USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 50 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Set 1.2: A 81 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 MET CE :methyl 145:sc= -0.0515 (180deg=-0.556) USER MOD Set 2.2: A 80 MET CE :methyl -163:sc= -2.81 (180deg=-2.88!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.057) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.27 K(o=-2.3,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0.16 (180deg=0.117) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -6:sc= -0.716 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -91:sc= 0.153 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 147:sc= -5.25! (180deg=-6.64!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.686 USER MOD Single : A 58 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.35) USER MOD Single : A 69 SER OG : rot -85:sc= 0.667 USER MOD Single : A 71 THR OG1 : rot -159:sc= -0.0299 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.778 -2.896 -17.356 1.00 0.00 N ATOM 47 CA ILE A 4 8.035 -4.120 -17.045 1.00 0.00 C ATOM 48 C ILE A 4 6.557 -3.796 -16.814 1.00 0.00 C ATOM 49 O ILE A 4 5.690 -4.646 -17.010 1.00 0.00 O ATOM 50 CB ILE A 4 8.618 -4.838 -15.815 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.300 -4.060 -14.529 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.135 -4.958 -15.972 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.943 -4.506 -13.986 1.00 0.00 C ATOM 0 HA ILE A 4 8.127 -4.791 -17.899 1.00 0.00 H new ATOM 0 HB ILE A 4 8.169 -5.828 -15.743 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.077 -4.234 -13.784 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.288 -2.989 -14.733 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.552 -5.466 -15.102 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.364 -5.530 -16.871 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.572 -3.963 -16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.717 -3.954 -13.074 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.171 -4.309 -14.730 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.972 -5.573 -13.767 1.00 0.00 H new ATOM 65 N TYR A 5 6.284 -2.549 -16.402 1.00 0.00 N ATOM 66 CA TYR A 5 4.908 -2.109 -16.158 1.00 0.00 C ATOM 67 C TYR A 5 4.125 -2.093 -17.471 1.00 0.00 C ATOM 68 O TYR A 5 2.918 -2.336 -17.492 1.00 0.00 O ATOM 69 CB TYR A 5 4.880 -0.694 -15.557 1.00 0.00 C ATOM 70 CG TYR A 5 5.861 -0.583 -14.408 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.970 -1.614 -13.469 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.659 0.559 -14.285 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.874 -1.503 -12.409 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.563 0.669 -13.225 1.00 0.00 C ATOM 75 CZ TYR A 5 7.671 -0.362 -12.286 1.00 0.00 C ATOM 76 OH TYR A 5 8.562 -0.251 -11.238 1.00 0.00 O ATOM 0 H TYR A 5 6.993 -1.835 -16.233 1.00 0.00 H new ATOM 0 HA TYR A 5 4.455 -2.808 -15.455 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.127 0.038 -16.326 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.874 -0.461 -15.207 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.355 -2.497 -13.563 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.577 1.356 -15.009 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.957 -2.300 -11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.179 1.551 -13.131 1.00 0.00 H new ATOM 0 HH TYR A 5 9.038 0.603 -11.302 1.00 0.00 H new ATOM 86 N LYS A 6 4.840 -1.811 -18.564 1.00 0.00 N ATOM 87 CA LYS A 6 4.226 -1.770 -19.896 1.00 0.00 C ATOM 88 C LYS A 6 4.050 -3.185 -20.432 1.00 0.00 C ATOM 89 O LYS A 6 3.049 -3.501 -21.075 1.00 0.00 O ATOM 90 CB LYS A 6 5.094 -0.966 -20.878 1.00 0.00 C ATOM 91 CG LYS A 6 5.610 0.317 -20.209 1.00 0.00 C ATOM 92 CD LYS A 6 4.464 1.018 -19.473 1.00 0.00 C ATOM 93 CE LYS A 6 5.023 2.159 -18.618 1.00 0.00 C ATOM 94 NZ LYS A 6 4.061 3.299 -18.609 1.00 0.00 N ATOM 0 H LYS A 6 5.840 -1.609 -18.554 1.00 0.00 H new ATOM 0 HA LYS A 6 3.255 -1.284 -19.803 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.935 -1.574 -21.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.512 -0.713 -21.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.410 0.076 -19.509 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.034 0.984 -20.960 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.742 1.408 -20.191 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.933 0.305 -18.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.199 1.811 -17.600 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.985 2.485 -19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.444 4.072 -18.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.914 3.637 -19.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.153 2.984 -18.212 1.00 0.00 H new ATOM 108 N ALA A 7 5.035 -4.035 -20.146 1.00 0.00 N ATOM 109 CA ALA A 7 4.987 -5.430 -20.585 1.00 0.00 C ATOM 110 C ALA A 7 3.944 -6.217 -19.781 1.00 0.00 C ATOM 111 O ALA A 7 3.355 -7.178 -20.282 1.00 0.00 O ATOM 112 CB ALA A 7 6.355 -6.094 -20.409 1.00 0.00 C ATOM 0 H ALA A 7 5.870 -3.786 -19.616 1.00 0.00 H new ATOM 0 HA ALA A 7 4.710 -5.437 -21.639 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.301 -7.131 -20.740 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.097 -5.561 -21.003 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.642 -6.063 -19.358 1.00 0.00 H new ATOM 118 N ALA A 8 3.728 -5.799 -18.527 1.00 0.00 N ATOM 119 CA ALA A 8 2.763 -6.466 -17.651 1.00 0.00 C ATOM 120 C ALA A 8 1.344 -5.912 -17.841 1.00 0.00 C ATOM 121 O ALA A 8 0.367 -6.604 -17.554 1.00 0.00 O ATOM 122 CB ALA A 8 3.167 -6.292 -16.184 1.00 0.00 C ATOM 0 H ALA A 8 4.207 -5.006 -18.100 1.00 0.00 H new ATOM 0 HA ALA A 8 2.765 -7.523 -17.919 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.440 -6.793 -15.545 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.153 -6.728 -16.024 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.196 -5.231 -15.938 1.00 0.00 H new ATOM 128 N VAL A 9 1.235 -4.662 -18.320 1.00 0.00 N ATOM 129 CA VAL A 9 -0.081 -4.042 -18.531 1.00 0.00 C ATOM 130 C VAL A 9 -0.946 -4.879 -19.487 1.00 0.00 C ATOM 131 O VAL A 9 -2.173 -4.903 -19.366 1.00 0.00 O ATOM 132 CB VAL A 9 0.069 -2.610 -19.075 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.310 -2.627 -20.589 1.00 0.00 C ATOM 134 CG2 VAL A 9 -1.206 -1.818 -18.775 1.00 0.00 C ATOM 0 H VAL A 9 2.029 -4.070 -18.565 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.581 -4.000 -17.563 1.00 0.00 H new ATOM 0 HB VAL A 9 0.925 -2.141 -18.590 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.413 -1.605 -20.953 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.222 -3.183 -20.806 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.534 -3.106 -21.086 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.103 -0.803 -19.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.057 -2.303 -19.254 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.368 -1.783 -17.698 1.00 0.00 H new ATOM 144 N GLU A 10 -0.293 -5.567 -20.433 1.00 0.00 N ATOM 145 CA GLU A 10 -1.010 -6.406 -21.400 1.00 0.00 C ATOM 146 C GLU A 10 -1.630 -7.630 -20.717 1.00 0.00 C ATOM 147 O GLU A 10 -2.609 -8.194 -21.209 1.00 0.00 O ATOM 148 CB GLU A 10 -0.062 -6.883 -22.504 1.00 0.00 C ATOM 149 CG GLU A 10 0.196 -5.740 -23.488 1.00 0.00 C ATOM 150 CD GLU A 10 1.157 -6.209 -24.575 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.356 -6.110 -24.364 1.00 0.00 O ATOM 152 OE2 GLU A 10 0.683 -6.662 -25.604 1.00 0.00 O ATOM 0 H GLU A 10 0.720 -5.559 -20.548 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.804 -5.798 -21.833 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.878 -7.221 -22.069 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.496 -7.735 -23.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.743 -5.412 -23.935 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.616 -4.882 -22.963 1.00 0.00 H new ATOM 159 N GLN A 11 -1.056 -8.032 -19.576 1.00 0.00 N ATOM 160 CA GLN A 11 -1.565 -9.189 -18.833 1.00 0.00 C ATOM 161 C GLN A 11 -2.794 -8.801 -18.014 1.00 0.00 C ATOM 162 O GLN A 11 -3.758 -9.565 -17.920 1.00 0.00 O ATOM 163 CB GLN A 11 -0.492 -9.743 -17.885 1.00 0.00 C ATOM 164 CG GLN A 11 0.789 -10.059 -18.667 1.00 0.00 C ATOM 165 CD GLN A 11 0.554 -11.258 -19.585 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.232 -12.351 -19.120 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.699 -11.115 -20.876 1.00 0.00 N ATOM 0 H GLN A 11 -0.247 -7.578 -19.152 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.836 -9.955 -19.560 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.279 -9.017 -17.100 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.859 -10.644 -17.394 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.089 -9.192 -19.256 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.604 -10.273 -17.976 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.966 -10.209 -21.262 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.545 -11.909 -21.498 1.00 0.00 H new ATOM 176 N LEU A 12 -2.750 -7.604 -17.423 1.00 0.00 N ATOM 177 CA LEU A 12 -3.863 -7.111 -16.611 1.00 0.00 C ATOM 178 C LEU A 12 -4.998 -6.598 -17.502 1.00 0.00 C ATOM 179 O LEU A 12 -4.885 -6.590 -18.730 1.00 0.00 O ATOM 180 CB LEU A 12 -3.389 -5.979 -15.696 1.00 0.00 C ATOM 181 CG LEU A 12 -2.112 -6.277 -14.901 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.108 -5.143 -15.107 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.451 -6.400 -13.412 1.00 0.00 C ATOM 0 H LEU A 12 -1.960 -6.962 -17.491 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.232 -7.939 -16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.222 -5.089 -16.302 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.188 -5.741 -14.994 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.677 -7.214 -15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.200 -5.354 -14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.865 -5.060 -16.