USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 701 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 71 CYS SG : rot 180:sc=0.000165 USER MOD Set 1.2: A 116 SER OG : rot 180:sc= -0.0965 USER MOD Set 2.1: A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 69 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= -0.41 (180deg=-1.45) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 38 MET CE :methyl -137:sc= -3.85! (180deg=-9.2!) USER MOD Single : A 39 TYR OH : rot 172:sc= -0.364 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 42:sc= 0.677 USER MOD Single : A 76 SER OG : rot -79:sc= -4.67! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -81:sc= 0.342 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.57) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 90 THR OG1 : rot -59:sc= -0.975! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -1:sc= 0.229 USER MOD Single : A 95 CYS SG : rot 103:sc= 0.491 USER MOD Single : A 98 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.2) USER MOD Single : A 105 MET CE :methyl 163:sc= -1.61 (180deg=-2.54!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 113 GLN : amide:sc= -2.32! K(o=-2.3!,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.377 X(o=0.38,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.530 -12.082 -6.419 1.00 0.00 N ATOM 79 CA ALA A 9 -5.194 -10.943 -5.575 1.00 0.00 C ATOM 80 C ALA A 9 -6.322 -9.917 -5.563 1.00 0.00 C ATOM 81 O ALA A 9 -6.696 -9.379 -6.604 1.00 0.00 O ATOM 82 CB ALA A 9 -3.898 -10.300 -6.048 1.00 0.00 C ATOM 0 HA ALA A 9 -5.057 -11.305 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.659 -9.450 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.090 -11.030 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.016 -9.958 -7.076 1.00 0.00 H new ATOM 88 N ALA A 10 -6.861 -9.651 -4.377 1.00 0.00 N ATOM 89 CA ALA A 10 -7.945 -8.688 -4.230 1.00 0.00 C ATOM 90 C ALA A 10 -7.798 -7.539 -5.221 1.00 0.00 C ATOM 91 O ALA A 10 -8.748 -7.179 -5.916 1.00 0.00 O ATOM 92 CB ALA A 10 -7.989 -8.157 -2.805 1.00 0.00 C ATOM 0 H ALA A 10 -6.564 -10.089 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.883 -9.199 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.803 -7.439 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.151 -8.984 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.044 -7.668 -2.570 1.00 0.00 H new ATOM 98 N LYS A 11 -6.601 -6.965 -5.280 1.00 0.00 N ATOM 99 CA LYS A 11 -6.328 -5.856 -6.187 1.00 0.00 C ATOM 100 C LYS A 11 -4.832 -5.727 -6.454 1.00 0.00 C ATOM 101 O LYS A 11 -4.009 -6.139 -5.637 1.00 0.00 O ATOM 102 CB LYS A 11 -6.867 -4.548 -5.602 1.00 0.00 C ATOM 103 CG LYS A 11 -6.711 -3.357 -6.532 1.00 0.00 C ATOM 104 CD LYS A 11 -7.813 -2.333 -6.316 1.00 0.00 C ATOM 105 CE LYS A 11 -7.443 -0.982 -6.909 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.766 -0.907 -8.361 1.00 0.00 N ATOM 0 H LYS A 11 -5.804 -7.250 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.832 -6.060 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.923 -4.675 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.350 -4.338 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.741 -2.889 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.728 -3.698 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.737 -2.690 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.005 -2.223 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.976 -0.194 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.378 -0.801 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.499 0.029 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.238 -1.643 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.786 -1.054 -8.498 1.00 0.00 H new ATOM 120 N GLU A 12 -4.488 -5.153 -7.603 1.00 0.00 N ATOM 121 CA GLU A 12 -3.090 -4.970 -7.976 1.00 0.00 C ATOM 122 C GLU A 12 -2.913 -3.715 -8.826 1.00 0.00 C ATOM 123 O GLU A 12 -3.839 -3.280 -9.509 1.00 0.00 O ATOM 124 CB GLU A 12 -2.579 -6.193 -8.740 1.00 0.00 C ATOM 125 CG GLU A 12 -3.381 -6.507 -9.992 1.00 0.00 C ATOM 126 CD GLU A 12 -3.202 -7.940 -10.455 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.055 -8.432 -10.436 1.00 0.00 O ATOM 128 OE2 GLU A 12 -4.211 -8.570 -10.837 1.00 0.00 O ATOM 0 H GLU A 12 -5.157 -4.807 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.509 -4.853 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.538 -6.029 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.600 -7.059 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.437 -6.321 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.079 -5.830 -10.792 1.00 0.00 H new ATOM 135 N GLY A 13 -1.716 -3.138 -8.778 1.00 0.00 N ATOM 136 CA GLY A 13 -1.439 -1.939 -9.547 1.00 0.00 C ATOM 137 C GLY A 13 -0.221 -1.194 -9.039 1.00 0.00 C ATOM 138 O GLY A 13 0.076 -1.217 -7.845 1.00 0.00 O ATOM 0 H GLY A 13 -0.933 -3.480 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.287 -2.208 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.306 -1.279 -9.511 1.00 0.00 H new ATOM 142 N TRP A 14 0.487 -0.533 -9.948 1.00 0.00 N ATOM 143 CA TRP A 14 1.681 0.222 -9.586 1.00 0.00 C ATOM 144 C TRP A 14 1.323 1.431 -8.729 1.00 0.00 C ATOM 145 O TRP A 14 0.557 2.298 -9.151 1.00 0.00 O ATOM 146 CB TRP A 14 2.424 0.675 -10.844 1.00 0.00 C ATOM 147 CG TRP A 14 3.091 -0.449 -11.577 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.518 -1.285 -12.493 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.457 -0.861 -11.455 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.445 -2.192 -12.947 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.642 -1.952 -12.327 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.541 -0.414 -10.696 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.868 -2.601 -12.457 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.757 -1.058 -10.826 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.912 -2.141 -11.702 1.00 0.00 C ATOM 0 H TRP A 14 0.255 -0.505 -10.941 1.00 0.00 H new ATOM 0 HA TRP A 14 2.331 -0.432 -9.004 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.721 1.170 -11.514 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.175 1.415 -10.567 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.488 -1.240 -12.813 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.270 -2.925 -13.634 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.431 0.420 -10.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.990 -3.437 -13.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.601 -0.721 -10.243 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.875 -2.622 -11.783 1.00 0.00 H new ATOM 166 N LEU A 15 1.880 1.483 -7.524 1.00 0.00 N ATOM 167 CA LEU A 15 1.619 2.587 -6.608 1.00 0.00 C ATOM 168 C LEU A 15 2.892 3.001 -5.877 1.00 0.00 C ATOM 169 O LEU A 15 3.764 2.173 -5.608 1.00 0.00 O ATOM 170 CB LEU A 15 0.542 2.192 -5.596 1.00 0.00 C ATOM 171 CG LEU A 15 -0.692 1.493 -6.167 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.522 0.878 -5.051 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.529 2.469 -6.981 1.00 0.00 C ATOM 0 H LEU A 15 2.515 0.773 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 15 1.266 3.436 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.994 1.537 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.216 3.091 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.359 0.692 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.396 0.385 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.920 0.147 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.845 1.660 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.403 1.954 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.852 3.292 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.932 2.861 -7.804 1.00 0.00 H new ATOM 185 N HIS A 16 2.993 4.287 -5.555 1.00 0.00 N ATOM 186 CA HIS A 16 4.159 4.810 -4.853 1.00 0.00 C ATOM 187 C HIS A 16 4.065 4.524 -3.357 1.00 0.00 C ATOM 188 O HIS A 16 3.246 5.113 -2.652 1.00 0.00 O ATOM 189 CB HIS A 16 4.289 6.315 -5.088 1.00 0.00 C ATOM 190 CG HIS A 16 4.551 6.677 -6.518 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.756 6.441 -7.146 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.754 7.260 -7.444 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.689 6.864 -8.395 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.485 7.366 -8.602 1.00 0.00 N ATOM 0 H HIS A 16 2.281 4.986 -5.769 1.00 0.00 H new ATOM 0 HA HIS A 16 5.044 4.310 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.373 6.806 -4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.098 6.703 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.733 7.582 -7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.484 6.809 -9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.152 7.767 -9.479 1.00 0.00 H new ATOM 203 N PHE A 17 4.909 3.616 -2.879 1.00 0.00 N ATOM 204 CA PHE A 17 4.921 3.250 -1.468 1.00 0.00 C ATOM 205 C PHE A 17 5.958 4.067 -0.703 1.00 0.00 C ATOM 206 O PHE A 17 7.162 3.855 -0.849 1.00 0.00 O ATOM 207 CB PHE A 17 5.213 1.756 -1.309 1.00 0.00 C ATOM 208 CG PHE A 17 5.764 1.394 0.041 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.955 1.427 1.165 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.090 1.021 0.185 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.458 1.093 2.409 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.599 0.686 1.426 1.00 0.00 C ATOM 213 CZ PHE A 17 6.782 0.723 2.539 1.00 0.00 C ATOM 0 H PHE A 17 5.594 3.120 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 17 3.936 3.467 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.295 1.194 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.923 1.449 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.919 1.717 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.734 0.992 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.816 1.121 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.635 0.396 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.178 0.463 3.510 1.00 0.00 H new ATOM 223 N ARG A 18 5.481 5.001 0.114 1.00 0.00 N ATOM 224 CA ARG A 18 6.365 5.852 0.901 1.00 0.00 C ATOM 225 C ARG A 18 6.121 5.656 2.394 1.00 0.00 C ATOM 226 O ARG A 18 5.191 6.217 2.975 1.00 0.00 O ATOM 227 CB ARG A 18 6.160 7.321 0.528 1.00 0.00 C ATOM 228 CG ARG A 18 7.233 8.245 1.080 1.00 0.00 C ATOM 229 CD ARG A 18 6.826 9.706 0.959 1.00 0.00 C ATOM 230 NE ARG A 18 7.778 10.595 1.618 1.00 0.00 N ATOM 231 CZ ARG A 18 7.492 11.841 1.979 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.286 12.342 1.745 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.411 12.589 2.575 1.00 0.00 N ATOM 0 H ARG A 18 4.487 5.187 0.248 1.00 0.00 H new ATOM 0 HA ARG A 18 7.394 5.568 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.138 7.412 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.187 7.648 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.420 8.004 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.167 8.081 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.748 