USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 12 THR OG1 : rot -170:sc= -2.33! USER MOD Single : A 13 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.49! K(o=-2.5!,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.484) USER MOD Single : A 24 ASN : amide:sc= -0.94 K(o=-0.94,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.052 (180deg=-1.1!) USER MOD Single : A 28 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.52) USER MOD Single : A 33 THR OG1 : rot -95:sc= -2.06! USER MOD Single : A 35 ASN : amide:sc= -0.114 K(o=-0.11,f=1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 33:sc= -6.63! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.09) USER MOD Single : A 45 THR OG1 : rot -127:sc= -2.81! USER MOD Single : A 56 TYR OH : rot 172:sc= -3.56! USER MOD Single : A 58 TYR OH : rot -1:sc= -1.02 USER MOD Single : A 59 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.3!) USER MOD Single : A 61 TYR OH : rot 155:sc= -4.34! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -2.09 (180deg=-2.42) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.107 9.170 -5.558 1.00 0.00 N ATOM 11 CA GLU A 2 -7.999 10.126 -5.261 1.00 0.00 C ATOM 12 C GLU A 2 -6.717 9.365 -4.917 1.00 0.00 C ATOM 13 O GLU A 2 -6.755 8.218 -4.514 1.00 0.00 O ATOM 14 CB GLU A 2 -8.484 10.930 -4.052 1.00 0.00 C ATOM 15 CG GLU A 2 -8.614 10.006 -2.839 1.00 0.00 C ATOM 16 CD GLU A 2 -8.494 10.830 -1.556 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.080 11.898 -1.504 1.00 0.00 O ATOM 18 OE2 GLU A 2 -7.819 10.378 -0.646 1.00 0.00 O ATOM 0 HA GLU A 2 -7.768 10.766 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.784 11.736 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.445 11.394 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.573 9.489 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.838 9.241 -2.866 1.00 0.00 H new ATOM 25 N TRP A 3 -5.579 9.990 -5.069 1.00 0.00 N ATOM 26 CA TRP A 3 -4.304 9.289 -4.745 1.00 0.00 C ATOM 27 C TRP A 3 -3.405 10.171 -3.870 1.00 0.00 C ATOM 28 O TRP A 3 -3.679 11.335 -3.651 1.00 0.00 O ATOM 29 CB TRP A 3 -3.650 8.989 -6.097 1.00 0.00 C ATOM 30 CG TRP A 3 -2.947 10.206 -6.614 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.547 11.377 -6.930 1.00 0.00 C ATOM 32 CD2 TRP A 3 -1.527 10.389 -6.880 1.00 0.00 C ATOM 33 NE1 TRP A 3 -2.585 12.268 -7.373 1.00 0.00 N ATOM 34 CE2 TRP A 3 -1.324 11.705 -7.361 1.00 0.00 C ATOM 35 CE3 TRP A 3 -0.405 9.550 -6.754 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -0.054 12.171 -7.703 1.00 0.00 C ATOM 37 CZ3 TRP A 3 0.875 10.016 -7.096 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.049 11.324 -7.570 1.00 0.00 C ATOM 0 H TRP A 3 -5.478 10.949 -5.401 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.474 8.375 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.941 8.168 -5.992 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.407 8.667 -6.812 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -4.604 11.583 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.783 13.223 -7.672 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.529 8.540 -6.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 0.075 13.179 -8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.730 9.364 -6.993 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.036 11.677 -7.832 1.00 0.00 H new ATOM 49 N GLU A 4 -2.340 9.616 -3.360 1.00 0.00 N ATOM 50 CA GLU A 4 -1.422 10.401 -2.486 1.00 0.00 C ATOM 51 C GLU A 4 -0.276 9.503 -1.999 1.00 0.00 C ATOM 52 O GLU A 4 -0.373 8.294 -2.022 1.00 0.00 O ATOM 53 CB GLU A 4 -2.308 10.858 -1.321 1.00 0.00 C ATOM 54 CG GLU A 4 -1.456 11.135 -0.079 1.00 0.00 C ATOM 55 CD GLU A 4 -0.601 12.382 -0.311 1.00 0.00 C ATOM 56 OE1 GLU A 4 0.004 12.473 -1.367 1.00 0.00 O ATOM 57 OE2 GLU A 4 -0.566 13.224 0.571 1.00 0.00 O ATOM 0 H GLU A 4 -2.064 8.646 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.958 11.245 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.855 11.758 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.050 