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.542 -4.205 -14.759 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.542 -6.612 -12.848 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.887 -5.465 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.165 -7.211 -13.267 1.00 0.00 H new ATOM 195 N THR A 13 -6.093 -6.173 -16.867 1.00 0.00 N ATOM 196 CA THR A 13 -7.251 -5.662 -17.607 1.00 0.00 C ATOM 197 C THR A 13 -7.598 -4.246 -17.158 1.00 0.00 C ATOM 198 O THR A 13 -7.114 -3.768 -16.130 1.00 0.00 O ATOM 199 CB THR A 13 -8.482 -6.556 -17.389 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.413 -7.172 -16.108 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.536 -7.631 -18.472 1.00 0.00 C ATOM 0 H THR A 13 -6.203 -6.172 -15.853 1.00 0.00 H new ATOM 0 HA THR A 13 -6.983 -5.660 -18.664 1.00 0.00 H new ATOM 0 HB THR A 13 -9.381 -5.943 -17.443 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.201 -7.739 -15.975 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.410 -8.263 -18.314 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.603 -7.158 -19.452 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.634 -8.241 -18.424 1.00 0.00 H new ATOM 209 N ASP A 14 -8.463 -3.590 -17.934 1.00 0.00 N ATOM 210 CA ASP A 14 -8.899 -2.233 -17.604 1.00 0.00 C ATOM 211 C ASP A 14 -9.676 -2.232 -16.284 1.00 0.00 C ATOM 212 O ASP A 14 -9.648 -1.254 -15.537 1.00 0.00 O ATOM 213 CB ASP A 14 -9.800 -1.675 -18.708 1.00 0.00 C ATOM 214 CG ASP A 14 -9.758 -0.150 -18.679 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.856 0.411 -19.280 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.628 0.436 -18.054 1.00 0.00 O ATOM 0 H ASP A 14 -8.872 -3.972 -18.787 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.011 -1.608 -17.509 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.469 -2.040 -19.681 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.823 -2.024 -18.568 1.00 0.00 H new ATOM 221 N GLU A 15 -10.368 -3.347 -16.013 1.00 0.00 N ATOM 222 CA GLU A 15 -11.153 -3.489 -14.786 1.00 0.00 C ATOM 223 C GLU A 15 -10.274 -3.316 -13.544 1.00 0.00 C ATOM 224 O GLU A 15 -10.696 -2.703 -12.564 1.00 0.00 O ATOM 225 CB GLU A 15 -11.817 -4.867 -14.733 1.00 0.00 C ATOM 226 CG GLU A 15 -12.944 -4.938 -15.769 1.00 0.00 C ATOM 227 CD GLU A 15 -12.965 -6.324 -16.407 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.151 -6.564 -17.285 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.795 -7.125 -16.009 1.00 0.00 O ATOM 0 H GLU A 15 -10.398 -4.161 -16.628 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.916 -2.711 -14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.079 -5.645 -14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.215 -5.051 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.903 -4.731 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.797 -4.176 -16.535 1.00 0.00 H new ATOM 236 N GLN A 16 -9.047 -3.858 -13.594 1.00 0.00 N ATOM 237 CA GLN A 16 -8.129 -3.740 -12.455 1.00 0.00 C ATOM 238 C GLN A 16 -7.822 -2.265 -12.167 1.00 0.00 C ATOM 239 O GLN A 16 -7.684 -1.867 -11.011 1.00 0.00 O ATOM 240 CB GLN A 16 -6.824 -4.530 -12.700 1.00 0.00 C ATOM 241 CG GLN A 16 -5.811 -3.704 -13.510 1.00 0.00 C ATOM 242 CD GLN A 16 -4.815 -3.033 -12.563 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.757 -1.806 -12.482 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.018 -3.772 -11.837 1.00 0.00 N ATOM 0 H GLN A 16 -8.675 -4.371 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.619 -4.172 -11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.383 -4.813 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.051 -5.454 -13.232 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.282 -4.348 -14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.332 -2.949 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.065 -4.789 -11.903 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.349 -3.332 -11.205 1.00 0.00 H new ATOM 253 N LYS A 17 -7.745 -1.457 -13.232 1.00 0.00 N ATOM 254 CA LYS A 17 -7.485 -0.023 -13.080 1.00 0.00 C ATOM 255 C LYS A 17 -8.743 0.681 -12.576 1.00 0.00 C ATOM 256 O LYS A 17 -8.666 1.609 -11.769 1.00 0.00 O ATOM 257 CB LYS A 17 -7.061 0.600 -14.414 1.00 0.00 C ATOM 258 CG LYS A 17 -5.536 0.548 -14.542 1.00 0.00 C ATOM 259 CD LYS A 17 -5.138 -0.576 -15.503 1.00 0.00 C ATOM 260 CE LYS A 17 -5.172 -0.057 -16.943 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.134 -0.757 -17.752 1.00 0.00 N ATOM 0 H LYS A 17 -7.858 -1.768 -14.197 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.676 0.101 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.524 0.063 -15.242 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.406 1.632 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.159 1.503 -14.908 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.085 0.381 -13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.139 -0.939 -15.260 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.819 -1.420 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.158 -0.223 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.994 1.018 -16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.159 -0.403 -18.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.195 -0.577 -17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.323 -1.780 -17.749 1.00 0.00 H new ATOM 275 N ASN A 18 -9.904 0.214 -13.053 1.00 0.00 N ATOM 276 CA ASN A 18 -11.189 0.783 -12.639 1.00 0.00 C ATOM 277 C ASN A 18 -11.381 0.598 -11.131 1.00 0.00 C ATOM 278 O ASN A 18 -11.827 1.511 -10.433 1.00 0.00 O ATOM 279 CB ASN A 18 -12.342 0.095 -13.382 1.00 0.00 C ATOM 280 CG ASN A 18 -12.891 1.033 -14.453 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.805 1.816 -14.191 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.385 1.002 -15.656 1.00 0.00 N ATOM 0 H ASN A 18 -9.978 -0.552 -13.722 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.189 1.846 -12.881 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.993 -0.831 -13.839 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.131 -0.174 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.747 1.626 -16.378 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.628 0.354 -15.874 1.00 0.00 H new ATOM 289 N GLU A 19 -11.020 -0.593 -10.641 1.00 0.00 N ATOM 290 CA GLU A 19 -11.131 -0.901 -9.212 1.00 0.00 C ATOM 291 C GLU A 19 -10.075 -0.126 -8.429 1.00 0.00 C ATOM 292 O GLU A 19 -10.339 0.377 -7.338 1.00 0.00 O ATOM 293 CB GLU A 19 -10.926 -2.400 -8.956 1.00 0.00 C ATOM 294 CG GLU A 19 -11.947 -3.206 -9.762 1.00 0.00 C ATOM 295 CD GLU A 19 -13.256 -3.302 -8.982 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.392 -4.232 -8.204 1.00 0.00 O ATOM 297 OE2 GLU A 19 -14.101 -2.445 -9.177 1.00 0.00 O ATOM 0 H GLU A 19 -10.651 -1.355 -11.209 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.130 -0.614 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.914 -2.692 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.036 -2.615 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.121 -2.730 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.559 -4.204 -9.965 1.00 0.00 H new ATOM 304 N PHE A 20 -8.876 -0.040 -9.011 1.00 0.00 N ATOM 305 CA PHE A 20 -7.764 0.675 -8.381 1.00 0.00 C ATOM 306 C PHE A 20 -8.108 2.149 -8.186 1.00 0.00 C ATOM 307 O PHE A 20 -7.828 2.725 -7.135 1.00 0.00 O ATOM 308 CB PHE A 20 -6.502 0.569 -9.245 1.00 0.00 C ATOM 309 CG PHE A 20 -5.745 -0.701 -8.917 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.404 -1.801 -8.350 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.377 -0.775 -9.190 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.695 -2.967 -8.058 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.666 -1.941 -8.897 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.325 -3.038 -8.331 1.00 0.00 C ATOM 0 H PHE A 20 -8.651 -0.455 -9.915 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.583 0.216 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.774 0.576 -10.300 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.863 1.435 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.462 -1.746 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.868 0.071 -9.628 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.204 -3.814 -7.622 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.608 -1.996 -9.107 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.776 -3.940 -8.105 1.00 0.00 H new ATOM 324 N LYS A 21 -8.724 2.753 -9.210 1.00 0.00 N ATOM 325 CA LYS A 21 -9.107 4.161 -9.134 1.00 0.00 C ATOM 326 C LYS A 21 -10.154 4.364 -8.046 1.00 0.00 C ATOM 327 O LYS A 21 -10.023 5.253 -7.210 1.00 0.00 O ATOM 328 CB LYS A 21 -9.670 4.652 -10.469 1.00 0.00 C ATOM 329 CG LYS A 21 -9.331 6.134 -10.646 1.00 0.00 C ATOM 330 CD LYS A 21 -10.197 6.981 -9.713 1.00 0.00 C ATOM 331 CE LYS A 21 -10.322 8.401 -10.271 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.974 9.388 -9.209 1.00 0.00 N ATOM 0 H LYS A 21 -8.964 2.293 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.212 4.736 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.250 4.070 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.750 4.508 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.276 6.303 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.497 