USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 74 THR OG1 : rot 130:sc= 1.15 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.766 K(o=1.9,f=0.45) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.111 X(o=0.92,f=1) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.807 X(o=0.92,f=1) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0537) USER MOD Single : A 41 THR OG1 : rot 45:sc= -0.0601 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.1) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.248) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.05) USER MOD Single : A 60 THR OG1 : rot 57:sc= 0.0439 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 2.91 (180deg=2.78) USER MOD Single : A 68 ASN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 100:sc= -0.365 USER MOD Single : A 79 GLN : amide:sc= -0.0447 K(o=-0.045,f=-1.5) USER MOD Single : A 80 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc=-0.00223 (180deg=-0.156) USER MOD Single : A 87 ASN : amide:sc= 0.641 K(o=0.64,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 3.056 -5.473 -8.297 1.00 0.00 N ATOM 2 CA LEU A 38 3.727 -6.772 -8.105 1.00 0.00 C ATOM 3 C LEU A 38 5.237 -6.606 -8.251 1.00 0.00 C ATOM 4 O LEU A 38 5.697 -5.674 -8.913 1.00 0.00 O ATOM 5 CB LEU A 38 3.215 -7.809 -9.119 1.00 0.00 C ATOM 6 CG LEU A 38 1.688 -7.972 -9.018 1.00 0.00 C ATOM 7 CD1 LEU A 38 1.223 -8.987 -10.065 1.00 0.00 C ATOM 8 CD2 LEU A 38 1.298 -8.471 -7.623 1.00 0.00 C ATOM 0 HA LEU A 38 3.498 -7.130 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.485 -7.500 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.699 -8.769 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 38 1.214 -7.007 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.142 -9.108 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.489 -8.631 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.707 -9.946 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.215 -8.582 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.772 -9.435 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.629 -7.752 -6.874 1.00 0.00 H new ATOM 22 N GLY A 39 6.004 -7.513 -7.630 1.00 0.00 N ATOM 23 CA GLY A 39 7.459 -7.480 -7.684 1.00 0.00 C ATOM 24 C GLY A 39 7.991 -8.857 -8.062 1.00 0.00 C ATOM 25 O GLY A 39 8.220 -9.130 -9.239 1.00 0.00 O ATOM 0 H GLY A 39 5.628 -8.285 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.789 -6.740 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.861 -7.177 -6.717 1.00 0.00 H new ATOM 29 N LYS A 40 8.182 -9.722 -7.054 1.00 0.00 N ATOM 30 CA LYS A 40 8.679 -11.079 -7.262 1.00 0.00 C ATOM 31 C LYS A 40 9.994 -11.039 -8.055 1.00 0.00 C ATOM 32 O LYS A 40 10.131 -11.710 -9.077 1.00 0.00 O ATOM 33 CB LYS A 40 7.594 -11.910 -7.979 1.00 0.00 C ATOM 34 CG LYS A 40 7.607 -13.363 -7.473 1.00 0.00 C ATOM 35 CD LYS A 40 8.883 -14.080 -7.937 1.00 0.00 C ATOM 36 CE LYS A 40 8.793 -15.575 -7.609 1.00 0.00 C ATOM 37 NZ LYS A 40 8.792 -15.805 -6.152 1.00 0.00 N ATOM 0 H LYS A 40 7.995 -9.496 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 40 8.893 -11.555 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.614 -11.467 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.765 -11.892 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.550 -13.376 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.729 -13.892 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.018 -13.942 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.754 -13.644 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.885 -15.991 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.634 -16.100 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.833 -16.827 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.619 -15.340 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.923 -15.411 -5.739 1.00 0.00 H new ATOM 51 N THR A 41 10.961 -10.244 -7.562 1.00 0.00 N ATOM 52 CA THR A 41 12.275 -10.101 -8.191 1.00 0.00 C ATOM 53 C THR A 41 12.135 -10.011 -9.714 1.00 0.00 C ATOM 54 O THR A 41 12.623 -10.878 -10.438 1.00 0.00 O ATOM 55 CB THR A 41 13.177 -11.281 -7.784 1.00 0.00 C ATOM 56 OG1 THR A 41 12.527 -12.506 -8.056 1.00 0.00 O ATOM 57 CG2 THR A 41 13.491 -11.199 -6.288 1.00 0.00 C ATOM 0 H THR A 41 10.848 -9.685 -6.716 1.00 0.00 H new ATOM 0 HA THR A 41 12.738 -9.176 -7.846 1.00 0.00 H new ATOM 0 HB THR A 41 14.103 -11.229 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.126 -12.472 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.129 -12.036 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 41 14.005 -10.262 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.563 -11.241 -5.719 1.00 0.00 H new ATOM 65 N ARG A 42 11.465 -8.958 -10.194 1.00 0.00 N ATOM 66 CA ARG A 42 11.261 -8.762 -11.619 1.00 0.00 C ATOM 67 C ARG A 42 12.588 -8.402 -12.287 1.00 0.00 C ATOM 68 O ARG A 42 13.277 -7.478 -11.849 1.00 0.00 O ATOM 69 CB ARG A 42 10.218 -7.661 -11.834 1.00 0.00 C ATOM 70 CG ARG A 42 10.022 -7.416 -13.336 1.00 0.00 C ATOM 71 CD ARG A 42 8.731 -6.626 -13.580 1.00 0.00 C ATOM 72 NE ARG A 42 8.729 -5.355 -12.832 1.00 0.00 N ATOM 73 CZ ARG A 42 8.012 -5.142 -11.707 1.00 0.00 C ATOM 74 NH1 ARG A 42 7.331 -6.141 -11.126 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.980 -3.919 -11.163 1.00 0.00 N ATOM 0 H ARG A 42 11.056 -8.230 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 42 10.893 -9.682 -12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.272 -7.950 -11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.540 -6.742 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.874 -6.867 -13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.980 -8.368 -13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.623 -6.423 -14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.872 -7.227 -13.281 1.00 0.00 H new ATOM 0 HE ARG A 42 9.304 -4.590 -13.186 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.350 -7.076 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.794 -5.966 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.495 -3.154 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.440 -3.753 -10.314 1.00 0.00 H new ATOM 89 N TRP A 43 12.934 -9.139 -13.348 1.00 0.00 N ATOM 90 CA TRP A 43 14.164 -8.924 -14.099 1.00 0.00 C ATOM 91 C TRP A 43 13.887 -9.177 -15.577 1.00 0.00 C ATOM 92 O TRP A 43 13.159 -10.110 -15.915 1.00 0.00 O ATOM 93 CB TRP A 43 15.245 -9.879 -13.585 1.00 0.00 C ATOM 94 CG TRP A 43 16.081 -9.348 -12.462 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.735 -9.323 -11.164 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.419 -8.771 -12.514 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.738 -8.782 -10.396 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.814 -8.418 -11.184 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.349 -8.513 -13.546 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.056 -7.842 -10.899 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.601 -7.928 -13.264 1.00 0.00 C ATOM 102 CH2 TRP A 43 19.953 -7.594 -11.945 1.00 0.00 C ATOM 0 H TRP A 43 12.362 -9.904 -13.707 1.00 0.00 H new ATOM 0 HA TRP A 43 14.514 -7.900 -13.970 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.766 -10.801 -13.256 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.902 -10.139 -14.415 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.793 -9.681 -10.775 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.695 -8.665 -9.384 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.098 -8.767 -14.