9.975 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.838 9.845 1.397 1.00 0.00 H new ATOM 0 HE ARG A 18 8.714 10.240 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.576 11.770 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.069 13.299 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.339 12.208 2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.189 13.545 2.851 1.00 0.00 H new ATOM 247 N PRO A 19 6.973 4.840 3.032 1.00 0.00 N ATOM 248 CA PRO A 19 6.870 4.551 4.465 1.00 0.00 C ATOM 249 C PRO A 19 7.227 5.758 5.327 1.00 0.00 C ATOM 250 O PRO A 19 8.146 6.513 5.006 1.00 0.00 O ATOM 251 CB PRO A 19 7.887 3.426 4.674 1.00 0.00 C ATOM 252 CG PRO A 19 8.877 3.601 3.576 1.00 0.00 C ATOM 253 CD PRO A 19 8.104 4.137 2.403 1.00 0.00 C ATOM 0 HA PRO A 19 5.854 4.285 4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.363 3.500 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.410 2.447 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.668 4.291 3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.356 2.654 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.709 4.811 1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.764 3.336 1.746 1.00 0.00 H new ATOM 261 N LEU A 20 6.495 5.934 6.421 1.00 0.00 N ATOM 262 CA LEU A 20 6.735 7.050 7.330 1.00 0.00 C ATOM 263 C LEU A 20 7.840 6.713 8.327 1.00 0.00 C ATOM 264 O LEU A 20 8.778 7.487 8.515 1.00 0.00 O ATOM 265 CB LEU A 20 5.450 7.409 8.079 1.00 0.00 C ATOM 266 CG LEU A 20 4.388 8.154 7.270 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.147 8.397 8.114 1.00 0.00 C ATOM 268 CD2 LEU A 20 4.944 9.469 6.744 1.00 0.00 C ATOM 0 H LEU A 20 5.731 5.319 6.701 1.00 0.00 H new ATOM 0 HA LEU A 20 7.055 7.907 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.008 6.490 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.715 8.019 8.942 1.00 0.00 H new ATOM 0 HG LEU A 20 4.107 7.535 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.402 8.928 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.736 7.442 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.411 8.996 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.175 9.986 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.254 10.094 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.803 9.270 6.103 1.00 0.00 H new ATOM 280 N VAL A 21 7.723 5.551 8.961 1.00 0.00 N ATOM 281 CA VAL A 21 8.714 5.109 9.936 1.00 0.00 C ATOM 282 C VAL A 21 9.050 3.634 9.747 1.00 0.00 C ATOM 283 O VAL A 21 8.310 2.894 9.098 1.00 0.00 O ATOM 284 CB VAL A 21 8.220 5.331 11.378 1.00 0.00 C ATOM 285 CG1 VAL A 21 9.382 5.693 12.290 1.00 0.00 C ATOM 286 CG2 VAL A 21 7.148 6.410 11.413 1.00 0.00 C ATOM 0 H VAL A 21 6.952 4.898 8.817 1.00 0.00 H new ATOM 0 HA VAL A 21 9.610 5.707 9.771 1.00 0.00 H new ATOM 0 HB VAL A 21 7.780 4.402 11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.014 5.846 13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.113 4.884 12.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.853 6.609 11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.810 6.554 12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.560 7.345 11.032 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.305 6.106 10.793 1.00 0.00 H new ATOM 495 N TRP A 35 9.431 8.525 -1.722 1.00 0.00 N ATOM 496 CA TRP A 35 8.529 7.539 -2.305 1.00 0.00 C ATOM 497 C TRP A 35 9.310 6.441 -3.019 1.00 0.00 C ATOM 498 O TRP A 35 10.411 6.673 -3.519 1.00 0.00 O ATOM 499 CB TRP A 35 7.566 8.214 -3.283 1.00 0.00 C ATOM 500 CG TRP A 35 6.726 9.281 -2.648 1.00 0.00 C ATOM 501 CD1 TRP A 35 7.098 10.569 -2.385 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.374 9.152 -2.196 1.00 0.00 C ATOM 503 NE1 TRP A 35 6.059 11.247 -1.796 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.990 10.400 -1.669 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.450 8.103 -2.185 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.722 10.626 -1.139 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.193 8.329 -1.658 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.838 9.582 -1.141 1.00 0.00 C ATOM 0 HA TRP A 35 7.956 7.085 -1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 35 8.138 8.651 -4.102 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.912 7.458 -3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 35 8.067 10.992 -2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.080 12.223 -1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.714 7.134 -2.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.446 11.591 -0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.471 7.526 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.847 9.726 -0.736 1.00 0.00 H new ATOM 519 N LYS A 36 8.735 5.244 -3.063 1.00 0.00 N ATOM 520 CA LYS A 36 9.376 4.110 -3.717 1.00 0.00 C ATOM 521 C LYS A 36 8.404 3.400 -4.653 1.00 0.00 C ATOM 522 O LYS A 36 7.655 2.519 -4.232 1.00 0.00 O ATOM 523 CB LYS A 36 9.905 3.125 -2.672 1.00 0.00 C ATOM 524 CG LYS A 36 11.084 3.658 -1.876 1.00 0.00 C ATOM 525 CD LYS A 36 11.969 2.531 -1.368 1.00 0.00 C ATOM 526 CE LYS A 36 11.293 1.751 -0.251 1.00 0.00 C ATOM 527 NZ LYS A 36 10.352 0.726 -0.781 1.00 0.00 N ATOM 0 H LYS A 36 7.825 5.034 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 36 10.211 4.488 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.099 2.870 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.202 2.203 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.672 4.330 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.720 4.244 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.209 1.857 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.912 2.942 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.051 1.265 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.752 2.440 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.390 0.931 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.366 0.746 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.642 -0.216 -0.449 1.00 0.00 H new ATOM 541 N GLN A 37 8.422 3.789 -5.924 1.00 0.00 N ATOM 542 CA GLN A 37 7.542 3.189 -6.919 1.00 0.00 C ATOM 543 C GLN A 37 7.826 1.698 -7.068 1.00 0.00 C ATOM 544 O GLN A 37 8.884 1.304 -7.558 1.00 0.00 O ATOM 545 CB GLN A 37 7.710 3.889 -8.268 1.00 0.00 C ATOM 546 CG GLN A 37 6.891 3.262 -9.385 1.00 0.00 C ATOM 547 CD GLN A 37 7.264 3.799 -10.753 1.00 0.00 C ATOM 548 OE1 GLN A 37 8.433 3.784 -11.142 1.00 0.00 O ATOM 549 NE2 GLN A 37 6.270 4.276 -11.493 1.00 0.00 N ATOM 0 H GLN A 37 9.036 4.517 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 37 6.514 3.313 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.424 4.936 -8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.763 3.873 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.033 2.181 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.832 3.447 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.316 4.269 -11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.460 4.649 -12.423 1.00 0.00 H new ATOM 558 N MET A 38 6.875 0.873 -6.643 1.00 0.00 N ATOM 559 CA MET A 38 7.024 -0.575 -6.730 1.00 0.00 C ATOM 560 C MET A 38 5.662 -1.257 -6.815 1.00 0.00 C ATOM 561 O MET A 38 4.756 -0.954 -6.039 1.00 0.00 O ATOM 562 CB MET A 38 7.798 -1.104 -5.521 1.00 0.00 C ATOM 563 CG MET A 38 7.133 -0.791 -4.190 1.00 0.00 C ATOM 564 SD MET A 38 8.229 -1.068 -2.785 1.00 0.00 S ATOM 565 CE MET A 38 8.615 -2.804 -2.994 1.00 0.00 C ATOM 0 H MET A 38 5.993 1.182 -6.235 1.00 0.00 H new ATOM 0 HA MET A 38 7.583 -0.804 -7.637 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.911 -2.184 -5.616 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.801 -0.677 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.802 0.248 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.242 -1.409 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.575 -3.305 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.890 -3.259 -3.668 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.615 -2.906 -3.415 1.00 0.00 H new ATOM 575 N TYR A 39 5.525 -2.179 -7.762 1.00 0.00 N ATOM 576 CA TYR A 39 4.273 -2.902 -7.949 1.00 0.00 C ATOM 577 C TYR A 39 3.720 -3.390 -6.613 1.00 0.00 C ATOM 578 O TYR A 39 4.343 -4.204 -5.931 1.00 0.00 O ATOM 579 CB TYR A 39 4.481 -4.088 -8.892 1.00 0.00 C ATOM 580 CG TYR A 39 3.214 -4.542 -9.583 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.558 -3.715 -10.486 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.675 -5.798 -9.332 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.400 -4.125 -11.118 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.519 -6.217 -9.961 1.00 0.00 C ATOM 585 CZ TYR A 39 0.885 -5.377 -10.853 1.00 0.00 C ATOM 586 OH TYR A 39 -0.267 -5.790 -11.482 1.00 0.00 O ATOM 0 H TYR A 39 6.266 -2.443 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 39 3.550 -2.217 -8.392 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.219 -3.816 -9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.896 -4.923 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.960 -2.735 -10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.168 -6.458 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.901 -3.469 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.114 -7.197 -9.756 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.425 -6.737 -11.286 1.00 0.00 H new ATOM 596 N VAL A 40 2.546 -2.886 -6.246 1.00 0.00 N ATOM 597 CA VAL A 40 1.907 -3.271 -4.994 1.00 0.00 C ATOM 598 C VAL A 40 0.710 -4.181 -5.244 1.00 0.00 C ATOM 599 O VAL A 40 -0.235 -3.806 -5.938 1.00 0.00 O ATOM 600 CB VAL A 40 1.442 -2.037 -4.198 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.550 -2.453 -3.039 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.640 -1.242 -3.701 1.00 0.00 C ATOM 0 H VAL A 40 2.018 -2.210 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 40 2.654 -3.810 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 40 0.859 -1.397 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.232 -1.568 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.326 -2.976 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.104 -3.114 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.293 -0.374 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.251 -1.871 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.235 -0.911 -4.552 1.00 0.00 H new ATOM 612 N VAL A 41 0.756 -5.381 -4.674 1.00 0.00 N ATOM 613 CA VAL A 41 -0.325 -6.346 -4.834 1.00 0.00 C ATOM 614 C VAL A 41 -0.973 -6.673 -3.493 1.00 0.00 C ATOM 615 O VAL A 41 -0.285 -6.887 -2.494 1.00 0.00 O ATOM 616 CB VAL A 41 0.177 -7.651 -5.480 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.966 -8.641 -5.644 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.839 -7.361 -6.819 1.00 0.00 C ATOM 0 H VAL A 41 1.531 -5.708 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.064 -5.886 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 41 0.921 -8.099 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.592 -9.556 