6.433 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.185 6.532 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.755 7.009 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.660 8.525 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.338 8.575 -10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.861 10.330 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.734 9.417 -8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.084 9.106 -8.751 1.00 0.00 H new ATOM 346 N ALA A 22 -11.187 3.518 -8.059 1.00 0.00 N ATOM 347 CA ALA A 22 -12.246 3.605 -7.052 1.00 0.00 C ATOM 348 C ALA A 22 -11.659 3.393 -5.655 1.00 0.00 C ATOM 349 O ALA A 22 -11.969 4.134 -4.724 1.00 0.00 O ATOM 350 CB ALA A 22 -13.327 2.554 -7.308 1.00 0.00 C ATOM 0 H ALA A 22 -11.312 2.775 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.694 4.596 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.103 2.638 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.765 2.715 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.884 1.559 -7.266 1.00 0.00 H new ATOM 356 N ALA A 23 -10.788 2.382 -5.533 1.00 0.00 N ATOM 357 CA ALA A 23 -10.134 2.082 -4.254 1.00 0.00 C ATOM 358 C ALA A 23 -9.261 3.258 -3.808 1.00 0.00 C ATOM 359 O ALA A 23 -9.055 3.475 -2.613 1.00 0.00 O ATOM 360 CB ALA A 23 -9.256 0.833 -4.379 1.00 0.00 C ATOM 0 H ALA A 23 -10.522 1.763 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.914 1.906 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.779 0.626 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.873 -0.018 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.490 1.001 -5.137 1.00 0.00 H new ATOM 366 N PHE A 24 -8.756 4.017 -4.785 1.00 0.00 N ATOM 367 CA PHE A 24 -7.916 5.176 -4.494 1.00 0.00 C ATOM 368 C PHE A 24 -8.787 6.384 -4.146 1.00 0.00 C ATOM 369 O PHE A 24 -8.639 6.978 -3.080 1.00 0.00 O ATOM 370 CB PHE A 24 -7.045 5.519 -5.713 1.00 0.00 C ATOM 371 CG PHE A 24 -5.804 6.264 -5.277 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.656 5.554 -4.902 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.796 7.665 -5.254 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.504 6.243 -4.505 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.643 8.353 -4.856 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.499 7.643 -4.481 1.00 0.00 C ATOM 0 H PHE A 24 -8.915 3.849 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.275 4.933 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.764 4.605 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.614 6.127 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.660 4.474 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.680 8.215 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.619 5.695 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.638 9.433 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.611 8.174 -4.173 1.00 0.00 H new ATOM 386 N ASP A 25 -9.692 6.737 -5.068 1.00 0.00 N ATOM 387 CA ASP A 25 -10.588 7.886 -4.882 1.00 0.00 C ATOM 388 C ASP A 25 -11.318 7.854 -3.532 1.00 0.00 C ATOM 389 O ASP A 25 -11.456 8.891 -2.881 1.00 0.00 O ATOM 390 CB ASP A 25 -11.629 7.937 -6.005 1.00 0.00 C ATOM 391 CG ASP A 25 -12.253 9.328 -6.063 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.664 10.197 -6.685 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.313 9.505 -5.484 1.00 0.00 O ATOM 0 H ASP A 25 -9.823 6.243 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.958 8.775 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.161 7.698 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.402 7.188 -5.832 1.00 0.00 H new ATOM 398 N ILE A 26 -11.792 6.670 -3.121 1.00 0.00 N ATOM 399 CA ILE A 26 -12.511 6.552 -1.841 1.00 0.00 C ATOM 400 C ILE A 26 -11.648 7.062 -0.683 1.00 0.00 C ATOM 401 O ILE A 26 -12.149 7.704 0.242 1.00 0.00 O ATOM 402 CB ILE A 26 -12.933 5.100 -1.567 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.707 4.180 -1.630 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.966 4.664 -2.613 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.125 2.732 -1.367 1.00 0.00 C ATOM 0 H ILE A 26 -11.695 5.798 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.408 7.166 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.374 5.033 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.233 4.258 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.968 4.494 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.267 3.634 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.839 5.314 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.528 4.734 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.248 2.086 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.578 2.658 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.847 2.419 -2.121 1.00 0.00 H new ATOM 417 N PHE A 27 -10.340 6.787 -0.757 1.00 0.00 N ATOM 418 CA PHE A 27 -9.407 7.236 0.277 1.00 0.00 C ATOM 419 C PHE A 27 -9.026 8.705 0.050 1.00 0.00 C ATOM 420 O PHE A 27 -8.748 9.437 1.002 1.00 0.00 O ATOM 421 CB PHE A 27 -8.134 6.383 0.265 1.00 0.00 C ATOM 422 CG PHE A 27 -8.326 5.167 1.144 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.905 4.006 0.617 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.926 5.201 2.486 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.085 2.881 1.430 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.105 4.075 3.299 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.684 2.915 2.771 1.00 0.00 C ATOM 0 H PHE A 27 -9.909 6.260 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.901 7.131 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.902 6.074 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.288 6.971 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.213 3.979 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.479 6.096 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.533 1.987 1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.796 4.102 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.821 2.046 3.398 1.00 0.00 H new ATOM 437 N ILE A 28 -9.018 9.124 -1.224 1.00 0.00 N ATOM 438 CA ILE A 28 -8.672 10.508 -1.578 1.00 0.00 C ATOM 439 C ILE A 28 -9.938 11.369 -1.693 1.00 0.00 C ATOM 440 O ILE A 28 -10.013 12.283 -2.518 1.00 0.00 O ATOM 441 CB ILE A 28 -7.905 10.550 -2.914 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.848 9.441 -2.967 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.200 11.896 -3.080 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.169 9.278 -1.603 1.00 0.00 C ATOM 0 H ILE A 28 -9.245 8.529 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.037 10.907 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.629 10.406 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.314 8.501 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.101 9.678 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.662 11.911 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.939 12.697 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.495 12.041 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.422 8.486 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.685 10.214 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.916 9.018 -0.853 1.00 0.00 H new ATOM 456 N GLN A 29 -10.930 11.075 -0.845 1.00 0.00 N ATOM 457 CA GLN A 29 -12.183 11.837 -0.851 1.00 0.00 C ATOM 458 C GLN A 29 -11.939 13.269 -0.365 1.00 0.00 C ATOM 459 O GLN A 29 -12.584 14.212 -0.828 1.00 0.00 O ATOM 460 CB GLN A 29 -13.242 11.170 0.042 1.00 0.00 C ATOM 461 CG GLN A 29 -12.657 10.861 1.427 1.00 0.00 C ATOM 462 CD GLN A 29 -13.789 10.620 2.422 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.695 9.825 2.163 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.792 11.261 3.558 1.00 0.00 N ATOM 0 H GLN A 29 -10.891 10.325 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.552 11.858 -1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.107 11.826 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.593 10.250 -0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.014 9.982 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.035 11.691 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.043 11.919 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.543 11.104 4.230 1.00 0.00 H new ATOM 473 N ASP A 30 -10.991 13.418 0.567 1.00 0.00 N ATOM 474 CA ASP A 30 -10.653 14.733 1.109 1.00 0.00 C ATOM 475 C ASP A 30 -9.218 14.733 1.655 1.00 0.00 C ATOM 476 O ASP A 30 -8.947 15.261 2.737 1.00 0.00 O ATOM 477 CB ASP A 30 -11.632 15.117 2.226 1.00 0.00 C ATOM 478 CG ASP A 30 -12.002 16.591 2.095 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.300 17.412 2.662 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.983 16.878 1.429 1.00 0.00 O ATOM 0 H ASP A 30 -10.449 12.648 0.958 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.727 15.465 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.528 14.500 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.180 14.930 3.200 1.00 0.00 H new ATOM 485 N ALA A 31 -8.299 14.135 0.885 1.00 0.00 N ATOM 486 CA ALA A 31 -6.894 14.066 1.291 1.00 0.00 C ATOM 487 C ALA A 31 -6.244 15.449 1.221 1.00 0.00 C ATOM 488 O ALA A 31 -6.650 16.304 0.430 1.00 0.00 O ATOM 489 CB ALA A 31 -6.123 13.105 0.383 1.00 0.00 C ATOM 0 H ALA A 31 -8.503 13.697 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.859 13.704 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.080 13.065 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.561 12.109 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.178 13.456 -0.648 1.00 0.00 H new ATOM 495 N GLU A 32 -5.230 15.654 2.063 1.00 0.00 N ATOM 