USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 306 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 Single : A 1 THR N :NH3+ -168:sc= -0.0293 (180deg=-0.218) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.0104 (180deg=-0.121) USER MOD Single : A 10 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.37) USER MOD Single : A 24 CYS SG : rot 77:sc= 1.24 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.102 (180deg=-0.508) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.39! C(o=-1.4!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.271 -7.355 3.267 1.00 0.00 N ATOM 2 CA THR A 1 -19.424 -8.213 3.613 1.00 0.00 C ATOM 3 C THR A 1 -19.737 -8.130 5.110 1.00 0.00 C ATOM 4 O THR A 1 -20.882 -8.304 5.529 1.00 0.00 O ATOM 5 CB THR A 1 -19.149 -9.679 3.208 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.805 -9.738 1.815 1.00 0.00 O ATOM 7 CG2 THR A 1 -20.360 -10.563 3.463 1.00 0.00 C ATOM 0 H1 THR A 1 -18.203 -7.266 2.233 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.401 -6.413 3.688 1.00 0.00 H new ATOM 0 H3 THR A 1 -17.397 -7.782 3.636 1.00 0.00 H new ATOM 0 HA THR A 1 -20.291 -7.852 3.059 1.00 0.00 H new ATOM 0 HB THR A 1 -18.322 -10.046 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.629 -10.668 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.132 -11.587 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 1 -20.611 -10.539 4.523 1.00 0.00 H new ATOM 0 HG23 THR A 1 -21.206 -10.197 2.882 1.00 0.00 H new ATOM 17 N TRP A 2 -18.722 -7.842 5.916 1.00 0.00 N ATOM 18 CA TRP A 2 -18.903 -7.712 7.355 1.00 0.00 C ATOM 19 C TRP A 2 -18.520 -6.311 7.813 1.00 0.00 C ATOM 20 O TRP A 2 -17.378 -6.065 8.215 1.00 0.00 O ATOM 21 CB TRP A 2 -18.080 -8.766 8.095 1.00 0.00 C ATOM 22 CG TRP A 2 -18.583 -10.160 7.880 1.00 0.00 C ATOM 23 CD1 TRP A 2 -18.248 -11.003 6.861 1.00 0.00 C ATOM 24 CD2 TRP A 2 -19.515 -10.872 8.702 1.00 0.00 C ATOM 25 NE1 TRP A 2 -18.919 -12.193 6.997 1.00 0.00 N ATOM 26 CE2 TRP A 2 -19.698 -12.139 8.122 1.00 0.00 C ATOM 27 CE3 TRP A 2 -20.209 -10.562 9.875 1.00 0.00 C ATOM 28 CZ2 TRP A 2 -20.549 -13.095 8.673 1.00 0.00 C ATOM 29 CZ3 TRP A 2 -21.053 -11.511 10.421 1.00 0.00 C ATOM 30 CH2 TRP A 2 -21.214 -12.765 9.820 1.00 0.00 C ATOM 0 H TRP A 2 -17.765 -7.694 5.596 1.00 0.00 H new ATOM 0 HA TRP A 2 -19.955 -7.874 7.589 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -17.043 -8.705 7.766 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -18.090 -8.543 9.162 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -17.557 -10.769 6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -18.849 -12.989 6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -20.088 -9.598 10.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -20.678 -14.062 8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -21.597 -11.281 11.325 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -21.878 -13.487 10.273 1.00 0.00 H new ATOM 41 N SER A 3 -19.488 -5.398 7.735 1.00 0.00 N ATOM 42 CA SER A 3 -19.282 -3.996 8.086 1.00 0.00 C ATOM 43 C SER A 3 -18.220 -3.366 7.185 1.00 0.00 C ATOM 44 O SER A 3 -17.360 -2.614 7.645 1.00 0.00 O ATOM 45 CB SER A 3 -18.890 -3.865 9.562 1.00 0.00 C ATOM 46 OG SER A 3 -19.869 -4.463 10.400 1.00 0.00 O ATOM 0 H SER A 3 -20.437 -5.611 7.426 1.00 0.00 H new ATOM 0 HA SER A 3 -20.219 -3.460 7.932 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.923 -4.339 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.778 -2.812 9.821 1.00 0.00 H new ATOM 0 HG SER A 3 -19.598 -4.370 11.337 1.00 0.00 H new ATOM 52 N GLY A 4 -18.303 -3.659 5.894 1.00 0.00 N ATOM 53 CA GLY A 4 -17.284 -3.206 4.971 1.00 0.00 C ATOM 54 C GLY A 4 -17.820 -2.298 3.882 1.00 0.00 C ATOM 55 O GLY A 4 -17.190 -2.145 2.835 1.00 0.00 O ATOM 0 H GLY A 4 -19.056 -4.201 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.510 -2.677 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.810 -4.073 4.511 1.00 0.00 H new ATOM 59 N THR A 5 -18.969 -1.685 4.124 1.00 0.00 N ATOM 60 CA THR A 5 -19.561 -0.771 3.158 1.00 0.00 C ATOM 61 C THR A 5 -18.710 0.486 3.009 1.00 0.00 C ATOM 62 O THR A 5 -18.307 0.850 1.904 1.00 0.00 O ATOM 63 CB THR A 5 -20.992 -0.386 3.568 1.00 0.00 C ATOM 64 OG1 THR A 5 -21.060 -0.208 4.990 1.00 0.00 O ATOM 65 CG2 THR A 5 -21.985 -1.453 3.133 1.00 0.00 C ATOM 0 H THR A 5 -19.510 -1.804 4.981 1.00 0.00 H new ATOM 0 HA THR A 5 -19.600 -1.286 2.198 1.00 0.00 H new ATOM 0 HB THR A 5 -21.252 0.549 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 5 -21.973 0.039 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 5 -22.990 -1.159 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 5 -21.948 -1.564 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 -21.729 -2.402 3.604 1.00 0.00 H new ATOM 73 N LYS A 6 -18.408 1.122 4.134 1.00 0.00 N ATOM 74 CA LYS A 6 -17.562 2.309 4.143 1.00 0.00 C ATOM 75 C LYS A 6 -16.092 1.915 4.064 1.00 0.00 C ATOM 76 O LYS A 6 -15.201 2.763 4.102 1.00 0.00 O ATOM 77 CB LYS A 6 -17.804 3.130 5.409 1.00 0.00 C ATOM 78 CG LYS A 6 -19.201 3.721 5.506 1.00 0.00 C ATOM 79 CD LYS A 6 -19.391 4.493 6.804 1.00 0.00 C ATOM 80 CE LYS A 6 -18.377 5.620 6.942 1.00 0.00 C ATOM 81 NZ LYS A 6 -18.580 6.402 8.187 1.00 0.00 N ATOM 0 H LYS A 6 -18.738 0.834 5.055 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.817 2.914 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.627 2.498 6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.075 3.939 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.377 4.383 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.940 2.922 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.400 4.905 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.296 3.812 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.370 5.204 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.453 6.284 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.869 7.159 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.532 6.821 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.482 5.775 9.011 1.00 0.00 H new ATOM 95 N LYS A 7 -15.846 0.619 3.947 1.00 0.00 N ATOM 96 CA LYS A 7 -14.490 0.106 3.908 1.00 0.00 C ATOM 97 C LYS A 7 -14.120 -0.317 2.494 1.00 0.00 C ATOM 98 O LYS A 7 -13.095 -0.959 2.278 1.00 0.00 O ATOM 99 CB LYS A 7 -14.335 -1.078 4.865 1.00 0.00 C ATOM 100 CG LYS A 7 -14.762 -0.778 6.296 1.00 0.00 C ATOM 101 CD LYS A 7 -13.978 0.381 6.898 1.00 0.00 C ATOM 102 CE LYS A 7 -12.493 0.072 7.006 1.00 0.00 C ATOM 103 NZ LYS A 7 -12.220 -1.068 7.920 1.00 0.00 N ATOM 0 H LYS A 7 -16.571 -0.096 3.877 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.816 0.902 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.923 -1.915 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.293 -1.396 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.826 -0.543 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.621 -1.668 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.119 1.271 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.373 0.610 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.099 -0.156 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.965 0.956 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.197 -1.135 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.717 -0.917 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.555 -1.951 7.484 1.00 0.00 H new ATOM 117 N ARG A 8 -14.959 0.046 1.533 1.00 0.00 N ATOM 118 CA ARG A 8 -14.702 -0.275 0.136 1.00 0.00 C ATOM 119 C ARG A 8 -13.552 0.590 -0.369 1.00 0.00 C ATOM 120 O ARG A 8 -12.650 0.113 -1.052 1.00 0.00 O ATOM 121 CB ARG A 8 -15.976 -0.045 -0.698 1.00 0.00 C ATOM 122 CG ARG A 8 -15.989 -0.719 -2.071 1.00 0.00 C ATOM 123 CD ARG A 8 -15.004 -0.088 -3.045 1.00 0.00 C ATOM 124 NE ARG A 8 -15.221 1.351 -3.206 1.00 0.00 N ATOM 125 CZ ARG A 8 -14.363 2.170 -3.819 1.00 0.00 C ATOM 126 NH1 ARG A 8 -13.251 1.691 -4.359 1.00 0.00 N ATOM 127 NH2 ARG A 8 -14.623 3.468 -3.898 1.00 0.00 N ATOM 0 H ARG A 8 -15.823 0.563 1.695 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.422 -1.324 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.833 -0.403 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.111 1.028 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.751 -1.776 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.994 -0.662 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.987 -0.262 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.093 -0.577 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.079 1.752 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.048 0.693 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.599 2.321 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.480 3.842 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.966 4.092 -4.367 1.00 0.00 H new ATOM 141 N ALA A 9 -13.586 1.864 -0.020 1.00 0.00 N ATOM 142 CA ALA A 9 -12.513 2.774 -0.379 1.00 0.00 C ATOM 143 C ALA A 9 -11.277 2.490 0.465 1.00 0.00 C ATOM 144 O ALA A 9 -10.150 2.503 -0.029 1.00 0.00 O ATOM 145 