USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 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 GLY N :NH3+ -133:sc= 0.00431 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0832 K(o=-0.083,f=-0.69) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0.892 (180deg=-0.549) USER MOD Single : A 21 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 25 SER OG : rot 170:sc= 0.244 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.085) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.106 (180deg=-0.552) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.194 -0.174 -0.543 1.00 61.25 N ATOM 2 CA GLY A 1 1.227 -0.346 -0.785 1.00 12.23 C ATOM 3 C GLY A 1 1.583 -1.770 -1.163 1.00 52.31 C ATOM 4 O GLY A 1 0.857 -2.419 -1.915 1.00 44.23 O ATOM 0 H1 GLY A 1 -0.531 0.673 -1.043 1.00 61.25 H new ATOM 0 H2 GLY A 1 -0.709 -1.009 -0.890 1.00 61.25 H new ATOM 0 H3 GLY A 1 -0.361 -0.063 0.477 1.00 61.25 H new ATOM 0 HA2 GLY A 1 1.541 0.327 -1.583 1.00 12.23 H new ATOM 0 HA3 GLY A 1 1.782 -0.061 0.109 1.00 12.23 H new ATOM 8 N ASN A 2 2.704 -2.256 -0.642 1.00 24.24 N ATOM 9 CA ASN A 2 3.157 -3.612 -0.931 1.00 74.12 C ATOM 10 C ASN A 2 2.491 -4.619 0.003 1.00 44.42 C ATOM 11 O ASN A 2 2.183 -4.304 1.152 1.00 33.24 O ATOM 12 CB ASN A 2 4.678 -3.704 -0.798 1.00 21.01 C ATOM 13 CG ASN A 2 5.384 -2.501 -1.393 1.00 63.32 C ATOM 14 OD1 ASN A 2 4.890 -1.881 -2.335 1.00 3.32 O ATOM 15 ND2 ASN A 2 6.547 -2.167 -0.845 1.00 53.22 N ATOM 0 H ASN A 2 3.316 -1.731 -0.017 1.00 24.24 H new ATOM 0 HA ASN A 2 2.874 -3.852 -1.956 1.00 74.12 H new ATOM 0 HB2 ASN A 2 4.943 -3.793 0.255 1.00 21.01 H new ATOM 0 HB3 ASN A 2 5.029 -4.609 -1.293 1.00 21.01 H new ATOM 0 HD21 ASN A 2 7.069 -1.367 -1.204 1.00 53.22 H new ATOM 0 HD22 ASN A 2 6.918 -2.710 -0.065 1.00 53.22 H new ATOM 22 N ASP A 3 2.274 -5.829 -0.499 1.00 64.21 N ATOM 23 CA ASP A 3 1.647 -6.883 0.290 1.00 25.02 C ATOM 24 C ASP A 3 2.098 -8.260 -0.187 1.00 31.32 C ATOM 25 O ASP A 3 1.713 -8.712 -1.266 1.00 12.03 O ATOM 26 CB ASP A 3 0.124 -6.774 0.207 1.00 1.05 C ATOM 27 CG ASP A 3 -0.437 -5.759 1.184 1.00 55.15 C ATOM 28 OD1 ASP A 3 -0.577 -6.098 2.377 1.00 74.41 O ATOM 29 OD2 ASP A 3 -0.738 -4.625 0.754 1.00 61.22 O ATOM 0 H ASP A 3 2.523 -6.105 -1.449 1.00 64.21 H new ATOM 0 HA ASP A 3 1.956 -6.759 1.328 1.00 25.02 H new ATOM 0 HB2 ASP A 3 -0.163 -6.495 -0.807 1.00 1.05 H new ATOM 0 HB3 ASP A 3 -0.319 -7.750 0.407 1.00 1.05 H new ATOM 34 N CYS A 4 2.916 -8.923 0.623 1.00 5.14 N ATOM 35 CA CYS A 4 3.421 -10.248 0.285 1.00 44.14 C ATOM 36 C CYS A 4 3.769 -11.036 1.544 1.00 1.02 C ATOM 37 O CYS A 4 3.658 -10.526 2.660 1.00 55.22 O ATOM 38 CB CYS A 4 4.654 -10.132 -0.615 1.00 31.45 C ATOM 39 SG CYS A 4 5.872 -8.900 -0.052 1.00 31.12 S ATOM 0 H CYS A 4 3.244 -8.564 1.520 1.00 5.14 H new ATOM 0 HA CYS A 4 2.637 -10.783 -0.251 1.00 44.14 H new ATOM 0 HB2 CYS A 4 5.140 -11.106 -0.675 1.00 31.45 H new ATOM 0 HB3 CYS A 4 4.331 -9.874 -1.624 1.00 31.45 H new ATOM 44 N LEU A 5 4.191 -12.282 1.358 1.00 1.31 N ATOM 45 CA LEU A 5 4.556 -13.141 2.479 1.00 60.43 C ATOM 46 C LEU A 5 6.045 -13.469 2.451 1.00 25.12 C ATOM 47 O LEU A 5 6.711 -13.294 1.432 1.00 44.52 O ATOM 48 CB LEU A 5 3.737 -14.433 2.444 1.00 63.11 C ATOM 49 CG LEU A 5 2.219 -14.264 2.378 1.00 40.25 C ATOM 50 CD1 LEU A 5 1.560 -15.544 1.887 1.00 2.23 C ATOM 51 CD2 LEU A 5 1.667 -13.865 3.738 1.00 11.13 C ATOM 0 H LEU A 5 4.289 -12.720 0.442 1.00 1.31 H new ATOM 0 HA LEU A 5 4.338 -12.604 3.402 1.00 60.43 H new ATOM 0 HB2 LEU A 5 4.055 -15.018 1.581 1.00 63.11 H new ATOM 0 HB3 LEU A 5 3.979 -15.017 3.332 1.00 63.11 H new ATOM 0 HG LEU A 5 1.992 -13.468 1.669 1.00 40.25 H new ATOM 0 HD11 LEU A 5 0.480 -15.405 1.847 1.00 2.23 H new ATOM 0 