496 CA GLU A 32 -4.519 16.936 2.102 1.00 0.00 C ATOM 497 C GLU A 32 -3.718 17.152 0.818 1.00 0.00 C ATOM 498 O GLU A 32 -3.810 18.206 0.188 1.00 0.00 O ATOM 499 CB GLU A 32 -3.564 16.989 3.299 1.00 0.00 C ATOM 500 CG GLU A 32 -4.360 17.239 4.582 1.00 0.00 C ATOM 501 CD GLU A 32 -3.476 16.957 5.794 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.456 15.820 6.236 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.832 17.882 6.261 1.00 0.00 O ATOM 0 H GLU A 32 -4.884 14.957 2.722 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.266 17.724 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.012 16.052 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.829 17.781 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.713 18.270 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.242 16.599 4.606 1.00 0.00 H new ATOM 510 N ASP A 33 -2.934 16.140 0.443 1.00 0.00 N ATOM 511 CA ASP A 33 -2.115 16.222 -0.771 1.00 0.00 C ATOM 512 C ASP A 33 -2.803 15.528 -1.955 1.00 0.00 C ATOM 513 O ASP A 33 -2.596 15.909 -3.108 1.00 0.00 O ATOM 514 CB ASP A 33 -0.732 15.589 -0.538 1.00 0.00 C ATOM 515 CG ASP A 33 -0.872 14.094 -0.254 1.00 0.00 C ATOM 516 OD1 ASP A 33 -1.215 13.748 0.865 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.630 13.317 -1.161 1.00 0.00 O ATOM 0 H ASP A 33 -2.848 15.262 0.955 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.991 17.278 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.103 15.742 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.237 16.080 0.300 1.00 0.00 H new ATOM 522 N GLY A 34 -3.623 14.512 -1.659 1.00 0.00 N ATOM 523 CA GLY A 34 -4.340 13.779 -2.708 1.00 0.00 C ATOM 524 C GLY A 34 -3.795 12.358 -2.875 1.00 0.00 C ATOM 525 O GLY A 34 -3.776 11.820 -3.984 1.00 0.00 O ATOM 0 H GLY A 34 -3.805 14.182 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.401 13.736 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.253 14.316 -3.652 1.00 0.00 H new ATOM 529 N CYS A 35 -3.360 11.751 -1.763 1.00 0.00 N ATOM 530 CA CYS A 35 -2.822 10.388 -1.795 1.00 0.00 C ATOM 531 C CYS A 35 -3.172 9.646 -0.507 1.00 0.00 C ATOM 532 O CYS A 35 -3.804 10.203 0.395 1.00 0.00 O ATOM 533 CB CYS A 35 -1.300 10.414 -1.949 1.00 0.00 C ATOM 534 SG CYS A 35 -0.854 11.244 -3.495 1.00 0.00 S ATOM 0 H CYS A 35 -3.370 12.180 -0.838 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.266 9.874 -2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.849 10.933 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.907 9.397 -1.945 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.932 11.513 -4.170 1.00 0.00 H new ATOM 540 N ILE A 36 -2.745 8.384 -0.425 1.00 0.00 N ATOM 541 CA ILE A 36 -3.010 7.575 0.765 1.00 0.00 C ATOM 542 C ILE A 36 -1.740 7.456 1.606 1.00 0.00 C ATOM 543 O ILE A 36 -0.678 7.949 1.222 1.00 0.00 O ATOM 544 CB ILE A 36 -3.509 6.174 0.381 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.475 5.470 -0.507 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.834 6.287 -0.377 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.873 4.288 0.252 1.00 0.00 C ATOM 0 H ILE A 36 -2.221 7.906 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.788 8.070 1.346 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.656 5.592 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.946 5.124 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.690 6.169 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.184 5.291 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.576 6.773 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.687 6.878 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.138 3.787 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.388 4.647 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.663 3.585 0.517 1.00 0.00 H new ATOM 559 N SER A 37 -1.857 6.800 2.759 1.00 0.00 N ATOM 560 CA SER A 37 -0.709 6.627 3.643 1.00 0.00 C ATOM 561 C SER A 37 0.011 5.319 3.332 1.00 0.00 C ATOM 562 O SER A 37 -0.619 4.285 3.102 1.00 0.00 O ATOM 563 CB SER A 37 -1.154 6.620 5.108 1.00 0.00 C ATOM 564 OG SER A 37 -0.009 6.543 5.949 1.00 0.00 O ATOM 0 H SER A 37 -2.724 6.385 3.099 1.00 0.00 H new ATOM 0 HA SER A 37 -0.029 7.463 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.723 7.523 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.814 5.773 5.295 1.00 0.00 H new ATOM 0 HG SER A 37 -0.292 6.540 6.887 1.00 0.00 H new ATOM 570 N THR A 38 1.343 5.383 3.338 1.00 0.00 N ATOM 571 CA THR A 38 2.169 4.202 3.070 1.00 0.00 C ATOM 572 C THR A 38 1.827 3.076 4.049 1.00 0.00 C ATOM 573 O THR A 38 1.770 1.905 3.671 1.00 0.00 O ATOM 574 CB THR A 38 3.660 4.544 3.198 1.00 0.00 C ATOM 575 OG1 THR A 38 3.872 5.329 4.365 1.00 0.00 O ATOM 576 CG2 THR A 38 4.112 5.327 1.965 1.00 0.00 C ATOM 0 H THR A 38 1.872 6.235 3.524 1.00 0.00 H new ATOM 0 HA THR A 38 1.962 3.873 2.052 1.00 0.00 H new ATOM 0 HB THR A 38 4.237 3.622 3.274 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.800 6.279 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.171 5.570 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.954 4.722 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.534 6.248 1.887 1.00 0.00 H new ATOM 584 N LYS A 39 1.587 3.451 5.311 1.00 0.00 N ATOM 585 CA LYS A 39 1.237 2.474 6.346 1.00 0.00 C ATOM 586 C LYS A 39 -0.155 1.879 6.092 1.00 0.00 C ATOM 587 O LYS A 39 -0.425 0.737 6.468 1.00 0.00 O ATOM 588 CB LYS A 39 1.249 3.130 7.732 1.00 0.00 C ATOM 589 CG LYS A 39 2.681 3.528 8.105 1.00 0.00 C ATOM 590 CD LYS A 39 2.822 5.052 8.051 1.00 0.00 C ATOM 591 CE LYS A 39 4.281 5.421 7.768 1.00 0.00 C ATOM 592 NZ LYS A 39 4.382 6.884 7.493 1.00 0.00 N ATOM 0 H LYS A 39 1.628 4.416 5.637 1.00 0.00 H new ATOM 0 HA LYS A 39 1.981 1.678 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.605 4.009 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.848 2.440 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.921 3.166 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.389 3.063 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.175 5.460 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.502 5.491 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.906 5.157 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.651 4.854 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.373 7.134 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.798 7.123 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.045 7.417 8.320 1.00 0.00 H new ATOM 606 N GLU A 40 -1.031 2.662 5.446 1.00 0.00 N ATOM 607 CA GLU A 40 -2.388 2.201 5.147 1.00 0.00 C ATOM 608 C GLU A 40 -2.476 1.566 3.750 1.00 0.00 C ATOM 609 O GLU A 40 -3.573 1.325 3.240 1.00 0.00 O ATOM 610 CB GLU A 40 -3.369 3.377 5.219 1.00 0.00 C ATOM 611 CG GLU A 40 -3.576 3.790 6.678 1.00 0.00 C ATOM 612 CD GLU A 40 -4.806 4.687 6.783 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.658 5.885 6.609 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.878 4.162 7.036 1.00 0.00 O ATOM 0 H GLU A 40 -0.824 3.608 5.125 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.647 1.446 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.984 4.219 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.322 3.095 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.703 2.906 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.696 4.317 7.046 1.00 0.00 H new ATOM 621 N LEU A 41 -1.317 1.292 3.134 1.00 0.00 N ATOM 622 CA LEU A 41 -1.295 0.684 1.802 1.00 0.00 C ATOM 623 C LEU A 41 -1.611 -0.814 1.876 1.00 0.00 C ATOM 624 O LEU A 41 -2.163 -1.388 0.935 1.00 0.00 O ATOM 625 CB LEU A 41 0.073 0.884 1.141 1.00 0.00 C ATOM 626 CG LEU A 41 0.166 0.437 -0.323 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.125 0.806 -1.064 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.355 1.132 -0.995 1.00 0.00 C ATOM 0 H LEU A 41 -0.397 1.480 3.532 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.060 1.176 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.335 1.941 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.820 0.339 1.718 1.00 0.00 H new ATOM 0 HG LEU A 41 0.305 -0.644 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.052 0.486 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.971 0.309 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.270 1.886 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.421 0.814 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.216 2.212 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.275 0.864 -0.475 1.00 0.00 H new ATOM 640 N GLY A 42 -1.271 -1.441 3.003 1.00 0.00 N ATOM 641 CA GLY A 42 -1.544 -2.868 3.184 1.00 0.00 C ATOM 642 C GLY A 42 -3.039 -3.121 3.417 1.00 0.00 C ATOM 643 O GLY A 42 -3.518 -4.245 3.257 1.00 0.00 O ATOM 0 H GLY A 42 -0.812 -0.991 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.212 -3.419 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.972 -3.246 4.031 1.00 0.00 H new ATOM 647 N LYS A 43 -3.764 -2.064 3.806 1.00 0.00 N ATOM 648 CA LYS A 43 -5.200 -2.174 4.072 1.00 0.00 C ATOM 649 C LYS A 43 -6.031 -2.005 2.794 1.00 0.00 C ATOM 650 O LYS A 43 -7.089 -2.622 2.652 1.00 0.00 O ATOM 651 CB LYS A 43 -5.634 -1.105 5.082 1.00 0.00 C ATOM 652 CG LYS A 43 -4.782 -1.210 6.353 1.00 0.00 C ATOM 653 CD LYS A 43 -5.598 -1.866 7.469 1.00 0.00 C ATOM 654 CE LYS A 43 -6.141 -0.787 8.411 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.420 -1.251 9.020 1.00 0.00 N ATOM 0 H LYS A 43 -3.380 -1.129 3.942 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.376 -3.172 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.527 -0.113 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.688 -1.232 