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.321 -7.591 -9.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.295 -7.735 -14.069 1.00 0.00 H new ATOM 0 HH2 TRP A 43 20.914 -7.147 -11.739 1.00 0.00 H new ATOM 113 N THR A 44 14.463 -8.346 -16.457 1.00 0.00 N ATOM 114 CA THR A 44 14.264 -8.482 -17.894 1.00 0.00 C ATOM 115 C THR A 44 15.481 -9.154 -18.530 1.00 0.00 C ATOM 116 O THR A 44 16.589 -9.081 -17.999 1.00 0.00 O ATOM 117 CB THR A 44 14.021 -7.100 -18.514 1.00 0.00 C ATOM 118 OG1 THR A 44 15.140 -6.273 -18.291 1.00 0.00 O ATOM 119 CG2 THR A 44 12.780 -6.459 -17.886 1.00 0.00 C ATOM 0 H THR A 44 15.071 -7.572 -16.190 1.00 0.00 H new ATOM 0 HA THR A 44 13.391 -9.107 -18.081 1.00 0.00 H new ATOM 0 HB THR A 44 13.864 -7.215 -19.586 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.981 -5.392 -18.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.613 -5.478 -18.330 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.912 -7.092 -18.068 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.931 -6.350 -16.812 1.00 0.00 H new ATOM 127 N ARG A 45 15.258 -9.806 -19.679 1.00 0.00 N ATOM 128 CA ARG A 45 16.309 -10.496 -20.415 1.00 0.00 C ATOM 129 C ARG A 45 17.496 -9.560 -20.650 1.00 0.00 C ATOM 130 O ARG A 45 18.643 -9.940 -20.426 1.00 0.00 O ATOM 131 CB ARG A 45 15.729 -10.974 -21.756 1.00 0.00 C ATOM 132 CG ARG A 45 16.799 -11.717 -22.571 1.00 0.00 C ATOM 133 CD ARG A 45 16.569 -11.480 -24.068 1.00 0.00 C ATOM 134 NE ARG A 45 17.752 -11.872 -24.846 1.00 0.00 N ATOM 135 CZ ARG A 45 18.888 -11.147 -24.883 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.933 -9.913 -24.366 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.990 -11.661 -25.438 1.00 0.00 N ATOM 0 H ARG A 45 14.340 -9.866 -20.119 1.00 0.00 H new ATOM 0 HA ARG A 45 16.665 -11.351 -19.840 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.878 -11.631 -21.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.359 -10.120 -22.324 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.792 -11.369 -22.287 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.760 -12.784 -22.352 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.703 -12.051 -24.402 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.345 -10.428 -24.244 1.00 0.00 H new ATOM 0 HE ARG A 45 17.712 -12.737 -25.386 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.101 -9.509 -23.937 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.800 -9.377 -24.401 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.971 -12.601 -25.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.850 -11.113 -25.466 1.00 0.00 H new ATOM 151 N GLU A 46 17.214 -8.343 -21.115 1.00 0.00 N ATOM 152 CA GLU A 46 18.251 -7.373 -21.424 1.00 0.00 C ATOM 153 C GLU A 46 19.116 -7.114 -20.189 1.00 0.00 C ATOM 154 O GLU A 46 20.344 -7.099 -20.286 1.00 0.00 O ATOM 155 CB GLU A 46 17.594 -6.076 -21.923 1.00 0.00 C ATOM 156 CG GLU A 46 18.044 -5.783 -23.360 1.00 0.00 C ATOM 157 CD GLU A 46 17.342 -6.703 -24.361 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.162 -7.897 -24.021 1.00 0.00 O ATOM 159 OE2 GLU A 46 16.998 -6.196 -25.449 1.00 0.00 O ATOM 0 H GLU A 46 16.266 -8.009 -21.285 1.00 0.00 H new ATOM 0 HA GLU A 46 18.900 -7.763 -22.208 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.509 -6.169 -21.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.866 -5.246 -21.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.829 -4.743 -23.606 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.123 -5.912 -23.439 1.00 0.00 H new ATOM 166 N GLU A 47 18.478 -6.913 -19.028 1.00 0.00 N ATOM 167 CA GLU A 47 19.201 -6.657 -17.790 1.00 0.00 C ATOM 168 C GLU A 47 20.051 -7.874 -17.429 1.00 0.00 C ATOM 169 O GLU A 47 21.204 -7.724 -17.033 1.00 0.00 O ATOM 170 CB GLU A 47 18.211 -6.342 -16.663 1.00 0.00 C ATOM 171 CG GLU A 47 18.472 -4.938 -16.117 1.00 0.00 C ATOM 172 CD GLU A 47 17.557 -4.636 -14.939 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.409 -5.133 -14.963 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.020 -3.917 -14.032 1.00 0.00 O ATOM 0 H GLU A 47 17.463 -6.924 -18.928 1.00 0.00 H new ATOM 0 HA GLU A 47 19.858 -5.798 -17.926 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.189 -6.413 -17.035 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.311 -7.077 -15.864 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.513 -4.852 -15.806 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.313 -4.202 -16.905 1.00 0.00 H new ATOM 181 N ASP A 48 19.480 -9.080 -17.568 1.00 0.00 N ATOM 182 CA ASP A 48 20.195 -10.312 -17.261 1.00 0.00 C ATOM 183 C ASP A 48 21.439 -10.425 -18.142 1.00 0.00 C ATOM 184 O ASP A 48 22.495 -10.836 -17.667 1.00 0.00 O ATOM 185 CB ASP A 48 19.272 -11.520 -17.470 1.00 0.00 C ATOM 186 CG ASP A 48 18.181 -11.579 -16.408 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.511 -11.321 -15.231 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.031 -11.890 -16.787 1.00 0.00 O ATOM 0 H ASP A 48 18.523 -9.220 -17.892 1.00 0.00 H new ATOM 0 HA ASP A 48 20.510 -10.294 -16.218 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.816 -11.464 -18.459 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.860 -12.438 -17.441 1.00 0.00 H new ATOM 193 N GLU A 49 21.322 -10.057 -19.424 1.00 0.00 N ATOM 194 CA GLU A 49 22.455 -10.105 -20.335 1.00 0.00 C ATOM 195 C GLU A 49 23.516 -9.107 -19.868 1.00 0.00 C ATOM 196 O GLU A 49 24.698 -9.440 -19.805 1.00 0.00 O ATOM 197 CB GLU A 49 21.995 -9.793 -21.763 1.00 0.00 C ATOM 198 CG GLU A 49 23.025 -10.341 -22.758 1.00 0.00 C ATOM 199 CD GLU A 49 22.791 -9.792 -24.160 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.606 -9.679 -24.538 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.805 -9.497 -24.828 1.00 0.00 O ATOM 0 H GLU A 49 20.455 -9.725 -19.846 1.00 0.00 H new ATOM 0 HA GLU A 49 22.889 -11.105 -20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.019 -10.241 -21.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.882 -8.717 -21.894 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.029 -10.078 -22.426 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.970 -11.429 -22.778 1.00 0.00 H new ATOM 208 N LYS A 50 23.088 -7.883 -19.534 1.00 0.00 N ATOM 209 CA LYS A 50 23.992 -6.848 -19.047 1.00 0.00 C ATOM 210 C LYS A 50 24.732 -7.364 -17.808 1.00 0.00 C ATOM 211 O LYS A 50 25.944 -7.185 -17.681 1.00 0.00 O ATOM 212 CB LYS A 50 23.176 -5.584 -18.718 1.00 0.00 C ATOM 213 CG LYS A 50 23.895 -4.327 -19.226 1.00 0.00 C ATOM 214 CD LYS A 50 25.076 -3.984 -18.313 1.00 0.00 C ATOM 215 CE LYS A 50 25.657 -2.626 -18.718 1.00 0.00 C ATOM 216 NZ LYS A 50 26.699 -2.189 -17.774 1.00 0.00 N ATOM 0 H LYS A 50 22.113 -7.590 -19.595 1.00 0.00 H new ATOM 0 HA LYS A 50 24.731 -6.598 -19.