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.391 -8.871 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.736 -8.205 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.188 -8.294 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.118 -6.890 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.686 -6.692 -6.669 1.00 0.00 H new ATOM 628 N LEU A 42 -2.301 -6.710 -3.477 1.00 0.00 N ATOM 629 CA LEU A 42 -3.043 -7.011 -2.258 1.00 0.00 C ATOM 630 C LEU A 42 -3.577 -8.440 -2.285 1.00 0.00 C ATOM 631 O LEU A 42 -4.396 -8.791 -3.135 1.00 0.00 O ATOM 632 CB LEU A 42 -4.200 -6.025 -2.086 1.00 0.00 C ATOM 633 CG LEU A 42 -5.207 -6.358 -0.984 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.552 -6.261 0.385 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.413 -5.434 -1.066 1.00 0.00 C ATOM 0 H LEU A 42 -2.886 -6.535 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.362 -6.913 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.783 -5.038 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.737 -5.957 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.549 -7.383 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.284 -6.501 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.721 -6.964 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.181 -5.248 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.119 -5.686 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.088 -4.400 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.897 -5.553 -2.035 1.00 0.00 H new ATOM 647 N ARG A 43 -3.110 -9.258 -1.349 1.00 0.00 N ATOM 648 CA ARG A 43 -3.542 -10.648 -1.265 1.00 0.00 C ATOM 649 C ARG A 43 -3.938 -11.009 0.164 1.00 0.00 C ATOM 650 O ARG A 43 -3.084 -11.267 1.010 1.00 0.00 O ATOM 651 CB ARG A 43 -2.428 -11.580 -1.747 1.00 0.00 C ATOM 652 CG ARG A 43 -2.145 -11.472 -3.236 1.00 0.00 C ATOM 653 CD ARG A 43 -1.382 -12.683 -3.748 1.00 0.00 C ATOM 654 NE ARG A 43 -0.107 -12.858 -3.058 1.00 0.00 N ATOM 655 CZ ARG A 43 0.908 -13.557 -3.555 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.797 -14.141 -4.740 1.00 0.00 N ATOM 657 NH2 ARG A 43 2.037 -13.670 -2.867 1.00 0.00 N ATOM 0 H ARG A 43 -2.432 -8.983 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.414 -10.771 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.515 -11.357 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.699 -12.609 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.085 -11.376 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.569 -10.568 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.991 -13.577 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.203 -12.573 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 43 0.011 -12.420 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.069 -14.054 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.577 -14.677 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.126 -13.220 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.816 -14.207 -3.249 1.00 0.00 H new ATOM 671 N GLY A 44 -5.242 -11.025 0.425 1.00 0.00 N ATOM 672 CA GLY A 44 -5.729 -11.354 1.751 1.00 0.00 C ATOM 673 C GLY A 44 -5.692 -10.167 2.694 1.00 0.00 C ATOM 674 O GLY A 44 -6.498 -9.244 2.574 1.00 0.00 O ATOM 0 H GLY A 44 -5.969 -10.816 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.752 -11.724 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.127 -12.162 2.166 1.00 0.00 H new ATOM 678 N HIS A 45 -4.754 -10.191 3.636 1.00 0.00 N ATOM 679 CA HIS A 45 -4.615 -9.109 4.604 1.00 0.00 C ATOM 680 C HIS A 45 -3.184 -8.580 4.626 1.00 0.00 C ATOM 681 O HIS A 45 -2.806 -7.822 5.520 1.00 0.00 O ATOM 682 CB HIS A 45 -5.016 -9.590 5.999 1.00 0.00 C ATOM 683 CG HIS A 45 -6.330 -10.308 6.031 1.00 0.00 C ATOM 684 ND1 HIS A 45 -6.475 -11.590 6.517 1.00 0.00 N ATOM 685 CD2 HIS A 45 -7.563 -9.916 5.634 1.00 0.00 C ATOM 686 CE1 HIS A 45 -7.740 -11.956 6.416 1.00 0.00 C ATOM 687 NE2 HIS A 45 -8.422 -10.958 5.884 1.00 0.00 N ATOM 0 H HIS A 45 -4.079 -10.948 3.749 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.278 -8.298 4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.240 -10.252 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.064 -8.732 6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.823 -8.961 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.148 -12.910 6.717 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.423 -10.961 5.690 1.00 0.00 H new ATOM 696 N SER A 46 -2.393 -8.986 3.638 1.00 0.00 N ATOM 697 CA SER A 46 -1.002 -8.556 3.548 1.00 0.00 C ATOM 698 C SER A 46 -0.702 -7.976 2.169 1.00 0.00 C ATOM 699 O SER A 46 -1.203 -8.463 1.155 1.00 0.00 O ATOM 700 CB SER A 46 -0.065 -9.731 3.834 1.00 0.00 C ATOM 701 OG SER A 46 -0.351 -10.317 5.092 1.00 0.00 O ATOM 0 H SER A 46 -2.691 -9.611 2.889 1.00 0.00 H new ATOM 0 HA SER A 46 -0.837 -7.779 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.166 -10.480 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.969 -9.388 3.816 1.00 0.00 H new ATOM 0 HG SER A 46 0.260 -11.066 5.250 1.00 0.00 H new ATOM 707 N LEU A 47 0.119 -6.932 2.140 1.00 0.00 N ATOM 708 CA LEU A 47 0.488 -6.283 0.887 1.00 0.00 C ATOM 709 C LEU A 47 1.871 -6.732 0.427 1.00 0.00 C ATOM 710 O LEU A 47 2.864 -6.536 1.129 1.00 0.00 O ATOM 711 CB LEU A 47 0.461 -4.762 1.049 1.00 0.00 C ATOM 712 CG LEU A 47 -0.873 -4.079 0.749 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.833 -2.619 1.174 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.211 -4.196 -0.730 1.00 0.00 C ATOM 0 H LEU A 47 0.542 -6.517 2.970 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.239 -6.574 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.748 -4.521 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.221 -4.333 0.395 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.653 -4.581 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.791 -2.149 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.637 -2.557 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.042 -2.103 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.164 -3.704 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.429 -3.719 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.283 -5.248 -1.005 1.00 0.00 H new ATOM 726 N TYR A 48 1.929 -7.334 -0.756 1.00 0.00 N ATOM 727 CA TYR A 48 3.191 -7.812 -1.309 1.00 0.00 C ATOM 728 C TYR A 48 3.701 -6.869 -2.395 1.00 0.00 C ATOM 729 O TYR A 48 3.210 -6.880 -3.524 1.00 0.00 O ATOM 730 CB TYR A 48 3.021 -9.221 -1.880 1.00 0.00 C ATOM 731 CG TYR A 48 2.546 -10.233 -0.862 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.305 -10.525 0.264 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.336 -10.897 -1.027 1.00 0.00 C ATOM 734 CE1 TYR A 48 2.875 -11.450 1.195 1.00 0.00 C ATOM 735 CE2 TYR A 48 0.897 -11.822 -0.099 1.00 0.00 C ATOM 736 CZ TYR A 48 1.670 -12.096 1.010 1.00 0.00 C ATOM 737 OH TYR A 48 1.237 -13.016 1.936 1.00 0.00 O ATOM 0 H TYR A 48 1.117 -7.503 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 48 3.924 -7.840 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.309 -9.186 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.973 -9.554 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.248 -10.020 0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.729 -10.686 -1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.479 -11.667 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.047 -12.328 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 48 0.370 -13.378 1.657 1.00 0.00 H new ATOM 747 N LEU A 49 4.690 -6.055 -2.044 1.00 0.00 N ATOM 748 CA LEU A 49 5.269 -5.105 -2.988 1.00 0.00 C ATOM 749 C LEU A 49 6.367 -5.762 -3.819 1.00 0.00 C ATOM 750 O LEU A 49 6.995 -6.727 -3.383 1.00 0.00 O ATOM 751 CB LEU A 49 5.835 -3.895 -2.242 1.00 0.00 C ATOM 752 CG LEU A 49 4.855 -3.147 -1.337 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.795 -3.796 0.037 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.250 -1.682 -1.220 1.00 0.00 C ATOM 0 H LEU A 49 5.108 -6.033 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 49 4.479 -4.773 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.677 -4.228 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.230 -3.192 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 49 3.863 -3.201 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.093 -3.250 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.465 -4.830 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.785 -3.774 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.542 -1.165 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.251 -1.608 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.240 -1.222 -2.208 1.00 0.00 H new ATOM 766 N TYR A 50 6.593 -5.233 -5.016 1.00 0.00 N ATOM 767 CA TYR A 50 7.615 -5.769 -5.907 1.00 0.00 C ATOM 768 C TYR A 50 8.291 -4.651 -6.695 1.00 0.00 C ATOM 769 O TYR A 50 7.636 -3.718 -7.160 1.00 0.00 O ATOM 770 CB TYR A 50 6.999 -6.785 -6.870 1.00 0.00 C ATOM 771 CG TYR A 50 6.221 -7.882 -6.177 1.00 0.00 C ATOM 772 CD1 TYR A 50 6.843 -8.741 -5.280 1.00 0.00 C ATOM 773 CD2 TYR A 50 4.864 -8.057 -6.419 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.137 -9.744 -4.645 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.150 -9.057 -5.788 1.00 0.00 C ATOM 776 CZ TYR A 50 4.791 -9.898 -4.902 1.00 0.00 C ATOM 777 OH TYR A 50 4.083 -10.895 -4.271 1.00 0.00 O ATOM 0 H TYR A 50 6.083 -4.434 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 50 8.369 -6.266 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.337 -6.263 -7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.793 -7.235 -7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.897 -8.623 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.359 -7.400 -7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.636 -10.404 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.096 -9.180 -5.987 1.00 0.00 H new ATOM 0 HH TYR A 50 3.148 -10.866 -4.562 1.00 0.00 H new ATOM 787 N LYS A 51 9.608 -4.752 -6.842 1.00 0.00 N ATOM 788 CA LYS A 51 10.376 -3.752 -7.574 1.00 0.00 C ATOM 789 C LYS A 51 10.114 -3.856 -9.073 1.00 0.00 C ATOM 790 O LYS A 51 10.254 -2.877 -9.807 1.00 0.00 O ATOM 791 CB LYS A 51 11.870 -3.921 -7.294 1.00 0.00 C ATOM 792 CG LYS A 51 12.421 -5.271 -7.720 1.00 0.00 C ATOM 793 CD LYS A 51 13.797 -5.525 -7.129 1.00 0.00 C ATOM 794 CE LYS A 51 14.895 -4.935 -8.001 1.00 0.00 C ATOM 795 NZ LYS A 51 16.161 -5.713 -7.900 1.00 0.00 N ATOM 0 H LYS A 51 10.166 -5.517 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 51 10.059 -2.766 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.419 -3.134 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.049 -3.786 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.738 -6.059 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.478 -5.315 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.851 -5.091 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.955 -6.598 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.563 -4.915 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.079 -3.902 