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.885 -1.796 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.453 -0.219 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.422 -2.439 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.976 -2.568 8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.412 -0.572 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.303 0.141 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.787 -0.517 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.115 -1.435 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.251 -2.125 9.558 1.00 0.00 H new ATOM 669 N VAL A 44 -5.555 -1.156 1.873 1.00 0.00 N ATOM 670 CA VAL A 44 -6.287 -0.913 0.622 1.00 0.00 C ATOM 671 C VAL A 44 -6.269 -2.147 -0.286 1.00 0.00 C ATOM 672 O VAL A 44 -7.252 -2.427 -0.975 1.00 0.00 O ATOM 673 CB VAL A 44 -5.715 0.293 -0.140 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.016 1.579 0.636 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.200 0.149 -0.304 1.00 0.00 C ATOM 0 H VAL A 44 -4.683 -0.635 1.967 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.318 -0.695 0.899 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.179 0.336 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.610 2.434 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.094 1.696 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.558 1.524 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.809 1.010 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.731 0.095 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.979 -0.761 -0.862 1.00 0.00 H new ATOM 685 N MET A 45 -5.154 -2.891 -0.275 1.00 0.00 N ATOM 686 CA MET A 45 -5.046 -4.098 -1.100 1.00 0.00 C ATOM 687 C MET A 45 -6.052 -5.151 -0.639 1.00 0.00 C ATOM 688 O MET A 45 -6.601 -5.898 -1.451 1.00 0.00 O ATOM 689 CB MET A 45 -3.638 -4.694 -1.019 1.00 0.00 C ATOM 690 CG MET A 45 -2.629 -3.695 -1.584 1.00 0.00 C ATOM 691 SD MET A 45 -0.987 -4.453 -1.616 1.00 0.00 S ATOM 692 CE MET A 45 -0.675 -4.373 0.163 1.00 0.00 C ATOM 0 H MET A 45 -4.328 -2.682 0.286 1.00 0.00 H new ATOM 0 HA MET A 45 -5.256 -3.811 -2.130 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.391 -4.931 0.016 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.594 -5.628 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.922 -3.394 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.613 -2.792 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.074 -5.231 0.466 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.139 -3.453 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.624 -4.387 0.700 1.00 0.00 H new ATOM 702 N ARG A 46 -6.291 -5.192 0.674 1.00 0.00 N ATOM 703 CA ARG A 46 -7.244 -6.147 1.246 1.00 0.00 C ATOM 704 C ARG A 46 -8.653 -5.879 0.715 1.00 0.00 C ATOM 705 O ARG A 46 -9.406 -6.810 0.426 1.00 0.00 O ATOM 706 CB ARG A 46 -7.256 -6.052 2.775 1.00 0.00 C ATOM 707 CG ARG A 46 -6.182 -6.977 3.354 1.00 0.00 C ATOM 708 CD ARG A 46 -5.985 -6.671 4.841 1.00 0.00 C ATOM 709 NE ARG A 46 -5.306 -7.780 5.514 1.00 0.00 N ATOM 710 CZ ARG A 46 -5.165 -7.817 6.847 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.630 -6.846 7.598 1.00 0.00 N ATOM 712 NH2 ARG A 46 -4.555 -8.832 7.405 1.00 0.00 N ATOM 0 H ARG A 46 -5.842 -4.581 1.356 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.930 -7.149 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.072 -5.024 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.237 -6.331 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.476 -8.018 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.243 -6.841 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.401 -5.758 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.952 -6.491 5.311 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.930 -8.545 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.105 -6.052 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.517 -6.886 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.190 -9.589 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.444 -8.866 8.418 1.00 0.00 H new ATOM 726 N MET A 47 -8.993 -4.592 0.578 1.00 0.00 N ATOM 727 CA MET A 47 -10.310 -4.200 0.069 1.00 0.00 C ATOM 728 C MET A 47 -10.436 -4.544 -1.418 1.00 0.00 C ATOM 729 O MET A 47 -11.509 -4.930 -1.885 1.00 0.00 O ATOM 730 CB MET A 47 -10.536 -2.696 0.254 1.00 0.00 C ATOM 731 CG MET A 47 -11.087 -2.430 1.657 1.00 0.00 C ATOM 732 SD MET A 47 -11.956 -0.841 1.673 1.00 0.00 S ATOM 733 CE MET A 47 -10.813 0.032 2.772 1.00 0.00 C ATOM 0 H MET A 47 -8.379 -3.811 0.811 1.00 0.00 H new ATOM 0 HA MET A 47 -11.062 -4.750 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.600 -2.157 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.234 -2.327 -0.498 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.766 -3.231 1.951 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.274 -2.419 2.383 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.162 1.053 2.923 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.768 -0.482 3.732 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.820 0.051 2.323 1.00 0.00 H new ATOM 743 N LEU A 48 -9.326 -4.404 -2.154 1.00 0.00 N ATOM 744 CA LEU A 48 -9.317 -4.705 -3.588 1.00 0.00 C ATOM 745 C LEU A 48 -9.520 -6.203 -3.824 1.00 0.00 C ATOM 746 O LEU A 48 -10.432 -6.610 -4.549 1.00 0.00 O ATOM 747 CB LEU A 48 -7.986 -4.271 -4.218 1.00 0.00 C ATOM 748 CG LEU A 48 -8.092 -3.599 -5.592 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.908 -4.482 -6.538 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.777 -2.237 -5.446 1.00 0.00 C ATOM 0 H LEU A 48 -8.431 -4.087 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.134 -4.154 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.488 -3.583 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.345 -5.148 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.091 -3.461 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.981 -4.000 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.417 -5.449 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.908 -4.626 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.852 -1.761 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.776 -2.375 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.192 -1.605 -4.778 1.00 0.00 H new ATOM 762 N GLY A 49 -8.662 -7.016 -3.203 1.00 0.00 N ATOM 763 CA GLY A 49 -8.750 -8.470 -3.348 1.00 0.00 C ATOM 764 C GLY A 49 -7.384 -9.122 -3.149 1.00 0.00 C ATOM 765 O GLY A 49 -6.893 -9.840 -4.022 1.00 0.00 O ATOM 0 H GLY A 49 -7.905 -6.695 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.457 -8.870 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.135 -8.718 -4.337 1.00 0.00 H new ATOM 769 N GLN A 50 -6.778 -8.861 -1.987 1.00 0.00 N ATOM 770 CA GLN A 50 -5.463 -9.421 -1.665 1.00 0.00 C ATOM 771 C GLN A 50 -5.332 -9.640 -0.158 1.00 0.00 C ATOM 772 O GLN A 50 -6.118 -9.113 0.631 1.00 0.00 O ATOM 773 CB GLN A 50 -4.351 -8.473 -2.129 1.00 0.00 C ATOM 774 CG GLN A 50 -3.839 -8.911 -3.504 1.00 0.00 C ATOM 775 CD GLN A 50 -3.421 -7.682 -4.308 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.260 -7.012 -4.909 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.160 -7.342 -4.352 1.00 0.00 N ATOM 0 H GLN A 50 -7.175 -8.269 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.367 -10.376 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.728 -7.452 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.533 -8.476 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.993 -9.589 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.617 -9.459 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.464 -7.897 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.871 -6.521 -4.884 1.00 0.00 H new ATOM 786 N ASN A 51 -4.327 -10.425 0.236 1.00 0.00 N ATOM 787 CA ASN A 51 -4.101 -10.703 1.654 1.00 0.00 C ATOM 788 C ASN A 51 -2.623 -11.023 1.914 1.00 0.00 C ATOM 789 O ASN A 51 -2.256 -12.170 2.182 1.00 0.00 O ATOM 790 CB ASN A 51 -4.976 -11.878 2.112 1.00 0.00 C ATOM 791 CG ASN A 51 -5.300 -11.732 3.599 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.691 -10.656 4.055 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.162 -12.761 4.390 1.00 0.00 N ATOM 0 H ASN A 51 -3.665 -10.874 -0.398 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.372 -9.814 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.897 -11.906 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.458 -12.820 1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.378 -12.673 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.839 -13.653 4.015 1.00 0.00 H new ATOM 800 N PRO A 52 -1.759 -10.000 1.837 1.00 0.00 N ATOM 801 CA PRO A 52 -0.310 -10.162 2.068 1.00 0.00 C ATOM 802 C PRO A 52 0.056 -10.133 3.555 1.00 0.00 C ATOM 803 O PRO A 52 -0.812 -10.234 4.424 1.00 0.00 O ATOM 804 CB PRO A 52 0.266 -8.947 1.347 1.00 0.00 C ATOM 805 CG PRO A 52 -0.836 -7.898 1.288 1.00 0.00 C ATOM 806 CD PRO A 52 -2.172 -8.618 1.515 1.00 0.00 C ATOM 0 HA PRO A 52 0.068 -11.121 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.137 -8.561 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.597 -9.215 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.679 -7.134 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.832 -7.392 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.739 -8.167 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.804 -8.583 0.628 1.00 0.00 H new ATOM 814 N THR A 53 1.353 -9.985 3.829 1.00 0.00 N ATOM 815 CA THR A 53 1.841 -9.931 5.208 1.00 0.00 C ATOM 816 C THR A 53 2.281 -8.500 5.538 1.00 0.00 C ATOM 817 O THR A 53 2.315 -7.638 4.657 1.00 0.00 O ATOM 818 CB THR A 53 3.027 -10.900 5.402 