CB ALA A 9 -12.963 4.213 -0.198 1.00 0.00 C ATOM 0 H ALA A 9 -14.345 2.292 0.511 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.258 2.621 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.150 4.886 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.824 4.408 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.238 4.380 0.843 1.00 0.00 H new ATOM 151 N GLN A 10 -11.510 2.208 1.743 1.00 0.00 N ATOM 152 CA GLN A 10 -10.430 1.925 2.677 1.00 0.00 C ATOM 153 C GLN A 10 -9.670 0.666 2.285 1.00 0.00 C ATOM 154 O GLN A 10 -8.455 0.601 2.447 1.00 0.00 O ATOM 155 CB GLN A 10 -10.975 1.782 4.098 1.00 0.00 C ATOM 156 CG GLN A 10 -11.431 3.094 4.709 1.00 0.00 C ATOM 157 CD GLN A 10 -10.288 4.075 4.883 1.00 0.00 C ATOM 158 OE1 GLN A 10 -9.999 4.875 3.993 1.00 0.00 O ATOM 159 NE2 GLN A 10 -9.625 4.013 6.026 1.00 0.00 N ATOM 0 H GLN A 10 -12.442 2.170 2.155 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.737 2.765 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.813 1.085 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.204 1.344 4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.197 3.541 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.892 2.901 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.897 3.335 6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.841 4.643 6.196 1.00 0.00 H new ATOM 168 N ARG A 11 -10.380 -0.327 1.759 1.00 0.00 N ATOM 169 CA ARG A 11 -9.745 -1.583 1.377 1.00 0.00 C ATOM 170 C ARG A 11 -8.762 -1.345 0.236 1.00 0.00 C ATOM 171 O ARG A 11 -7.702 -1.963 0.177 1.00 0.00 O ATOM 172 CB ARG A 11 -10.790 -2.641 0.986 1.00 0.00 C ATOM 173 CG ARG A 11 -11.396 -2.455 -0.393 1.00 0.00 C ATOM 174 CD ARG A 11 -12.482 -3.480 -0.666 1.00 0.00 C ATOM 175 NE ARG A 11 -11.966 -4.848 -0.648 1.00 0.00 N ATOM 176 CZ ARG A 11 -12.693 -5.920 -0.949 1.00 0.00 C ATOM 177 NH1 ARG A 11 -13.983 -5.793 -1.242 1.00 0.00 N ATOM 178 NH2 ARG A 11 -12.134 -7.123 -0.949 1.00 0.00 N ATOM 0 H ARG A 11 -11.385 -0.288 1.589 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.198 -1.966 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.325 -3.626 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.592 -2.630 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.812 -1.451 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.616 -2.540 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.269 -3.380 0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.935 -3.277 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.990 -4.988 -0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.419 -4.871 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.537 -6.618 -1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.146 -7.226 -0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.692 -7.945 -1.180 1.00 0.00 H new ATOM 192 N ILE A 12 -9.112 -0.418 -0.650 1.00 0.00 N ATOM 193 CA ILE A 12 -8.238 -0.053 -1.751 1.00 0.00 C ATOM 194 C ILE A 12 -7.020 0.679 -1.207 1.00 0.00 C ATOM 195 O ILE A 12 -5.891 0.417 -1.617 1.00 0.00 O ATOM 196 CB ILE A 12 -8.968 0.836 -2.784 1.00 0.00 C ATOM 197 CG1 ILE A 12 -10.179 0.099 -3.367 1.00 0.00 C ATOM 198 CG2 ILE A 12 -8.018 1.266 -3.897 1.00 0.00 C ATOM 199 CD1 ILE A 12 -9.826 -1.196 -4.072 1.00 0.00 C ATOM 0 H ILE A 12 -9.995 0.092 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.928 -0.966 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.321 1.732 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.883 -0.116 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.689 0.757 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.554 1.890 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.190 1.832 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.630 0.383 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.734 -1.660 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.146 -0.987 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.343 -1.874 -3.368 1.00 0.00 H new ATOM 211 N LEU A 13 -7.268 1.578 -0.257 1.00 0.00 N ATOM 212 CA LEU A 13 -6.208 2.308 0.421 1.00 0.00 C ATOM 213 C LEU A 13 -5.169 1.350 1.000 1.00 0.00 C ATOM 214 O LEU A 13 -3.967 1.574 0.864 1.00 0.00 O ATOM 215 CB LEU A 13 -6.797 3.180 1.535 1.00 0.00 C ATOM 216 CG LEU A 13 -5.779 3.968 2.365 1.00 0.00 C ATOM 217 CD1 LEU A 13 -5.018 4.950 1.489 1.00 0.00 C ATOM 218 CD2 LEU A 13 -6.474 4.695 3.505 1.00 0.00 C ATOM 0 H LEU A 13 -8.207 1.818 0.061 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.714 2.948 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.498 