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.189 -5.654 -19.174 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.025 -5.513 -17.641 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.249 -4.489 -20.244 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.198 -3.490 -19.260 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.750 -3.956 -17.273 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.842 -4.756 -18.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.077 -2.692 -19.722 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.860 -1.883 -18.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.168 -1.337 -18.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.265 -1.973 -16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.401 -2.947 -17.657 1.00 0.00 H new ATOM 230 N LEU A 51 23.993 -8.013 -16.903 1.00 0.00 N ATOM 231 CA LEU A 51 24.558 -8.576 -15.691 1.00 0.00 C ATOM 232 C LEU A 51 25.592 -9.644 -16.056 1.00 0.00 C ATOM 233 O LEU A 51 26.683 -9.665 -15.495 1.00 0.00 O ATOM 234 CB LEU A 51 23.418 -9.164 -14.843 1.00 0.00 C ATOM 235 CG LEU A 51 23.951 -9.759 -13.529 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.528 -8.652 -12.644 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.801 -10.446 -12.789 1.00 0.00 C ATOM 0 H LEU A 51 22.988 -8.158 -16.998 1.00 0.00 H new ATOM 0 HA LEU A 51 25.065 -7.806 -15.110 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.687 -8.386 -14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.900 -9.937 -15.411 1.00 0.00 H new ATOM 0 HG LEU A 51 24.737 -10.480 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.902 -9.086 -11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.345 -8.156 -13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.749 -7.925 -12.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.171 -10.871 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.021 -9.716 -12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.391 -11.241 -13.412 1.00 0.00 H new ATOM 249 N LYS A 52 25.244 -10.527 -17.003 1.00 0.00 N ATOM 250 CA LYS A 52 26.138 -11.590 -17.441 1.00 0.00 C ATOM 251 C LYS A 52 27.461 -11.000 -17.928 1.00 0.00 C ATOM 252 O LYS A 52 28.523 -11.503 -17.576 1.00 0.00 O ATOM 253 CB LYS A 52 25.458 -12.404 -18.552 1.00 0.00 C ATOM 254 CG LYS A 52 26.228 -13.710 -18.804 1.00 0.00 C ATOM 255 CD LYS A 52 27.155 -13.562 -20.017 1.00 0.00 C ATOM 256 CE LYS A 52 27.771 -14.924 -20.354 1.00 0.00 C ATOM 257 NZ LYS A 52 28.714 -14.822 -21.482 1.00 0.00 N ATOM 0 H LYS A 52 24.342 -10.519 -17.479 1.00 0.00 H new ATOM 0 HA LYS A 52 26.354 -12.253 -16.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.429 -12.629 -18.270 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.416 -11.816 -19.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.813 -13.970 -17.922 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.526 -14.526 -18.973 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.596 -13.182 -20.872 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.941 -12.838 -19.802 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.289 -15.318 -19.479 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.980 -15.632 -20.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.853 -15.762 -21.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.329 -14.174 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.626 -14.458 -21.140 1.00 0.00 H new ATOM 271 N LYS A 53 27.396 -9.935 -18.740 1.00 0.00 N ATOM 272 CA LYS A 53 28.596 -9.291 -19.265 1.00 0.00 C ATOM 273 C LYS A 53 29.471 -8.793 -18.114 1.00 0.00 C ATOM 274 O LYS A 53 30.676 -9.031 -18.103 1.00 0.00 O ATOM 275 CB LYS A 53 28.206 -8.117 -20.172 1.00 0.00 C ATOM 276 CG LYS A 53 27.545 -8.630 -21.453 1.00 0.00 C ATOM 277 CD LYS A 53 27.192 -7.438 -22.352 1.00 0.00 C ATOM 278 CE LYS A 53 26.013 -7.795 -23.262 1.00 0.00 C ATOM 279 NZ LYS A 53 26.323 -8.955 -24.115 1.00 0.00 N ATOM 0 H LYS A 53 26.522 -9.506 -19.044 1.00 0.00 H new ATOM 0 HA LYS A 53 29.160 -10.018 -19.848 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.523 -7.452 -19.644 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.091 -7.532 -20.421 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.218 -9.309 -21.977 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.646 -9.197 -21.211 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.939 -6.573 -21.739 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.056 -7.160 -22.956 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.135 -8.013 -22.654 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.762 -6.938 -23.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.531 -9.129 -24.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.186 -8.762 -24.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.472 -9.794 -23.519 1.00 0.00 H new ATOM 293 N LEU A 54 28.862 -8.094 -17.150 1.00 0.00 N ATOM 294 CA LEU A 54 29.593 -7.539 -16.018 1.00 0.00 C ATOM 295 C LEU A 54 30.232 -8.655 -15.189 1.00 0.00 C ATOM 296 O LEU A 54 31.371 -8.516 -14.748 1.00 0.00 O ATOM 297 CB LEU A 54 28.644 -6.703 -15.158 1.00 0.00 C ATOM 298 CG LEU A 54 28.229 -5.428 -15.906 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.003 -4.824 -15.224 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.374 -4.409 -15.884 1.00 0.00 C ATOM 0 H LEU A 54 27.860 -7.902 -17.136 1.00 0.00 H new ATOM 0 HA LEU A 54 30.393 -6.899 -16.390 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.760 -7.289 -14.906 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.130 -6.440 -14.219 1.00 0.00 H new ATOM 0 HG LEU A 54 27.995 -5.679 -16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.703 -3.918 -15.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.184 -5.543 -15.244 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.246 -4.579 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.070 -3.508 -16.417 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.616 -4.156 -14.852 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.252 -4.838 -16.367 1.00 0.00 H new ATOM 312 N VAL A 55 29.507 -9.759 -14.977 1.00 0.00 N ATOM 313 CA VAL A 55 30.030 -10.889 -14.216 1.00 0.00 C ATOM 314 C VAL A 55 31.205 -11.509 -14.972 1.00 0.00 C ATOM 315 O VAL A 55 32.242 -11.795 -14.383 1.00 0.00 O ATOM 316 CB VAL A 55 28.910 -11.917 -13.991 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.502 -13.232 -13.472 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.919 -11.375 -12.961 1.00 0.00 C ATOM 0 H VAL A 55 28.557 -9.890 -15.324 1.00 0.00 H new ATOM 0 HA VAL A 55 30.387 -10.553 -13.242 1.00 0.00 H new ATOM 0 HB VAL A 55 28.400 -12.098 -14.937 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.701 -13.955 -13.315 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.209 -13.626 -14.202 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.018 -13.052 -12.529 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.125 -12.104 -12.