HD12 LEU A 5 1.932 -15.786 0.892 1.00 2.23 H new ATOM 0 HD13 LEU A 5 1.795 -16.360 2.571 1.00 2.23 H new ATOM 0 HD21 LEU A 5 0.585 -13.749 3.672 1.00 11.13 H new ATOM 0 HD22 LEU A 5 1.905 -14.638 4.468 1.00 11.13 H new ATOM 0 HD23 LEU A 5 2.115 -12.921 4.050 1.00 11.13 H new ATOM 63 N GLY A 6 6.562 -13.949 3.579 1.00 52.32 N ATOM 64 CA GLY A 6 7.969 -14.296 3.662 1.00 55.41 C ATOM 65 C GLY A 6 8.237 -15.731 3.254 1.00 51.54 C ATOM 66 O GLY A 6 7.504 -16.301 2.445 1.00 20.14 O ATOM 0 H GLY A 6 6.031 -14.104 4.436 1.00 52.32 H new ATOM 0 HA2 GLY A 6 8.544 -13.626 3.022 1.00 55.41 H new ATOM 0 HA3 GLY A 6 8.319 -14.140 4.682 1.00 55.41 H new ATOM 70 N PHE A 7 9.291 -16.316 3.812 1.00 44.51 N ATOM 71 CA PHE A 7 9.657 -17.692 3.499 1.00 33.21 C ATOM 72 C PHE A 7 8.909 -18.671 4.399 1.00 33.32 C ATOM 73 O PHE A 7 8.558 -18.345 5.533 1.00 2.41 O ATOM 74 CB PHE A 7 11.166 -17.890 3.655 1.00 50.21 C ATOM 75 CG PHE A 7 11.793 -18.643 2.516 1.00 13.42 C ATOM 76 CD1 PHE A 7 11.525 -19.989 2.328 1.00 41.12 C ATOM 77 CD2 PHE A 7 12.650 -18.004 1.635 1.00 52.14 C ATOM 78 CE1 PHE A 7 12.100 -20.685 1.281 1.00 51.42 C ATOM 79 CE2 PHE A 7 13.227 -18.694 0.586 1.00 61.24 C ATOM 80 CZ PHE A 7 12.953 -20.036 0.409 1.00 32.42 C ATOM 0 H PHE A 7 9.907 -15.858 4.484 1.00 44.51 H new ATOM 0 HA PHE A 7 9.377 -17.889 2.464 1.00 33.21 H new ATOM 0 HB2 PHE A 7 11.645 -16.915 3.743 1.00 50.21 H new ATOM 0 HB3 PHE A 7 11.360 -18.425 4.584 1.00 50.21 H new ATOM 0 HD1 PHE A 7 10.859 -20.501 3.007 1.00 41.12 H new ATOM 0 HD2 PHE A 7 12.870 -16.955 1.769 1.00 52.14 H new ATOM 0 HE1 PHE A 7 11.883 -21.734 1.145 1.00 51.42 H new ATOM 0 HE2 PHE A 7 13.892 -18.184 -0.095 1.00 61.24 H new ATOM 0 HZ PHE A 7 13.405 -20.577 -0.409 1.00 32.42 H new ATOM 90 N TRP A 8 8.668 -19.872 3.885 1.00 14.22 N ATOM 91 CA TRP A 8 7.961 -20.899 4.642 1.00 55.02 C ATOM 92 C TRP A 8 6.640 -20.364 5.184 1.00 51.41 C ATOM 93 O TRP A 8 6.173 -20.790 6.240 1.00 61.51 O ATOM 94 CB TRP A 8 8.832 -21.404 5.793 1.00 14.32 C ATOM 95 CG TRP A 8 10.254 -21.660 5.394 1.00 15.44 C ATOM 96 CD1 TRP A 8 11.364 -21.019 5.864 1.00 4.10 C ATOM 97 CD2 TRP A 8 10.716 -22.624 4.443 1.00 64.11 C ATOM 98 NE1 TRP A 8 12.490 -21.527 5.262 1.00 61.03 N ATOM 99 CE2 TRP A 8 12.120 -22.513 4.386 1.00 35.45 C ATOM 100 CE3 TRP A 8 10.083 -23.572 3.635 1.00 54.32 C ATOM 101 CZ2 TRP A 8 12.896 -23.314 3.553 1.00 1.00 C ATOM 102 CZ3 TRP A 8 10.855 -24.365 2.808 1.00 73.21 C ATOM 103 CH2 TRP A 8 12.249 -24.233 2.773 1.00 62.25 C ATOM 0 H TRP A 8 8.951 -20.158 2.948 1.00 14.22 H new ATOM 0 HA TRP A 8 7.746 -21.728 3.968 1.00 55.02 H new ATOM 0 HB2 TRP A 8 8.815 -20.672 6.600 1.00 14.32 H new ATOM 0 HB3 TRP A 8 8.402 -22.324 6.188 1.00 14.32 H new ATOM 0 HD1 TRP A 8 11.358 -20.229 6.600 1.00 4.10 H new ATOM 0 HE1 TRP A 8 13.446 -21.220 5.439 1.00 61.03 H new ATOM 0 HE3 TRP A 8 9.009 -23.683 3.657 1.00 54.32 H new ATOM 0 HZ2 TRP A 8 13.971 -23.214 3.524 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 10.375 -25.099 2.178 1.00 73.21 H new ATOM 0 HH2 TRP A 8 12.825 -24.869 2.117 1.00 62.25 H new ATOM 114 N SER A 9 6.042 -19.427 4.455 1.00 50.32 N ATOM 115 CA SER A 9 4.776 -18.831 4.865 1.00 1.43 C ATOM 116 C SER A 9 3.606 -19.486 4.138 1.00 31.12 C ATOM 117 O SER A 9 3.554 -19.500 2.909 1.00 63.32 O ATOM 118 CB SER A 9 4.784 -17.326 4.590 1.00 12.30 C ATOM 119 OG SER A 9 3.963 -16.634 5.515 1.00 4.24 O ATOM 0 H SER A 9 6.414 -19.064 3.577 1.00 50.32 H new ATOM 0 HA SER A 9 4.655 -18.997 5.935 1.00 1.43 H new ATOM 0 HB2 SER A 9 5.804 -16.948 4.651 1.00 12.30 H new ATOM 0 HB3 SER A 9 4.434 -17.137 3.575 1.00 12.30 H new ATOM 0 HG SER A 9 4.109 -15.669 5.424 1.00 4.24 H new ATOM 125 N ALA A 10 2.668 -20.028 4.908 1.00 20.21 