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.884 -5.279 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.492 -5.711 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.992 -6.692 -8.207 1.00 0.00 H new ATOM 809 N ASP A 52 9.733 -5.048 -9.522 1.00 0.00 N ATOM 810 CA ASP A 52 9.450 -5.278 -10.933 1.00 0.00 C ATOM 811 C ASP A 52 8.332 -6.303 -11.102 1.00 0.00 C ATOM 812 O ASP A 52 8.368 -7.381 -10.507 1.00 0.00 O ATOM 813 CB ASP A 52 10.710 -5.755 -11.657 1.00 0.00 C ATOM 814 CG ASP A 52 11.712 -4.638 -11.870 1.00 0.00 C ATOM 815 OD1 ASP A 52 11.441 -3.747 -12.703 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.768 -4.653 -11.203 1.00 0.00 O ATOM 0 H ASP A 52 9.613 -5.869 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 52 9.124 -4.335 -11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.177 -6.553 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.433 -6.179 -12.622 1.00 0.00 H new ATOM 821 N LYS A 53 7.341 -5.961 -11.918 1.00 0.00 N ATOM 822 CA LYS A 53 6.212 -6.850 -12.166 1.00 0.00 C ATOM 823 C LYS A 53 6.547 -7.862 -13.258 1.00 0.00 C ATOM 824 O LYS A 53 5.721 -8.151 -14.123 1.00 0.00 O ATOM 825 CB LYS A 53 4.977 -6.041 -12.567 1.00 0.00 C ATOM 826 CG LYS A 53 3.682 -6.830 -12.493 1.00 0.00 C ATOM 827 CD LYS A 53 2.622 -6.251 -13.414 1.00 0.00 C ATOM 828 CE LYS A 53 1.511 -7.254 -13.686 1.00 0.00 C ATOM 829 NZ LYS A 53 0.645 -6.828 -14.821 1.00 0.00 N ATOM 0 H LYS A 53 7.297 -5.074 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 53 5.999 -7.392 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.898 -5.168 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.110 -5.671 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.872 -7.869 -12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.313 -6.830 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.200 -5.352 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.081 -5.951 -14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.947 -8.228 -13.908 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.902 -7.374 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.100 -7.538 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.208 -5.910 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.221 -6.738 -15.682 1.00 0.00 H new ATOM 1014 N PRO A 65 6.560 -7.465 3.425 1.00 0.00 N ATOM 1015 CA PRO A 65 5.097 -7.386 3.396 1.00 0.00 C ATOM 1016 C PRO A 65 4.527 -6.717 4.642 1.00 0.00 C ATOM 1017 O PRO A 65 5.031 -6.913 5.748 1.00 0.00 O ATOM 1018 CB PRO A 65 4.663 -8.852 3.330 1.00 0.00 C ATOM 1019 CG PRO A 65 5.790 -9.609 3.944 1.00 0.00 C ATOM 1020 CD PRO A 65 7.039 -8.848 3.594 1.00 0.00 C ATOM 0 HA PRO A 65 4.739 -6.783 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.733 -9.015 3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.488 -9.167 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.668 -9.683 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.832 -10.627 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.788 -8.920 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.499 -9.228 2.682 1.00 0.00 H new ATOM 1028 N ILE A 66 3.475 -5.928 4.456 1.00 0.00 N ATOM 1029 CA ILE A 66 2.836 -5.232 5.566 1.00 0.00 C ATOM 1030 C ILE A 66 1.437 -5.780 5.827 1.00 0.00 C ATOM 1031 O ILE A 66 0.597 -5.819 4.928 1.00 0.00 O ATOM 1032 CB ILE A 66 2.741 -3.718 5.301 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.112 -3.158 4.915 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.195 -2.999 6.526 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.037 -1.945 4.014 1.00 0.00 C ATOM 0 H ILE A 66 3.047 -5.754 3.547 1.00 0.00 H new ATOM 0 HA ILE A 66 3.459 -5.401 6.444 1.00 0.00 H new ATOM 0 HB ILE A 66 2.055 -3.552 4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.656 -2.894 5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.686 -3.938 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.134 -1.930 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.201 -3.382 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.858 -3.170 7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.045 -1.602 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.521 -2.209 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.491 -1.149 4.520 1.00 0.00 H new ATOM 1047 N SER A 67 1.194 -6.201 7.064 1.00 0.00 N ATOM 1048 CA SER A 67 -0.103 -6.749 7.444 1.00 0.00 C ATOM 1049 C SER A 67 -1.140 -5.639 7.591 1.00 0.00 C ATOM 1050 O SER A 67 -1.201 -4.963 8.618 1.00 0.00 O ATOM 1051 CB SER A 67 0.014 -7.530 8.754 1.00 0.00 C ATOM 1052 OG SER A 67 0.536 -6.716 9.789 1.00 0.00 O ATOM 0 H SER A 67 1.878 -6.173 7.820 1.00 0.00 H new ATOM 0 HA SER A 67 -0.430 -7.425 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.966 -7.908 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.659 -8.396 8.608 1.00 0.00 H new ATOM 0 HG SER A 67 0.123 -5.828 9.747 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.954 -5.458 6.556 1.00 0.00 N ATOM 1059 CA VAL A 68 -2.989 -4.431 6.569 1.00 0.00 C ATOM 1060 C VAL A 68 -4.127 -4.810 7.510 1.00 0.00 C ATOM 1061 O VAL A 68 -4.920 -3.961 7.914 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.562 -4.194 5.159 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.443 -3.902 4.170 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.383 -5.393 4.709 1.00 0.00 C ATOM 0 H VAL A 68 -1.917 -6.009 5.698 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.519 -3.513 6.922 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.219 -3.325 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.867 -3.737 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.902 -3.010 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.758 -4.749 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.780 -5.208 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.750 -6.280 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.208 -5.551 5.404 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.200 -6.091 7.856 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.241 -6.584 8.750 1.00 0.00 C ATOM 1076 C ASN A 69 -5.476 -5.608 9.900 1.00 0.00 C ATOM 1077 O ASN A 69 -4.624 -5.443 10.771 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.860 -7.958 9.303 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.063 -8.736 9.799 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.904 -9.170 9.010 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -6.151 -8.917 11.111 1.00 0.00 N ATOM 0 H ASN A 69 -3.550 -6.807 7.531 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.164 -6.674 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.355 -8.532 8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.149 -7.833 10.120 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.939 -9.433 11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.431 -8.540 11.727 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.639 -4.965 9.894 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.989 -4.009 10.937 1.00 0.00 C ATOM 1090 C ALA A 70 -6.198 -2.714 10.782 1.00 0.00 C ATOM 1091 O ALA A 70 -5.668 -2.179 11.756 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.747 -4.615 12.311 1.00 0.00 C ATOM 0 H ALA A 70 -7.355 -5.089 9.178 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.048 -3.772 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.013 -3.890 13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.360 -5.509 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.695 -4.881 12.411 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.121 -2.217 9.552 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.393 -0.985 9.269 1.00 0.00 C ATOM 1100 C CYS A 71 -6.326 0.221 9.315 1.00 0.00 C ATOM 1101 O CYS A 71 -7.536 0.077 9.497 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.717 -1.071 7.900 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.866 -1.295 6.522 1.00 0.00 S ATOM 0 H CYS A 71 -6.554 -2.648 8.735 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.629 -0.859 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.140 -0.161 7.734 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.009 -1.900 7.908 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.200 -1.354 5.407 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.757 1.409 9.150 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.537 2.641 9.173 1.00 0.00 C ATOM 1111 C LEU A 72 -6.223 3.508 7.958 1.00 0.00 C ATOM 1112 O LEU A 72 -5.185 4.169 7.906 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.255 3.423 10.458 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.505 2.674 11.767 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.685 3.281 12.895 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -7.987 2.690 12.115 1.00 0.00 C ATOM 0 H LEU A 72 -4.758 1.546 8.999 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.593 2.373 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.215 3.748 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.870 4.323 10.454 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.193 1.638 11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.876 2.735 13.819 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.625 3.218 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.965 4.326 13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.147 2.152 13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.323 3.721 12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.553 2.208 11.318 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.126 3.502 6.984 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.947 4.290 5.771 1.00 0.00 C ATOM 1130 C ILE A 73 -7.617 5.654 5.898 1.00 0.00 C ATOM 1131 O ILE A 73 -8.679 5.781 6.506 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.516 3.564 4.538 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.572 2.443 4.098 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.744 4.549 3.401 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.217 1.442 3.165 1.00 0.00 C ATOM 0 H ILE A 73 -7.990 2.960 7.011 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.874 4.426 5.639 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.475 3.121 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.705 2.882 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.205 1.920 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.146 4.020 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.451 5.315 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.798 5.018 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.490 0.676 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.067 0.976 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.559 1.952 2.265 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.989 6.671 5.318 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.525 8.027 5.363 1.00 0.00 C ATOM 1149 C ASP A 74 -6.882 8.902 4.291 1.00 0.00 C ATOM 1150 O ASP A 74 -5.660 9.039 4.240 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.299 8.642 6.745 