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.437 -11.191 -12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.488 -10.443 -13.326 1.00 0.00 H new ATOM 328 N GLU A 56 31.033 -11.712 -16.280 1.00 0.00 N ATOM 329 CA GLU A 56 32.067 -12.287 -17.125 1.00 0.00 C ATOM 330 C GLU A 56 33.318 -11.405 -17.096 1.00 0.00 C ATOM 331 O GLU A 56 34.439 -11.910 -17.078 1.00 0.00 O ATOM 332 CB GLU A 56 31.509 -12.410 -18.548 1.00 0.00 C ATOM 333 CG GLU A 56 32.476 -13.189 -19.438 1.00 0.00 C ATOM 334 CD GLU A 56 31.846 -13.451 -20.799 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.918 -12.537 -21.645 1.00 0.00 O ATOM 336 OE2 GLU A 56 31.292 -14.560 -20.965 1.00 0.00 O ATOM 0 H GLU A 56 30.173 -11.481 -16.777 1.00 0.00 H new ATOM 0 HA GLU A 56 32.353 -13.274 -16.762 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.543 -12.914 -18.523 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.341 -11.417 -18.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.402 -12.627 -19.560 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.738 -14.134 -18.963 1.00 0.00 H new ATOM 343 N GLN A 57 33.115 -10.083 -17.092 1.00 0.00 N ATOM 344 CA GLN A 57 34.205 -9.122 -17.077 1.00 0.00 C ATOM 345 C GLN A 57 34.931 -9.160 -15.731 1.00 0.00 C ATOM 346 O GLN A 57 36.147 -9.333 -15.687 1.00 0.00 O ATOM 347 CB GLN A 57 33.625 -7.724 -17.341 1.00 0.00 C ATOM 348 CG GLN A 57 34.722 -6.658 -17.242 1.00 0.00 C ATOM 349 CD GLN A 57 34.133 -5.264 -17.427 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.601 -4.684 -16.483 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.227 -4.728 -18.644 1.00 0.00 N ATOM 0 H GLN A 57 32.188 -9.657 -17.099 1.00 0.00 H new ATOM 0 HA GLN A 57 34.930 -9.371 -17.852 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.170 -7.694 -18.331 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.836 -7.510 -16.620 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.215 -6.725 -16.272 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.484 -6.841 -18.000 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.678 -5.248 -19.397 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.848 -3.798 -18.822 1.00 0.00 H new ATOM 360 N ASN A 58 34.181 -8.977 -14.640 1.00 0.00 N ATOM 361 CA ASN A 58 34.751 -8.921 -13.302 1.00 0.00 C ATOM 362 C ASN A 58 34.797 -10.318 -12.681 1.00 0.00 C ATOM 363 O ASN A 58 35.843 -10.964 -12.695 1.00 0.00 O ATOM 364 CB ASN A 58 33.920 -7.955 -12.443 1.00 0.00 C ATOM 365 CG ASN A 58 33.957 -6.544 -13.025 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.748 -5.712 -12.592 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.096 -6.278 -14.010 1.00 0.00 N ATOM 0 H ASN A 58 33.168 -8.865 -14.665 1.00 0.00 H new ATOM 0 HA ASN A 58 35.776 -8.554 -13.354 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.889 -8.304 -12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.306 -7.943 -11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.078 -5.351 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.456 -7.002 -14.338 1.00 0.00 H new ATOM 374 N GLY A 59 33.664 -10.776 -12.132 1.00 0.00 N ATOM 375 CA GLY A 59 33.578 -12.079 -11.488 1.00 0.00 C ATOM 376 C GLY A 59 32.784 -11.965 -10.191 1.00 0.00 C ATOM 377 O GLY A 59 32.077 -10.979 -9.975 1.00 0.00 O ATOM 0 H GLY A 59 32.789 -10.251 -12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.098 -12.794 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.578 -12.458 -11.280 1.00 0.00 H new ATOM 381 N THR A 60 32.903 -12.976 -9.324 1.00 0.00 N ATOM 382 CA THR A 60 32.206 -12.993 -8.046 1.00 0.00 C ATOM 383 C THR A 60 32.992 -12.165 -7.025 1.00 0.00 C ATOM 384 O THR A 60 33.510 -12.703 -6.047 1.00 0.00 O ATOM 385 CB THR A 60 32.042 -14.448 -7.578 1.00 0.00 C ATOM 386 OG1 THR A 60 33.268 -15.138 -7.720 1.00 0.00 O ATOM 387 CG2 THR A 60 30.971 -15.144 -8.421 1.00 0.00 C ATOM 0 H THR A 60 33.483 -13.798 -9.492 1.00 0.00 H new ATOM 0 HA THR A 60 31.215 -12.552 -8.150 1.00 0.00 H new ATOM 0 HB THR A 60 31.742 -14.452 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.966 -14.672 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.858 -16.175 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.022 -14.620 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.269 -15.134 -9.469 1.00 0.00 H new ATOM 395 N ASP A 61 33.078 -10.850 -7.265 1.00 0.00 N ATOM 396 CA ASP A 61 33.800 -9.941 -6.394 1.00 0.00 C ATOM 397 C ASP A 61 32.844 -9.404 -5.319 1.00 0.00 C ATOM 398 O ASP A 61 32.001 -10.146 -4.814 1.00 0.00 O ATOM 399 CB ASP A 61 34.389 -8.816 -7.262 1.00 0.00 C ATOM 400 CG ASP A 61 35.515 -8.086 -6.541 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.613 -8.674 -6.459 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.251 -6.952 -6.087 1.00 0.00 O ATOM 0 H ASP A 61 32.646 -10.396 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 61 34.618 -10.445 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 61 34.765 -9.234 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 61 33.603 -8.107 -7.523 1.00 0.00 H new ATOM 407 N ASP A 62 32.969 -8.116 -4.975 1.00 0.00 N ATOM 408 CA ASP A 62 32.111 -7.488 -3.974 1.00 0.00 C ATOM 409 C ASP A 62 30.746 -7.156 -4.571 1.00 0.00 C ATOM 410 O ASP A 62 29.855 -6.721 -3.847 1.00 0.00 O ATOM 411 CB ASP A 62 32.779 -6.208 -3.449 1.00 0.00 C ATOM 412 CG ASP A 62 32.994 -6.286 -1.942 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.021 -5.973 -1.215 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.118 -6.654 -1.544 1.00 0.00 O ATOM 0 H ASP A 62 33.663 -7.488 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 62 31.967 -8.185 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.736 -6.061 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.158 -5.345 -3.688 1.00 0.00 H new ATOM 419 N TRP A 63 30.594 -7.348 -5.894 1.00 0.00 N ATOM 420 CA TRP A 63 29.350 -7.066 -6.610 1.00 0.00 C ATOM 421 C TRP A 63 29.023 -5.565 -6.606 1.00 0.00 C ATOM 422 O TRP A 63 28.037 -5.152 -7.216 1.00 0.00 O ATOM 423 CB TRP A 63 28.198 -7.893 -6.021 1.00 0.00 C ATOM 424 CG TRP A 63 28.276 -9.348 -6.329 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.772 -10.302 -5.523 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.847 -10.039 -7.531 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.685 -11.538 -6.116 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.120 -11.435 -7.376 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.252 -9.631 -8.744 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.817 -12.368 -8.370 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.944 -10.566 -9.747 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.228 -11.932 -9.563 1.00 0.00 C ATOM 0 H TRP A 63 31.338 -7.705 -6.493 1.00 0.00 H new ATOM 0 HA TRP A 63 29.484 -7.358 -7.652 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.186 -7.761 -4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.254 -7.502 -6.400 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.184 -10.121 -4.541 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.994 -12.411 -5.688 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.030 -8.586 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.035 -13.415 -8.