N ATOM 126 CA ALA A 10 1.497 -20.684 4.339 1.00 42.21 C ATOM 127 C ALA A 10 0.806 -19.785 3.319 1.00 3.11 C ATOM 128 O ALA A 10 0.648 -18.584 3.541 1.00 21.01 O ATOM 129 CB ALA A 10 0.525 -21.079 5.441 1.00 5.21 C ATOM 0 H ALA A 10 2.696 -20.026 5.928 1.00 20.21 H new ATOM 0 HA ALA A 10 1.830 -21.585 3.824 1.00 42.21 H new ATOM 0 HB1 ALA A 10 -0.344 -21.568 5.001 1.00 5.21 H new ATOM 0 HB2 ALA A 10 1.016 -21.765 6.131 1.00 5.21 H new ATOM 0 HB3 ALA A 10 0.206 -20.188 5.981 1.00 5.21 H new ATOM 135 N CYS A 11 0.397 -20.373 2.200 1.00 31.11 N ATOM 136 CA CYS A 11 -0.276 -19.626 1.145 1.00 52.22 C ATOM 137 C CYS A 11 -1.211 -20.532 0.348 1.00 43.40 C ATOM 138 O CYS A 11 -1.382 -21.705 0.675 1.00 61.12 O ATOM 139 CB CYS A 11 0.751 -18.986 0.209 1.00 5.44 C ATOM 140 SG CYS A 11 2.002 -20.147 -0.428 1.00 75.14 S ATOM 0 H CYS A 11 0.520 -21.366 2.001 1.00 31.11 H new ATOM 0 HA CYS A 11 -0.870 -18.841 1.613 1.00 52.22 H new ATOM 0 HB2 CYS A 11 0.227 -18.535 -0.634 1.00 5.44 H new ATOM 0 HB3 CYS A 11 1.257 -18.179 0.739 1.00 5.44 H new ATOM 145 N ASN A 12 -1.812 -19.977 -0.699 1.00 54.04 N ATOM 146 CA ASN A 12 -2.730 -20.734 -1.543 1.00 61.21 C ATOM 147 C ASN A 12 -2.104 -21.025 -2.904 1.00 4.43 C ATOM 148 O ASN A 12 -1.421 -20.186 -3.493 1.00 13.15 O ATOM 149 CB ASN A 12 -4.040 -19.965 -1.726 1.00 20.31 C ATOM 150 CG ASN A 12 -5.256 -20.867 -1.641 1.00 33.10 C ATOM 151 OD1 ASN A 12 -5.495 -21.511 -0.619 1.00 72.13 O ATOM 152 ND2 ASN A 12 -6.032 -20.917 -2.718 1.00 22.23 N ATOM 0 H ASN A 12 -1.680 -19.006 -0.984 1.00 54.04 H new ATOM 0 HA ASN A 12 -2.939 -21.683 -1.049 1.00 61.21 H new ATOM 0 HB2 ASN A 12 -4.112 -19.189 -0.964 1.00 20.31 H new ATOM 0 HB3 ASN A 12 -4.031 -19.462 -2.693 1.00 20.31 H new ATOM 0 HD21 ASN A 12 -6.865 -21.506 -2.720 1.00 22.23 H new ATOM 0 HD22 ASN A 12 -5.795 -20.366 -3.543 1.00 22.23 H new ATOM 159 N PRO A 13 -2.340 -22.241 -3.416 1.00 75.25 N ATOM 160 CA PRO A 13 -1.810 -22.670 -4.714 1.00 22.42 C ATOM 161 C PRO A 13 -2.470 -21.943 -5.880 1.00 14.33 C ATOM 162 O PRO A 13 -1.946 -21.929 -6.994 1.00 34.02 O ATOM 163 CB PRO A 13 -2.144 -24.164 -4.757 1.00 42.42 C ATOM 164 CG PRO A 13 -3.321 -24.315 -3.857 1.00 11.21 C ATOM 165 CD PRO A 13 -3.145 -23.291 -2.769 1.00 70.25 C ATOM 0 HA PRO A 13 -0.746 -22.454 -4.811 1.00 22.42 H new ATOM 0 HB2 PRO A 13 -2.377 -24.489 -5.771 1.00 42.42 H new ATOM 0 HB3 PRO A 13 -1.304 -24.768 -4.414 1.00 42.42 H new ATOM 0 HG2 PRO A 13 -4.251 -24.151 -4.401 1.00 11.21 H new ATOM 0 HG3 PRO A 13 -3.368 -25.322 -3.442 1.00 11.21 H new ATOM 0 HD2 PRO A 13 -4.103 -22.906 -2.421 1.00 70.25 H new ATOM 0 HD3 PRO A 13 -2.636 -23.710 -1.901 1.00 70.25 H new ATOM 173 N LYS A 14 -3.624 -21.338 -5.617 1.00 2.15 N ATOM 174 CA LYS A 14 -4.356 -20.606 -6.643 1.00 72.01 C ATOM 175 C LYS A 14 -4.059 -19.112 -6.563 1.00 23.10 C ATOM 176 O LYS A 14 -4.278 -18.374 -7.522 1.00 64.05 O ATOM 177 CB LYS A 14 -5.860 -20.846 -6.495 1.00 33.04 C ATOM 178 CG LYS A 14 -6.226 -22.305 -6.284 1.00 25.20 C ATOM 179 CD LYS A 14 -7.722 -22.530 -6.417 1.00 34.23 C ATOM 180 CE LYS A 14 -8.186 -23.709 -5.574 1.00 42.32 C ATOM 181 NZ LYS A 14 -7.899 -25.011 -6.237 1.00 74.11 N ATOM 0 H LYS A 14 -4.072 -21.341 -4.701 1.00 2.15 H new ATOM 0 HA LYS A 14 -4.030 -20.972 -7.617 1.00 72.01 H new ATOM 0 HB2 LYS A 14 -6.231 -20.262 -5.653 1.00 33.04 H new ATOM 0 HB3 LYS A 14 -6.367 -20.478 -7.387 1.00 33.04 H new ATOM 0 HG2 LYS A 14 -5.698 -22.922 -7.011 1.00 25.20 H new ATOM 0 HG3 LYS A 14 -5.896 -22.624 -5.296 1.00 25.20 H new ATOM 0 HD2 LYS A 14 -8.255 -21.630 -6.110 1.00 34.23 H new ATOM 0 HD3 LYS A 14 -7.973 -22.708 -7.463 1.00 34.23 H new ATOM 0 HE2 LYS A 14 -7.691 -23.679 -4.603 1.00 42.32 H new ATOM 0 HE3 LYS A 14 -9.257 -23.624 -5.389 1.00 42.32 H new ATOM 0 HZ1 LYS A 14 -8.230 -25.789 -5.632 1.00 74.11 H new ATOM 0 HZ2 LYS A 14 -8.392 -25.051 -7.152 1.00 74.11 H new ATOM 0 HZ3 LYS A 14 -6.875 -25.104 -6.391 1.00 74.11 H new ATOM 195 N ASN A 15 -3.557 -18.674 -5.413 1.00 34.03 N ATOM 196 CA ASN A 15 -3.229 -17.268 -5.208 1.00 40.23 C ATOM 197 C ASN A 15 -1.926 -17.121 -4.428 1.00 32.40 C ATOM 198 O ASN A 15 -1.934 -17.006 -3.202 1.00 73.13 O ATOM 199 CB ASN A 15 -4.364 -16.560 -4.465 1.00 61.31 C ATOM 200 CG ASN A 15 -4.271 -15.050 -4.571 1.00 32.44 C ATOM 201 OD1 ASN A 15 -3.518 -14.519 -5.387 1.00 73.11 O ATOM 202 ND2 ASN A 15 -5.038 -14.351 -3.742 1.00 74.33 N ATOM 0 H ASN A 15 -3.368 -19.273 -4.609 1.00 34.03 H new ATOM 0 HA ASN A 15 -3.100 -16.805 -6.186 1.00 40.23 H new ATOM 0 HB2 ASN A 15 -5.321 -16.892 -4.868 1.00 61.31 H new ATOM 0 HB3 ASN A 15 -4.343 -16.850 -3.414 1.00 61.31 H new ATOM 0 HD21 ASN A 15 -5.018 -13.331 -3.766 1.00 74.33 H new ATOM 0 HD22 ASN A 15 -5.647 -14.834 -3.082 1.00 74.33 H new ATOM 209 N ASP A 16 -0.809 -17.126 -5.147 1.00 20.24 N ATOM 210 CA ASP A 16 0.502 -16.992 -4.523 1.00 22.25 C ATOM 211 C ASP A 16 0.784 -15.538 -4.158 1.00 24.02 C ATOM 212 O ASP A 16 0.971 -14.692 -5.033 1.00 24.14 O ATOM 213 CB ASP A 16 1.592 -17.517 -5.458 1.00 42.14 C ATOM 214 CG ASP A 16 2.981 -17.090 -5.026 1.00 23.51 C ATOM 215 OD1 ASP A 16 3.333 -15.911 -5.238 1.00 1.12 O ATOM 216 OD2 ASP A 16 3.716 -17.936 -4.475 1.00 23.03 O ATOM 0 H ASP A 16 -0.785 -17.221 -6.162 1.00 20.24 H new ATOM 0 HA ASP A 16 0.504 -17.584 -3.608 1.00 22.25 H new ATOM 0 HB2 ASP A 16 1.544 -18.605 -5.492 1.00 42.14 H new ATOM 0 HB3 ASP A 16 1.403 -17.158 -6.470 1.00 42.14 H new ATOM 221 N LYS A 17 0.813 -15.254 -2.860 1.00 54.42 N ATOM 222 CA LYS A 17 1.072 -13.902 -2.378 1.00 72.21 C ATOM 223 C LYS A 17 2.422 -13.826 -1.673 1.00 44.33 C ATOM 224 O LYS A 17 2.619 -13.009 -0.773 1.00 30.11 O ATOM 225 CB LYS A 17 -0.039 -13.457 -1.424 1.00 70.02 C ATOM 226 CG LYS A 17 -1.300 -12.993 -2.133 1.00 63.11 C ATOM 227 CD LYS A 17 -1.208 -11.530 -2.534 1.00 22.30 C ATOM 228 CE LYS A 17 -1.447 -10.611 -1.346 1.00 41.22 C ATOM 229 NZ LYS A 17 -1.127 -9.193 -1.669 1.00 41.23 N ATOM 0 H LYS A 17 0.660 -15.942 -2.123 1.00 54.42 H new ATOM 0 HA LYS A 17 1.093 -13.234 -3.239 1.00 72.21 H new ATOM 0 HB2 LYS A 17 -0.289 -14.284 -0.760 1.00 70.02 H new ATOM 0 HB3 LYS A 17 0.334 -12.647 -0.797 1.00 70.02 H new ATOM 0 HG2 LYS A 17 -1.466 -13.605 -3.020 1.00 63.11 H new ATOM 0 HG3 LYS A 17 -2.160 -13.139 -1.480 1.00 63.11 H new ATOM 0 HD2 LYS A 17 -0.224 -11.329 -2.959 1.00 22.30 H new ATOM 0 HD3 LYS A 17 -1.941 -11.318 -3.313 1.00 22.30 H new ATOM 0 HE2 LYS A 17 -2.488 -10.686 -1.032 1.00 41.22 H new ATOM 0 HE3 LYS A 17 -0.836 -10.939 -0.505 1.00 41.22 H new ATOM 0 HZ1 LYS A 17 -1.683 -8.563 -1.056 1.00 41.23 H new ATOM 0 HZ2 LYS A 17 -0.113 -9.022 -1.513 1.00 41.23 H new ATOM 0 HZ3 LYS A 17 -1.362 -9.002 -2.664 1.00 41.23 H new ATOM 243 N CYS A 18 3.351 -14.680 -2.089 1.00 61.25 N ATOM 244 CA CYS A 18 4.684 -14.709 -1.499 1.00 72.13 C ATOM 245 C CYS A 18 5.539 -13.563 -2.032 1.00 25.32 C ATOM 246 O CYS A 18 5.178 -12.905 -3.007 1.00 55.43 O ATOM 247 CB CYS A 18 5.365 -16.047 -1.792 1.00 20.50 C ATOM 248 SG CYS A 18 4.316 -17.502 -1.469 1.00 44.32 S ATOM 0 H CYS A 18 3.205 -15.362 -2.833 1.00 61.25 H new ATOM 0 HA CYS A 18 4.580 -14.591 -0.420 1.00 72.13 H new ATOM 0 HB2 CYS A 18 5.678 -16.062 -2.836 1.00 20.50 H new ATOM 0 HB3 CYS A 18 6.269 -16.123 -1.187 1.00 20.50 H new ATOM 253 N CYS A 19 6.676 -13.331 -1.384 1.00 65.15 N ATOM 254 CA CYS A 19 7.585 -12.266 -1.791 1.00 54.41 C ATOM 255 C CYS A 19 8.949 -12.831 -2.174 1.00 43.34 C ATOM 256 O CYS A 19 9.141 -14.046 -2.212 