 C ARG A 43 -12.838 -4.671 -5.017 1.00 0.00 C ATOM 622 O ARG A 43 -13.218 -5.544 -5.796 1.00 0.00 O ATOM 623 CB ARG A 43 -14.251 -2.710 -4.561 1.00 0.00 C ATOM 624 CG ARG A 43 -15.599 -2.229 -4.028 1.00 0.00 C ATOM 625 CD ARG A 43 -16.283 -1.332 -5.071 1.00 0.00 C ATOM 626 NE ARG A 43 -17.204 -0.368 -4.454 1.00 0.00 N ATOM 627 CZ ARG A 43 -17.697 0.722 -5.056 1.00 0.00 C ATOM 628 NH1 ARG A 43 -17.524 0.942 -6.353 1.00 0.00 N ATOM 629 NH2 ARG A 43 -18.366 1.615 -4.344 1.00 0.00 N ATOM 0 H ARG A 43 -12.559 -3.142 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.671 -4.719 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.492 -1.966 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.304 -2.772 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.235 -3.084 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.457 -1.678 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.524 -0.794 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.831 -1.954 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.491 -0.543 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.004 0.272 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.911 1.781 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.503 1.471 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.744 2.448 -4.796 1.00 0.00 H new ATOM 643 N LYS A 44 -11.600 -4.171 -5.043 1.00 0.00 N ATOM 644 CA LYS A 44 -10.604 -4.638 -6.009 1.00 0.00 C ATOM 645 C LYS A 44 -9.887 -5.913 -5.586 1.00 0.00 C ATOM 646 O LYS A 44 -9.259 -6.540 -6.436 1.00 0.00 O ATOM 647 CB LYS A 44 -9.575 -3.534 -6.311 1.00 0.00 C ATOM 648 CG LYS A 44 -10.136 -2.111 -6.487 1.00 0.00 C ATOM 649 CD LYS A 44 -11.244 -2.017 -7.546 1.00 0.00 C ATOM 650 CE LYS A 44 -11.825 -0.600 -7.540 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.980 -0.470 -8.447 1.00 0.00 N ATOM 0 H LYS A 44 -11.265 -3.446 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.163 -4.880 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.844 -3.516 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.038 -3.805 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.527 -1.762 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.323 -1.440 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.843 -2.255 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.027 -2.745 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.129 -0.338 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.052 0.110 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.373 0.490 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.674 -0.645 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.709 -1.163 -8.183 1.00 0.00 H new ATOM 665 N LEU A 45 -9.971 -6.324 -4.320 1.00 0.00 N ATOM 666 CA LEU A 45 -9.301 -7.523 -3.827 1.00 0.00 C ATOM 667 C LEU A 45 -10.333 -8.526 -3.336 1.00 0.00 C ATOM 668 O LEU A 45 -11.499 -8.184 -3.135 1.00 0.00 O ATOM 669 CB LEU A 45 -8.325 -7.146 -2.698 1.00 0.00 C ATOM 670 CG LEU A 45 -7.274 -6.094 -3.111 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.569 -5.570 -1.862 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.268 -6.678 -4.104 1.00 0.00 C ATOM 0 H LEU A 45 -10.508 -5.831 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.733 -7.982 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.894 -6.764 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.812 -8.046 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.777 -5.267 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.825 -4.826 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.301 -5.113 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.077 -6.396 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.540 -5.914 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.753 -7.523 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.793 -7.015 -4.998 1.00 0.00 H new ATOM 684 N SER A 46 -9.915 -9.774 -3.148 1.00 0.00 N ATOM 685 CA SER A 46 -10.771 -10.854 -2.663 1.00 0.00 C ATOM 686 C SER A 46 -10.833 -10.793 -1.132 1.00 0.00 C ATOM 687 O SER A 46 -9.975 -10.158 -0.511 1.00 0.00 O ATOM 688 CB SER A 46 -10.184 -12.171 -3.155 1.00 0.00 C ATOM 689 OG SER A 46 -10.274 -12.245 -4.566 1.00 0.00 O ATOM 0 H SER A 46 -8.956 -10.069 -3.331 1.00 0.00 H new ATOM 0 HA SER A 46 -11.790 -10.761 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.142 -12.253 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.718 -13.007 -2.704 1.00 0.00 H new ATOM 0 HG SER A 46 -9.893 -13.094 -4.874 1.00 0.00 H new ATOM 695 N SER A 47 -11.821 -11.435 -0.506 1.00 0.00 N ATOM 696 CA SER A 47 -11.979 -11.419 0.948 1.00 0.00 C ATOM 697 C SER A 47 -10.825 -12.114 1.681 1.00 0.00 C ATOM 698 O SER A 47 -10.358 -11.605 2.696 1.00 0.00 O ATOM 699 CB SER A 47 -13.331 -12.033 1.324 1.00 0.00 C ATOM 700 OG SER A 47 -14.371 -11.410 0.577 1.00 0.00 O ATOM 0 H SER A 47 -12.533 -11.980 -0.993 1.00 0.00 H new ATOM 0 HA SER A 47 -11.952 -10.379 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.321 -13.105 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.513 -11.908 2.391 1.00 0.00 H new ATOM 0 HG SER A 47 -15.233 -11.808 0.821 1.00 0.00 H new ATOM 706 N ASN A 48 -10.331 -13.241 1.166 1.00 0.00 N ATOM 707 CA ASN A 48 -9.235 -13.975 1.801 1.00 0.00 C ATOM 708 C ASN A 48 -7.937 -13.175 1.728 1.00 0.00 C ATOM 709 O ASN A 48 -7.210 -13.084 2.721 1.00 0.00 O ATOM 710 CB ASN A 48 -9.042 -15.355 1.145 1.00 0.00 C ATOM 711 CG ASN A 48 -10.096 -16.355 1.596 1.00 0.00 C ATOM 712 OD1 ASN A 48 -11.281 -16.161 1.353 1.00 0.00 O ATOM 713 ND2 ASN A 48 -9.714 -17.430 2.262 1.00 0.00 N ATOM 0 H ASN A 48 -10.675 -13.667 0.306 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.497 -14.124 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.083 -15.250 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.051 -15.737 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.408 -18.107 2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.725 -17.583 2.460 1.00 0.00 H new ATOM 