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.486 -10.233 -10.667 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.992 -12.643 -10.341 1.00 0.00 H new ATOM 443 N LYS A 64 29.847 -4.744 -5.939 1.00 0.00 N ATOM 444 CA LYS A 64 29.637 -3.309 -5.911 1.00 0.00 C ATOM 445 C LYS A 64 29.991 -2.742 -7.278 1.00 0.00 C ATOM 446 O LYS A 64 29.270 -1.905 -7.808 1.00 0.00 O ATOM 447 CB LYS A 64 30.505 -2.675 -4.812 1.00 0.00 C ATOM 448 CG LYS A 64 29.609 -1.982 -3.777 1.00 0.00 C ATOM 449 CD LYS A 64 28.862 -3.034 -2.943 1.00 0.00 C ATOM 450 CE LYS A 64 29.794 -3.627 -1.877 1.00 0.00 C ATOM 451 NZ LYS A 64 29.526 -5.064 -1.682 1.00 0.00 N ATOM 0 H LYS A 64 30.663 -5.060 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 64 28.595 -3.083 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 64 31.111 -3.441 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.194 -1.954 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.213 -1.351 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.895 -1.330 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.994 -2.580 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.490 -3.826 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.832 -3.484 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.658 -3.097 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.223 -5.460 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.569 -5.189 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 29.596 -5.557 -2.595 1.00 0.00 H new ATOM 465 N VAL A 65 31.106 -3.216 -7.848 1.00 0.00 N ATOM 466 CA VAL A 65 31.546 -2.785 -9.168 1.00 0.00 C ATOM 467 C VAL A 65 30.451 -3.095 -10.189 1.00 0.00 C ATOM 468 O VAL A 65 30.099 -2.250 -11.009 1.00 0.00 O ATOM 469 CB VAL A 65 32.851 -3.512 -9.535 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.362 -3.002 -10.886 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.914 -3.255 -8.462 1.00 0.00 C ATOM 0 H VAL A 65 31.719 -3.902 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 65 31.734 -1.711 -9.168 1.00 0.00 H new ATOM 0 HB VAL A 65 32.654 -4.582 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.287 -3.519 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.613 -3.194 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.551 -1.930 -10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.834 -3.774 -8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.108 -2.185 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.557 -3.624 -7.500 1.00 0.00 H new ATOM 481 N ILE A 66 29.915 -4.318 -10.127 1.00 0.00 N ATOM 482 CA ILE A 66 28.867 -4.757 -11.031 1.00 0.00 C ATOM 483 C ILE A 66 27.624 -3.880 -10.847 1.00 0.00 C ATOM 484 O ILE A 66 27.073 -3.376 -11.824 1.00 0.00 O ATOM 485 CB ILE A 66 28.566 -6.243 -10.755 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.785 -7.085 -11.181 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.324 -6.680 -11.542 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.662 -8.521 -10.676 1.00 0.00 C ATOM 0 H ILE A 66 30.200 -5.024 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 66 29.187 -4.656 -12.068 1.00 0.00 H new ATOM 0 HB ILE A 66 28.372 -6.389 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.870 -7.084 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.697 -6.635 -10.789 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.118 -7.731 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.469 -6.078 -11.236 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.502 -6.542 -12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.535 -9.093 -10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.601 -8.520 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.762 -8.976 -11.089 1.00 0.00 H new ATOM 500 N ALA A 67 27.191 -3.698 -9.592 1.00 0.00 N ATOM 501 CA ALA A 67 26.017 -2.890 -9.281 1.00 0.00 C ATOM 502 C ALA A 67 26.198 -1.451 -9.776 1.00 0.00 C ATOM 503 O ALA A 67 25.247 -0.840 -10.258 1.00 0.00 O ATOM 504 CB ALA A 67 25.779 -2.908 -7.771 1.00 0.00 C ATOM 0 H ALA A 67 27.644 -4.105 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 67 25.151 -3.312 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.902 -2.305 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.614 -3.934 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.650 -2.498 -7.260 1.00 0.00 H new ATOM 510 N ASN A 68 27.418 -0.910 -9.653 1.00 0.00 N ATOM 511 CA ASN A 68 27.704 0.457 -10.073 1.00 0.00 C ATOM 512 C ASN A 68 27.375 0.639 -11.556 1.00 0.00 C ATOM 513 O ASN A 68 26.859 1.682 -11.949 1.00 0.00 O ATOM 514 CB ASN A 68 29.179 0.790 -9.805 1.00 0.00 C ATOM 515 CG ASN A 68 29.339 1.563 -8.499 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.610 2.760 -8.514 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.170 0.877 -7.370 1.00 0.00 N ATOM 0 H ASN A 68 28.221 -1.405 -9.264 1.00 0.00 H new ATOM 0 HA ASN A 68 27.080 1.140 -9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.761 -0.131 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.578 1.379 -10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.265 1.346 -6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.945 -0.117 -7.406 1.00 0.00 H new ATOM 524 N TYR A 69 27.674 -0.377 -12.381 1.00 0.00 N ATOM 525 CA TYR A 69 27.418 -0.309 -13.816 1.00 0.00 C ATOM 526 C TYR A 69 26.030 -0.875 -14.148 1.00 0.00 C ATOM 527 O TYR A 69 25.829 -1.420 -15.238 1.00 0.00 O ATOM 528 CB TYR A 69 28.513 -1.085 -14.559 1.00 0.00 C ATOM 529 CG TYR A 69 29.905 -0.514 -14.357 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.167 0.833 -14.672 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.939 -1.332 -13.864 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.457 1.360 -14.490 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.229 -0.802 -13.684 1.00 0.00 C ATOM 534 CZ TYR A 69 32.487 0.543 -13.996 1.00 0.00 C ATOM 535 OH TYR A 69 33.740 1.054 -13.821 1.00 0.00 O ATOM 0 H TYR A 69 28.094 -1.254 -12.072 1.00 0.00 H new ATOM 0 HA TYR A 69 27.435 0.733 -14.136 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.503 -2.122 -14.224 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.283 -1.092 -15.624 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.376 1.462 -15.054 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.742 -2.366 -13.624 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.656 2.394 -14.730 1.00 0.00 H new ATOM 0 HE2 TYR A 69 33.022 -1.430 -13.305 1.00 0.00 H new ATOM 0 HH TYR A 69 34.332 0.356 -13.471 1.00 0.00 H new ATOM 545 N LEU A 70 25.075 -0.741 -13.215 1.00 0.00 N ATOM 546 CA LEU A 70 23.709 -1.217 -13.410 1.00 0.00 C ATOM 547 C LEU A 70 22.734 -0.189 -12.824 1.00 0.00 C ATOM 548 O LEU A 70 23.152 0.665 -12.042 1.00 0.00 O ATOM 549 CB LEU A 70 23.540 -2.576 -12.703 1.00 0.00 C ATOM 550 CG LEU A 70 24.119 -3.715 -13.555 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.213 -4.979 -12.703 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.216 -3.993 -14.763 1.00 0.00 C ATOM 0 H LEU A 70 25.233 -0.300 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 70 23.502 -1.342 -14.