10.091 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.098 11.278 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.817 10.278 0.135 1.00 0.00 H new ATOM 64 N ILE A 5 0.810 10.084 -1.560 1.00 0.00 N ATOM 65 CA ILE A 5 1.959 9.256 -1.077 1.00 0.00 C ATOM 66 C ILE A 5 2.230 9.530 0.404 1.00 0.00 C ATOM 67 O ILE A 5 1.645 10.409 1.007 1.00 0.00 O ATOM 68 CB ILE A 5 3.165 9.664 -1.948 1.00 0.00 C ATOM 69 CG1 ILE A 5 4.482 9.454 -1.187 1.00 0.00 C ATOM 70 CG2 ILE A 5 3.060 11.136 -2.356 1.00 0.00 C ATOM 71 CD1 ILE A 5 5.644 9.984 -2.029 1.00 0.00 C ATOM 0 H ILE A 5 0.953 11.093 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 5 1.754 8.189 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 5 3.157 9.036 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.447 9.971 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.627 8.395 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.919 11.406 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.144 11.291 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.042 11.761 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.580 9.836 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.681 9.447 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.499 11.047 -2.220 1.00 0.00 H new ATOM 83 N ILE A 6 3.119 8.777 0.990 1.00 0.00 N ATOM 84 CA ILE A 6 3.440 8.983 2.436 1.00 0.00 C ATOM 85 C ILE A 6 4.783 9.707 2.584 1.00 0.00 C ATOM 86 O ILE A 6 5.254 10.348 1.665 1.00 0.00 O ATOM 87 CB ILE A 6 3.512 7.579 3.033 1.00 0.00 C ATOM 88 CG1 ILE A 6 4.744 6.855 2.489 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.253 6.800 2.645 1.00 0.00 C ATOM 90 CD1 ILE A 6 5.747 6.620 3.622 1.00 0.00 C ATOM 0 H ILE A 6 3.638 8.028 0.533 1.00 0.00 H new ATOM 0 HA ILE A 6 2.695 9.598 2.940 1.00 0.00 H new ATOM 0 HB ILE A 6 3.581 7.648 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.452 5.903 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.206 7.447 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.301 5.797 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.373 7.316 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.188 6.732 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.624 6.104 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.049 7.578 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.283 6.011 4.398 1.00 0.00 H new ATOM 102 N ASP A 7 5.401 9.625 3.734 1.00 0.00 N ATOM 103 CA ASP A 7 6.705 10.328 3.924 1.00 0.00 C ATOM 104 C ASP A 7 7.759 9.406 4.555 1.00 0.00 C ATOM 105 O ASP A 7 8.310 9.710 5.593 1.00 0.00 O ATOM 106 CB ASP A 7 6.388 11.494 4.861 1.00 0.00 C ATOM 107 CG ASP A 7 5.586 10.984 6.060 1.00 0.00 C ATOM 108 OD1 ASP A 7 5.725 9.816 6.388 1.00 0.00 O ATOM 109 OD2 ASP A 7 4.846 11.768 6.630 1.00 0.00 O ATOM 0 H ASP A 7 5.062 9.106 4.544 1.00 0.00 H new ATOM 0 HA ASP A 7 7.124 10.655 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.312 11.962 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.821 12.258 4.329 1.00 0.00 H new ATOM 114 N ILE A 8 8.039 8.285 3.937 1.00 0.00 N ATOM 115 CA ILE A 8 9.060 7.344 4.488 1.00 0.00 C ATOM 116 C ILE A 8 8.913 7.247 6.001 1.00 0.00 C ATOM 117 O ILE A 8 9.871 7.303 6.745 1.00 0.00 O ATOM 118 CB ILE A 8 10.422 7.930 4.098 1.00 0.00 C ATOM 119 CG1 ILE A 8 11.519 6.921 4.442 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.677 9.232 4.859 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.771 7.227 3.617 1.00 0.00 C ATOM 0 H ILE A 8 7.600 7.980 3.068 1.00 0.00 H new ATOM 0 HA ILE A 8 8.945 6.334 4.094 1.00 0.00 H new ATOM 0 HB ILE A 8 10.427 8.139 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.751 6.969 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.174 5.908 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.648 9.637 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.897 9.954 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.669 9.035 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.553 6.508 