3.885 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.371 2.542 2.207 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.063 3.265 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.300 5.500 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.489 4.406 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.719 5.650 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.737 5.250 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.212 5.387 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.972 3.970 4.149 1.00 0.00 H new ATOM 230 N ILE A 14 -5.642 0.278 1.631 1.00 0.00 N ATOM 231 CA ILE A 14 -4.760 -0.733 2.203 1.00 0.00 C ATOM 232 C ILE A 14 -3.852 -1.334 1.134 1.00 0.00 C ATOM 233 O ILE A 14 -2.646 -1.485 1.340 1.00 0.00 O ATOM 234 CB ILE A 14 -5.570 -1.864 2.869 1.00 0.00 C ATOM 235 CG1 ILE A 14 -6.574 -1.277 3.862 1.00 0.00 C ATOM 236 CG2 ILE A 14 -4.646 -2.852 3.568 1.00 0.00 C ATOM 237 CD1 ILE A 14 -5.941 -0.448 4.960 1.00 0.00 C ATOM 0 H ILE A 14 -6.636 0.088 1.759 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.149 -0.237 2.958 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.115 -2.401 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.287 -0.658 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.139 -2.091 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.240 -3.641 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.964 -3.291 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.072 -2.333 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.718 -0.067 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.249 -1.067 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.399 0.388 4.518 1.00 0.00 H new ATOM 249 N PHE A 15 -4.441 -1.648 -0.011 1.00 0.00 N ATOM 250 CA PHE A 15 -3.718 -2.284 -1.108 1.00 0.00 C ATOM 251 C PHE A 15 -2.716 -1.323 -1.739 1.00 0.00 C ATOM 252 O PHE A 15 -1.634 -1.724 -2.169 1.00 0.00 O ATOM 253 CB PHE A 15 -4.702 -2.762 -2.176 1.00 0.00 C ATOM 254 CG PHE A 15 -5.735 -3.733 -1.678 1.00 0.00 C ATOM 255 CD1 PHE A 15 -5.468 -4.573 -0.608 1.00 0.00 C ATOM 256 CD2 PHE A 15 -6.977 -3.803 -2.285 1.00 0.00 C ATOM 257 CE1 PHE A 15 -6.420 -5.462 -0.153 1.00 0.00 C ATOM 258 CE2 PHE A 15 -7.933 -4.690 -1.836 1.00 0.00 C ATOM 259 CZ PHE A 15 -7.654 -5.521 -0.768 1.00 0.00 C ATOM 0 H PHE A 15 -5.426 -1.472 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.173 -3.135 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.210 -1.895 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.142 -3.230 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.503 -4.531 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.200 -3.155 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.200 -6.110 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.898 -4.735 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.401 -6.216 -0.415 1.00 0.00 H new ATOM 269 N LEU A 16 -3.097 -0.060 -1.823 1.00 0.00 N ATOM 270 CA LEU A 16 -2.204 0.971 -2.334 1.00 0.00 C ATOM 271 C LEU A 16 -1.044 1.177 -1.372 1.00 0.00 C ATOM 272 O LEU A 16 0.121 1.138 -1.764 1.00 0.00 O ATOM 273 CB LEU A 16 -2.953 2.295 -2.521 1.00 0.00 C ATOM 274 CG LEU A 16 -4.230 2.216 -3.359 1.00 0.00 C ATOM 275 CD1 LEU A 16 -4.895 3.580 -3.446 1.00 0.00 C ATOM 276 CD2 LEU A 16 -3.931 1.678 -4.751 1.00 0.00 C ATOM 0 H LEU A 16 -4.018 0.278 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.823 0.644 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.208 2.690 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.277 3.012 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.917 1.527 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.802 3.505 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.150 3.925 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.210 4.290 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.854 1.631 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.223 2.338 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.502 0.679 -4.671 1.00 0.00 H new ATOM 288 N LEU A 17 -1.386 1.370 -0.106 1.00 0.00 N ATOM 289 CA LEU A 17 -0.406 1.645 0.938 1.00 0.00 C ATOM 290 C LEU A 17 0.617 0.510 1.032 1.00 0.00 C ATOM 291 O LEU A 17 1.826 0.755 1.052 1.00 0.00 O ATOM 292 CB LEU A 17 -1.133 1.847 2.278 1.00 0.00 C ATOM 293 CG LEU A 17 -0.392 2.676 3.337 1.00 0.00 C ATOM 294 CD1 LEU A 17 -1.340 3.052 4.466 1.00 0.00 C ATOM 295 CD2 LEU A 17 0.800 1.918 3.893 1.00 0.00 C ATOM 0 H LEU A 17 -2.350 1.341 0.227 1.00 0.00 H new ATOM 0 HA LEU