1.00 1.31 O ATOM 257 CB CYS A 19 7.742 -11.243 -0.664 1.00 22.32 C ATOM 258 SG CYS A 19 7.528 -9.513 -1.193 1.00 60.54 S ATOM 0 H CYS A 19 6.990 -13.867 -0.575 1.00 65.15 H new ATOM 0 HA CYS A 19 7.158 -11.772 -2.664 1.00 54.41 H new ATOM 0 HB2 CYS A 19 7.015 -11.465 0.117 1.00 22.32 H new ATOM 0 HB3 CYS A 19 8.731 -11.356 -0.221 1.00 22.32 H new ATOM 263 N ALA A 20 9.894 -11.940 -2.458 1.00 70.01 N ATOM 264 CA ALA A 20 11.241 -12.349 -2.836 1.00 71.11 C ATOM 265 C ALA A 20 11.209 -13.343 -3.992 1.00 73.01 C ATOM 266 O ALA A 20 12.099 -14.181 -4.127 1.00 42.05 O ATOM 267 CB ALA A 20 11.965 -12.950 -1.641 1.00 31.55 C ATOM 0 H ALA A 20 9.751 -10.930 -2.433 1.00 70.01 H new ATOM 0 HA ALA A 20 11.783 -11.463 -3.168 1.00 71.11 H new ATOM 0 HB1 ALA A 20 12.970 -13.251 -1.938 1.00 31.55 H new ATOM 0 HB2 ALA A 20 12.029 -12.209 -0.844 1.00 31.55 H new ATOM 0 HB3 ALA A 20 11.416 -13.821 -1.283 1.00 31.55 H new ATOM 273 N ASN A 21 10.176 -13.244 -4.823 1.00 41.10 N ATOM 274 CA ASN A 21 10.028 -14.136 -5.967 1.00 55.23 C ATOM 275 C ASN A 21 9.886 -15.585 -5.513 1.00 21.34 C ATOM 276 O ASN A 21 10.295 -16.511 -6.215 1.00 42.31 O ATOM 277 CB ASN A 21 11.228 -13.999 -6.906 1.00 52.13 C ATOM 278 CG ASN A 21 11.722 -12.569 -7.008 1.00 1.10 C ATOM 279 OD1 ASN A 21 10.987 -11.674 -7.426 1.00 72.40 O ATOM 280 ND2 ASN A 21 12.974 -12.347 -6.625 1.00 62.32 N ATOM 0 H ASN A 21 9.430 -12.555 -4.725 1.00 41.10 H new ATOM 0 HA ASN A 21 9.122 -13.852 -6.502 1.00 55.23 H new ATOM 0 HB2 ASN A 21 12.038 -14.636 -6.551 1.00 52.13 H new ATOM 0 HB3 ASN A 21 10.952 -14.357 -7.898 1.00 52.13 H new ATOM 0 HD21 ASN A 21 13.362 -11.405 -6.671 1.00 62.32 H new ATOM 0 HD22 ASN A 21 13.548 -13.119 -6.285 1.00 62.32 H new ATOM 287 N LEU A 22 9.304 -15.775 -4.334 1.00 30.42 N ATOM 288 CA LEU A 22 9.107 -17.112 -3.784 1.00 62.54 C ATOM 289 C LEU A 22 8.068 -17.885 -4.591 1.00 24.11 C ATOM 290 O LEU A 22 7.520 -17.375 -5.568 1.00 3.31 O ATOM 291 CB LEU A 22 8.671 -17.025 -2.321 1.00 3.22 C ATOM 292 CG LEU A 22 9.777 -16.727 -1.308 1.00 23.23 C ATOM 293 CD1 LEU A 22 9.209 -16.010 -0.093 1.00 5.31 C ATOM 294 CD2 LEU A 22 10.479 -18.012 -0.891 1.00 52.32 C ATOM 0 H LEU A 22 8.960 -15.020 -3.740 1.00 30.42 H new ATOM 0 HA LEU A 22 10.056 -17.645 -3.842 1.00 62.54 H new ATOM 0 HB2 LEU A 22 7.909 -16.250 -2.235 1.00 3.22 H new ATOM 0 HB3 LEU A 22 8.199 -17.968 -2.047 1.00 3.22 H new ATOM 0 HG LEU A 22 10.510 -16.073 -1.781 1.00 23.23 H new ATOM 0 HD11 LEU A 22 10.011 -15.806 0.617 1.00 5.31 H new ATOM 0 HD12 LEU A 22 8.753 -15.070 -0.405 1.00 5.31 H new ATOM 0 HD13 LEU A 22 8.456 -16.639 0.381 1.00 5.31 H new ATOM 0 HD21 LEU A 22 11.263 -17.781 -0.170 1.00 52.32 H new ATOM 0 HD22 LEU A 22 9.757 -18.690 -0.437 1.00 52.32 H new ATOM 0 HD23 LEU A 22 10.921 -18.486 -1.767 1.00 52.32 H new ATOM 306 N VAL A 23 7.801 -19.119 -4.174 1.00 14.41 N ATOM 307 CA VAL A 23 6.825 -19.961 -4.855 1.00 52.11 C ATOM 308 C VAL A 23 5.899 -20.647 -3.857 1.00 23.41 C ATOM 309 O VAL A 23 6.324 -21.044 -2.771 1.00 53.01 O ATOM 310 CB VAL A 23 7.515 -21.033 -5.720 1.00 10.34 C ATOM 311 CG1 VAL A 23 8.446 -21.886 -4.871 1.00 13.50 C ATOM 312 CG2 VAL A 23 6.480 -21.897 -6.423 1.00 74.11 C ATOM 0 H VAL A 23 8.247 -19.557 -3.368 1.00 14.41 H new ATOM 0 HA VAL A 23 6.238 -19.307 -5.500 1.00 52.11 H new ATOM 0 HB VAL A 23 8.113 -20.532 -6.481 1.00 10.34 H new ATOM 0 HG11 VAL A 23 8.924 -22.638 -5.499 1.00 13.50 H new ATOM 0 HG12 VAL A 23 9.209 -21.252 -4.419 1.00 13.50 H new ATOM 0 HG13 VAL A 23 7.873 -22.380 -4.087 1.00 13.50 H new ATOM 0 HG21 VAL A 23 6.985 -22.649 -7.030 1.00 74.11 H new ATOM 0 HG22 VAL A 23 5.853 -22.391 -5.680 1.00 74.11 H new ATOM 0 HG23 VAL A 23 5.859 -21.271 -7.064 1.00 74.11 H new