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.533 7.157 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.120 8.234 3.845 1.00 0.00 H new ATOM 133 N GLY A 9 7.707 7.096 6.449 1.00 0.00 N ATOM 134 CA GLY A 9 7.457 6.989 7.917 1.00 0.00 C ATOM 135 C GLY A 9 6.502 5.825 8.217 1.00 0.00 C ATOM 136 O GLY A 9 6.863 4.890 8.906 1.00 0.00 O ATOM 0 H GLY A 9 6.874 7.041 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.400 6.838 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.031 7.921 8.288 1.00 0.00 H new ATOM 140 N PRO A 10 5.305 5.929 7.705 1.00 0.00 N ATOM 141 CA PRO A 10 4.282 4.890 7.939 1.00 0.00 C ATOM 142 C PRO A 10 4.435 3.733 6.946 1.00 0.00 C ATOM 143 O PRO A 10 4.795 2.634 7.320 1.00 0.00 O ATOM 144 CB PRO A 10 2.970 5.635 7.721 1.00 0.00 C ATOM 145 CG PRO A 10 3.301 6.793 6.824 1.00 0.00 C ATOM 146 CD PRO A 10 4.798 7.012 6.866 1.00 0.00 C ATOM 0 HA PRO A 10 4.353 4.435 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.224 4.986 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.554 5.980 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.975 6.589 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.776 7.690 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.232 6.976 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.044 7.987 7.286 1.00 0.00 H new ATOM 154 N PHE A 11 4.163 3.962 5.688 1.00 0.00 N ATOM 155 CA PHE A 11 4.299 2.856 4.695 1.00 0.00 C ATOM 156 C PHE A 11 5.603 2.109 4.945 1.00 0.00 C ATOM 157 O PHE A 11 5.714 0.925 4.702 1.00 0.00 O ATOM 158 CB PHE A 11 4.320 3.532 3.328 1.00 0.00 C ATOM 159 CG PHE A 11 2.905 3.771 2.871 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.927 4.167 3.792 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.570 3.595 1.526 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.613 4.387 3.366 1.00 0.00 C ATOM 163 CE2 PHE A 11 1.258 3.815 1.101 1.00 0.00 C ATOM 164 CZ PHE A 11 0.279 4.211 2.021 1.00 0.00 C ATOM 0 H PHE A 11 3.856 4.857 5.308 1.00 0.00 H new ATOM 0 HA PHE A 11 3.487 2.132 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.861 4.477 3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.847 2.906 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.187 4.303 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.324 3.289 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.142 4.692 4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.998 3.680 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.735 4.380 1.690 1.00 0.00 H new ATOM 174 N THR A 12 6.586 2.793 5.455 1.00 0.00 N ATOM 175 CA THR A 12 7.874 2.134 5.755 1.00 0.00 C ATOM 176 C THR A 12 7.637 1.097 6.841 1.00 0.00 C ATOM 177 O THR A 12 7.867 -0.083 6.662 1.00 0.00 O ATOM 178 CB THR A 12 8.761 3.263 6.270 1.00 0.00 C ATOM 179 OG1 THR A 12 8.365 3.607 7.592 1.00 0.00 O ATOM 180 CG2 THR A 12 8.624 4.485 5.359 1.00 0.00 C ATOM 0 H THR A 12 6.547 3.788 5.677 1.00 0.00 H new ATOM 0 HA THR A 12 8.323 1.627 4.901 1.00 0.00 H new ATOM 0 HB THR A 12 9.800 2.934 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.821 4.430 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.259 5.289 5.731 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.929 4.220 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.586 4.818 5.350 1.00 0.00 H new ATOM 188 N GLN A 13 7.150 1.536 7.965 1.00 0.00 N ATOM 189 CA GLN A 13 6.862 0.581 9.071 1.00 0.00 C ATOM 190 C GLN A 13 5.735 -0.356 8.640 1.00 0.00 C ATOM 191 O GLN A 13 5.629 -1.481 9.089 1.00 0.00 O ATOM 192 CB GLN A 13 6.429 1.449 10.253 1.00 0.00 C ATOM 193 CG GLN A 13 5.985 0.552 11.411 1.00 0.00 C ATOM 194 CD GLN A 13 5.064 1.340 12.343 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.209 0.772 12.993 1.00 0.00 O ATOM 196 NE2 GLN A 13 5.204 2.633 12.439 1.00 0.00 N ATOM 0 H GLN A 13 6.939 2.513 8.167 1.00 0.00 H new ATOM 0 HA GLN A 13 7.721 -0.037 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.253 2.088 10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.612 2.107 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.466 -0.326 11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.855 0.193 11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.922 3.110 11.893 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.596 3.167 13.060 1.00 0.00 H new ATOM 205 N ASN A 14 4.904 0.108 7.755 1.00 0.00 N ATOM 206 CA ASN A 14 3.780 -0.737 7.259 1.00 0.00 C ATOM 207 C ASN A 14 4.322 -1.799 6.313 1.00 0.00 C ATOM 208 O ASN A 14 4.119 -2.982 6.501 1.00 0.00 O ATOM 209 CB ASN A 14 2.853 0.226 6.516 1.00 0.00 C ATOM 210 CG ASN A 14 1.422 0.052 7.025 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.133 0.337 8.171 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.506 -0.409 6.217 1.00 0.00 N ATOM 0 H ASN A 14 4.953 1.042 7.349 1.00 0.00 H new ATOM 0 HA ASN A 14 3.257 -1.255 8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.182 1.254 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.895 0.033 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.451 -0.530 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.748 -0.648 5.255 1.00 0.00 H new ATOM 219 N LEU A 15 5.020 -1.371 5.307 1.00 0.00 N ATOM 220 CA LEU A 15 5.613 -2.322 4.327 1.00 0.00 C ATOM 221 C LEU A 15 6.115 -3.570 5.051 1.00 0.00 C ATOM 222 O LEU A 15 5.756 -4.681 4.719 1.00 0.00 O ATOM 223 CB LEU A 15 6.783 -1.553 3.714 1.00 0.00 C ATOM 224 CG LEU A 15 7.687 -2.511 2.937 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.492 -1.722 1.904 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.648 -3.206 3.904 1.00 0.00 C ATOM 0 H LEU A 15 5.210 -0.387 5.116 1.00 0.00 H new ATOM 0 HA LEU A 15 4.898 -2.656 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.409 -0.774 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.354 -1.057 4.499 1.00 0.00 H new ATOM 0 HG LEU A 15 7.075 -3.259 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.137 -2.403 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.810 -1.224 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.103 -0.976 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.292 -3.889 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.260 -2.459 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.077 -3.767 4.644 1.00 0.00 H new ATOM 238 N GLY A 16 6.940 -3.392 6.044 1.00 0.00 N ATOM 239 CA GLY A 16 7.461 -4.566 6.795 1.00 0.00 C ATOM 240 C GLY A 16 6.290 -5.389 7.334 1.00 0.00 C ATOM 241 O GLY A 16 6.265 -6.596 7.215 1.00 0.00 O ATOM 0 H GLY A 16 7.276 -2.485 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.082 -5.181 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.094 -4.233 7.617 1.00 0.00 H new ATOM 245 N LYS A 17 5.320 -4.748 7.928 1.00 0.00 N ATOM 246 CA LYS A 17 4.155 -5.501 8.480 1.00 0.00 C ATOM 247 C LYS A 17 3.247 -6.006 7.358 1.00 0.00 C ATOM 248 O LYS A 17 3.190 -7.184 7.068 1.00 0.00 O ATOM 249 CB LYS A 17 3.412 -4.495 9.360 1.00 0.00 C ATOM 250 CG LYS A 17 3.061 -5.151 10.697 1.00 0.00 C ATOM 251 CD LYS A 17 3.101 -4.100 11.808 1.00 0.00 C ATOM 252 CE LYS A 17 2.144 -4.507 12.929 1.00 0.00 C ATOM 253 NZ LYS A 17 2.658 -5.816 13.417 1.00 0.00 N ATOM 0 H LYS A 17 5.283 -3.737 8.055 1.00 0.00 H new ATOM 0 HA LYS A 17 4.472 -6.382 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.031 -3.614 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.505 -4.157 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.070 -5.602 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.765 -5.954 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.115 -4.005 12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.819 -3.125 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.133 -3.765 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.121 -4.596 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.317 -5.984 14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.319 -6.576 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.698 -5.804 13.414 1.00 0.00 H new ATOM 267 N PHE A 18 2.531 -5.119 6.743 1.00 0.00 N ATOM 268 CA PHE A 18 1.603 -5.521 5.644 1.00 0.00 C ATOM 269 C PHE A 18 2.237 -6.593 4.762 1.00 0.00 C ATOM 270 O PHE A 18 1.632 -7.600 4.449 1.00 0.00 O ATOM 271 CB PHE A 18 1.364 -4.242 4.840 1.00 0.00 C ATOM 272 CG PHE A 18 -0.068 -3.797 5.016 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.435 -3.048 6.139 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.028 -4.135 4.056 1.00 0.00 C ATOM 275 CE1 PHE A 18 -1.763 -2.637 6.303 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.356 -3.723 4.218 1.00 0.00 C ATOM 277 CZ PHE A 18 -2.724 -2.973 5.342 1.00 0.00 C ATOM 0 H PHE A 18 2.544 -4.121 6.951 1.00 0.00 H new ATOM 0 HA PHE A 18 0.676 -5.945 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.043 -3.458 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.574 -4.418 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.306 -2.787 6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.744 -4.714 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.046 -2.060 7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.097 -3.983 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.748 -2.654 5.467 1.00 0.00 H new ATOM 287 N ALA A 19 3.445 -6.374 4.360 1.00 0.00 N ATOM 288 CA ALA A 19 4.141 -7.362 3.488 1.00 0.00 C ATOM 289 C ALA A 19 4.150 -8.747 4.143 1.00 0.00 C ATOM 290 O ALA A 19 3.417 -9.630 3.748 1.00 0.00 O ATOM 291 CB ALA A 19 5.565 -6.828 3.341 1.00 0.00 C ATOM 0 H ALA A 19 3.993 -5.547 4.596 1.00 0.00 H new ATOM 0 HA ALA A 19 3.646 -7.476 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.143 -7.503 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.537 -5.839 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.032 -6.761 4.324 1.00 0.00 H new ATOM 297 N VAL A 20 4.970 -8.950 5.139 1.00 0.00 N ATOM 298 CA VAL A 20 5.018 -10.279 5.796 1.00 0.00 C ATOM 299 C VAL A 20 3.602 -10.816 6.027 1.00 0.00 C ATOM 300 O VAL A 20 3.396 -12.005 6.135 1.00 0.00 O ATOM 301 CB VAL A 20 5.730 -10.036 7.123 1.00 0.00 C ATOM 302 CG1 VAL A 20 7.074 -9.347 6.874 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.858 -9.156 8.022 1.00 0.00 C ATOM 0 H VAL A 20 5.606 -8.251 5.523 1.00 0.00 H new ATOM 0 HA VAL A 20 5.534 -11.021 5.187 1.00 0.00 H new ATOM 0 HB VAL A 20 5.905 -10.993 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.577 -9.176 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.697 -9.981 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.907 -8.392 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.369 -8.984 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.676 -8.201 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.907 -9.656 8.208 1.00 0.00 H new ATOM 313 N ASP A 21 2.623 -9.955 6.100 1.00 0.00 N ATOM 314 CA ASP A 21 1.230 -10.439 6.315 1.00 0.00 C ATOM 315 C ASP A 21 0.565 -10.731 4.975 1.00 0.00 C ATOM 316 O ASP A 21 0.391 -11.872 4.605 1.00 0.00 O ATOM 317 CB ASP A 21 0.514 -9.302 7.045 1.00 0.00 C ATOM 318 CG ASP A 21 0.394 -9.645 8.531 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.109 -10.714 8.834 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.807 -8.832 9.341 1.00 0.00 O ATOM 0 H ASP A 21 2.727 -8.943 6.021 1.00 0.00 H new ATOM 0 HA ASP A 21 1.198 -11.364 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.066 -8.371 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.476 -9.146 6.616 1.00 0.00 H new ATOM 325 N GLU A 22 0.194 -9.727 4.232 1.00 0.00 N ATOM 326 CA GLU A 22 -0.447 -10.010 2.922 1.00 0.00 C ATOM 327 C GLU A 22 0.498 -10.855 2.072 1.00 0.00 C ATOM 328 O GLU A 22 0.081 -11.754 1.380 1.00 0.00 O ATOM 329 CB GLU A 22 -0.735 -8.645 2.285 1.00 0.00 C ATOM 330 CG GLU A 22 -1.759 -7.896 3.138 1.00 0.00 C ATOM 331 CD GLU A 22 -3.173 -8.279 2.692 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.416 -8.277 1.498 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.986 -8.568 3.554 1.00 0.00 O ATOM 0 H GLU A 22 0.304 -8.741 4.470 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.374 -10.576 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.185 -8.065 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.115 -8.776 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.620 -8.141 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.614 -6.820 3.039 1.00 0.00 H new ATOM 340 N GLU A 23 1.769 -10.601 2.143 1.00 0.00 N ATOM 341 CA GLU A 23 2.731 -11.424 1.355 1.00 0.00 C ATOM 342 C GLU A 23 2.696 -12.864 1.867 1.00 0.00 C ATOM 343 O GLU A 23 2.539 -13.803 1.112 1.00 0.00 O ATOM 344 CB GLU A 23 4.101 -10.789 1.588 1.00 0.00 C ATOM 345 CG GLU A 23 5.076 -11.267 0.514 1.00 0.00 C ATOM 346 CD GLU A 23 6.253 -11.979 1.182 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.051 -13.075 1.679 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.335 -11.417 1.185 1.00 0.00 O ATOM 0 H GLU A 23 2.187 -9.863 2.709 1.00 0.00 H new ATOM 0 HA GLU A 23 2.492 -11.451 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.019 -9.702 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.474 -11.056 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.572 -11.943 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.433 -10.420 -0.072 1.00 0.00 H new ATOM 355 N ASN A 24 2.809 -13.057 3.148 1.00 0.00 N ATOM 356 CA ASN A 24 2.733 -14.445 3.674 1.00 0.00 C ATOM 357 C ASN A 24 1.319 -14.960 3.424 1.00 0.00 C ATOM 358 O ASN A 24 1.118 -16.053 2.935 1.00 0.00 O ATOM 359 CB ASN A 24 3.020 -14.339 5.171 1.00 0.00 C ATOM 360 CG ASN A 24 2.967 -15.731 5.803 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.475 -16.666 5.201 1.00 0.00 O ATOM 362 ND2 ASN A 24 3.455 -15.910 6.999 1.00 0.00 N ATOM 0 H ASN A 24 2.949 -12.326 3.845 1.00 0.00 H new ATOM 0 HA ASN A 24 3.438 -15.128 3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.001 -13.892 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.289 -13.685 5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.424 -16.834 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.868 -15.126 7.504 1.00 0.00 H new ATOM 369 N LYS A 25 0.336 -14.160 3.741 1.00 0.00 N ATOM 370 CA LYS A 25 -1.073 -14.583 3.503 1.00 0.00 C ATOM 371 C LYS A 25 -1.290 -14.869 2.017 1.00 0.00 C ATOM 372 O LYS A 25 -1.937 -15.828 1.645 1.00 0.00 O ATOM 373 CB LYS A 25 -1.928 -13.399 3.957 1.00 0.00 C ATOM 374 CG LYS A 25 -3.299 -13.904 4.413 1.00 0.00 C ATOM 375 CD LYS A 25 -3.612 -13.343 5.802 1.00 0.00 C ATOM 376 CE LYS A 25 -5.110 -13.481 6.085 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.431 -14.901 5.767 1.00 0.00 N ATOM 0 H LYS A 25 0.448 -13.234 4.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.329 -15.495 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.433 -12.871 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.044 -12.687 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.067 -13.596 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.307 -14.994 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.038 -13.877 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.316 -12.295 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.339 -13.248 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.693 -12.797 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.281 -15.191 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.605 -14.997 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.632 -15.507 6.041 1.00 0.00 H new ATOM 391 N ILE A 26 -0.749 -14.046 1.167 1.00 0.00 N ATOM 392 CA ILE A 26 -0.919 -14.274 -0.302 1.00 0.00 C ATOM 393 C ILE A 26 -0.048 -15.451 -0.747 1.00 0.00 C ATOM 394 O ILE A 26 -0.193 -15.971 -1.835 1.00 0.00 O ATOM 395 CB ILE A 26 -0.495 -12.966 -0.999 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.191 -12.867 -2.358 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.018 -12.930 -1.215 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.704 -12.981 -2.169 1.00 0.00 C ATOM 0 H ILE A 26 -0.197 -13.226 1.419 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.949 -14.523 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.781 -12.128 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.944 -11.919 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.836 -13.658 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.293 -11.998 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.525 -12.994 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.317 -13.772 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.198 -12.910 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.942 -13.940 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.052 -12.174 -1.525 1.00 0.00 H new ATOM 410 N GLY A 27 0.855 -15.875 0.094 1.00 0.00 N ATOM 411 CA GLY A 27 1.736 -17.021 -0.269 1.00 0.00 C ATOM 412 C GLY A 27 2.925 -16.520 -1.090 1.00 0.00 C ATOM 413 O GLY A 27 2.933 -16.601 -2.302 1.00 0.00 O ATOM 0 H GLY A 27 1.021 -15.477 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.090 -17.520 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.172 -17.758 -0.841 1.00 0.00 H new ATOM 417 N GLN A 28 3.932 -16.006 -0.439 1.00 0.00 N ATOM 418 CA GLN A 28 5.122 -15.504 -1.185 1.00 0.00 C ATOM 419 C GLN A 28 6.407 -15.865 -0.434 1.00 0.00 C ATOM 420 O GLN A 28 7.151 -16.736 -0.841 1.00 0.00 O ATOM 421 CB GLN A 28 4.943 -13.986 -1.244 1.00 0.00 C ATOM 422 CG GLN A 28 5.150 -13.503 -2.681 1.00 0.00 C ATOM 423 CD GLN A 28 6.506 -13.993 -3.194 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.513 -13.340 -3.003 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.574 -15.124 -3.842 1.00 0.00 N ATOM 0 H GLN A 28 3.983 -15.912 0.575 1.00 0.00 H new ATOM 0 HA GLN A 28 5.201 -15.943 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.946 -13.713 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.656 -13.499 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.351 -13.877 -3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.106 -12.415 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.729 -15.672 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.473 -15.460 -4.188 1.00 0.00 H new ATOM 486 N LEU A 32 10.105 -12.903 5.497 1.00 0.00 N ATOM 487 CA LEU A 32 10.518 -11.476 5.632 1.00 0.00 C ATOM 488 C LEU A 32 10.112 -10.676 4.393 1.00 0.00 C ATOM 489 O LEU A 32 9.867 -11.222 3.336 1.00 0.00 O ATOM 490 CB LEU A 32 12.041 -11.514 5.762 1.00 0.00 C ATOM 491 CG LEU A 32 12.448 -12.640 6.713 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.973 -12.719 6.783 1.00 0.00 C ATOM 493 CD2 LEU A 32 11.883 -12.357 8.105 1.00 0.00 C ATOM 0 HA LEU A 32 10.042 -10.995 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.496 -11.669 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.408 -10.558 6.136 1.00 0.00 H new ATOM 0 HG LEU A 32 12.053 -13.588 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.265 -13.521 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.373 -12.920 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.370 -11.772 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.172 -13.159 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.278 -11.410 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.796 -12.301 8.052 1.00 0.00 H new ATOM 505 N THR A 33 10.045 -9.379 4.521 1.00 0.00 N ATOM 506 CA THR A 33 9.663 -8.525 3.364 1.00 0.00 C ATOM 507 C THR A 33 10.036 -7.068 3.650 1.00 0.00 C ATOM 508 O THR A 33 9.227 -6.170 3.529 1.00 0.00 O ATOM 509 CB THR A 33 8.147 -8.682 3.239 1.00 0.00 C ATOM 510 OG1 THR A 33 7.728 -9.829 3.965 1.00 0.00 O ATOM 511 CG2 THR A 33 7.765 -8.842 1.767 1.00 0.00 C ATOM 0 H THR A 33 10.240 -8.872 5.384 1.00 0.00 H new ATOM 0 HA THR A 33 10.174 -8.811 2.445 1.00 0.00 H new ATOM 0 HB THR A 33 7.658 -7.796 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.670 -10.597 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.684 -8.954 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.084 -7.961 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.254 -9.726 1.358 1.00 0.00 H new ATOM 519 N PHE A 34 11.260 -6.832 4.036 1.00 0.00 N ATOM 520 CA PHE A 34 11.703 -5.440 4.341 1.00 0.00 C ATOM 521 C PHE A 34 13.200 -5.432 4.677 1.00 0.00 C ATOM 522 O PHE A 34 13.645 -6.119 5.574 1.00 0.00 O ATOM 523 CB PHE A 34 10.865 -5.013 5.553 1.00 0.00 