A 17 0.138 2.557 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.092 2.326 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.349 0.866 2.701 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.025 3.583 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.804 3.640 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.166 3.640 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.730 2.146 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.304 2.531 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.459 0.991 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.494 1.687 3.085 1.00 0.00 H new ATOM 307 N GLU A 18 0.130 -0.730 1.061 1.00 0.00 N ATOM 308 CA GLU A 18 1.005 -1.895 1.187 1.00 0.00 C ATOM 309 C GLU A 18 1.966 -1.977 0.006 1.00 0.00 C ATOM 310 O GLU A 18 3.107 -2.420 0.145 1.00 0.00 O ATOM 311 CB GLU A 18 0.182 -3.186 1.277 1.00 0.00 C ATOM 312 CG GLU A 18 -0.531 -3.554 -0.008 1.00 0.00 C ATOM 313 CD GLU A 18 -1.191 -4.912 0.058 1.00 0.00 C ATOM 314 OE1 GLU A 18 -0.518 -5.922 -0.236 1.00 0.00 O ATOM 315 OE2 GLU A 18 -2.388 -4.984 0.399 1.00 0.00 O ATOM 0 H GLU A 18 -0.863 -0.954 0.999 1.00 0.00 H new ATOM 0 HA GLU A 18 1.582 -1.782 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.841 -4.006 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.556 -3.079 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.285 -2.799 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.183 -3.542 -0.831 1.00 0.00 H new ATOM 322 N PHE A 19 1.495 -1.537 -1.150 1.00 0.00 N ATOM 323 CA PHE A 19 2.297 -1.553 -2.359 1.00 0.00 C ATOM 324 C PHE A 19 3.336 -0.441 -2.327 1.00 0.00 C ATOM 325 O PHE A 19 4.501 -0.662 -2.638 1.00 0.00 O ATOM 326 CB PHE A 19 1.404 -1.398 -3.591 1.00 0.00 C ATOM 327 CG PHE A 19 2.158 -1.463 -4.889 1.00 0.00 C ATOM 328 CD1 PHE A 19 2.431 -2.683 -5.485 1.00 0.00 C ATOM 329 CD2 PHE A 19 2.602 -0.305 -5.506 1.00 0.00 C ATOM 330 CE1 PHE A 19 3.130 -2.745 -6.674 1.00 0.00 C ATOM 331 CE2 PHE A 19 3.304 -0.361 -6.691 1.00 0.00 C ATOM 332 CZ PHE A 19 3.568 -1.582 -7.277 1.00 0.00 C ATOM 0 H PHE A 19 0.555 -1.162 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 19 2.813 -2.511 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.645 -2.181 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.879 -0.444 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.094 -3.595 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.396 0.653 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.334 -3.702 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.647 0.549 -7.160 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.117 -1.628 -8.206 1.00 0.00 H new ATOM 342 N LEU A 20 2.904 0.753 -1.945 1.00 0.00 N ATOM 343 CA LEU A 20 3.778 1.920 -1.926 1.00 0.00 C ATOM 344 C LEU A 20 4.961 1.721 -0.983 1.00 0.00 C ATOM 345 O LEU A 20 6.091 2.071 -1.319 1.00 0.00 O ATOM 346 CB LEU A 20 2.986 3.164 -1.528 1.00 0.00 C ATOM 347 CG LEU A 20 1.867 3.551 -2.495 1.00 0.00 C ATOM 348 CD1 LEU A 20 1.056 4.705 -1.934 1.00 0.00 C ATOM 349 CD2 LEU A 20 2.440 3.912 -3.859 1.00 0.00 C ATOM 0 H LEU A 20 1.948 0.940 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 20 4.176 2.055 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.553 3.001 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.676 4.003 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 20 1.206 2.693 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.264 4.968 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.615 4.411 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.706 5.567 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.629 4.185 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.124 4.754 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.978 3.056 -4.266 1.00 0.00 H new ATOM 361 N LEU A 21 4.706 1.145 0.187 1.00 0.00 N ATOM 362 CA LEU A 21 5.772 0.903 1.153 1.00 0.00 C ATOM 363 C LEU A 21 6.711 -0.196 0.651 1.00 0.00 C ATOM 364 O LEU A 21 7.912 -0.178 0.925 1.00 0.00 O ATOM 365 CB LEU A 21 5.194 0.565 2.539 1.00 0.00 C ATOM 366 CG LEU A 21 4.364 -0.718 2.632 1.00 0.00 C ATOM 367 CD1 LEU A 21 5.255 -1.930 2.846 1.00 0.00 C ATOM 368 CD2 LEU A 21 3.342 -0.613 3.750 1.00 0.00 C ATOM 0 H LEU A 21 3.780 0.840 0.488 1.00 0.00 H new ATOM 0 HA LEU A 21 6.356 1.817 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.021 0.490 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.572 1.399 2.863 1.00 0.00 H new ATOM 0 HG LEU A 21 3.837 -0.845 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.640 -2.827 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.949 -2.023 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.816 -1.810 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.762 -1.534 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.855 -0.455 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.674 0.226 3.555 1.00 0.00 H new ATOM 380 N ASP A 22 6.153 -1.138 -0.102 1.00 0.00 N ATOM 381 CA ASP A 22 6.935 -2.225 -0.685 1.00 0.00 C ATOM 382 C ASP A 22 7.762 -1.697 -1.852 1.00 0.00 C ATOM 383 O ASP A 22 8.896 -2.116 -2.070 1.00 0.00 O ATOM 384 CB ASP A 22 6.013 -3.355 -1.151 1.00 0.00 C ATOM 385 CG ASP A 22 6.764 -4.511 -1.784 1.00 0.00 C ATOM 386 OD1 ASP A 22 7.158 -5.448 -1.049 1.00 0.00 O ATOM 387 OD2 ASP A 22 6.945 -4.498 -3.020 1.00 0.00 O ATOM 0 H ASP A 22 5.158 -1.171 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 22 7.608 -2.624 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.441 -3.724 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.296 -2.958 -1.870 1.00 0.00 H new ATOM 392 N PHE A 23 7.180 -0.764 -2.587 1.00 0.00 N ATOM 393 CA PHE A 23 7.878 -0.083 -3.665 1.00 0.00 C ATOM 394 C PHE A 23 9.069 0.691 -3.106 1.00 0.00 C ATOM 395 O PHE A 23 10.128 0.756 -3.724 1.00 0.00 O ATOM 396 CB PHE A 23 6.914 0.866 -4.387 1.00 0.00 C ATOM 397 CG PHE A 23 7.508 1.560 -5.580 1.00 0.00 C ATOM 398 CD1 PHE A 23 7.507 0.947 -6.821 1.00 0.00 C ATOM 399 CD2 PHE A 23 8.058 2.827 -5.462 1.00 0.00 C ATOM 400 CE1 PHE A 23 8.044 1.584 -7.922 1.00 0.00 C ATOM 401 CE2 PHE A 23 8.598 3.467 -6.559 1.00 0.00 C ATOM 402 CZ PHE A 23 8.590 2.845 -7.792 1.00 0.00 C ATOM 0 H PHE A 23 6.216 -0.458 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 23 8.246 -0.820 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.039 0.301 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.566 1.619 -3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.082 -0.040 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.064 3.319 -4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.037 1.095 -8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.026 4.453 -6.453 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.010 3.344 -8.653 1.00 0.00 H new ATOM 412 N CYS A 24 8.883 1.271 -1.925 1.00 0.00 N ATOM 413 CA CYS A 24 9.941 2.020 -1.262 1.00 0.00 C ATOM 414 C CYS A 24 11.032 1.084 -0.745 1.00 0.00 C ATOM 415 O CYS A 24 12.160 1.107 -1.239 1.00 0.00 O ATOM 416 CB CYS A 24 9.366 2.849 -0.111 1.00 0.00 C ATOM 417 SG CYS A 24 8.137 4.067 -0.628 1.00 0.00 S ATOM 0 H CYS A 24 8.005 1.236 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 24 10.388 2.694 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.912 2.176 0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.182 3.364 0.396 1.00 0.00 H new ATOM 0 HG CYS A 24 7.009 3.469 -0.873 1.00 0.00 H new ATOM 423 N THR A 25 10.696 0.256 0.234 1.00 0.00 N ATOM 424 CA THR A 25 11.670 -0.646 0.825 1.00 0.00 C ATOM 425 C THR A 25 11.499 -2.064 0.291 1.00 0.00 C ATOM 426 O THR A 25 12.406 -2.616 -0.335 1.00 0.00 O ATOM 427 CB THR A 25 11.567 -0.649 2.365 1.00 0.00 C ATOM 428 OG1 THR A 25 10.211 -0.883 2.774 1.00 0.00 O ATOM 429 CG2 THR A 25 12.054 0.672 2.941 1.00 0.00 C ATOM 0 H THR A 25 9.760 0.191 0.634 1.00 0.00 H new ATOM 0 HA THR A 25 12.659 -0.284 0.544 1.00 0.00 H new ATOM 0 HB THR A 25 12.200 -1.451 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.160 -0.884 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.972 0.647 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.095 0.830 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.444 1.486 2.550 1.00 0.00 H new ATOM 437 N GLY A 26 10.333 -2.645 0.533 1.00 0.00 N ATOM 438 CA GLY A 26 10.053 -3.978 0.042 1.00 0.00 C ATOM 439 C GLY A 26 9.850 -4.976 1.160 1.00 0.00 C ATOM 440 O GLY A 26 10.670 -5.068 2.072 1.00 0.00 O ATOM 0 H GLY A 26 9.574 -2.215 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.161 -3.951 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.876 -4.309 -0.591 1.00 0.00 H new ATOM 444 N GLU A 27 8.755 -5.716 1.097 1.00 0.00 N ATOM 445 CA GLU A 27 8.475 -6.745 2.086 1.00 0.00 C ATOM 446 C GLU A 27 8.557 -8.123 1.444 1.00 0.00 C ATOM 447 O GLU A 27 9.173 -9.038 1.991 1.00 0.00 O ATOM 448 CB GLU A 27 7.093 -6.541 2.711 1.00 0.00 C ATOM 449 CG GLU A 27 6.910 -5.175 3.349 1.00 0.00 C ATOM 450 CD GLU A 27 5.593 -5.048 4.085 1.00 0.00 C ATOM 451 OE1 GLU A 27 4.531 -5.082 3.427 1.00 0.00 O ATOM 452 OE2 GLU A 27 5.609 -4.901 5.324 1.00 0.00 