ATOM 322 N CYS A 24 4.632 -20.785 -4.232 1.00 30.34 N ATOM 323 CA CYS A 24 3.644 -21.424 -3.370 1.00 65.11 C ATOM 324 C CYS A 24 3.465 -22.893 -3.744 1.00 51.42 C ATOM 325 O CYS A 24 2.715 -23.223 -4.663 1.00 0.41 O ATOM 326 CB CYS A 24 2.304 -20.694 -3.467 1.00 75.04 C ATOM 327 SG CYS A 24 1.194 -20.985 -2.052 1.00 41.12 S ATOM 0 H CYS A 24 4.265 -20.463 -5.127 1.00 30.34 H new ATOM 0 HA CYS A 24 4.005 -21.370 -2.343 1.00 65.11 H new ATOM 0 HB2 CYS A 24 2.491 -19.624 -3.554 1.00 75.04 H new ATOM 0 HB3 CYS A 24 1.799 -21.005 -4.381 1.00 75.04 H new ATOM 332 N SER A 25 4.158 -23.770 -3.026 1.00 4.35 N ATOM 333 CA SER A 25 4.079 -25.203 -3.284 1.00 13.33 C ATOM 334 C SER A 25 2.650 -25.707 -3.109 1.00 74.52 C ATOM 335 O SER A 25 2.062 -25.582 -2.035 1.00 21.02 O ATOM 336 CB SER A 25 5.019 -25.964 -2.347 1.00 74.11 C ATOM 337 OG SER A 25 4.739 -27.353 -2.362 1.00 73.25 O ATOM 0 H SER A 25 4.781 -23.513 -2.260 1.00 4.35 H new ATOM 0 HA SER A 25 4.385 -25.380 -4.315 1.00 13.33 H new ATOM 0 HB2 SER A 25 6.053 -25.795 -2.648 1.00 74.11 H new ATOM 0 HB3 SER A 25 4.916 -25.580 -1.332 1.00 74.11 H new ATOM 0 HG SER A 25 5.448 -27.835 -1.886 1.00 73.25 H new ATOM 343 N SER A 26 2.096 -26.279 -4.174 1.00 43.11 N ATOM 344 CA SER A 26 0.735 -26.800 -4.141 1.00 53.23 C ATOM 345 C SER A 26 0.643 -28.024 -3.236 1.00 22.31 C ATOM 346 O SER A 26 -0.449 -28.488 -2.907 1.00 1.13 O ATOM 347 CB SER A 26 0.270 -27.160 -5.554 1.00 14.34 C ATOM 348 OG SER A 26 0.272 -28.563 -5.749 1.00 60.31 O ATOM 0 H SER A 26 2.569 -26.393 -5.070 1.00 43.11 H new ATOM 0 HA SER A 26 0.085 -26.023 -3.739 1.00 53.23 H new ATOM 0 HB2 SER A 26 -0.733 -26.768 -5.721 1.00 14.34 H new ATOM 0 HB3 SER A 26 0.923 -26.687 -6.287 1.00 14.34 H new ATOM 0 HG SER A 26 -0.030 -28.767 -6.658 1.00 60.31 H new ATOM 354 N LYS A 27 1.799 -28.544 -2.836 1.00 73.43 N ATOM 355 CA LYS A 27 1.852 -29.714 -1.968 1.00 22.41 C ATOM 356 C LYS A 27 1.936 -29.301 -0.502 1.00 41.31 C ATOM 357 O LYS A 27 1.019 -29.556 0.279 1.00 21.50 O ATOM 358 CB LYS A 27 3.053 -30.590 -2.331 1.00 63.32 C ATOM 359 CG LYS A 27 2.784 -31.546 -3.481 1.00 11.50 C ATOM 360 CD LYS A 27 1.752 -32.595 -3.104 1.00 21.32 C ATOM 361 CE LYS A 27 1.870 -33.833 -3.980 1.00 23.01 C ATOM 362 NZ LYS A 27 0.564 -34.531 -4.132 1.00 71.43 N ATOM 0 H LYS A 27 2.712 -28.173 -3.100 1.00 73.43 H new ATOM 0 HA LYS A 27 0.935 -30.285 -2.114 1.00 22.41 H new ATOM 0 HB2 LYS A 27 3.894 -29.948 -2.592 1.00 63.32 H new ATOM 0 HB3 LYS A 27 3.351 -31.165 -1.454 1.00 63.32 H new ATOM 0 HG2 LYS A 27 2.434 -30.985 -4.347 1.00 11.50 H new ATOM 0 HG3 LYS A 27 3.713 -32.036 -3.773 1.00 11.50 H new ATOM 0 HD2 LYS A 27 1.881 -32.874 -2.058 1.00 21.32 H new ATOM 0 HD3 LYS A 27 0.751 -32.174 -3.200 1.00 21.32 H new ATOM 0 HE2 LYS A 27 2.246 -33.548 -4.963 1.00 23.01 H new ATOM 0 HE3 LYS A 27 2.599 -34.517 -3.546 1.00 23.01 H new ATOM 0 HZ1 LYS A 27 0.686 -35.369 -4.736 1.00 71.43 H new ATOM 0 HZ2 LYS A 27 0.217 -34.826 -3.197 1.00 71.43 H new ATOM 0 HZ3 LYS A 27 -0.125 -33.887 -4.570 1.00 71.43 H new ATOM 376 N HIS A 28 3.041 -28.659 -0.135 1.00 51.13 N ATOM 377 CA HIS A 28 3.243 -28.208 1.237 1.00 41.21 C ATOM 378 C HIS A 28 2.361 -27.003 1.548 1.00 13.42 C ATOM 379 O HIS A 28 2.127 -26.675 2.712 1.00 75.03 O ATOM 380 CB HIS A 28 4.712 -27.852 1.468 1.00 21.21 C ATOM 381 CG HIS A 28 5.465 -28.890 2.243 1.00 53.22 C ATOM 382 ND1 HIS A 28 6.735 -29.307 1.905 1.00 1.44 N ATOM 383 CD2 HIS A 28 5.120 -29.594 3.346 1.00 73.53 C ATOM 384 CE1 HIS A 28 7.138 -30.224 2.766 1.00 22.02 C ATOM 385 NE2 HIS A 28 6.176 -30.417 3.651 1.00 45.42 N ATOM 0 H HIS A 28 3.810 -28.440 -0.769 1.00 51.13 H new ATOM 0 HA HIS A 28 2.965 -29.022 1.906 1.00 41.21 H new ATOM 0 HB2 HIS A 28 