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.040 -2.551 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.483 -2.761 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 70 25.107 -3.423 -13.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.623 -5.792 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.863 -4.794 -11.848 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.219 -5.255 -12.350 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.641 -4.803 -15.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.223 -4.279 -14.417 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.142 -3.095 -15.376 1.00 0.00 H new ATOM 564 N PRO A 71 21.428 -0.265 -13.193 1.00 0.00 N ATOM 565 CA PRO A 71 20.403 0.617 -12.652 1.00 0.00 C ATOM 566 C PRO A 71 20.229 0.378 -11.137 1.00 0.00 C ATOM 567 O PRO A 71 21.180 0.009 -10.455 1.00 0.00 O ATOM 568 CB PRO A 71 19.122 0.290 -13.446 1.00 0.00 C ATOM 569 CG PRO A 71 19.510 -0.739 -14.510 1.00 0.00 C ATOM 570 CD PRO A 71 20.917 -1.216 -14.163 1.00 0.00 C ATOM 0 HA PRO A 71 20.663 1.671 -12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.350 -0.108 -12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 71 18.714 1.189 -13.908 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.809 -1.573 -14.516 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.486 -0.295 -15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.897 -2.224 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.549 -1.248 -15.050 1.00 0.00 H new ATOM 578 N ASN A 72 19.012 0.588 -10.610 1.00 0.00 N ATOM 579 CA ASN A 72 18.733 0.390 -9.189 1.00 0.00 C ATOM 580 C ASN A 72 18.720 -1.107 -8.853 1.00 0.00 C ATOM 581 O ASN A 72 17.668 -1.671 -8.555 1.00 0.00 O ATOM 582 CB ASN A 72 17.387 1.035 -8.842 1.00 0.00 C ATOM 583 CG ASN A 72 17.433 2.545 -9.057 1.00 0.00 C ATOM 584 OD1 ASN A 72 18.003 3.271 -8.248 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.830 3.017 -10.149 1.00 0.00 N ATOM 0 H ASN A 72 18.206 0.896 -11.154 1.00 0.00 H new ATOM 0 HA ASN A 72 19.516 0.862 -8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.601 0.600 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.133 0.819 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.831 4.019 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.368 2.376 -10.794 1.00 0.00 H new ATOM 592 N ARG A 73 19.901 -1.737 -8.902 1.00 0.00 N ATOM 593 CA ARG A 73 20.071 -3.151 -8.599 1.00 0.00 C ATOM 594 C ARG A 73 21.177 -3.288 -7.558 1.00 0.00 C ATOM 595 O ARG A 73 22.358 -3.204 -7.893 1.00 0.00 O ATOM 596 CB ARG A 73 20.439 -3.915 -9.878 1.00 0.00 C ATOM 597 CG ARG A 73 19.330 -3.789 -10.930 1.00 0.00 C ATOM 598 CD ARG A 73 18.053 -4.481 -10.443 1.00 0.00 C ATOM 599 NE ARG A 73 17.176 -4.794 -11.576 1.00 0.00 N ATOM 600 CZ ARG A 73 16.031 -5.482 -11.457 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.589 -5.860 -10.252 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.329 -5.793 -12.548 1.00 0.00 N ATOM 0 H ARG A 73 20.770 -1.268 -9.157 1.00 0.00 H new ATOM 0 HA ARG A 73 19.144 -3.570 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.374 -3.527 -10.282 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.605 -4.966 -9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.128 -2.737 -11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.658 -4.235 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.309 -5.396 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.529 -3.836 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 73 17.451 -4.471 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.124 -5.625 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.717 -6.383 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.664 -5.508 -13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.458 -6.316 -12.462 1.00 0.00 H new ATOM 616 N THR A 74 20.791 -3.488 -6.294 1.00 0.00 N ATOM 617 CA THR A 74 21.741 -3.616 -5.198 1.00 0.00 C ATOM 618 C THR A 74 22.722 -4.756 -5.478 1.00 0.00 C ATOM 619 O THR A 74 22.411 -5.678 -6.228 1.00 0.00 O ATOM 620 CB THR A 74 20.973 -3.875 -3.892 1.00 0.00 C ATOM 621 OG1 THR A 74 19.634 -3.439 -4.029 1.00 0.00 O ATOM 622 CG2 THR A 74 21.634 -3.118 -2.740 1.00 0.00 C ATOM 0 H THR A 74 19.815 -3.565 -6.008 1.00 0.00 H new ATOM 0 HA THR A 74 22.312 -2.693 -5.102 1.00 0.00 H new ATOM 0 HB THR A 74 20.989 -4.944 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.027 -4.152 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.084 -3.306 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.663 -3.458 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.626 -2.049 -2.955 1.00 0.00 H new ATOM 630 N ASP A 75 23.906 -4.692 -4.864 1.00 0.00 N ATOM 631 CA ASP A 75 24.929 -5.715 -5.033 1.00 0.00 C ATOM 632 C ASP A 75 24.383 -7.082 -4.607 1.00 0.00 C ATOM 633 O ASP A 75 24.633 -8.082 -5.277 1.00 0.00 O ATOM 634 CB ASP A 75 26.184 -5.322 -4.230 1.00 0.00 C ATOM 635 CG ASP A 75 25.925 -5.240 -2.723 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.788 -4.875 -2.352 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.880 -5.538 -1.968 1.00 0.00 O ATOM 0 H ASP A 75 24.177 -3.932 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 75 25.209 -5.790 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.973 -6.050 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.549 -4.358 -4.584 1.00 0.00 H new ATOM 642 N VAL A 76 23.629 -7.120 -3.503 1.00 0.00 N ATOM 643 CA VAL A 76 23.026 -8.355 -3.019 1.00 0.00 C ATOM 644 C VAL A 76 22.018 -8.879 -4.048 1.00 0.00 C ATOM 645 O VAL A 76 21.958 -10.081 -4.300 1.00 0.00 O ATOM 646 CB VAL A 76 22.342 -8.097 -1.666 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.625 -9.367 -1.194 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.390 -7.695 -0.624 1.00 0.00 C ATOM 0 H VAL A 76 23.424 -6.302 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 76 23.799 -9.111 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 76 21.617 -7.292 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.143 -9.177 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.872 -9.654 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 76 22.349 -10.174 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.901 -7.513 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 76 24.119 -8.498 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.898 -6.787 -0.950 1.00 0.00 H new ATOM 658 N GLN A 77 21.226 -7.974 -4.640 1.00 0.00 N ATOM 659 CA GLN A 77 20.220 -8.350 -5.626 1.00 0.00 C ATOM 660 C GLN A 77 20.899 -8.902 -6.876 1.00 0.00 C ATOM 661 O GLN A 77 20.462 -9.911 -7.422 