720 N ALA A 49 -7.661 -12.560 0.577 1.00 0.00 N ATOM 721 CA ALA A 49 -6.449 -11.783 0.373 1.00 0.00 C ATOM 722 C ALA A 49 -6.450 -10.441 1.114 1.00 0.00 C ATOM 723 O ALA A 49 -5.451 -10.098 1.749 1.00 0.00 O ATOM 724 CB ALA A 49 -6.235 -11.578 -1.126 1.00 0.00 C ATOM 0 H ALA A 49 -8.275 -12.590 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.621 -12.350 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.328 -10.996 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.137 -12.547 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.088 -11.045 -1.546 1.00 0.00 H new ATOM 730 N VAL A 50 -7.555 -9.685 1.083 1.00 0.00 N ATOM 731 CA VAL A 50 -7.613 -8.380 1.745 1.00 0.00 C ATOM 732 C VAL A 50 -7.332 -8.488 3.253 1.00 0.00 C ATOM 733 O VAL A 50 -6.737 -7.580 3.830 1.00 0.00 O ATOM 734 CB VAL A 50 -8.932 -7.652 1.395 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.127 -8.133 2.226 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.807 -6.131 1.515 1.00 0.00 C ATOM 0 H VAL A 50 -8.416 -9.955 0.608 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.808 -7.754 1.359 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.123 -7.909 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.020 -7.582 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.284 -9.198 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.927 -7.961 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.759 -5.666 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.538 -5.868 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.035 -5.775 0.834 1.00 0.00 H new ATOM 746 N SER A 51 -7.695 -9.603 3.901 1.00 0.00 N ATOM 747 CA SER A 51 -7.453 -9.786 5.330 1.00 0.00 C ATOM 748 C SER A 51 -5.962 -9.837 5.696 1.00 0.00 C ATOM 749 O SER A 51 -5.645 -9.666 6.875 1.00 0.00 O ATOM 750 CB SER A 51 -8.191 -11.023 5.859 1.00 0.00 C ATOM 751 OG SER A 51 -8.429 -12.011 4.871 1.00 0.00 O ATOM 0 H SER A 51 -8.159 -10.392 3.452 1.00 0.00 H new ATOM 0 HA SER A 51 -7.855 -8.900 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.609 -11.464 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.144 -10.711 6.286 1.00 0.00 H new ATOM 0 HG SER A 51 -7.632 -12.110 4.309 1.00 0.00 H new ATOM 757 N GLN A 52 -5.047 -10.073 4.745 1.00 0.00 N ATOM 758 CA GLN A 52 -3.617 -10.116 5.060 1.00 0.00 C ATOM 759 C GLN A 52 -3.072 -8.712 5.386 1.00 0.00 C ATOM 760 O GLN A 52 -1.974 -8.602 5.926 1.00 0.00 O ATOM 761 CB GLN A 52 -2.800 -10.752 3.918 1.00 0.00 C ATOM 762 CG GLN A 52 -3.284 -12.104 3.358 1.00 0.00 C ATOM 763 CD GLN A 52 -3.569 -13.181 4.402 1.00 0.00 C ATOM 764 OE1 GLN A 52 -3.084 -13.155 5.530 1.00 0.00 O ATOM 765 NE2 GLN A 52 -4.389 -14.157 4.053 1.00 0.00 N ATOM 0 H GLN A 52 -5.270 -10.235 3.763 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.507 -10.743 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.766 -10.040 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.776 -10.882 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.192 -11.934 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.531 -12.482 2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.790 -14.175 3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.621 -14.892 4.721 1.00 0.00 H new ATOM 774 N ILE A 53 -3.822 -7.649 5.062 1.00 0.00 N ATOM 775 CA ILE A 53 -3.465 -6.256 5.306 1.00 0.00 C ATOM 776 C ILE A 53 -3.443 -6.022 6.814 1.00 0.00 C ATOM 777 O ILE A 53 -4.505 -5.851 7.429 1.00 0.00 O ATOM 778 CB ILE A 53 -4.462 -5.314 4.575 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.284 -5.492 3.057 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.272 -3.830 4.933 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.282 -4.762 2.158 1.00 0.00 C ATOM 0 H ILE A 53 -4.729 -7.747 4.605 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.475 -6.034 4.908 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.466 -5.591 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.280 -5.160 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.338 -6.557 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.000 -3.228 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.417 -3.693 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.264 -3.516 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.049 -4.968 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.292 -5.108 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.218 -3.689 2.339 1.00 0.00 H new ATOM 793 N THR A 54 -2.255 -5.992 7.415 1.00 0.00 N ATOM 794 CA THR A 54 -2.100 -5.757 8.841 1.00 0.00 C ATOM 795 C THR A 54 -1.419 -4.399 9.046 1.00 0.00 C ATOM 796 O THR A 54 -0.768 -3.865 8.141 1.00 0.00 O ATOM 797 CB THR A 54 -1.437 -6.961 9.533 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.562 -6.855 10.937 1.00 0.00 O ATOM 799 CG2 THR A 54 0.039 -7.152 9.201 1.00 0.00 C ATOM 0 H THR A 54 -1.373 -6.131 6.921 1.00 0.00 H new ATOM 0 HA THR A 54 -3.066 -5.684 9.341 1.00 0.00 H new ATOM 0 HB THR A 54 -1.969 -7.830 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.137 -7.629 11.363 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.422 -8.023 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.154 -7.303 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.598 -6.267 9.505 1.00 0.00 H new ATOM 807 N ARG A 55 -1.581 -3.853 10.255 1.00 0.00 N ATOM 808 CA ARG A 55 -1.057 -2.574 10.717 1.00 0.00 C ATOM 809 C ARG A 55 -1.176 -1.475 9.654 1.00 0.00 C ATOM 810 O ARG A 55 -0.175 -1.052 9.071 1.00 0.00 O ATOM 811 CB ARG A 55 0.383 -2.749 11.228 1.00 0.00 C ATOM 812 CG ARG A 55 0.505 -3.380 12.621 1.00 0.00 C ATOM 813 CD ARG A 55 1.861 -2.968 13.211 1.00 0.00 C ATOM 814 NE ARG A 55 1.995 -3.318 14.635 1.00 0.00 N ATOM 815 CZ ARG A 55 2.534 -2.546 15.588 1.00 0.00 C ATOM 816 NH1 ARG A 55 2.878 -1.282 15.346 1.00 0.00 N ATOM 817 NH2 ARG A 55 2.757 -3.045 16.796 1.00 0.00 N ATOM 0 H ARG A 55 -2.118 -4.328 10.981 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.671 -2.236 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.932 -3.366 10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.868 -1.773 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.308 -3.044 13.264 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.432 -4.466 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.659 -3.450 12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.992 -1.892 13.092 1.00 0.00 H new ATOM 0 HE ARG A 55 1.645 -4.232 14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.733 -0.882 14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.287 -0.714 16.088 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.518 -4.016 16.999 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.167 -2.458 17.522 1.00 0.00 H new ATOM 831 N MET A 56 -2.402 -1.029 9.369 1.00 0.00 N ATOM 832 CA MET A 56 -2.638 0.032 8.396 1.00 0.00 C ATOM 833 C MET A 56 -2.623 1.353 9.174 1.00 0.00 C ATOM 834 O MET A 56 -3.546 1.615 9.951 1.00 0.00 O ATOM 835 CB MET A 56 -3.951 -0.239 7.640 1.00 0.00 C ATOM 836 CG MET A 56 -4.223 0.815 6.565 1.00 0.00 C ATOM 837 SD MET A 56 -5.931 0.933 5.968 1.00 0.00 S ATOM 838 CE MET A 56 -6.094 -0.582 4.992 1.00 0.00 C ATOM 0 H MET A 56 -3.250 -1.392 9.804 1.00 0.00 H new ATOM 0 HA MET A 56 -1.869 0.079 7.625 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.906 -1.225 7.177 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.780 -0.257 8.348 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.930 1.788 6.959 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.576 0.609 5.712 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.097 -0.635 4.568 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.359 -0.577 4.187 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.925 -1.447 5.633 1.00 0.00 H new ATOM 848 N CYS A 57 -1.584 2.174 8.987 1.00 0.00 N ATOM 849 CA CYS A 57 -1.403 3.470 9.652 1.00 0.00 C ATOM 850 C CYS A 57 -1.389 4.548 8.581 1.00 0.00 C ATOM 851 O CYS A 57 -0.839 4.344 7.493 1.00 0.00 O ATOM 852 CB CYS A 57 -0.122 3.462 10.491 1.00 0.00 C ATOM 853 SG CYS A 57 0.131 5.021 11.387 1.00 0.00 S ATOM 0 H CYS A 57 -0.821 1.948 8.348 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.221 3.673 10.343 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.164 2.639 11.205 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.733 3.277 9.841 1.00 0.00 H new ATOM 0 HG CYS A 57 1.229 4.950 12.079 1.00 0.00 H new ATOM 859 N LEU A 58 -2.060 5.671 8.833 1.00 0.00 N ATOM 860 CA LEU A 58 -2.154 6.773 7.872 1.00 0.00 C ATOM 861 C LEU A 58 -0.826 7.463 7.635 1.00 0.00 C ATOM 862 O LEU A 58 0.012 7.551 8.537 1.00 0.00 O ATOM 863 CB LEU A 58 -3.150 7.839 8.357 1.00 0.00 C ATOM 864 CG LEU A 58 -4.605 7.468 8.048 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.533 8.318 8.906 1.00 0.00 C ATOM 866 CD2 LEU A 58 -4.971 7.680 6.574 1.00 0.00 C ATOM 0 H LEU A 58 -2.554 5.844 9.708 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.489 6.319 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.034 7.977 9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.914 8.793 7.886 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.719 6.407 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.569 8.057 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.325 8.133 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.370 9.373 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.012 7.401 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.832 8.729 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.329 7.061 5.947 1.00 0.00 H new ATOM 878 N LEU A 59 -0.637 7.908 6.396 1.00 0.00 N ATOM 879 CA LEU A 59 0.540 8.652 5.979 1.00 0.00 C ATOM 880 C LEU A 59 0.252 10.121 6.321 1.00 0.00 C ATOM 881 O LEU A 59 -0.877 10.486 6.669 1.00 0.00 O ATOM 882 CB LEU A 59 0.781 8.489 4.477 1.00 0.00 C ATOM 883 CG LEU A 59 1.250 7.101 4.021 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.329 7.091 2.495 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.628 6.733 4.589 1.00 0.00 C ATOM 0 H LEU A 59 -1.310 7.758 5.644 1.00 0.00 H new ATOM 0 HA LEU A 59 1.436 8.291 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.143 8.730 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.524 9.223 4.166 1.00 0.00 H new ATOM 0 HG LEU A 59 0.533 6.368 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.661 6.110 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.345 7.306 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.037 7.850 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.914 5.742 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.366 7.463 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.584 6.732 5.678 1.00 0.00 H new ATOM 897 N LYS A 60 1.270 10.977 6.277 1.00 0.00 N ATOM 898 CA LYS A 60 1.122 12.395 6.591 1.00 0.00 C ATOM 899 C LYS A 60 0.220 13.087 5.576 1.00 0.00 C ATOM 900 O LYS A 60 0.223 12.732 4.395 1.00 0.00 O ATOM 901 CB LYS A 60 2.496 13.072 6.597 1.00 0.00 C ATOM 902 CG LYS A 60 3.381 12.600 7.759 1.00 0.00 C ATOM 903 CD LYS A 60 4.787 13.175 7.588 1.00 0.00 C ATOM 904 CE LYS A 60 5.605 13.034 8.866 1.00 0.00 C ATOM 905 NZ LYS A 60 6.874 13.774 8.750 1.00 0.00 N ATOM 0 H LYS A 60 2.220 10.707 6.023 1.00 0.00 H new ATOM 0 HA LYS A 60 0.665 12.480 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.002 12.867 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.365 14.152 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.956 12.923 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.421 11.511 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.295 12.662 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.720 14.227 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.033 13.411 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.808 11.981 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.419 13.668 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.425 13.396 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.675 14.781 8.586 1.00 0.00 H new ATOM 919 N