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.166 8.004 7.812 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.399 7.951 7.621 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.612 7.558 8.839 1.00 0.00 O ATOM 0 H ASP A 74 -6.108 6.582 4.811 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.596 7.974 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.250 8.533 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.508 9.711 6.702 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.713 9.490 3.438 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.225 10.351 2.368 1.00 0.00 C ATOM 1161 C ILE A 75 -6.112 11.267 2.864 1.00 0.00 C ATOM 1162 O ILE A 75 -6.370 12.265 3.538 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.358 11.211 1.777 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.469 10.318 1.221 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.815 12.128 0.691 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.627 11.091 0.630 1.00 0.00 C ATOM 0 H ILE A 75 -8.727 9.386 3.467 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.833 9.696 1.590 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.777 11.829 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.050 9.665 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.841 9.676 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.627 12.729 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.055 12.784 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.373 11.528 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.377 10.394 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.072 11.724 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.268 11.713 -0.190 1.00 0.00 H new ATOM 1178 N SER A 76 -4.874 10.923 2.524 1.00 0.00 N ATOM 1179 CA SER A 76 -3.721 11.714 2.937 1.00 0.00 C ATOM 1180 C SER A 76 -4.049 13.204 2.920 1.00 0.00 C ATOM 1181 O SER A 76 -4.940 13.646 2.195 1.00 0.00 O ATOM 1182 CB SER A 76 -2.528 11.432 2.020 1.00 0.00 C ATOM 1183 OG SER A 76 -2.410 10.046 1.750 1.00 0.00 O ATOM 0 H SER A 76 -4.644 10.102 1.964 1.00 0.00 H new ATOM 0 HA SER A 76 -3.462 11.429 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.647 11.979 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.612 11.794 2.487 1.00 0.00 H new ATOM 0 HG SER A 76 -1.987 9.599 2.513 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.322 13.972 3.724 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.537 15.412 3.804 1.00 0.00 C ATOM 1191 C TYR A 77 -3.562 16.037 2.412 1.00 0.00 C ATOM 1192 O TYR A 77 -3.410 15.346 1.406 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.442 16.066 4.649 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.059 15.521 4.375 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.282 16.031 3.342 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.528 14.496 5.149 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.982 15.536 3.088 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.736 13.996 4.903 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.487 14.518 3.871 1.00 0.00 C ATOM 1200 OH TYR A 77 2.746 14.023 3.621 1.00 0.00 O ATOM 0 H TYR A 77 -2.579 13.622 4.329 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.504 15.584 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.444 17.140 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.676 15.925 5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.673 16.828 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.114 14.083 5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.572 15.944 2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.134 13.201 5.516 1.00 0.00 H new ATOM 0 HH TYR A 77 2.951 13.311 4.263 1.00 0.00 H new ATOM 1210 N SER A 78 -3.755 17.352 2.365 1.00 0.00 N ATOM 1211 CA SER A 78 -3.803 18.072 1.098 1.00 0.00 C ATOM 1212 C SER A 78 -2.418 18.579 0.708 1.00 0.00 C ATOM 1213 O SER A 78 -2.086 18.663 -0.474 1.00 0.00 O ATOM 1214 CB SER A 78 -4.781 19.245 1.191 1.00 0.00 C ATOM 1215 OG SER A 78 -4.825 19.970 -0.026 1.00 0.00 O ATOM 0 H SER A 78 -3.881 17.940 3.189 1.00 0.00 H new ATOM 0 HA SER A 78 -4.147 17.381 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.777 18.874 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.482 19.908 2.003 1.00 0.00 H new ATOM 0 HG SER A 78 -5.458 20.713 0.059 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.614 18.917 1.712 1.00 0.00 N ATOM 1222 CA GLU A 79 -0.265 19.417 1.475 1.00 0.00 C ATOM 1223 C GLU A 79 0.686 18.274 1.131 1.00 0.00 C ATOM 1224 O GLU A 79 1.732 18.111 1.760 1.00 0.00 O ATOM 1225 CB GLU A 79 0.247 20.170 2.704 1.00 0.00 C ATOM 1226 CG GLU A 79 -0.252 21.602 2.793 1.00 0.00 C ATOM 1227 CD GLU A 79 -0.199 22.152 4.205 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -1.197 21.998 4.940 1.00 0.00 O ATOM 1229 OE2 GLU A 79 0.841 22.735 4.575 1.00 0.00 O ATOM 0 H GLU A 79 -1.874 18.854 2.696 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.302 20.102 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.057 19.632 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.337 20.174 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.349 22.233 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.278 21.649 2.427 1.00 0.00 H new ATOM 1236 N THR A 80 0.315 17.484 0.128 1.00 0.00 N ATOM 1237 CA THR A 80 1.133 16.356 -0.299 1.00 0.00 C ATOM 1238 C THR A 80 1.619 16.540 -1.732 1.00 0.00 C ATOM 1239 O THR A 80 2.396 15.734 -2.244 1.00 0.00 O ATOM 1240 CB THR A 80 0.356 15.029 -0.199 1.00 0.00 C ATOM 1241 OG1 THR A 80 -0.616 15.109 0.849 1.00 0.00 O ATOM 1242 CG2 THR A 80 1.302 13.868 0.067 1.00 0.00 C ATOM 0 H THR A 80 -0.547 17.605 -0.404 1.00 0.00 H new ATOM 0 HA THR A 80 1.992 16.317 0.371 1.00 0.00 H new ATOM 0 HB THR A 80 -0.149 14.855 -1.149 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.182 14.940 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.731 12.942 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.023 13.792 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.831 14.037 1.005 1.00 0.00 H new ATOM 1250 N LYS A 81 1.158 17.607 -2.376 1.00 0.00 N ATOM 1251 CA LYS A 81 1.547 17.900 -3.750 1.00 0.00 C ATOM 1252 C LYS A 81 1.366 16.673 -4.639 1.00 0.00 C ATOM 1253 O LYS A 81 2.045 16.527 -5.656 1.00 0.00 O ATOM 1254 CB LYS A 81 3.002 18.370 -3.801 1.00 0.00 C ATOM 1255 CG LYS A 81 3.333 19.193 -5.033 1.00 0.00 C ATOM 1256 CD LYS A 81 4.817 19.510 -5.111 1.00 0.00 C ATOM 1257 CE LYS A 81 5.273 19.695 -6.550 1.00 0.00 C ATOM 1258 NZ LYS A 81 6.490 20.549 -6.641 1.00 0.00 N ATOM 0 H LYS A 81 0.514 18.284 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 81 0.902 18.696 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.215 18.962 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.657 17.500 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.029 18.649 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.762 20.122 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.027 20.416 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.387 18.704 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.479 18.721 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.468 20.146 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.769 20.651 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.287 21.487 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.266 20.106 -6.108 1.00 0.00 H new ATOM 1272 N ARG A 82 0.448 15.796 -4.250 1.00 0.00 N ATOM 1273 CA ARG A 82 0.178 14.582 -5.012 1.00 0.00 C ATOM 1274 C ARG A 82 -1.321 14.305 -5.080 1.00 0.00 C ATOM 1275 O ARG A 82 -2.037 14.454 -4.090 1.00 0.00 O ATOM 1276 CB ARG A 82 0.901 13.389 -4.384 1.00 0.00 C ATOM 1277 CG ARG A 82 2.413 13.538 -4.356 1.00 0.00 C ATOM 1278 CD ARG A 82 3.034 12.710 -3.242 1.00 0.00 C ATOM 1279 NE ARG A 82 4.479 12.570 -3.405 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.337 13.570 -3.239 1.00 0.00 C ATOM 1281 NH1 ARG A 82 4.899 14.776 -2.907 1.00 0.00 N ATOM 1282 NH2 ARG A 82 6.638 13.364 -3.405 1.00 0.00 N ATOM 0 H ARG A 82 -0.122 15.903 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 82 0.549 14.729 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.539 13.251 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.644 12.486 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.828 13.229 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.674 14.587 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.821 13.178 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.574 11.722 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 82 4.849 11.654 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.900 14.938 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.561 15.542 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.979 12.437 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.296 14.133 -3.277 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.789 13.901 -6.256 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.202 13.601 -6.455 1.00 0.00 C ATOM 1298 C LYS A 83 -3.459 12.101 -6.358 1.00 0.00 C ATOM 1299 O LYS A 83 -2.574 11.291 -6.630 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.668 14.122 -7.817 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.428 15.609 -8.014 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.367 16.192 -9.056 1.00 0.00 C ATOM 1303 CE LYS A 83 -3.848 15.959 -10.467 1.00 0.00 C ATOM 1304 NZ LYS A 83 -4.578 16.782 -11.470 1.00 0.00 N ATOM 0 H LYS A 83 -1.210 13.774 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.768 14.100 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.151 13.572 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.732 13.916 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.566 16.129 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.395 15.774 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.354 15.741 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.485 17.262 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.785 16.197 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.948 14.904 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.195 16.594 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.589 16.537 -11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.461 17.790 -11.243 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.678 11.738 -5.971 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.051 10.334 -5.840 1.00 0.00 C ATOM 1320 C ASN A 84 -4.171 9.631 -4.811 1.00 0.00 C ATOM 1321 O ASN A 84 -3.785 8.476 -4.994 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.940 9.627 -7.192 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.183 10.566 -8.357 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -4.332 10.718 -9.234 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -6.349 11.201 -8.372 1.00 0.00 N ATOM 0 H ASN A 84 -5.423 12.396 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.085 10.289 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.949 9.184 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.660 