1.00 0.00 C ATOM 819 OG1 THR A 53 4.239 -10.273 5.001 1.00 0.00 O ATOM 820 CG2 THR A 53 2.814 -12.165 4.567 1.00 0.00 C ATOM 0 H THR A 53 2.081 -9.901 3.119 1.00 0.00 H new ATOM 0 HA THR A 53 1.036 -10.231 5.879 1.00 0.00 H new ATOM 0 HB THR A 53 3.088 -11.168 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.986 -10.894 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.656 -12.842 4.711 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.894 -12.658 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.740 -11.897 3.513 1.00 0.00 H new ATOM 828 N PRO A 54 2.634 -8.228 6.801 1.00 0.00 N ATOM 829 CA PRO A 54 3.084 -6.882 7.211 1.00 0.00 C ATOM 830 C PRO A 54 4.492 -6.561 6.708 1.00 0.00 C ATOM 831 O PRO A 54 4.839 -5.399 6.492 1.00 0.00 O ATOM 832 CB PRO A 54 3.039 -6.965 8.731 1.00 0.00 C ATOM 833 CG PRO A 54 3.134 -8.439 9.096 1.00 0.00 C ATOM 834 CD PRO A 54 2.620 -9.230 7.890 1.00 0.00 C ATOM 0 HA PRO A 54 2.465 -6.085 6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.862 -6.404 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.116 -6.531 9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.163 -8.714 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.538 -8.656 9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.262 -10.081 7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.618 -9.623 8.063 1.00 0.00 H new ATOM 842 N GLU A 55 5.290 -7.609 6.508 1.00 0.00 N ATOM 843 CA GLU A 55 6.652 -7.444 6.007 1.00 0.00 C ATOM 844 C GLU A 55 6.638 -7.339 4.480 1.00 0.00 C ATOM 845 O GLU A 55 7.402 -6.572 3.892 1.00 0.00 O ATOM 846 CB GLU A 55 7.534 -8.630 6.416 1.00 0.00 C ATOM 847 CG GLU A 55 7.299 -8.969 7.892 1.00 0.00 C ATOM 848 CD GLU A 55 8.309 -10.020 8.344 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.019 -11.195 8.194 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.357 -9.634 8.837 1.00 0.00 O ATOM 0 H GLU A 55 5.018 -8.576 6.684 1.00 0.00 H new ATOM 0 HA GLU A 55 7.061 -6.531 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.306 -9.496 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.584 -8.387 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.397 -8.071 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.284 -9.341 8.033 1.00 0.00 H new ATOM 857 N GLU A 56 5.760 -8.131 3.848 1.00 0.00 N ATOM 858 CA GLU A 56 5.646 -8.142 2.388 1.00 0.00 C ATOM 859 C GLU A 56 5.043 -6.839 1.863 1.00 0.00 C ATOM 860 O GLU A 56 5.614 -6.204 0.974 1.00 0.00 O ATOM 861 CB GLU A 56 4.778 -9.318 1.926 1.00 0.00 C ATOM 862 CG GLU A 56 5.213 -9.763 0.525 1.00 0.00 C ATOM 863 CD GLU A 56 6.611 -10.376 0.588 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.734 -11.476 1.104 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.538 -9.736 0.117 1.00 0.00 O ATOM 0 H GLU A 56 5.122 -8.768 4.325 1.00 0.00 H new ATOM 0 HA GLU A 56 6.654 -8.248 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.870 -10.148 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.728 -9.025 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.505 -10.490 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.210 -8.911 -0.155 1.00 0.00 H new ATOM 872 N LEU A 57 3.884 -6.447 2.411 1.00 0.00 N ATOM 873 CA LEU A 57 3.225 -5.213 1.966 1.00 0.00 C ATOM 874 C LEU A 57 4.109 -3.987 2.242 1.00 0.00 C ATOM 875 O LEU A 57 3.999 -2.970 1.554 1.00 0.00 O ATOM 876 CB LEU A 57 1.825 -5.070 2.613 1.00 0.00 C ATOM 877 CG LEU A 57 1.663 -4.116 3.816 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.711 -4.415 4.888 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.789 -2.658 3.357 1.00 0.00 C ATOM 0 H LEU A 57 3.393 -6.954 3.147 1.00 0.00 H new ATOM 0 HA LEU A 57 3.081 -5.273 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.133 -4.745 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.504 -6.062 2.931 1.00 0.00 H new ATOM 0 HG LEU A 57 0.673 -4.272 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.579 -3.731 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.594 -5.442 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.708 -4.285 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.673 -1.995 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.770 -2.501 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.014 -2.440 2.622 1.00 0.00 H new ATOM 891 N GLN A 58 5.002 -4.100 3.237 1.00 0.00 N ATOM 892 CA GLN A 58 5.910 -3.000 3.571 1.00 0.00 C ATOM 893 C GLN A 58 6.943 -2.811 2.458 1.00 0.00 C ATOM 894 O GLN A 58 7.227 -1.686 2.044 1.00 0.00 O ATOM 895 CB GLN A 58 6.635 -3.275 4.894 1.00 0.00 C ATOM 896 CG GLN A 58 7.448 -2.043 5.310 1.00 0.00 C ATOM 897 CD GLN A 58 6.504 -0.887 5.634 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.111 -0.703 6.787 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.114 -0.086 4.677 1.00 0.00 N ATOM 0 H GLN A 58 5.112 -4.932 3.816 1.00 0.00 H new ATOM 0 HA GLN A 58 5.316 -2.092 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.911 -3.523 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.294 -4.137 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.062 -2.278 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.127 -1.756 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.438 -0.237 3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.485 0.690 4.886 1.00 0.00 H new ATOM 908 N GLU A 59 7.496 -3.931 1.977 1.00 0.00 N ATOM 909 CA GLU A 59 8.493 -3.891 0.905 1.00 0.00 C ATOM 910 C GLU A 59 7.878 -3.346 -0.387 1.00 0.00 C ATOM 911 O GLU A 59 8.547 -2.662 -1.161 1.00 0.00 O ATOM 912 CB GLU A 59 9.051 -5.292 0.631 1.00 0.00 C ATOM 913 CG GLU A 59 9.871 -5.769 1.834 1.00 0.00 C ATOM 914 CD GLU A 59 10.069 -7.281 1.747 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.169 -8.003 2.143 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.120 -7.694 1.284 1.00 0.00 O ATOM 0 H GLU A 59 7.271 -4.868 2.311 1.00 0.00 H new ATOM 0 HA GLU A 59 9.299 -3.234 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.234 -5.987 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.675 -5.277 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.837 -5.265 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.360 -5.511 2.762 1.00 0.00 H new ATOM 923 N MET A 60 6.593 -3.657 -0.608 1.00 0.00 N ATOM 924 CA MET A 60 5.892 -3.194 -1.809 1.00 0.00 C ATOM 925 C MET A 60 5.832 -1.669 -1.846 1.00 0.00 C ATOM 926 O MET A 60 6.064 -1.057 -2.889 1.00 0.00 O ATOM 927 CB MET A 60 4.463 -3.747 -1.846 1.00 0.00 C ATOM 928 CG MET A 60 4.487 -5.211 -2.295 1.00 0.00 C ATOM 929 SD MET A 60 2.806 -5.883 -2.251 1.00 0.00 S ATOM 930 CE MET A 60 2.174 -5.029 -3.717 1.00 0.00 C ATOM 0 H MET A 60 6.025 -4.222 0.023 1.00 0.00 H new ATOM 0 HA MET A 60 6.446 -3.556 -2.675 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.006 -3.667 -0.860 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.852 -3.157 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.894 -5.287 -3.303 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.140 -5.792 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.469 -5.676 -4.239 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.669 -4.112 -3.414 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.003 -4.785 -4.381 1.00 0.00 H new ATOM 940 N ILE A 61 5.512 -1.065 -0.696 1.00 0.00 N ATOM 941 CA ILE A 61 5.415 0.391 -0.592 1.00 0.00 C ATOM 942 C ILE A 61 6.706 1.069 -1.057 1.00 0.00 C ATOM 943 O ILE A 61 6.730 1.732 -2.092 1.00 0.00 O ATOM 944 CB ILE A 61 5.127 0.787 0.859 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.715 0.332 1.231 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.241 2.303 1.021 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.692 -0.103 2.692 1.00 0.00 C ATOM 0 H ILE A 61 5.317 -1.563 0.173 1.00 0.00 H new ATOM 0 HA ILE A 61 4.601 0.722 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 61 5.853 0.308 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.005 1.144 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.406 -0.493 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.034 2.575 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.249 2.622 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.521 2.794 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.686 -0.428 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.390 -0.927 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.983 0.735 3.326 1.00 0.00 H new ATOM 959 N ASP A 62 7.773 0.902 -0.269 1.00 0.00 N ATOM 960 CA ASP A 62 9.073 1.506 -0.590 1.00 0.00 C ATOM 961 C ASP A 62 9.510 1.191 -2.026 1.00 0.00 C ATOM 962 O ASP A 62 10.128 2.027 -2.689 1.00 0.00 O ATOM 963 CB ASP A 62 10.147 0.995 0.374 1.00 0.00 C ATOM 964 CG ASP A 62 10.030 1.726 1.708 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.244 1.288 2.534 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.726 2.712 1.886 1.00 0.00 O ATOM 0 H ASP A 62 7.764 0.356 0.593 1.00 0.00 H new ATOM 0 HA ASP A 62 8.958 2.585 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.033 -0.078 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.137 1.153 -0.053 1.00 0.00 H new ATOM 971 N GLU A 63 9.193 -0.020 -2.494 1.00 0.00 N ATOM 972 CA GLU A 63 9.570 -0.435 -3.851 1.00 0.00 C ATOM 973 C GLU A 63 8.853 0.400 -4.916 1.00 0.00 C ATOM 974 O GLU A 63 9.473 0.851 -5.880 1.00 0.00 O ATOM 975 CB GLU A 63 9.230 -1.912 -4.074 1.00 0.00 C ATOM 976 CG GLU A 63 10.362 -2.791 -3.532 1.00 0.00 C ATOM 977 CD GLU A 63 11.454 -2.933 -4.588 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.315 -3.790 -5.446 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.415 -2.184 -4.522 1.00 0.00 O ATOM 0 H GLU A 63 8.682 -0.724 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 