GLY A 61 -0.516 14.100 6.020 1.00 0.00 N ATOM 920 CA GLY A 61 -1.417 14.884 5.191 1.00 0.00 C ATOM 921 C GLY A 61 -2.590 14.090 4.617 1.00 0.00 C ATOM 922 O GLY A 61 -3.167 14.545 3.633 1.00 0.00 O ATOM 0 H GLY A 61 -0.500 14.405 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.808 15.712 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.850 15.319 4.368 1.00 0.00 H new ATOM 926 N ASN A 62 -2.924 12.922 5.190 1.00 0.00 N ATOM 927 CA ASN A 62 -4.015 12.029 4.773 1.00 0.00 C ATOM 928 C ASN A 62 -4.120 11.916 3.243 1.00 0.00 C ATOM 929 O ASN A 62 -5.214 12.051 2.702 1.00 0.00 O ATOM 930 CB ASN A 62 -5.351 12.480 5.414 1.00 0.00 C ATOM 931 CG ASN A 62 -5.559 12.047 6.853 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.620 11.784 7.599 1.00 0.00 O ATOM 933 ND2 ASN A 62 -6.810 11.970 7.267 1.00 0.00 N ATOM 0 H ASN A 62 -2.415 12.558 5.996 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.786 11.027 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.408 13.567 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.173 12.091 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.013 11.687 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.573 12.194 6.628 1.00 0.00 H new ATOM 940 N MET A 63 -2.999 11.702 2.543 1.00 0.00 N ATOM 941 CA MET A 63 -2.939 11.579 1.083 1.00 0.00 C ATOM 942 C MET A 63 -2.711 10.128 0.633 1.00 0.00 C ATOM 943 O MET A 63 -2.687 9.847 -0.568 1.00 0.00 O ATOM 944 CB MET A 63 -1.890 12.559 0.524 1.00 0.00 C ATOM 945 CG MET A 63 -2.500 13.945 0.287 1.00 0.00 C ATOM 946 SD MET A 63 -2.780 14.379 -1.454 1.00 0.00 S ATOM 947 CE MET A 63 -3.721 12.949 -2.049 1.00 0.00 C ATOM 0 H MET A 63 -2.086 11.607 2.988 1.00 0.00 H new ATOM 0 HA MET A 63 -3.907 11.855 0.666 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.056 12.640 1.221 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.487 12.171 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.451 14.001 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.844 14.694 0.731 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.199 13.197 -2.997 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.047 12.104 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.483 12.685 -1.316 1.00 0.00 H new ATOM 957 N GLY A 64 -2.560 9.196 1.576 1.00 0.00 N ATOM 958 CA GLY A 64 -2.361 7.793 1.290 1.00 0.00 C ATOM 959 C GLY A 64 -2.285 6.974 2.567 1.00 0.00 C ATOM 960 O GLY A 64 -2.317 7.491 3.693 1.00 0.00 O ATOM 0 H GLY A 64 -2.574 9.409 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.179 7.427 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.443 7.663 0.717 1.00 0.00 H new ATOM 964 N VAL A 65 -2.151 5.669 2.369 1.00 0.00 N ATOM 965 CA VAL A 65 -2.064 4.671 3.419 1.00 0.00 C ATOM 966 C VAL A 65 -0.787 3.841 3.240 1.00 0.00 C ATOM 967 O VAL A 65 -0.125 3.890 2.199 1.00 0.00 O ATOM 968 CB VAL A 65 -3.361 3.818 3.432 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.618 4.672 3.686 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.610 3.023 2.146 1.00 0.00 C ATOM 0 H VAL A 65 -2.098 5.264 1.434 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.990 5.145 4.398 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.190 3.118 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.500 4.031 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.531 5.169 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.714 5.421 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.536 2.456 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.691 3.710 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.781 2.336 1.976 1.00 0.00 H new ATOM 980 N CYS A 66 -0.404 3.119 4.294 1.00 0.00 N ATOM 981 CA CYS A 66 0.752 2.235 4.336 1.00 0.00 C ATOM 982 C CYS A 66 0.320 1.073 5.222 1.00 0.00 C ATOM 983 O CYS A 66 -0.331 1.295 6.249 1.00 0.00 O ATOM 984 CB CYS A 66 1.999 2.931 4.905 1.00 0.00 C ATOM 985 SG CYS A 66 3.491 2.579 3.941 1.00 0.00 S ATOM 0 H CYS A 66 -0.915 3.138 5.177 1.00 0.00 H new ATOM 0 HA CYS A 66 1.041 1.913 3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.831 4.008 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.152 2.610 5.935 1.00 0.00 H new ATOM 0 HG CYS A 66 3.261 1.587 3.133 1.00 0.00 H new ATOM 991 N PHE A 67 0.651 -0.151 4.822 1.00 0.00 N ATOM 992 CA PHE A 67 0.318 -1.371 5.547 1.00 0.00 C ATOM 993 C PHE A 67 1.383 -2.442 5.305 1.00 0.00 C ATOM 994 O PHE A 67 2.233 -2.292 4.425 1.00 0.00 O ATOM 995 CB PHE A 67 -1.105 -1.842 5.192 1.00 0.00 C ATOM 996 CG PHE A 67 -1.509 -1.816 3.723 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.915 -2.697 2.802 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.540 -0.959 3.285 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.329 -2.697 1.459 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.965 -0.969 1.945 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.342 -1.828 1.027 1.00 0.00 C ATOM 0 H PHE A 67 1.172 -0.325 3.962 1.00 0.00 H new ATOM 0 HA PHE A 67 0.317 -1.167 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.222 -2.863 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.812 -1.224 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.139 -3.375 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.009 -0.287 3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.864 -3.371 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.766 -0.320 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.642 -1.820 -0.011 1.00 0.00 H new ATOM 1011 N ASP A 68 1.344 -3.513 6.097 1.00 0.00 N ATOM 1012 CA ASP A 68 2.274 -4.637 6.038 1.00 0.00 C ATOM 1013 C ASP A 68 1.570 -5.842 5.424 1.00 0.00 C ATOM 1014 O ASP A 68 0.422 -6.117 5.778 1.00 0.00 O ATOM 1015 CB ASP A 68 2.750 -4.995 7.457 1.00 0.00 C ATOM 1016 CG ASP A 68 3.598 -3.901 8.112 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.581 -3.435 7.490 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.317 -3.520 9.273 1.00 0.00 O ATOM 0 H ASP A 68 0.637 -3.624 6.824 1.00 0.00 H new ATOM 0 HA ASP