8.809 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.569 11.845 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.025 11.044 -7.624 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.857 10.336 -3.729 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.023 9.779 -2.670 1.00 0.00 C ATOM 1334 C VAL A 85 -3.850 9.460 -1.429 1.00 0.00 C ATOM 1335 O VAL A 85 -4.706 10.246 -1.022 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.888 10.746 -2.282 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.126 10.218 -1.076 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.952 10.967 -3.460 1.00 0.00 C ATOM 0 H VAL A 85 -4.167 11.293 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.589 8.859 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.328 11.706 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.328 10.914 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.807 10.116 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.696 9.245 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.156 11.652 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.518 10.014 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.511 11.393 -4.294 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.589 8.302 -0.832 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.310 7.879 0.362 1.00 0.00 C ATOM 1350 C PHE A 86 -3.340 7.458 1.463 1.00 0.00 C ATOM 1351 O PHE A 86 -2.330 6.806 1.198 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.255 6.721 0.030 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.616 5.645 -0.800 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.156 5.920 -2.078 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.476 4.360 -0.303 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.567 4.932 -2.845 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.888 3.368 -1.065 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.434 3.654 -2.338 1.00 0.00 C ATOM 0 H PHE A 86 -2.884 7.640 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.895 8.726 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.621 6.283 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.123 7.112 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.259 6.917 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.830 4.130 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.211 5.159 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.784 2.370 -0.666 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.976 2.880 -2.936 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.654 7.837 2.697 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.810 7.501 3.837 1.00 0.00 C ATOM 1370 C ARG A 87 -3.249 6.183 4.469 1.00 0.00 C ATOM 1371 O ARG A 87 -4.438 5.959 4.701 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.857 8.620 4.880 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.755 8.526 5.923 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.463 9.882 6.547 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.668 10.509 7.083 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.662 11.650 7.763 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.520 12.286 7.989 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.800 12.158 8.219 1.00 0.00 N ATOM 0 H ARG A 87 -4.487 8.377 2.933 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.786 7.389 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.784 9.582 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.824 8.597 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.048 7.821 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.849 8.133 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.730 9.763 7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.016 10.537 5.799 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.563 10.046 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.643 11.899 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.519 13.162 8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.680 11.672 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.794 13.034 8.741 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.282 5.315 4.746 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.568 4.019 5.351 1.00 0.00 C ATOM 1394 C LEU A 88 -1.658 3.764 6.548 1.00 0.00 C ATOM 1395 O LEU A 88 -0.453 4.009 6.490 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.396 2.903 4.318 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.308 1.482 4.875 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.879 0.483 3.881 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.867 1.132 5.218 1.00 0.00 C ATOM 0 H LEU A 88 -1.293 5.485 4.561 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.601 4.028 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.233 2.948 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.492 3.103 3.743 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.900 1.433 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.808 -0.523 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.924 0.722 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.315 0.533 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.823 0.117 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.253 1.199 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.492 1.829 5.967 1.00 0.00 H new ATOM 1411 N THR A 89 -2.243 3.269 7.635 1.00 0.00 N ATOM 1412 CA THR A 89 -1.486 2.980 8.846 1.00 0.00 C ATOM 1413 C THR A 89 -1.730 1.552 9.319 1.00 0.00 C ATOM 1414 O THR A 89 -2.864 1.165 9.602 1.00 0.00 O ATOM 1415 CB THR A 89 -1.851 3.954 9.982 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.712 5.307 9.532 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.963 3.726 11.197 1.00 0.00 C ATOM 0 H THR A 89 -3.239 3.060 7.701 1.00 0.00 H new ATOM 0 HA THR A 89 -0.432 3.102 8.597 1.00 0.00 H new ATOM 0 HB THR A 89 -2.887 3.771 10.268 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.947 5.920 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.239 4.425 11.986 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.092 2.705 11.556 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.079 3.884 10.921 1.00 0.00 H new ATOM 1425 N THR A 90 -0.658 0.770 9.403 1.00 0.00 N ATOM 1426 CA THR A 90 -0.755 -0.616 9.842 1.00 0.00 C ATOM 1427 C THR A 90 -0.256 -0.777 11.273 1.00 0.00 C ATOM 1428 O THR A 90 0.435 0.095 11.801 1.00 0.00 O ATOM 1429 CB THR A 90 0.048 -1.554 8.922 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.451 -1.378 9.147 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.273 -1.284 7.459 1.00 0.00 C ATOM 0 H THR A 90 0.288 1.074 9.172 1.00 0.00 H new ATOM 0 HA THR A 90 -1.809 -0.888 9.796 1.00 0.00 H new ATOM 0 HB THR A 90 -0.232 -2.581 9.155 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.695 -0.445 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.306 -1.959 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.336 -1.447 7.284 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.019 -0.252 7.215 1.00 0.00 H new ATOM 1439 N SER A 91 -0.609 -1.897 11.896 1.00 0.00 N ATOM 1440 CA SER A 91 -0.198 -2.170 13.268 1.00 0.00 C ATOM 1441 C SER A 91 1.320 -2.100 13.405 1.00 0.00 C ATOM 1442 O SER A 91 1.842 -1.695 14.444 1.00 0.00 O ATOM 1443 CB SER A 91 -0.699 -3.547 13.708 1.00 0.00 C ATOM 1444 OG SER A 91 -2.006 -3.465 14.251 1.00 0.00 O ATOM 0 H SER A 91 -1.178 -2.630 11.472 1.00 0.00 H new ATOM 0 HA SER A 91 -0.638 -1.408 13.912 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.698 -4.227 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.019 -3.965 14.450 1.00 0.00 H new ATOM 0 HG SER A 91 -2.304 -4.358 14.523 1.00 0.00 H new ATOM 1450 N ASP A 92 2.021 -2.499 12.350 1.00 0.00 N ATOM 1451 CA ASP A 92 3.480 -2.482 12.351 1.00 0.00 C ATOM 1452 C ASP A 92 4.006 -1.061 12.177 1.00 0.00 C ATOM 1453 O ASP A 92 4.699 -0.534 13.048 1.00 0.00 O ATOM 1454 CB ASP A 92 4.022 -3.380 11.238 1.00 0.00 C ATOM 1455 CG ASP A 92 3.369 -3.100 9.898 1.00 0.00 C ATOM 1456 OD1 ASP A 92 3.868 -2.219 9.167 1.00 0.00 O ATOM 1457 OD2 ASP A 92 2.360 -3.763 9.581 1.00 0.00 O ATOM 0 H ASP A 92 1.604 -2.838 11.483 1.00 0.00 H new ATOM 0 HA ASP A 92 3.823 -2.862 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.099 -3.236 11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.861 -4.424 11.506 1.00 0.00 H new ATOM 1462 N CYS A 93 3.675 -0.447 11.046 1.00 0.00 N ATOM 1463 CA CYS A 93 4.116 0.913 10.756 1.00 0.00 C ATOM 1464 C CYS A 93 3.146 1.609 9.807 1.00 0.00 C ATOM 1465 O CYS A 93 2.176 1.008 9.346 1.00 0.00 O ATOM 1466 CB CYS A 93 5.520 0.897 10.150 1.00 0.00 C ATOM 1467 SG CYS A 93 6.790 0.220 11.244 1.00 0.00 S ATOM 0 H CYS A 93 3.103 -0.869 10.315 1.00 0.00 H new ATOM 0 HA CYS A 93 4.139 1.469 11.693 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.500 0.313 9.230 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.797 1.915 9.876 1.00 0.00 H new ATOM 0 HG CYS A 93 6.254 -0.105 12.383 1.00 0.00 H new ATOM 1473 N GLU A 94 3.415 2.879 9.521 1.00 0.00 N ATOM 1474 CA GLU A 94 2.564 3.657 8.629 1.00 0.00 C ATOM 1475 C GLU A 94 3.286 3.967 7.321 1.00 0.00 C ATOM 1476 O GLU A 94 4.514 3.902 7.247 1.00 0.00 O ATOM 1477 CB GLU A 94 2.132 4.959 9.306 1.00 0.00 C ATOM 1478 CG GLU A 94 1.117 5.755 8.503 1.00 0.00 C ATOM 1479 CD GLU A 94 0.589 6.958 9.260 1.00 0.00 C ATOM 1480 OE1 GLU A 94 0.526 6.894 10.506 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.239 7.964 8.607 1.00 0.00 O ATOM 0 H GLU A 94 4.215 3.390 9.894 1.00 0.00 H new ATOM 0 HA GLU A 94 1.679 3.062 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.708 4.727 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.012 5.578 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.576 6.089 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.284 5.106 8.232 1.00 0.00 H new ATOM 1488 N CYS A 95 2.516 4.302 6.292 1.00 0.00 N ATOM 1489 CA CYS A 95 3.082 4.621 4.986 1.00 0.00 C ATOM 1490 C CYS A 95 2.065 5.356 4.118 1.00 0.00 C ATOM 1491 O CYS A 95 0.913 5.540 4.513 1.00 0.00 O ATOM 1492 CB CYS A 95 3.544 3.345 4.281 1.00 0.00 C ATOM 1493 SG CYS A 95 2.251 2.094 4.097 1.00 0.00 S ATOM 0 H CYS A 95 1.499 4.360 6.336 1.00 0.00 H new ATOM 0 HA CYS A 95 3.941 5.274 5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.925 3.606 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.375 2.914 4.840 1.00 0.00 H new ATOM 0 HG CYS A 95 1.812 2.100 2.873 1.00 0.00 H new ATOM 1499 N LEU A 96 2.499 5.775 2.934 1.00 0.00 N ATOM 1500 CA LEU A 96 1.627 6.492 2.010 1.00 0.00 C ATOM 1501 C LEU A 96 1.479 5.728 0.698 1.00 0.00 C ATOM 1502 O LEU A 96 2.259 4.821 0.404 1.00 0.00 O ATOM 1503 CB LEU A 96 2.180 7.892 1.738 1.00 0.00 C ATOM 1504 CG LEU A 96 1.880 8.950 2.801 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.734 10.189 2.577 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.402 9.311 2.791 1.00 0.00 C ATOM 0 H LEU A 96 3.449 5.631 2.592 1.00 0.00 H new ATOM 0 HA LEU A 96 0.643 6.580 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.261 