1.00 0.00 O ATOM 662 CB GLN A 77 19.352 -7.131 -5.973 1.00 0.00 C ATOM 663 CG GLN A 77 18.098 -7.105 -5.092 1.00 0.00 C ATOM 664 CD GLN A 77 18.456 -6.953 -3.615 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.607 -5.839 -3.123 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.589 -8.075 -2.907 1.00 0.00 N ATOM 0 H GLN A 77 21.268 -6.973 -4.447 1.00 0.00 H new ATOM 0 HA GLN A 77 19.578 -9.127 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.925 -6.215 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.066 -7.167 -7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.454 -6.281 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.531 -8.024 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.454 -8.981 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.825 -8.028 -1.916 1.00 0.00 H new ATOM 675 N CYS A 78 21.969 -8.240 -7.324 1.00 0.00 N ATOM 676 CA CYS A 78 22.713 -8.673 -8.496 1.00 0.00 C ATOM 677 C CYS A 78 23.301 -10.059 -8.242 1.00 0.00 C ATOM 678 O CYS A 78 23.189 -10.950 -9.085 1.00 0.00 O ATOM 679 CB CYS A 78 23.825 -7.664 -8.791 1.00 0.00 C ATOM 680 SG CYS A 78 23.088 -6.170 -9.494 1.00 0.00 S ATOM 0 H CYS A 78 22.337 -7.396 -6.884 1.00 0.00 H new ATOM 0 HA CYS A 78 22.049 -8.728 -9.359 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.367 -7.423 -7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.547 -8.091 -9.487 1.00 0.00 H new ATOM 0 HG CYS A 78 22.971 -5.266 -8.567 1.00 0.00 H new ATOM 686 N GLN A 79 23.929 -10.234 -7.072 1.00 0.00 N ATOM 687 CA GLN A 79 24.538 -11.499 -6.698 1.00 0.00 C ATOM 688 C GLN A 79 23.489 -12.607 -6.713 1.00 0.00 C ATOM 689 O GLN A 79 23.683 -13.631 -7.364 1.00 0.00 O ATOM 690 CB GLN A 79 25.175 -11.360 -5.309 1.00 0.00 C ATOM 691 CG GLN A 79 26.029 -12.594 -4.994 1.00 0.00 C ATOM 692 CD GLN A 79 25.301 -13.554 -4.067 1.00 0.00 C ATOM 693 OE1 GLN A 79 24.589 -14.443 -4.521 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.490 -13.374 -2.764 1.00 0.00 N ATOM 0 H GLN A 79 24.024 -9.502 -6.368 1.00 0.00 H new ATOM 0 HA GLN A 79 25.315 -11.763 -7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.792 -10.462 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.397 -11.244 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 79 26.286 -13.106 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.966 -12.281 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.092 -12.619 -2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.033 -13.991 -2.092 1.00 0.00 H new ATOM 703 N HIS A 80 22.378 -12.397 -5.995 1.00 0.00 N ATOM 704 CA HIS A 80 21.305 -13.376 -5.927 1.00 0.00 C ATOM 705 C HIS A 80 20.800 -13.699 -7.328 1.00 0.00 C ATOM 706 O HIS A 80 20.737 -14.861 -7.708 1.00 0.00 O ATOM 707 CB HIS A 80 20.163 -12.828 -5.066 1.00 0.00 C ATOM 708 CG HIS A 80 20.462 -12.869 -3.590 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.611 -12.314 -2.643 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.501 -13.397 -2.864 1.00 0.00 C ATOM 711 CE1 HIS A 80 20.173 -12.534 -1.439 1.00 0.00 C ATOM 712 NE2 HIS A 80 21.330 -13.193 -1.503 1.00 0.00 N ATOM 0 H HIS A 80 22.206 -11.550 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 80 21.684 -14.292 -5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.956 -11.799 -5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.259 -13.404 -5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.347 -13.908 -3.299 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.729 -12.208 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.941 -13.478 -0.737 1.00 0.00 H new ATOM 720 N ARG A 81 20.435 -12.668 -8.093 1.00 0.00 N ATOM 721 CA ARG A 81 19.910 -12.856 -9.435 1.00 0.00 C ATOM 722 C ARG A 81 20.833 -13.751 -10.252 1.00 0.00 C ATOM 723 O ARG A 81 20.355 -14.562 -11.025 1.00 0.00 O ATOM 724 CB ARG A 81 19.733 -11.491 -10.116 1.00 0.00 C ATOM 725 CG ARG A 81 19.276 -11.669 -11.575 1.00 0.00 C ATOM 726 CD ARG A 81 17.921 -12.387 -11.625 1.00 0.00 C ATOM 727 NE ARG A 81 17.395 -12.422 -12.995 1.00 0.00 N ATOM 728 CZ ARG A 81 16.280 -13.092 -13.334 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.591 -13.767 -12.402 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.854 -13.085 -14.603 1.00 0.00 N ATOM 0 H ARG A 81 20.496 -11.693 -7.799 1.00 0.00 H new ATOM 0 HA ARG A 81 18.939 -13.347 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.000 -10.898 -9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.673 -10.940 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.198 -10.696 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.020 -12.242 -12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.030 -13.404 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.212 -11.879 -10.972 1.00 0.00 H new ATOM 0 HE ARG A 81 17.898 -11.915 -13.723 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.913 -13.772 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.745 -14.275 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.376 -12.571 -15.313 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.008 -13.594 -14.860 1.00 0.00 H new ATOM 744 N TRP A 82 22.149 -13.616 -10.098 1.00 0.00 N ATOM 745 CA TRP A 82 23.059 -14.432 -10.872 1.00 0.00 C ATOM 746 C TRP A 82 23.272 -15.806 -10.217 1.00 0.00 C ATOM 747 O TRP A 82 22.842 -16.821 -10.754 1.00 0.00 O ATOM 748 CB TRP A 82 24.395 -13.722 -11.067 1.00 0.00 C ATOM 749 CG TRP A 82 25.344 -14.524 -11.893 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.388 -15.221 -11.427 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.319 -14.783 -13.330 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.010 -15.908 -12.434 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.391 -15.673 -13.645 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.495 -14.371 -14.404 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.631 -16.133 -14.941 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.735 -14.832 -15.718 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.798 -15.715 -15.981 1.00 0.00 C ATOM 0 H TRP A 82 22.595 -12.961 -9.456 1.00 0.00 H new ATOM 0 HA TRP A 82 22.606 -14.591 -11.851 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.225 -12.757 -11.545 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.843 -13.521 -10.094 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.698 -15.239 -10.393 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.822 -16.512 -12.307 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.673 -13.696 -14.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.453 -16.806 -15.