A 68 3.134 -4.361 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.881 -5.194 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.330 -5.917 7.415 1.00 0.00 H new ATOM 1023 N VAL A 69 2.257 -6.588 4.552 1.00 0.00 N ATOM 1024 CA VAL A 69 1.733 -7.777 3.876 1.00 0.00 C ATOM 1025 C VAL A 69 2.839 -8.838 3.724 1.00 0.00 C ATOM 1026 O VAL A 69 4.028 -8.491 3.744 1.00 0.00 O ATOM 1027 CB VAL A 69 1.162 -7.392 2.487 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.122 -6.568 2.609 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.161 -6.640 1.592 1.00 0.00 C ATOM 0 H VAL A 69 3.220 -6.374 4.291 1.00 0.00 H new ATOM 0 HA VAL A 69 0.930 -8.198 4.481 1.00 0.00 H new ATOM 0 HB VAL A 69 0.943 -8.345 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.490 -6.318 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.877 -7.147 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.085 -5.650 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.689 -6.405 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.466 -5.716 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.037 -7.265 1.419 1.00 0.00 H new ATOM 1039 N PRO A 70 2.492 -10.132 3.587 1.00 0.00 N ATOM 1040 CA PRO A 70 3.485 -11.183 3.408 1.00 0.00 C ATOM 1041 C PRO A 70 4.050 -11.076 1.982 1.00 0.00 C ATOM 1042 O PRO A 70 3.325 -10.735 1.040 1.00 0.00 O ATOM 1043 CB PRO A 70 2.723 -12.489 3.641 1.00 0.00 C ATOM 1044 CG PRO A 70 1.307 -12.164 3.181 1.00 0.00 C ATOM 1045 CD PRO A 70 1.145 -10.694 3.565 1.00 0.00 C ATOM 0 HA PRO A 70 4.333 -11.118 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.152 -13.311 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.746 -12.785 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.187 -12.316 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.568 -12.794 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.516 -10.170 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.666 -10.596 4.539 1.00 0.00 H new ATOM 1053 N THR A 71 5.326 -11.420 1.798 1.00 0.00 N ATOM 1054 CA THR A 71 6.025 -11.361 0.510 1.00 0.00 C ATOM 1055 C THR A 71 5.451 -12.310 -0.560 1.00 0.00 C ATOM 1056 O THR A 71 5.818 -12.229 -1.733 1.00 0.00 O ATOM 1057 CB THR A 71 7.519 -11.617 0.762 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.722 -12.696 1.660 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.140 -10.362 1.377 1.00 0.00 C ATOM 0 H THR A 71 5.918 -11.756 2.558 1.00 0.00 H new ATOM 0 HA THR A 71 5.876 -10.367 0.089 1.00 0.00 H new ATOM 0 HB THR A 71 7.983 -11.865 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.683 -12.832 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.201 -10.533 1.560 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.021 -9.523 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.642 -10.134 2.319 1.00 0.00 H new ATOM 1067 N THR A 72 4.544 -13.211 -0.184 1.00 0.00 N ATOM 1068 CA THR A 72 3.895 -14.173 -1.067 1.00 0.00 C ATOM 1069 C THR A 72 2.576 -13.640 -1.631 1.00 0.00 C ATOM 1070 O THR A 72 2.107 -14.136 -2.656 1.00 0.00 O ATOM 1071 CB THR A 72 3.670 -15.466 -0.270 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.346 -15.192 1.084 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.957 -16.284 -0.245 1.00 0.00 C ATOM 0 H THR A 72 4.230 -13.292 0.783 1.00 0.00 H new ATOM 0 HA THR A 72 4.536 -14.362 -1.928 1.00 0.00 H new ATOM 0 HB THR A 72 2.853 -16.001 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.207 -16.035 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.794 -17.201 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.249 -16.534 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.749 -15.702 0.227 1.00 0.00 H new ATOM 1081 N GLU A 73 1.966 -12.644 -0.980 1.00 0.00 N ATOM 1082 CA GLU A 73 0.713 -12.059 -1.434 1.00 0.00 C ATOM 1083 C GLU A 73 1.015 -10.782 -2.227 1.00 0.00 C ATOM 1084 O GLU A 73 0.270 -10.450 -3.142 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.206 -11.814 -0.220 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.685 -11.546 -0.549 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.486 -12.803 -0.922 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.791 -13.637 -0.030 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.842 -12.960 -2.113 1.00 0.00 O ATOM 0 H GLU A 73 2.332 -12.225 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 73 0.182 -12.737 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.150 -12.682 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.182 -10.964 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.156 -11.071 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.739 -10.836 -1.375 1.00 0.00 H new ATOM 1096 N SER A 74 2.128 -10.092 -1.951 1.00 0.00 N ATOM 1097 CA SER A 74 2.522 -8.853 -2.620 1.00 0.00 C ATOM 1098 C SER A 74 2.548 -8.952 -4.151 1.00 0.00 C ATOM 1099 O SER A 74 2.103 -8.014 -4.816 1.00 0.00 O ATOM 1100 CB SER A 74 3.854 -8.364 -2.046 1.00 0.00 C ATOM 1101 OG SER A 74 4.760 -9.439 -1.924 1.00 0.00 O ATOM 0 H SER A 74 2.794 -10.390 -1.238 1.00 0.00 H new ATOM 0 HA SER A 74 1.750 -8.112 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.276 -7.596 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.691 -7.905 -1.071 1.00 0.00 H new ATOM 0 HG SER A 74 5.652 -9.093 -1.711 1.00 0.00 H new ATOM 1107 N GLU A 75 3.071 -10.030 -4.749 1.00 0.00 N ATOM 1108 CA GLU A 75 3.081 -10.140 -6.213 1.00 0.00 C ATOM 1109 C GLU A 75 1.647 -10.326 -6.718 1.00 0.00 C ATOM 1110 O GLU A 75 1.257 -9.723 -7.718 1.00 0.00 O ATOM 1111 CB GLU A 75 3.996 -11.269 -6.715 1.00 0.00 C ATOM 1112 CG GLU A 75 5.475 -10.853 -6.690 1.00 0.00 C ATOM 1113 CD GLU A 75 6.298 -11.581 -7.759 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.445 -12.824 -7.701 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.850 -10.910 -8.664 1.00 0.00 O ATOM 0 H GLU A 75 3.484 -10.821 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 75 3.493 -9.215 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.856 -12.154 