7.818 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.781 8.240 0.785 1.00 0.00 H new ATOM 0 HG LEU A 96 2.126 8.535 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.507 10.931 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.789 9.919 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.519 10.606 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.206 10.065 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.131 9.706 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.191 8.421 3.000 1.00 0.00 H new ATOM 1518 N PHE A 97 0.475 6.102 -0.088 1.00 0.00 N ATOM 1519 CA PHE A 97 0.226 5.453 -1.370 1.00 0.00 C ATOM 1520 C PHE A 97 -0.417 6.425 -2.355 1.00 0.00 C ATOM 1521 O PHE A 97 -1.271 7.229 -1.982 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.675 4.231 -1.180 1.00 0.00 C ATOM 1523 CG PHE A 97 0.024 3.064 -0.545 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.911 2.289 -1.275 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.206 2.740 0.783 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.557 1.215 -0.693 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.437 1.667 1.370 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.319 0.902 0.631 1.00 0.00 C ATOM 0 H PHE A 97 -0.179 6.851 0.140 1.00 0.00 H new ATOM 0 HA PHE A 97 1.184 5.130 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.529 4.512 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.068 3.925 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.100 2.527 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.896 3.333 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.248 0.621 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.250 1.426 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.821 0.062 1.087 1.00 0.00 H new ATOM 1538 N GLN A 98 0.000 6.343 -3.615 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.534 7.216 -4.654 1.00 0.00 C ATOM 1540 C GLN A 98 -1.001 6.406 -5.858 1.00 0.00 C ATOM 1541 O GLN A 98 -0.337 5.458 -6.276 1.00 0.00 O ATOM 1542 CB GLN A 98 0.522 8.234 -5.087 1.00 0.00 C ATOM 1543 CG GLN A 98 0.096 9.087 -6.271 1.00 0.00 C ATOM 1544 CD GLN A 98 0.854 10.397 -6.349 1.00 0.00 C ATOM 1545 OE1 GLN A 98 1.829 10.608 -5.627 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.409 11.287 -7.229 1.00 0.00 N ATOM 0 H GLN A 98 0.705 5.682 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.392 7.747 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.753 8.886 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.441 7.706 -5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.252 8.526 -7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.972 9.293 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.403 11.070 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.879 12.187 -7.326 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.148 6.786 -6.412 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.703 6.096 -7.570 1.00 0.00 C ATOM 1557 C ALA A 99 -2.524 6.921 -8.839 1.00 0.00 C ATOM 1558 O ALA A 99 -2.008 8.038 -8.796 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.175 5.785 -7.343 1.00 0.00 C ATOM 0 H ALA A 99 -2.711 7.568 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.160 5.159 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.577 5.270 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.281 5.148 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.723 6.714 -7.186 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.952 6.364 -9.968 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.837 7.050 -11.249 1.00 0.00 C ATOM 1567 C GLU A 100 -4.022 7.986 -11.474 1.00 0.00 C ATOM 1568 O GLU A 100 -3.874 9.065 -12.047 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.751 6.035 -12.391 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.181 4.691 -11.968 1.00 0.00 C ATOM 1571 CD GLU A 100 -1.949 3.760 -13.143 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -2.700 3.859 -14.136 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -1.016 2.933 -13.068 1.00 0.00 O ATOM 0 H GLU A 100 -3.381 5.440 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.924 7.645 -11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.747 5.883 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.132 6.448 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.239 4.849 -11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.863 4.217 -11.263 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.196 7.563 -11.019 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.407 8.362 -11.170 1.00 0.00 C ATOM 1582 C ASP A 101 -7.279 8.267 -9.922 1.00 0.00 C ATOM 1583 O ASP A 101 -7.231 7.276 -9.193 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.197 7.903 -12.396 1.00 0.00 C ATOM 1585 CG ASP A 101 -7.329 6.394 -12.469 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -6.353 5.732 -12.880 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -8.408 5.876 -12.113 1.00 0.00 O ATOM 0 H ASP A 101 -5.335 6.672 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.112 9.402 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.190 8.351 -12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.705 8.266 -13.298 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.075 9.304 -9.682 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.956 9.338 -8.521 1.00 0.00 C ATOM 1594 C ARG A 102 -9.755 8.043 -8.407 1.00 0.00 C ATOM 1595 O ARG A 102 -9.814 7.430 -7.341 1.00 0.00 O ATOM 1596 CB ARG A 102 -9.909 10.532 -8.612 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.898 10.611 -7.461 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.574 11.971 -7.401 1.00 0.00 C ATOM 1599 NE ARG A 102 -10.836 12.913 -6.563 1.00 0.00 N ATOM 1600 CZ ARG A 102 -10.985 14.232 -6.633 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -11.841 14.761 -7.497 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -10.278 15.023 -5.838 1.00 0.00 N ATOM 0 H ARG A 102 -8.128 10.131 -10.276 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.337 9.443 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.324 11.451 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.460 10.475 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.653 9.833 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.380 10.419 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.664 12.376 -8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.586 11.856 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.170 12.538 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.387 14.155 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.953 15.773 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.619 14.620 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.393 16.035 -5.892 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.369 7.634 -9.512 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.165 6.412 -9.536 1.00 0.00 C ATOM 1618 C ASP A 103 -10.345 5.220 -9.052 1.00 0.00 C ATOM 1619 O ASP A 103 -10.829 4.396 -8.275 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.687 6.147 -10.949 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.997 6.858 -11.225 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.759 7.090 -10.263 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.261 7.181 -12.402 1.00 0.00 O ATOM 0 H ASP A 103 -10.331 8.130 -10.402 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.012 6.545 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.941 6.471 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.823 5.074 -11.088 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.103 5.135 -9.516 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.216 4.044 -9.130 1.00 0.00 C ATOM 1630 C ASP A 104 -7.943 4.070 -7.629 1.00 0.00 C ATOM 1631 O ASP A 104 -7.964 3.033 -6.967 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.898 4.132 -9.902 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.083 2.858 -9.802 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -5.996 2.294 -8.691 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.532 2.424 -10.836 1.00 0.00 O ATOM 0 H ASP A 104 -8.688 5.808 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.710 3.104 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.108 4.344 -10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.311 4.967 -9.519 1.00 0.00 H new ATOM 1640 N MET A 105 -7.687 5.262 -7.100 1.00 0.00 N ATOM 1641 CA MET A 105 -7.410 5.423 -5.677 1.00 0.00 C ATOM 1642 C MET A 105 -8.576 4.912 -4.836 1.00 0.00 C ATOM 1643 O MET A 105 -8.389 4.105 -3.924 1.00 0.00 O ATOM 1644 CB MET A 105 -7.137 6.892 -5.352 1.00 0.00 C ATOM 1645 CG MET A 105 -6.459 7.101 -4.008 1.00 0.00 C ATOM 1646 SD MET A 105 -6.621 8.792 -3.403 1.00 0.00 S ATOM 1647 CE MET A 105 -8.382 9.054 -3.600 1.00 0.00 C ATOM 0 H MET A 105 -7.666 6.130 -7.635 1.00 0.00 H new ATOM 0 HA MET A 105 -6.525 4.835 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.511 7.319 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.080 7.439 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.889 6.415 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.402 6.851 -4.096 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.691 9.914 -3.006 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.607 9.239 -4.650 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.921 8.168 -3.264 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.777 5.387 -5.147 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.973 4.978 -4.418 1.00 0.00 C ATOM 1659 C LEU A 106 -11.083 3.458 -4.361 1.00 0.00 C ATOM 1660 O LEU A 106 -11.433 2.889 -3.327 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.221 5.566 -5.078 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.587 6.993 -4.669 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.044 7.032 -3.218 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.407 7.929 -4.883 1.00 0.00 C ATOM 0 H LEU A 106 -9.949 6.055 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.895 5.356 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.081 5.544 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.067 4.917 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.411 7.330 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.300 8.056 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.919 6.394 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.241 6.675 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.686 8.940 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.563 7.594 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.125 7.924 -5.936 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.780 2.805 -5.479 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.840 1.351 -5.554 1.00 0.00 C ATOM 1678 C ALA A 107 -9.926 0.709 -4.517 1.00 0.00 C ATOM 1679 O ALA A 107 -10.308 -0.253 -3.850 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.468 0.879 -6.952 1.00 0.00 C ATOM 0 H ALA A 107 -10.491 3.261 