63 10.645 -0.280 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.294 -2.159 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.084 -2.105 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.775 -2.350 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.975 -3.773 -3.261 1.00 0.00 H new ATOM 986 N VAL A 64 7.542 0.586 -4.742 1.00 0.00 N ATOM 987 CA VAL A 64 6.747 1.355 -5.711 1.00 0.00 C ATOM 988 C VAL A 64 6.875 2.866 -5.488 1.00 0.00 C ATOM 989 O VAL A 64 6.637 3.648 -6.409 1.00 0.00 O ATOM 990 CB VAL A 64 5.262 0.968 -5.636 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.113 -0.551 -5.766 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.664 1.432 -4.302 1.00 0.00 C ATOM 0 H VAL A 64 7.011 0.221 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 64 7.143 1.111 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 64 4.729 1.454 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.058 -0.819 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.522 -0.876 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.654 -1.040 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.611 1.153 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.199 0.958 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.756 2.515 -4.219 1.00 0.00 H new ATOM 1002 N ASP A 65 7.236 3.272 -4.264 1.00 0.00 N ATOM 1003 CA ASP A 65 7.371 4.695 -3.955 1.00 0.00 C ATOM 1004 C ASP A 65 8.572 5.276 -4.703 1.00 0.00 C ATOM 1005 O ASP A 65 9.708 5.241 -4.225 1.00 0.00 O ATOM 1006 CB ASP A 65 7.538 4.913 -2.444 1.00 0.00 C ATOM 1007 CG ASP A 65 6.711 6.122 -2.008 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.963 7.205 -2.508 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.833 5.946 -1.180 1.00 0.00 O ATOM 0 H ASP A 65 7.436 2.644 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 65 6.463 5.206 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.217 4.025 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.589 5.072 -2.203 1.00 0.00 H new ATOM 1014 N GLU A 66 8.296 5.785 -5.906 1.00 0.00 N ATOM 1015 CA GLU A 66 9.342 6.354 -6.764 1.00 0.00 C ATOM 1016 C GLU A 66 9.943 7.629 -6.165 1.00 0.00 C ATOM 1017 O GLU A 66 11.156 7.835 -6.226 1.00 0.00 O ATOM 1018 CB GLU A 66 8.774 6.675 -8.152 1.00 0.00 C ATOM 1019 CG GLU A 66 8.708 5.394 -8.990 1.00 0.00 C ATOM 1020 CD GLU A 66 10.086 5.088 -9.575 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.406 5.648 -10.610 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.798 4.297 -8.978 1.00 0.00 O ATOM 0 H GLU A 66 7.359 5.816 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 66 10.131 5.607 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.779 7.111 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.400 7.415 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.372 4.561 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.980 5.510 -9.792 1.00 0.00 H new ATOM 1029 N ASP A 67 9.088 8.485 -5.599 1.00 0.00 N ATOM 1030 CA ASP A 67 9.566 9.743 -5.007 1.00 0.00 C ATOM 1031 C ASP A 67 10.035 9.541 -3.561 1.00 0.00 C ATOM 1032 O ASP A 67 11.006 10.165 -3.127 1.00 0.00 O ATOM 1033 CB ASP A 67 8.480 10.836 -5.042 1.00 0.00 C ATOM 1034 CG ASP A 67 7.100 10.254 -4.727 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.844 9.973 -3.568 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.317 10.103 -5.652 1.00 0.00 O ATOM 0 H ASP A 67 8.081 8.338 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 67 10.412 10.068 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.722 11.616 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.464 11.305 -6.026 1.00 0.00 H new ATOM 1041 N GLY A 68 9.335 8.676 -2.819 1.00 0.00 N ATOM 1042 CA GLY A 68 9.688 8.416 -1.422 1.00 0.00 C ATOM 1043 C GLY A 68 9.356 9.630 -0.560 1.00 0.00 C ATOM 1044 O GLY A 68 10.192 10.110 0.209 1.00 0.00 O ATOM 0 H GLY A 68 8.530 8.150 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.145 7.543 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.751 8.186 -1.345 1.00 0.00 H new ATOM 1048 N SER A 69 8.126 10.130 -0.712 1.00 0.00 N ATOM 1049 CA SER A 69 7.682 11.303 0.039 1.00 0.00 C ATOM 1050 C SER A 69 7.076 10.901 1.385 1.00 0.00 C ATOM 1051 O SER A 69 7.466 11.420 2.432 1.00 0.00 O ATOM 1052 CB SER A 69 6.640 12.085 -0.768 1.00 0.00 C ATOM 1053 OG SER A 69 5.630 11.195 -1.235 1.00 0.00 O ATOM 0 H SER A 69 7.426 9.742 -1.344 1.00 0.00 H new ATOM 0 HA SER A 69 8.555 11.930 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.195 12.863 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.118 12.583 -1.611 1.00 0.00 H new ATOM 0 HG SER A 69 5.917 10.788 -2.079 1.00 0.00 H new ATOM 1059 N GLY A 70 6.111 9.982 1.338 1.00 0.00 N ATOM 1060 CA GLY A 70 5.438 9.516 2.553 1.00 0.00 C ATOM 1061 C GLY A 70 4.046 8.973 2.223 1.00 0.00 C ATOM 1062 O GLY A 70 3.551 8.062 2.888 1.00 0.00 O ATOM 0 H GLY A 70 5.779 9.547 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.034 8.738 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.355 10.336 3.266 1.00 0.00 H new ATOM 1066 N THR A 71 3.427 9.545 1.184 1.00 0.00 N ATOM 1067 CA THR A 71 2.096 9.116 0.755 1.00 0.00 C ATOM 1068 C THR A 71 2.195 8.341 -0.557 1.00 0.00 C ATOM 1069 O THR A 71 3.103 8.569 -1.360 1.00 0.00 O ATOM 1070 CB THR A 71 1.168 10.326 0.558 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.598 11.087 -0.568 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.192 11.204 1.811 1.00 0.00 C ATOM 0 H THR A 71 3.826 10.302 0.629 1.00 0.00 H new ATOM 0 HA THR A 71 1.680 8.475 1.532 1.00 0.00 H new ATOM 0 HB THR A 71 0.152 9.972 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.243 11.998 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.533 12.061 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.851 10.624 2.669 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.209 11.554 1.991 1.00 0.00 H new ATOM 1080 N VAL A 72 1.250 7.425 -0.768 1.00 0.00 N ATOM 1081 CA VAL A 72 1.245 6.625 -1.993 1.00 0.00 C ATOM 1082 C VAL A 72 0.342 7.268 -3.039 1.00 0.00 C ATOM 1083 O VAL A 72 -0.853 7.464 -2.811 1.00 0.00 O ATOM 1084 CB VAL A 72 0.760 5.199 -1.720 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.962 4.343 -2.976 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.558 4.598 -0.560 1.00 0.00 C ATOM 0 H VAL A 72 0.490 7.220 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 72 2.269 6.583 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.298 5.220 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.617 3.327 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.393 4.769 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.020 4.324 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.211 3.583 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.617 4.577 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.415 5.206 0.333 1.00 0.00 H new ATOM 1096 N ASP A 73 0.928 7.581 -4.193 1.00 0.00 N ATOM 1097 CA ASP A 73 0.174 8.199 -5.284 1.00 0.00 C ATOM 1098 C ASP A 73 -0.534 7.125 -6.104 1.00 0.00 C ATOM 1099 O ASP A 73 -0.310 5.929 -5.909 1.00 0.00 O ATOM 1100 CB ASP A 73 1.108 8.989 -6.214 1.00 0.00 C ATOM 1101 CG ASP A 73 1.903 10.023 -5.418 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.902 9.650 -4.824 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.505 11.177 -5.422 1.00 0.00 O ATOM 0 H ASP A 73 1.914 7.419 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.557 8.878 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.791 8.306 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.524 9.487 -6.988 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.387 7.566 -7.028 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.122 6.633 -7.884 1.00 0.00 C ATOM 1110 C PHE A 74 -1.153 5.837 -8.763 1.00 0.00 C ATOM 1111 O PHE A 74 -1.379 4.659 -9.040 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.115 7.392 -8.775 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.165 6.448 -9.319 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.666 5.405 -8.526 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.643 6.624 -10.622 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.638 4.541 -9.041 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.616 5.761 -11.135 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.113 4.719 -10.344 1.00 0.00 C ATOM 0 H PHE A 74 -1.585 8.551 -7.203 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.671 5.944 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.593 8.187 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.583 7.868 -9.599 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.301 5.269 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.260 7.428 -11.233 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.022 3.736 -8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.984 5.898 -12.141 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.864 4.052 -10.740 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.061 6.490 -9.180 1.00 0.00 N ATOM 1129 CA ASP A 75 0.949 5.831 -10.011 1.00 0.00 C ATOM 1130 C ASP A 75 1.695 4.766 -9.207 1.00 0.00 C ATOM 1131 O ASP A 75 1.991 3.687 -9.718 1.00 0.00 O ATOM 1132 CB ASP A 75 1.958 6.854 -10.545 1.00 0.00 C ATOM 1133 CG ASP A 75 1.489 7.373 -11.901 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.756 8.349 -11.918 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.867 6.786 -12.902 1.00 0.00 O ATOM 0 H ASP A 75 0.143 7.464 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 75 0.436 5.358 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.059 7.681 -9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.942 6.394 -10.640 