5.198 -27.707 0.503 1.00 21.21 H new ATOM 0 HB3 HIS A 28 4.768 -26.902 1.999 1.00 21.21 H new ATOM 0 HD2 HIS A 28 4.187 -29.522 3.886 1.00 73.53 H new ATOM 0 HE1 HIS A 28 8.092 -30.730 2.749 1.00 22.02 H new ATOM 0 HE2 HIS A 28 6.212 -31.071 4.433 1.00 45.42 H new ATOM 393 N LYS A 29 1.874 -26.346 0.501 1.00 41.41 N ATOM 394 CA LYS A 29 1.017 -25.177 0.661 1.00 1.10 C ATOM 395 C LYS A 29 1.722 -24.092 1.469 1.00 51.11 C ATOM 396 O LYS A 29 1.245 -23.686 2.529 1.00 64.21 O ATOM 397 CB LYS A 29 -0.293 -25.570 1.348 1.00 3.43 C ATOM 398 CG LYS A 29 -0.947 -26.803 0.751 1.00 61.31 C ATOM 399 CD LYS A 29 -2.385 -26.953 1.217 1.00 55.41 C ATOM 400 CE LYS A 29 -2.885 -28.378 1.035 1.00 53.52 C ATOM 401 NZ LYS A 29 -4.362 -28.473 1.199 1.00 13.52 N ATOM 0 H LYS A 29 2.058 -26.603 -0.469 1.00 41.41 H new ATOM 0 HA LYS A 29 0.796 -24.781 -0.330 1.00 1.10 H new ATOM 0 HB2 LYS A 29 -0.099 -25.748 2.406 1.00 3.43 H new ATOM 0 HB3 LYS A 29 -0.990 -24.734 1.288 1.00 3.43 H new ATOM 0 HG2 LYS A 29 -0.921 -26.739 -0.337 1.00 61.31 H new ATOM 0 HG3 LYS A 29 -0.378 -27.690 1.032 1.00 61.31 H new ATOM 0 HD2 LYS A 29 -2.459 -26.672 2.267 1.00 55.41 H new ATOM 0 HD3 LYS A 29 -3.023 -26.268 0.658 1.00 55.41 H new ATOM 0 HE2 LYS A 29 -2.606 -28.737 0.044 1.00 53.52 H new ATOM 0 HE3 LYS A 29 -2.397 -29.030 1.760 1.00 53.52 H new ATOM 0 HZ1 LYS A 29 -4.663 -29.460 1.067 1.00 13.52 H new ATOM 0 HZ2 LYS A 29 -4.627 -28.154 2.153 1.00 13.52 H new ATOM 0 HZ3 LYS A 29 -4.829 -27.871 0.491 1.00 13.52 H new ATOM 415 N TRP A 30 2.857 -23.626 0.961 1.00 51.13 N ATOM 416 CA TRP A 30 3.626 -22.586 1.635 1.00 22.32 C ATOM 417 C TRP A 30 4.576 -21.895 0.663 1.00 13.43 C ATOM 418 O TRP A 30 4.770 -22.353 -0.463 1.00 32.21 O ATOM 419 CB TRP A 30 4.416 -23.183 2.801 1.00 33.04 C ATOM 420 CG TRP A 30 5.448 -24.181 2.371 1.00 11.11 C ATOM 421 CD1 TRP A 30 5.634 -24.676 1.112 1.00 21.41 C ATOM 422 CD2 TRP A 30 6.434 -24.805 3.200 1.00 20.51 C ATOM 423 NE1 TRP A 30 6.677 -25.572 1.109 1.00 54.54 N ATOM 424 CE2 TRP A 30 7.185 -25.668 2.377 1.00 13.31 C ATOM 425 CE3 TRP A 30 6.757 -24.719 4.557 1.00 44.12 C ATOM 426 CZ2 TRP A 30 8.236 -26.437 2.868 1.00 30.14 C ATOM 427 CZ3 TRP A 30 7.801 -25.483 5.043 1.00 71.30 C ATOM 428 CH2 TRP A 30 8.531 -26.333 4.201 1.00 54.34 C ATOM 0 H TRP A 30 3.265 -23.952 0.085 1.00 51.13 H new ATOM 0 HA TRP A 30 2.927 -21.844 2.020 1.00 22.32 H new ATOM 0 HB2 TRP A 30 4.906 -22.378 3.349 1.00 33.04 H new ATOM 0 HB3 TRP A 30 3.723 -23.663 3.492 1.00 33.04 H new ATOM 0 HD1 TRP A 30 5.048 -24.404 0.246 1.00 21.41 H new ATOM 0 HE1 TRP A 30 7.017 -26.083 0.294 1.00 54.54 H new ATOM 0 HE3 TRP A 30 6.201 -24.067 5.214 1.00 44.12 H new ATOM 0 HZ2 TRP A 30 8.799 -27.093 2.220 1.00 30.14 H new ATOM 0 HZ3 TRP A 30 8.059 -25.424 6.090 1.00 71.30 H new ATOM 0 HH2 TRP A 30 9.342 -26.917 4.611 1.00 54.34 H new ATOM 439 N CYS A 31 5.166 -20.789 1.105 1.00 13.01 N ATOM 440 CA CYS A 31 6.095 -20.033 0.274 1.00 24.53 C ATOM 441 C CYS A 31 7.505 -20.610 0.373 1.00 72.14 C ATOM 442 O CYS A 31 8.302 -20.192 1.212 1.00 1.43 O ATOM 443 CB CYS A 31 6.104 -18.562 0.692 1.00 45.54 C ATOM 444 SG CYS A 31 4.487 -17.736 0.542 1.00 22.45 S ATOM 0 H CYS A 31 5.017 -20.397 2.035 1.00 13.01 H new ATOM 0 HA CYS A 31 5.762 -20.108 -0.761 1.00 24.53 H new ATOM 0 HB2 CYS A 31 6.441 -18.491 1.726 1.00 45.54 H new ATOM 0 HB3 CYS A 31 6.831 -18.027 0.082 1.00 45.54 H new ATOM 449 N LYS A 32 7.805 -21.573 -0.492 1.00 25.42 N ATOM 450 CA LYS A 32 9.118 -22.208 -0.505 1.00 43.32 C ATOM 451 C LYS A 32 9.967 -21.677 -1.656 1.00 70.54 C ATOM 452 O LYS A 32 9.529 -20.816 -2.418 1.00 71.41 O ATOM 453 CB LYS A 32 8.972 -23.727 -0.622 1.00 44.55 C ATOM 454 CG LYS A 32 8.253 -24.173 -1.883 1.00 