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.712 -11.544 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.551 -9.777 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.893 -11.063 -5.706 1.00 0.00 H new ATOM 1122 N ARG A 76 0.845 -11.142 -6.028 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.549 -11.398 -6.391 1.00 0.00 C ATOM 1124 C ARG A 76 -1.308 -10.069 -6.341 1.00 0.00 C ATOM 1125 O ARG A 76 -2.098 -9.762 -7.227 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.167 -12.446 -5.442 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.331 -13.738 -5.311 1.00 0.00 C ATOM 1128 CD ARG A 76 -0.830 -14.634 -4.173 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.059 -15.362 -4.517 1.00 0.00 N ATOM 1130 CZ ARG A 76 -2.153 -16.631 -4.932 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -1.072 -17.384 -5.108 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -3.352 -17.143 -5.177 1.00 0.00 N ATOM 0 H ARG A 76 1.149 -11.647 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.613 -11.807 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.288 -12.001 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.164 -12.704 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.369 -14.290 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.713 -13.478 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.050 -15.350 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.011 -14.023 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.934 -14.845 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.146 -16.997 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.169 -18.349 -5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.187 -16.571 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.439 -18.109 -5.494 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.013 -9.233 -5.345 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.618 -7.925 -5.135 1.00 0.00 C ATOM 1148 C LEU A 77 -1.295 -6.997 -6.286 1.00 0.00 C ATOM 1149 O LEU A 77 -2.167 -6.266 -6.751 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.094 -7.333 -3.820 1.00 0.00 C ATOM 1151 CG LEU A 77 -1.971 -7.818 -2.665 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.181 -7.915 -1.363 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.163 -6.869 -2.544 1.00 0.00 C ATOM 0 H LEU A 77 -0.317 -9.462 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.701 -8.038 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.059 -7.635 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.104 -6.244 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.330 -8.827 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.837 -8.263 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.358 -8.618 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.784 -6.933 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.805 -7.194 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.805 -5.859 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.730 -6.876 -3.475 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.048 -7.018 -6.753 1.00 0.00 N ATOM 1166 CA GLN A 78 0.394 -6.195 -7.867 1.00 0.00 C ATOM 1167 C GLN A 78 -0.375 -6.579 -9.144 1.00 0.00 C ATOM 1168 O GLN A 78 -0.514 -5.739 -10.036 1.00 0.00 O ATOM 1169 CB GLN A 78 1.927 -6.302 -7.980 1.00 0.00 C ATOM 1170 CG GLN A 78 2.580 -5.343 -6.964 1.00 0.00 C ATOM 1171 CD GLN A 78 4.057 -5.626 -6.674 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.950 -4.926 -7.133 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.347 -6.612 -5.843 1.00 0.00 N ATOM 0 H GLN A 78 0.685 -7.611 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 78 0.166 -5.142 -7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.247 -7.326 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.247 -6.052 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.486 -4.323 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.024 -5.394 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.601 -7.194 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.317 -6.791 -5.583 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.900 -7.807 -9.245 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.672 -8.275 -10.391 1.00 0.00 C ATOM 1184 C ALA A 79 -3.180 -8.053 -10.185 1.00 0.00 C ATOM 1185 O ALA A 79 -3.908 -7.921 -11.169 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.389 -9.767 -10.618 1.00 0.00 C ATOM 0 H ALA A 79 -0.795 -8.512 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.369 -7.700 -11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.964 -10.120 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.326 -9.910 -10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.676 -10.331 -9.730 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.652 -7.973 -8.936 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.064 -7.790 -8.602 1.00 0.00 C ATOM 1194 C GLU A 80 -5.451 -6.315 -8.471 1.00 0.00 C ATOM 1195 O GLU A 80 -6.618 -5.984 -8.679 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.401 -8.599 -7.328 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.406 -10.100 -7.678 1.00 0.00 C ATOM 1198 CD GLU A 80 -5.667 -11.086 -6.538 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -6.413 -10.807 -5.570 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -5.215 -12.250 -6.669 1.00 0.00 O ATOM 0 H GLU A 80 -3.050 -8.035 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.664 -8.172 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.668 -8.396 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.374 -8.300 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.162 -10.265 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.441 -10.346 -8.122 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.514 -5.412 -8.157 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.827 -3.994 -8.030 1.00 0.00 C ATOM 1209 C TRP A 81 -5.074 -3.391 -9.410 1.00 0.00 C ATOM 1210 O TRP A 81 -4.144 -3.267 -10.214 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.746 -3.220 -7.261 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.260 -1.894 -6.776 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.857 -0.661 -7.161 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.355 -1.671 -5.846 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.652 0.301 -6.564 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.596 -0.271 -5.729 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -6.163 -2.538 -5.083 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.613 0.236 -4.896 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -7.159 -2.037 -4.233 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.394 -0.658 -4.144 1.00 0.00 C ATOM 0 H TRP A 81 -3.535 -5.644 -7.987 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.738 -3.905 -7.439 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.407 -3.813 -6.412 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.881 -3.063 -7.906 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.037 -0.458 -7.834 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.555 1.304 -6.719 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -6.012 -3.605 -5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.790 1.300 -4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.751 -2.720 -3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -8.174 -0.283 -3.498 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.320 -3.030 -9.696 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.761 -2.437 -10.945 1.00 0.00 C ATOM 1233 C HIS A 82 -8.060 -1.675 -10.660 1.00 0.00 C ATOM 1234 O HIS A 82 -8.557 -1.666 -9.530 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.998 -3.558 -11.984 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.278 -3.365 -13.299 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -6.450 -2.342 -14.212 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.343 -4.221 -13.816 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -5.648 -2.584 -15.260 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.954 -3.721 -15.067 1.00 0.00 N ATOM 0 H HIS A 82 -7.083 -3.150 -9.030 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.013 -1.754 -11.347 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.685 -4.508 -11.551 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.068 -3.633 -12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.972 -5.119 -13.345 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.570 -1.955 -16.135 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.277 -4.138 -15.706 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.629 -1.076 -11.705 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.875 -0.323 -11.707 1.00 0.00 C ATOM 1250 C ASP A 83 -9.965 0.796 -10.669 1.00 0.00 C ATOM 1251 O ASP A 83 -11.066 1.123 -10.212 1.00 0.00 O ATOM 1252 CB ASP A 83 -11.060 -1.299 -11.640 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.380 -0.616 -11.981 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.461 0.051 -13.037 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.347 -0.748 -11.197 1.00 0.00 O ATOM 0 H ASP A 83 -8.202 -1.108 -12.631 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.909 0.224 -12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.890 -2.125 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.121 -1.728 -10.640 1.00 0.00 H new ATOM 1260 N SER A 84 -8.838 1.370 -10.240 1.00 0.00 N ATOM 1261 CA SER A 84 -8.875 2.457 -9.281 1.00 0.00 C ATOM 1262 C SER A 84 -7.757 3.457 -9.510 1.00 0.00 C ATOM 1263 O SER A 84 -6.673 3.125 -9.995 1.00 0.00 O ATOM 1264 CB SER A 84 -8.919 1.943 -7.845 1.00 0.00 C ATOM 1265 OG SER A 84 -9.891 2.727 -7.189 1.00 0.00 O ATOM 0 H SER A 84 -7.903 1.098 -10.542 1.00 0.00 H new ATOM 0 HA SER A 84 -9.806 3.000 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.183 0.886 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.946 2.042 -7.364 1.00 0.00 H new ATOM 0 HG SER A 84 -9.468 3.234 -6.465 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.041 4.679 -9.071 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.226 5.883 -9.165 1.00 0.00 C ATOM 1273 C ASP A 85 -6.080 5.952 -8.158 1.00 0.00 C ATOM 1274 O ASP A 85 -5.266 6.871 -8.233 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.146 7.108 -9.003 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.491 6.954 -9.721 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.552 7.143 -10.960 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.467 6.533 -9.053 1.00 0.00 O ATOM 0 H ASP A 85 -8.925 4.867 -8.599 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.747 5.867 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.326 7.281 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.635 7.991 -9.388 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.013 5.024 -7.202 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.953 5.003 -6.195 1.00 0.00 C ATOM 1285 C TRP A 86 -3.757 4.234 -6.762 1.00 0.00 C ATOM 1286 O TRP A 86 -3.970 3.180 -7.378 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.452 4.336 -4.909 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.515 5.038 -4.112 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.733 5.395 -4.572 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.569 5.283 -2.670 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.523 5.831 -3.536 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.878 5.736 -2.331 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.669 5.127 -1.595 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.287 5.972 -1.011 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.071 5.327 -0.263 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.376 5.753 0.032 1.00 0.00 C ATOM 0 H TRP A 86 -6.691 4.268 -7.105 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.655 6.023 -5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.830 3.348 -5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.592 4.185 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.042 5.345 -5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.474 6.183 -3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.646 4.847 -1.