1.00 0.00 H new ATOM 1140 N GLU A 76 1.977 5.079 -7.935 1.00 0.00 N ATOM 1141 CA GLU A 76 2.673 4.136 -7.051 1.00 0.00 C ATOM 1142 C GLU A 76 1.711 3.036 -6.585 1.00 0.00 C ATOM 1143 O GLU A 76 2.130 1.935 -6.225 1.00 0.00 O ATOM 1144 CB GLU A 76 3.230 4.855 -5.811 1.00 0.00 C ATOM 1145 CG GLU A 76 3.813 6.220 -6.206 1.00 0.00 C ATOM 1146 CD GLU A 76 4.532 6.851 -5.010 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.940 6.912 -3.944 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.663 7.270 -5.180 1.00 0.00 O ATOM 0 H GLU A 76 1.736 5.969 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 76 3.496 3.699 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.439 4.989 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.002 4.244 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.509 6.100 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.016 6.879 -6.550 1.00 0.00 H new ATOM 1155 N PHE A 77 0.414 3.360 -6.597 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.626 2.421 -6.175 1.00 0.00 C ATOM 1157 C PHE A 77 -0.893 1.366 -7.259 1.00 0.00 C ATOM 1158 O PHE A 77 -1.170 0.205 -6.950 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.919 3.197 -5.876 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.034 2.250 -5.500 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.092 1.708 -4.210 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.012 1.918 -6.446 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.129 0.832 -3.868 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.049 1.044 -6.102 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.107 0.500 -4.814 1.00 0.00 C ATOM 0 H PHE A 77 0.060 4.269 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.285 1.905 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.746 3.904 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.209 3.780 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.338 1.965 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.966 2.336 -7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.175 0.412 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.805 0.789 -6.830 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.906 -0.176 -4.549 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.820 1.782 -8.528 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.072 0.865 -9.645 1.00 0.00 C ATOM 1177 C LEU A 78 0.152 0.000 -9.959 1.00 0.00 C ATOM 1178 O LEU A 78 0.017 -1.192 -10.244 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.457 1.652 -10.895 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.839 2.309 -10.846 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.762 3.699 -11.477 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.841 1.448 -11.619 1.00 0.00 C ATOM 0 H LEU A 78 -0.591 2.736 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.890 0.210 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.709 2.427 -11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.420 0.982 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.165 2.399 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.745 4.169 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.048 4.310 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.438 3.610 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.825 1.915 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.519 1.357 -12.656 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.894 0.457 -11.168 1.00 0.00 H new ATOM 1194 N VAL A 79 1.347 0.605 -9.909 1.00 0.00 N ATOM 1195 CA VAL A 79 2.585 -0.135 -10.197 1.00 0.00 C ATOM 1196 C VAL A 79 2.756 -1.317 -9.239 1.00 0.00 C ATOM 1197 O VAL A 79 3.377 -2.314 -9.586 1.00 0.00 O ATOM 1198 CB VAL A 79 3.829 0.759 -10.088 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.847 1.774 -11.235 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.834 1.497 -8.745 1.00 0.00 C ATOM 0 H VAL A 79 1.483 1.589 -9.676 1.00 0.00 H new ATOM 0 HA VAL A 79 2.493 -0.495 -11.222 1.00 0.00 H new ATOM 0 HB VAL A 79 4.717 0.131 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.733 2.404 -11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.868 1.246 -12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.953 2.396 -11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.721 2.127 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.941 2.117 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.844 0.772 -7.931 1.00 0.00 H new ATOM 1210 N MET A 80 2.199 -1.181 -8.032 1.00 0.00 N ATOM 1211 CA MET A 80 2.286 -2.231 -7.008 1.00 0.00 C ATOM 1212 C MET A 80 2.013 -3.629 -7.580 1.00 0.00 C ATOM 1213 O MET A 80 2.607 -4.612 -7.133 1.00 0.00 O ATOM 1214 CB MET A 80 1.273 -1.956 -5.895 1.00 0.00 C ATOM 1215 CG MET A 80 1.915 -1.091 -4.810 1.00 0.00 C ATOM 1216 SD MET A 80 0.622 -0.214 -3.898 1.00 0.00 S ATOM 1217 CE MET A 80 -0.122 -1.660 -3.104 1.00 0.00 C ATOM 0 H MET A 80 1.681 -0.353 -7.738 1.00 0.00 H new ATOM 0 HA MET A 80 3.305 -2.212 -6.620 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.398 -1.451 -6.304 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.927 -2.896 -5.466 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.497 -1.713 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.606 -0.378 -5.259 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.114 -1.402 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.205 -2.470 -3.828 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.504 -1.980 -2.271 1.00 0.00 H new ATOM 1227 N MET A 81 1.106 -3.714 -8.557 1.00 0.00 N ATOM 1228 CA MET A 81 0.768 -5.007 -9.161 1.00 0.00 C ATOM 1229 C MET A 81 1.822 -5.441 -10.182 1.00 0.00 C ATOM 1230 O MET A 81 2.302 -6.575 -10.148 1.00 0.00 O ATOM 1231 CB MET A 81 -0.596 -4.937 -9.853 1.00 0.00 C ATOM 1232 CG MET A 81 -1.699 -5.197 -8.827 1.00 0.00 C ATOM 1233 SD MET A 81 -3.033 -6.145 -9.600 1.00 0.00 S ATOM 1234 CE MET A 81 -3.345 -7.268 -8.216 1.00 0.00 C ATOM 0 H MET A 81 0.599 -2.917 -8.942 1.00 0.00 H new ATOM 0 HA MET A 81 0.736 -5.740 -8.355 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.734 -3.958 -10.311 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.648 -5.674 -10.654 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.296 -5.745 -7.975 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.085 -4.252 -8.445 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.310 -7.756 -8.354 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.559 -8.023 -8.176 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.354 -6.703 -7.284 1.00 0.00 H new ATOM 1244 N VAL A 82 2.162 -4.534 -11.101 1.00 0.00 N ATOM 1245 CA VAL A 82 3.149 -4.841 -12.148 1.00 0.00 C ATOM 1246 C VAL A 82 4.568 -4.979 -11.583 1.00 0.00 C ATOM 1247 O VAL A 82 5.352 -5.786 -12.081 1.00 0.00 O ATOM 1248 CB VAL A 82 3.147 -3.768 -13.252 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.912 -3.947 -14.138 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.124 -2.364 -12.636 1.00 0.00 C ATOM 0 H VAL A 82 1.776 -3.591 -11.145 1.00 0.00 H new ATOM 0 HA VAL A 82 2.852 -5.799 -12.574 1.00 0.00 H new ATOM 0 HB VAL A 82 4.053 -3.880 -13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.911 -3.187 -14.919 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.932 -4.937 -14.595 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.012 -3.845 -13.532 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.123 -1.618 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.227 -2.248 -12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.006 -2.227 -12.011 1.00 0.00 H new ATOM 1260 N ARG A 83 4.895 -4.199 -10.542 1.00 0.00 N ATOM 1261 CA ARG A 83 6.234 -4.267 -9.934 1.00 0.00 C ATOM 1262 C ARG A 83 6.535 -5.670 -9.388 1.00 0.00 C ATOM 1263 O ARG A 83 7.696 -6.020 -9.166 1.00 0.00 O ATOM 1264 CB ARG A 83 6.375 -3.243 -8.798 1.00 0.00 C ATOM 1265 CG ARG A 83 5.339 -3.522 -7.702 1.00 0.00 C ATOM 1266 CD ARG A 83 6.047 -3.777 -6.368 1.00 0.00 C ATOM 1267 NE ARG A 83 6.235 -5.213 -6.142 1.00 0.00 N ATOM 1268 CZ ARG A 83 7.019 -5.675 -5.157 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.629 -4.848 -4.342 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.172 -6.966 -5.005 1.00 0.00 N ATOM 0 H ARG A 83 4.264 -3.525 -10.109 1.00 0.00 H new ATOM 0 HA ARG A 83 6.951 -4.035 -10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.380 -3.290 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.239 -2.235 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.660 -2.675 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.734 -4.387 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.014 -3.274 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.462 -3.350 -5.554 1.00 0.00 H new ATOM 0 HE ARG A 83 5.757 -5.878 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.510 -3.841 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.223 -5.212 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.696 -7.613 -5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.767 -7.325 -4.258 1.00 0.00 H new ATOM 1284 N CYS A 84 5.481 -6.473 -9.184 1.00 0.00 N ATOM 1285 CA CYS A 84 5.649 -7.836 -8.677 1.00 0.00 C ATOM 1286 C CYS A 84 6.276 -8.750 -9.740 1.00 0.00 C ATOM 1287 O CYS A 84 6.744 -9.846 -9.426 1.00 0.00 O ATOM 1288 CB CYS A 84 4.297 -8.419 -8.257 1.00 0.00 C ATOM 1289 SG CYS A 84 4.546 -9.657 -6.959 1.00 0.00 S ATOM 0 H CYS A 84 4.513 -6.203 -9.361 1.00 0.00 H new ATOM 0 HA CYS A 84 6.314 -7.785 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.644 -7.625 -7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.802 -8.872 -9.116 1.00 0.00 H new ATOM 0 HG CYS A 84 3.397 -10.149 -6.603 1.00 0.00 H new