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.098 -14.504 -16.526 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.970 -16.069 -16.987 1.00 0.00 H new ATOM 768 N GLN A 83 23.959 -15.829 -9.073 1.00 0.00 N ATOM 769 CA GLN A 83 24.345 -17.071 -8.403 1.00 0.00 C ATOM 770 C GLN A 83 23.143 -17.948 -8.042 1.00 0.00 C ATOM 771 O GLN A 83 23.239 -19.172 -8.106 1.00 0.00 O ATOM 772 CB GLN A 83 25.122 -16.729 -7.120 1.00 0.00 C ATOM 773 CG GLN A 83 26.428 -15.988 -7.444 1.00 0.00 C ATOM 774 CD GLN A 83 27.548 -16.962 -7.808 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.401 -17.262 -6.978 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.549 -17.453 -9.047 1.00 0.00 N ATOM 0 H GLN A 83 24.263 -14.986 -8.585 1.00 0.00 H new ATOM 0 HA GLN A 83 24.964 -17.638 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.502 -16.112 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.346 -17.644 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.261 -15.298 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.730 -15.388 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.821 -17.177 -9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.278 -18.105 -9.337 1.00 0.00 H new ATOM 785 N LYS A 84 22.030 -17.339 -7.631 1.00 0.00 N ATOM 786 CA LYS A 84 20.888 -18.093 -7.131 1.00 0.00 C ATOM 787 C LYS A 84 20.029 -18.704 -8.247 1.00 0.00 C ATOM 788 O LYS A 84 19.235 -19.597 -7.954 1.00 0.00 O ATOM 789 CB LYS A 84 20.038 -17.176 -6.239 1.00 0.00 C ATOM 790 CG LYS A 84 19.308 -18.003 -5.178 1.00 0.00 C ATOM 791 CD LYS A 84 18.556 -17.062 -4.230 1.00 0.00 C ATOM 792 CE LYS A 84 17.777 -17.875 -3.190 1.00 0.00 C ATOM 793 NZ LYS A 84 18.686 -18.611 -2.292 1.00 0.00 N ATOM 0 H LYS A 84 21.899 -16.328 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 84 21.275 -18.935 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.674 -16.433 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.316 -16.632 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.610 -18.692 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.021 -18.608 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.261 -16.397 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.871 -16.432 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.145 -17.208 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.115 -18.578 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.149 -18.984 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.123 -19.400 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.429 -17.969 -1.948 1.00 0.00 H new ATOM 807 N VAL A 85 20.151 -18.246 -9.512 1.00 0.00 N ATOM 808 CA VAL A 85 19.295 -18.782 -10.580 1.00 0.00 C ATOM 809 C VAL A 85 20.038 -18.929 -11.923 1.00 0.00 C ATOM 810 O VAL A 85 19.924 -19.980 -12.553 1.00 0.00 O ATOM 811 CB VAL A 85 18.011 -17.927 -10.723 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.064 -18.205 -9.551 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.338 -16.441 -10.752 1.00 0.00 C ATOM 0 H VAL A 85 20.813 -17.529 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 85 19.006 -19.792 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 85 17.533 -18.200 -11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.164 -17.600 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.793 -19.261 -9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.561 -17.952 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.417 -15.868 -10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 85 18.840 -16.161 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.992 -16.229 -11.598 1.00 0.00 H new ATOM 823 N LEU A 86 20.788 -17.911 -12.383 1.00 0.00 N ATOM 824 CA LEU A 86 21.495 -18.027 -13.667 1.00 0.00 C ATOM 825 C LEU A 86 22.551 -19.127 -13.573 1.00 0.00 C ATOM 826 O LEU A 86 23.299 -19.195 -12.599 1.00 0.00 O ATOM 827 CB LEU A 86 22.185 -16.702 -14.058 1.00 0.00 C ATOM 828 CG LEU A 86 21.305 -15.802 -14.960 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.619 -16.611 -16.068 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.260 -15.081 -14.119 1.00 0.00 C ATOM 0 H LEU A 86 20.917 -17.023 -11.899 1.00 0.00 H new ATOM 0 HA LEU A 86 20.758 -18.270 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.446 -16.154 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.118 -16.924 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 86 21.957 -15.069 -15.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.010 -15.946 -16.680 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.375 -17.088 -16.692 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.983 -17.375 -15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.646 -14.451 -14.763 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.627 -15.814 -13.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.758 -14.462 -13.373 1.00 0.00 H new ATOM 842 N ASN A 87 22.613 -19.983 -14.599 1.00 0.00 N ATOM 843 CA ASN A 87 23.589 -21.057 -14.654 1.00 0.00 C ATOM 844 C ASN A 87 23.742 -21.533 -16.102 1.00 0.00 C ATOM 845 O ASN A 87 23.073 -22.479 -16.511 1.00 0.00 O ATOM 846 CB ASN A 87 23.138 -22.208 -13.743 1.00 0.00 C ATOM 847 CG ASN A 87 24.003 -23.452 -13.949 1.00 0.00 C ATOM 848 OD1 ASN A 87 23.482 -24.546 -14.144 1.00 0.00 O ATOM 849 ND2 ASN A 87 25.327 -23.284 -13.909 1.00 0.00 N ATOM 0 H ASN A 87 21.989 -19.945 -15.405 1.00 0.00 H new ATOM 0 HA ASN A 87 24.557 -20.699 -14.303 1.00 0.00 H new ATOM 0 HB2 ASN A 87 23.193 -21.893 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 87 22.095 -22.450 -13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 87 25.947 -24.083 -14.043 1.00 0.00 H new ATOM 0 HD22 ASN A 87 25.719 -22.357 -13.744 1.00 0.00 H new ATOM 856 N PRO A 88 24.624 -20.880 -16.885 1.00 0.00 N ATOM 857 CA PRO A 88 24.868 -21.260 -18.260 1.00 0.00 C ATOM 858 C PRO A 88 25.439 -22.676 -18.317 1.00 0.00 C ATOM 859 O PRO A 88 25.002 -23.491 -19.126 1.00 0.00 O ATOM 860 CB PRO A 88 25.860 -20.230 -18.812 1.00 0.00 C ATOM 861 CG PRO A 88 26.171 -19.252 -17.671 1.00 0.00 C ATOM 862 CD PRO A 88 25.411 -19.749 -16.441 1.00 0.00 C ATOM 0 HA PRO A 88 23.953 -21.268 -18.853 1.00 0.00 H new ATOM 0 HB2 PRO A 88 26.770 -20.719 -19.160 1.00 0.00 H new ATOM 0 HB3 PRO A 88 25.434 -19.704 -19.666 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.243 -19.216 -17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 88 25.861 -18.241 -17.934 1.00 0.00 H new ATOM 0 HD2 PRO A 88 26.100 -20.041 -15.649 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.772 -18.965 -16.035 1.00 0.00 H new ATOM 870 N GLU A 89 26.416 -22.958 -17.446 1.00 0.00 N ATOM 871 CA GLU A 89 27.043 -24.266 -17.372 1.00 0.00 C ATOM 872 C GLU A 89 27.680 -24.434 -15.991 1.00 0.00 C ATOM 873 O GLU A 89 27.131 -25.121 -15.132 1.00 0.00 O ATOM 874 CB GLU A 89 28.081 -24.398 -18.497 1.00 0.00 C ATOM 875 CG GLU A 89 28.730 -25.785 -18.457 1.00 0.00 C ATOM 876 CD GLU A 89 29.777 -25.922 -19.554 1.00 0.00 C ATOM 877 OE1 GLU A 89 30.808 -25.224 -19.442 1.00 0.00 O ATOM 878 OE2 GLU A 89 29.528 -26.719 -20.483 1.00 0.00 O ATOM 0 H GLU A 89 26.787 -22.282 -16.778 1.00 0.00 H new ATOM 0 HA GLU A 89 26.303 -25.056 -17.506 1.00 0.00 H new ATOM 0 HB2 GLU A 89 27.603 -24.240 -19.464 1.00 0.00 H new ATOM 0 HB3 GLU A 89 28.845 -23.628 -18.389 1.00 0.00 H new ATOM 0 HG2 GLU A 89 29.193 -25.947 -17.484 1.00 0.00 H new ATOM 0 HG3 GLU A 89 27.966 -26.553 -18.579 1.00 0.00 H new HETATM 885 N NH2 A 90 28.833 -23.801 -15.773 1.00 0.00 N TER 888 NH2 A 90