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.863 1.043 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.517 -0.209 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.165 1.302 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.456 1.206 -7.189 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.718 1.246 -4.386 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.749 0.723 -3.429 1.00 0.00 C ATOM 1688 C TRP A 108 -8.238 0.918 -1.998 1.00 0.00 C ATOM 1689 O TRP A 108 -8.311 -0.036 -1.223 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.396 1.410 -3.616 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.531 0.748 -4.647 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.164 1.259 -5.859 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.928 -0.547 -4.555 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.369 0.359 -6.527 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.208 -0.756 -5.748 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.923 -1.549 -3.581 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.494 -1.927 -5.990 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.215 -2.710 -3.823 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.507 -2.891 -5.019 1.00 0.00 C ATOM 0 H TRP A 108 -8.386 2.043 -4.930 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.635 -0.345 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.560 2.449 -3.903 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -5.868 1.422 -2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.456 2.228 -6.237 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -3.964 0.499 -7.453 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.463 -1.418 -2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.949 -2.069 -6.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.207 -3.492 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.961 -3.809 -5.177 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.572 2.157 -1.655 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.055 2.475 -0.317 1.00 0.00 C ATOM 1712 C ILE A 109 -10.144 1.501 0.120 1.00 0.00 C ATOM 1713 O ILE A 109 -10.063 0.902 1.193 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.608 3.911 -0.244 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.485 4.925 -0.471 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.283 4.151 1.098 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -8.970 6.355 -0.557 1.00 0.00 C ATOM 0 H ILE A 109 -8.517 2.957 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.201 2.388 0.355 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.352 4.039 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.763 4.843 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.959 4.672 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.669 5.170 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.106 3.447 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.559 4.008 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.120 7.018 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.670 6.453 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.470 6.626 0.373 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.163 1.345 -0.719 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.267 0.441 -0.422 1.00 0.00 C ATOM 1731 C LYS A 110 -11.786 -1.006 -0.365 1.00 0.00 C ATOM 1732 O LYS A 110 -11.881 -1.662 0.673 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.367 0.582 -1.478 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.464 -0.460 -1.356 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.545 -0.257 -2.405 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.440 0.923 -2.062 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.505 0.548 -1.091 1.00 0.00 N ATOM 0 H LYS A 110 -11.247 1.834 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.671 0.710 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.810 1.575 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.919 0.511 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.034 -1.456 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.907 -0.409 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.083 -0.093 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.148 -1.161 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -15.835 1.728 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.898 1.308 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.094 1.380 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.098 -0.203 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.068 0.205 -0.212 1.00 0.00 H new ATOM 1751 N THR A 111 -11.268 -1.497 -1.486 1.00 0.00 N ATOM 1752 CA THR A 111 -10.772 -2.865 -1.563 1.00 0.00 C ATOM 1753 C THR A 111 -10.014 -3.247 -0.297 1.00 0.00 C ATOM 1754 O THR A 111 -10.366 -4.213 0.381 1.00 0.00 O ATOM 1755 CB THR A 111 -9.847 -3.060 -2.779 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.551 -2.745 -3.986 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.332 -4.490 -2.845 1.00 0.00 C ATOM 0 H THR A 111 -11.181 -0.967 -2.353 1.00 0.00 H new ATOM 0 HA THR A 111 -11.643 -3.511 -1.671 1.00 0.00 H new ATOM 0 HB THR A 111 -8.995 -2.389 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.431 -1.795 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.681 -4.603 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.771 -4.717 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.174 -5.176 -2.932 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.973 -2.484 0.018 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.167 -2.742 1.204 1.00 0.00 C ATOM 1767 C ILE A 112 -9.011 -2.657 2.471 1.00 0.00 C ATOM 1768 O ILE A 112 -9.061 -3.600 3.260 1.00 0.00 O ATOM 1769 CB ILE A 112 -6.994 -1.751 1.315 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.177 -1.746 0.021 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.112 -2.104 2.503 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.480 -0.432 -0.249 1.00 0.00 C ATOM 0 H ILE A 112 -8.668 -1.681 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.770 -3.752 1.101 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.397 -0.751 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.432 -2.540 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.836 -1.977 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.287 -1.394 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.701 -2.060 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.715 -3.111 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.920 -0.502 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.221 0.363 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.795 -0.209 0.569 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.675 -1.520 2.658 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.518 -1.313 3.830 1.00 0.00 C ATOM 1786 C GLN A 113 -11.471 -2.487 4.029 1.00 0.00 C ATOM 1787 O GLN A 113 -11.819 -2.830 5.158 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.313 -0.014 3.688 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.542 1.222 4.124 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.446 2.313 4.663 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -11.798 2.318 5.843 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.827 3.247 3.799 1.00 0.00 N ATOM 0 H GLN A 113 -9.645 -0.730 2.014 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.871 -1.242 4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.616 0.105 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.226 -0.090 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.819 0.943 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.976 1.610 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.512 3.204 2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.435 4.007 4.105 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.890 -3.097 2.925 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.804 -4.232 2.980 1.00 0.00 C ATOM 1803 C GLU A 114 -12.124 -5.448 3.601 1.00 0.00 C ATOM 1804 O GLU A 114 -12.671 -6.086 4.501 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.309 -4.577 1.577 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.280 -3.555 1.011 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.688 -3.730 1.545 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.423 -4.585 1.007 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.055 -3.013 2.499 1.00 0.00 O ATOM 0 H GLU A 114 -11.611 -2.825 1.982 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.652 -3.953 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.456 -4.666 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.796 -5.552 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.927 -2.552 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.295 -3.637 -0.076 1.00 0.00 H new ATOM 1816 N SER A 115 -10.928 -5.764 3.114 1.00 0.00 N ATOM 1817 CA SER A 115 -10.175 -6.906 3.618 1.00 0.00 C ATOM 1818 C SER A 115 -9.891 -6.755 5.110 1.00 0.00 C ATOM 1819 O SER A 115 -10.080 -7.691 5.887 1.00 0.00 O ATOM 1820 CB SER A 115 -8.860 -7.056 2.850 1.00 0.00 C ATOM 1821 OG SER A 115 -9.098 -7.344 1.483 1.00 0.00 O ATOM 0 H SER A 115 -10.460 -5.245 2.371 1.00 0.00 H new ATOM 0 HA SER A 115 -10.779 -7.801 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.278 -6.138 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.264 -7.853 3.295 1.00 0.00 H new ATOM 0 HG SER A 115 -8.242 -7.433 1.014 1.00 0.00 H new ATOM 1827 N SER A 116 -9.436 -5.569 5.502 1.00 0.00 N ATOM 1828 CA SER A 116 -9.122 -5.295 6.899 1.00 0.00 C ATOM 1829 C SER A 116 -10.379 -5.364 7.762 1.00 0.00 C ATOM 1830 O SER A 116 -10.404 -6.043 8.787 1.00 0.00 O ATOM 1831 CB SER A 116 -8.471 -3.917 7.036 1.00 0.00 C ATOM 1832 OG SER A 116 -9.319 -2.900 6.532 1.00 0.00 O ATOM 0 H SER A 116 -9.277 -4.783 4.872 1.00 0.00 H new ATOM 0 HA SER A 116 -8.422 -6.056 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.246 -3.720 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.523 -3.904 6.498 1.00 0.00 H new ATOM 0 HG SER A 116 -8.881 -2.029 6.632 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.420 -4.656 7.337 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.681 -4.635 8.071 1.00 0.00 C ATOM 1840 C ASN A 117 -13.415 -5.966 7.928 1.00 0.00 C ATOM 1841 O ASN A 117 -13.829 -6.344 6.831 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.568 -3.494 7.569 1.00 0.00 C ATOM 1843 CG ASN A 117 -13.136 -2.145 8.111 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -13.100 -1.934 9.323 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -12.807 -1.225 7.213 1.00 0.00 N ATOM 0 H ASN A 117 -11.416 -4.089 6.489 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.457 -4.475 9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.543 -3.470 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.601 -3.685 7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.509 -0.298 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -12.852 -1.445 6.218 1.00 0.00 H new