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.289 6.317 -0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.370 5.152 0.540 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.677 5.911 1.057 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.530 4.744 -6.614 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.320 4.094 -7.126 1.00 0.00 C ATOM 1309 C ILE A 87 -0.662 3.308 -5.995 1.00 0.00 C ATOM 1310 O ILE A 87 -0.504 3.828 -4.886 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.298 5.075 -7.753 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.868 6.373 -8.365 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.479 4.309 -8.841 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -0.932 7.522 -7.350 1.00 0.00 C ATOM 0 H ILE A 87 -2.348 5.625 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.633 3.432 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 87 0.324 5.418 -6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.250 6.674 -9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.868 6.179 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.209 4.974 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.995 3.461 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.216 3.950 -9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.340 8.411 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.572 7.235 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.071 7.737 -6.981 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.251 2.074 -6.285 1.00 0.00 N ATOM 1327 CA LEU A 88 0.385 1.153 -5.351 1.00 0.00 C ATOM 1328 C LEU A 88 1.897 1.108 -5.565 1.00 0.00 C ATOM 1329 O LEU A 88 2.350 1.028 -6.704 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.187 -0.247 -5.645 1.00 0.00 C ATOM 1331 CG LEU A 88 0.338 -1.368 -4.727 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.307 -1.255 -3.342 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.027 -2.727 -5.367 1.00 0.00 C ATOM 0 H LEU A 88 -0.358 1.674 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 88 0.193 1.476 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.273 -0.205 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.041 -0.507 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 88 1.417 -1.273 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.069 -2.051 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.061 -0.288 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.389 -1.346 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.396 -3.525 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.051 -2.831 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.515 -2.791 -6.340 1.00 0.00 H new ATOM 1345 N SER A 89 2.680 1.162 -4.485 1.00 0.00 N ATOM 1346 CA SER A 89 4.134 1.075 -4.551 1.00 0.00 C ATOM 1347 C SER A 89 4.643 0.190 -3.410 1.00 0.00 C ATOM 1348 O SER A 89 3.980 0.052 -2.377 1.00 0.00 O ATOM 1349 CB SER A 89 4.783 2.460 -4.619 1.00 0.00 C ATOM 1350 OG SER A 89 4.398 3.325 -3.563 1.00 0.00 O ATOM 0 H SER A 89 2.318 1.268 -3.537 1.00 0.00 H new ATOM 0 HA SER A 89 4.434 0.593 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.867 2.344 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.525 2.926 -5.570 1.00 0.00 H new ATOM 0 HG SER A 89 4.849 4.189 -3.667 1.00 0.00 H new ATOM 1356 N VAL A 90 5.835 -0.380 -3.572 1.00 0.00 N ATOM 1357 CA VAL A 90 6.463 -1.264 -2.593 1.00 0.00 C ATOM 1358 C VAL A 90 7.895 -0.761 -2.319 1.00 0.00 C ATOM 1359 O VAL A 90 8.870 -1.250 -2.900 1.00 0.00 O ATOM 1360 CB VAL A 90 6.308 -2.713 -3.120 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.835 -2.980 -4.544 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.874 -3.754 -2.156 1.00 0.00 C ATOM 0 H VAL A 90 6.404 -0.237 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 90 5.992 -1.259 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 90 5.225 -2.820 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.672 -4.026 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.305 -2.344 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.901 -2.758 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.738 -4.751 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.937 -3.567 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.351 -3.688 -1.202 1.00 0.00 H new ATOM 1372 N PRO A 91 8.072 0.214 -1.413 1.00 0.00 N ATOM 1373 CA PRO A 91 9.378 0.773 -1.085 1.00 0.00 C ATOM 1374 C PRO A 91 10.139 -0.104 -0.091 1.00 0.00 C ATOM 1375 O PRO A 91 9.550 -0.905 0.643 1.00 0.00 O ATOM 1376 CB PRO A 91 9.067 2.139 -0.474 1.00 0.00 C ATOM 1377 CG PRO A 91 7.739 1.899 0.238 1.00 0.00 C ATOM 1378 CD PRO A 91 7.027 0.888 -0.662 1.00 0.00 C ATOM 0 HA PRO A 91 10.019 0.841 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.845 2.458 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.982 2.913 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.888 1.505 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.165 2.820 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.451 0.176 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.326 1.387 -1.331 1.00 0.00 H new ATOM 1386 N ALA A 92 11.467 0.010 -0.098 1.00 0.00 N ATOM 1387 CA ALA A 92 12.342 -0.725 0.805 1.00 0.00 C ATOM 1388 C ALA A 92 12.196 -0.094 2.178 1.00 0.00 C ATOM 1389 O ALA A 92 11.942 -0.830 3.156 1.00 0.00 O ATOM 1390 CB ALA A 92 13.793 -0.659 0.325 1.00 0.00 C ATOM 0 H ALA A 92 11.968 0.624 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 92 12.067 -1.779 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.430 -1.214 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.867 -1.096 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.118 0.381 0.289 1.00 0.00 H new TER 1396 ALA A 92