51.15 C ATOM 455 CD LYS A 32 9.218 -24.767 -2.895 1.00 60.44 C ATOM 456 CE LYS A 32 9.782 -26.096 -2.414 1.00 54.35 C ATOM 457 NZ LYS A 32 8.705 -27.086 -2.135 1.00 64.45 N ATOM 0 H LYS A 32 7.157 -21.931 -1.193 1.00 25.42 H new ATOM 0 HA LYS A 32 9.619 -21.969 0.433 1.00 43.32 H new ATOM 0 HB2 LYS A 32 9.962 -24.182 -0.598 1.00 44.55 H new ATOM 0 HB3 LYS A 32 8.429 -24.100 0.247 1.00 44.55 H new ATOM 0 HG2 LYS A 32 7.493 -24.911 -1.628 1.00 51.15 H new ATOM 0 HG3 LYS A 32 7.736 -23.323 -2.328 1.00 51.15 H new ATOM 0 HD2 LYS A 32 8.706 -24.911 -3.847 1.00 60.44 H new ATOM 0 HD3 LYS A 32 10.035 -24.068 -3.075 1.00 60.44 H new ATOM 0 HE2 LYS A 32 10.459 -26.498 -3.168 1.00 54.35 H new ATOM 0 HE3 LYS A 32 10.371 -25.935 -1.511 1.00 54.35 H new ATOM 0 HZ1 LYS A 32 9.114 -28.041 -2.092 1.00 64.45 H new ATOM 0 HZ2 LYS A 32 8.254 -26.861 -1.225 1.00 64.45 H new ATOM 0 HZ3 LYS A 32 7.994 -27.048 -2.893 1.00 64.45 H new ATOM 471 N GLY A 33 11.184 -22.199 -1.778 1.00 30.21 N ATOM 472 CA GLY A 33 12.074 -21.767 -2.840 1.00 12.12 C ATOM 473 C GLY A 33 11.968 -22.639 -4.075 1.00 45.33 C ATOM 474 O GLY A 33 12.185 -23.849 -4.011 1.00 43.01 O ATOM 0 H GLY A 33 11.569 -22.913 -1.160 1.00 30.21 H new ATOM 0 HA2 GLY A 33 11.843 -20.736 -3.106 1.00 12.12 H new ATOM 0 HA3 GLY A 33 13.102 -21.780 -2.477 1.00 12.12 H new ATOM 478 N LYS A 34 11.633 -22.024 -5.204 1.00 52.14 N ATOM 479 CA LYS A 34 11.498 -22.751 -6.461 1.00 41.11 C ATOM 480 C LYS A 34 12.840 -23.325 -6.904 1.00 42.54 C ATOM 481 O LYS A 34 13.698 -22.602 -7.414 1.00 73.14 O ATOM 482 CB LYS A 34 10.940 -21.830 -7.549 1.00 65.52 C ATOM 483 CG LYS A 34 10.360 -22.576 -8.738 1.00 60.52 C ATOM 484 CD LYS A 34 10.334 -21.707 -9.984 1.00 3.42 C ATOM 485 CE LYS A 34 9.338 -20.565 -9.846 1.00 61.52 C ATOM 486 NZ LYS A 34 9.655 -19.439 -10.767 1.00 11.43 N ATOM 0 H LYS A 34 11.450 -21.023 -5.274 1.00 52.14 H new ATOM 0 HA LYS A 34 10.805 -23.577 -6.302 1.00 41.11 H new ATOM 0 HB2 LYS A 34 10.166 -21.197 -7.115 1.00 65.52 H new ATOM 0 HB3 LYS A 34 11.734 -21.170 -7.897 1.00 65.52 H new ATOM 0 HG2 LYS A 34 10.951 -23.471 -8.930 1.00 60.52 H new ATOM 0 HG3 LYS A 34 9.348 -22.906 -8.503 1.00 60.52 H new ATOM 0 HD2 LYS A 34 11.329 -21.303 -10.168 1.00 3.42 H new ATOM 0 HD3 LYS A 34 10.073 -22.317 -10.849 1.00 3.42 H new ATOM 0 HE2 LYS A 34 8.333 -20.932 -10.054 1.00 61.52 H new ATOM 0 HE3 LYS A 34 9.339 -20.204 -8.817 1.00 61.52 H new ATOM 0 HZ1 LYS A 34 8.954 -18.681 -10.643 1.00 11.43 H new ATOM 0 HZ2 LYS A 34 10.604 -19.071 -10.552 1.00 11.43 H new ATOM 0 HZ3 LYS A 34 9.629 -19.777 -11.750 1.00 11.43 H new ATOM 500 N LEU A 35 13.016 -24.627 -6.708 1.00 55.42 N ATOM 501 CA LEU A 35 14.253 -25.298 -7.089 1.00 43.15 C ATOM 502 C LEU A 35 14.483 -25.203 -8.594 1.00 72.54 C ATOM 503 O LEU A 35 13.547 -24.984 -9.363 1.00 34.12 O ATOM 504 CB LEU A 35 14.214 -26.765 -6.659 1.00 62.31 C ATOM 505 CG LEU A 35 13.435 -27.712 -7.572 1.00 74.04 C ATOM 506 CD1 LEU A 35 13.635 -29.156 -7.140 1.00 34.23 C ATOM 507 CD2 LEU A 35 11.956 -27.354 -7.574 1.00 54.22 C ATOM 0 H LEU A 35 12.317 -25.239 -6.287 1.00 55.42 H new ATOM 0 HA LEU A 35 15.079 -24.799 -6.582 1.00 43.15 H new ATOM 0 HB2 LEU A 35 15.239 -27.128 -6.583 1.00 62.31 H new ATOM 0 HB3 LEU A 35 13.782 -26.818 -5.660 1.00 62.31 H new ATOM 0 HG LEU A 35 13.817 -27.602 -8.587 1.00 74.04 H new ATOM 0 HD11 LEU A 35 13.073 -29.815 -7.802 1.00 34.23 H new ATOM 0 HD12 LEU A 35 14.694 -29.408 -7.191 1.00 34.23 H new ATOM 0 HD13 LEU A 35 13.281 -29.282 -6.117 1.00 34.23 H new ATOM 0 HD21 LEU A 35 11.417 -28.038 -8.229 1.00 54.22 H new ATOM 0 HD22 LEU A 35 11.561 -27.434 -6.561 1.00 54.22 H new ATOM 0 HD23 LEU A 35 11.829 -26.333 -7.933 1.00 54.22 H new TER 519 LEU A 35