O ATOM 0 H GLU A 27 8.045 -5.623 0.371 1.00 0.00 H new ATOM 0 HA GLU A 27 9.223 -6.672 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.332 -6.679 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.927 -7.310 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.729 -4.990 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.966 -4.407 2.577 1.00 0.00 H new ATOM 459 N ASP A 28 7.932 -8.262 0.282 1.00 0.00 N ATOM 460 CA ASP A 28 7.960 -9.517 -0.463 1.00 0.00 C ATOM 461 C ASP A 28 8.238 -9.240 -1.938 1.00 0.00 C ATOM 462 O ASP A 28 8.286 -10.156 -2.759 1.00 0.00 O ATOM 463 CB ASP A 28 6.626 -10.263 -0.301 1.00 0.00 C ATOM 464 CG ASP A 28 6.656 -11.672 -0.870 1.00 0.00 C ATOM 465 OD1 ASP A 28 7.159 -12.584 -0.179 1.00 0.00 O ATOM 466 OD2 ASP A 28 6.170 -11.880 -2.003 1.00 0.00 O ATOM 0 H ASP A 28 7.397 -7.519 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 28 8.757 -10.146 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.370 -10.311 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.837 -9.695 -0.795 1.00 0.00 H new ATOM 471 N SER A 29 8.442 -7.957 -2.252 1.00 0.00 N ATOM 472 CA SER A 29 8.678 -7.496 -3.615 1.00 0.00 C ATOM 473 C SER A 29 7.414 -7.623 -4.466 1.00 0.00 C ATOM 474 O SER A 29 6.371 -8.083 -3.992 1.00 0.00 O ATOM 475 CB SER A 29 9.827 -8.272 -4.252 1.00 0.00 C ATOM 476 OG SER A 29 11.009 -8.185 -3.471 1.00 0.00 O ATOM 0 H SER A 29 8.447 -7.208 -1.560 1.00 0.00 H new ATOM 0 HA SER A 29 8.951 -6.442 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.542 -9.318 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.020 -7.883 -5.252 1.00 0.00 H new ATOM 0 HG SER A 29 11.726 -8.694 -3.905 1.00 0.00 H new ATOM 482 N VAL A 30 7.502 -7.192 -5.719 1.00 0.00 N ATOM 483 CA VAL A 30 6.376 -7.278 -6.638 1.00 0.00 C ATOM 484 C VAL A 30 6.665 -8.333 -7.714 1.00 0.00 C ATOM 485 O VAL A 30 6.251 -8.224 -8.872 1.00 0.00 O ATOM 486 CB VAL A 30 6.068 -5.892 -7.268 1.00 0.00 C ATOM 487 CG1 VAL A 30 7.167 -5.450 -8.224 1.00 0.00 C ATOM 488 CG2 VAL A 30 4.707 -5.887 -7.950 1.00 0.00 C ATOM 0 H VAL A 30 8.343 -6.779 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 30 5.488 -7.585 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 30 6.036 -5.166 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.914 -4.476 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.111 -5.379 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.263 -6.178 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.520 -4.904 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.693 -6.638 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.932 -6.116 -7.218 1.00 0.00 H new ATOM 498 N ASP A 31 7.374 -9.379 -7.304 1.00 0.00 N ATOM 499 CA ASP A 31 7.760 -10.452 -8.215 1.00 0.00 C ATOM 500 C ASP A 31 6.588 -11.402 -8.442 1.00 0.00 C ATOM 501 O ASP A 31 6.625 -12.262 -9.323 1.00 0.00 O ATOM 502 CB ASP A 31 8.966 -11.216 -7.662 1.00 0.00 C ATOM 503 CG ASP A 31 9.545 -12.193 -8.670 1.00 0.00 C ATOM 504 OD1 ASP A 31 10.125 -11.735 -9.680 1.00 0.00 O ATOM 505 OD2 ASP A 31 9.435 -13.420 -8.452 1.00 0.00 O ATOM 0 H ASP A 31 7.694 -9.507 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 31 8.040 -10.010 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.737 -10.506 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.669 -11.758 -6.764 1.00 0.00 H new ATOM 510 N GLY A 32 5.531 -11.213 -7.652 1.00 0.00 N ATOM 511 CA GLY A 32 4.315 -11.992 -7.812 1.00 0.00 C ATOM 512 C GLY A 32 3.560 -11.614 -9.070 1.00 0.00 C ATOM 513 O GLY A 32 2.523 -12.201 -9.382 1.00 0.00 O ATOM 0 H GLY A 32 5.497 -10.527 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.565 -13.052 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.672 -11.843 -6.945 1.00 0.00 H new ATOM 517 N LYS A 33 4.081 -10.610 -9.775 1.00 0.00 N ATOM 518 CA LYS A 33 3.575 -10.206 -11.083 1.00 0.00 C ATOM 519 C LYS A 33 2.183 -9.595 -10.992 1.00 0.00 C ATOM 520 O LYS A 33 1.376 -9.722 -11.910 1.00 0.00 O ATOM 521 CB LYS A 33 3.588 -11.395 -12.048 1.00 0.00 C ATOM 522 CG LYS A 33 4.987 -11.914 -12.321 1.00 0.00 C ATOM 523 CD LYS A 33 4.968 -13.216 -13.100 1.00 0.00 C ATOM 524 CE LYS A 33 6.377 -13.731 -13.338 1.00 0.00 C ATOM 525 NZ LYS A 33 7.147 -13.844 -12.071 1.00 0.00 N ATOM 0 H LYS A 33 4.871 -10.052 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 33 4.238 -9.432 -11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.981 -12.200 -11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.125 -11.099 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.549 -11.165 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.509 -12.064 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.392 -13.962 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.467 -13.064 -14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.330 -14.706 -13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.898 -13.060 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.976 -14.454 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.462 -12.899 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.542 -14.258 -11.333 1.00 0.00 H new ATOM 539 N LYS A 34 1.907 -8.929 -9.881 1.00 0.00 N ATOM 540 CA LYS A 34 0.695 -8.145 -9.754 1.00 0.00 C ATOM 541 C LYS A 34 1.013 -6.682 -10.028 1.00 0.00 C ATOM 542 O LYS A 34 0.675 -5.793 -9.243 1.00 0.00 O ATOM 543 CB LYS A 34 0.082 -8.303 -8.361 1.00 0.00 C ATOM 544 CG LYS A 34 -0.317 -9.728 -8.020 1.00 0.00 C ATOM 545 CD LYS A 34 -1.190 -9.787 -6.774 1.00 0.00 C ATOM 546 CE LYS A 34 -0.489 -9.209 -5.554 1.00 0.00 C ATOM 547 NZ LYS A 34 -1.356 -9.257 -4.347 1.00 0.00 N ATOM 0 H LYS A 34 2.508 -8.918 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.034 -8.503 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.797 -7.949 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.797 -7.663 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.854 -10.167 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.579 -10.329 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.114 -9.238 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.467 -10.822 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.429 -9.765 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.201 -8.177 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.844 -8.855 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.221 -8.706 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.610 -10.244 -4.141 1.00 0.00 H new ATOM 561 N ARG A 35 1.688 -6.444 -11.145 1.00 0.00 N ATOM 562 CA ARG A 35 2.111 -5.103 -11.514 1.00 0.00 C ATOM 563 C ARG A 35 1.026 -4.418 -12.327 1.00 0.00 C ATOM 564 O ARG A 35 0.891 -3.193 -12.302 1.00 0.00 O ATOM 565 CB ARG A 35 3.417 -5.159 -12.311 1.00 0.00 C ATOM 566 CG ARG A 35 4.547 -5.849 -11.564 1.00 0.00 C ATOM 567 CD ARG A 35 5.831 -5.885 -12.376 1.00 0.00 C ATOM 568 NE ARG A 35 6.386 -4.551 -12.596 1.00 0.00 N ATOM 569 CZ ARG A 35 7.686 -4.267 -12.523 1.00 0.00 C ATOM 570 NH1 ARG A 35 8.560 -5.214 -12.205 1.00 0.00 N ATOM 571 NH2 ARG A 35 8.109 -3.033 -12.768 1.00 0.00 N ATOM 0 H ARG A 35 1.954 -7.167 -11.813 1.00 0.00 H new ATOM 0 HA ARG A 35 2.284 -4.527 -10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.239 -5.682 -13.251 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.724 -4.144 -12.564 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.728 -5.330 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.248 -6.867 -11.315 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.567 -6.502 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.636 -6.358 -13.338 1.00 0.00 H new ATOM 0 HE ARG A 35 5.741 -3.793 -12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.237 -6.163 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.554 -4.993 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.439 -2.303 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.104 -2.814 -12.712 1.00 0.00 H new ATOM 585 N GLN A 36 0.251 -5.217 -13.038 1.00 0.00 N ATOM 586 CA GLN A 36 -0.836 -4.702 -13.848 1.00 0.00 C ATOM 587 C GLN A 36 -2.170 -5.067 -13.217 1.00 0.00 C ATOM 588 O GLN A 36 -2.843 -4.158 -12.687 1.00 0.00 O ATOM 589 CB GLN A 36 -0.747 -5.246 -15.275 1.00 0.00 C ATOM 590 CG GLN A 36 0.586 -4.970 -15.959 1.00 0.00 C ATOM 591 CD GLN A 36 0.857 -3.491 -16.185 1.00 0.00 C ATOM 592 OE1 GLN A 36 0.412 -2.628 -15.427 1.00 0.00 O ATOM 593 NE2 GLN A 36 1.593 -3.186 -17.238 1.00 0.00 N ATOM 594 OXT GLN A 36 -2.518 -6.265 -13.207 1.00 0.00 O ATOM 0 H GLN A 36 0.356 -6.231 -13.070 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.756 -3.616 -13.895 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.918 -6.322 -15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.548 -4.808 -15.871 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.390 -5.390 -15.354 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.606 -5.486 -16.919 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.946 -3.926 -17.845 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.809 -2.211 -17.444 1.00 0.00 H new TER 603 GLN A 36