C ATOM 524 CG PHE A 34 11.429 -5.625 6.815 1.00 0.00 C ATOM 525 CD1 PHE A 34 11.627 -7.009 6.901 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.756 -4.805 7.903 1.00 0.00 C ATOM 527 CE1 PHE A 34 12.150 -7.571 8.071 1.00 0.00 C ATOM 528 CE2 PHE A 34 12.279 -5.368 9.073 1.00 0.00 C ATOM 529 CZ PHE A 34 12.476 -6.750 9.157 1.00 0.00 C ATOM 0 H PHE A 34 11.977 -7.548 4.154 1.00 0.00 H new ATOM 0 HA PHE A 34 11.564 -4.761 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.860 -3.926 5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.830 -5.327 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.376 -7.643 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.604 -3.738 7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.302 -8.638 8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.530 -4.735 9.911 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.880 -7.184 10.060 1.00 0.00 H new ATOM 539 N ASN A 35 13.982 -4.667 3.963 1.00 0.00 N ATOM 540 CA ASN A 35 15.447 -4.635 4.251 1.00 0.00 C ATOM 541 C ASN A 35 16.094 -3.352 3.711 1.00 0.00 C ATOM 542 O ASN A 35 16.694 -2.598 4.450 1.00 0.00 O ATOM 543 CB ASN A 35 16.013 -5.860 3.532 1.00 0.00 C ATOM 544 CG ASN A 35 16.770 -6.735 4.532 1.00 0.00 C ATOM 545 OD1 ASN A 35 16.220 -7.148 5.533 1.00 0.00 O ATOM 546 ND2 ASN A 35 18.018 -7.036 4.302 1.00 0.00 N ATOM 0 H ASN A 35 13.674 -4.067 3.198 1.00 0.00 H new ATOM 0 HA ASN A 35 15.647 -4.649 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.206 -6.430 3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.680 -5.547 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.532 -7.618 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 35 18.480 -6.689 3.461 1.00 0.00 H new ATOM 553 N LYS A 36 16.003 -3.107 2.429 1.00 0.00 N ATOM 554 CA LYS A 36 16.644 -1.883 1.863 1.00 0.00 C ATOM 555 C LYS A 36 15.930 -0.605 2.338 1.00 0.00 C ATOM 556 O LYS A 36 16.210 -0.108 3.410 1.00 0.00 O ATOM 557 CB LYS A 36 16.551 -2.042 0.343 1.00 0.00 C ATOM 558 CG LYS A 36 17.912 -2.481 -0.201 1.00 0.00 C ATOM 559 CD LYS A 36 17.897 -3.986 -0.471 1.00 0.00 C ATOM 560 CE LYS A 36 18.124 -4.744 0.839 1.00 0.00 C ATOM 561 NZ LYS A 36 19.592 -4.986 0.892 1.00 0.00 N ATOM 0 H LYS A 36 15.516 -3.697 1.754 1.00 0.00 H new ATOM 0 HA LYS A 36 17.678 -1.782 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.789 -2.779 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.249 -1.100 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.140 -1.939 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.697 -2.238 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.943 -4.277 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.673 -4.244 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.789 -4.160 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.568 -5.682 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.827 -5.502 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.881 -5.549 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.094 -4.075 0.883 1.00 0.00 H new ATOM 575 N VAL A 37 15.031 -0.049 1.560 1.00 0.00 N ATOM 576 CA VAL A 37 14.358 1.210 2.008 1.00 0.00 C ATOM 577 C VAL A 37 13.042 1.450 1.249 1.00 0.00 C ATOM 578 O VAL A 37 12.712 0.754 0.310 1.00 0.00 O ATOM 579 CB VAL A 37 15.376 2.309 1.681 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.680 3.670 1.591 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.440 2.359 2.778 1.00 0.00 C ATOM 0 H VAL A 37 14.739 -0.405 0.650 1.00 0.00 H new ATOM 0 HA VAL A 37 14.087 1.177 3.063 1.00 0.00 H new ATOM 0 HB VAL A 37 15.841 2.084 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.415 4.440 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.924 3.641 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.204 3.899 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.164 3.140 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.966 2.576 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.949 1.397 2.835 1.00 0.00 H new ATOM 591 N ILE A 38 12.300 2.449 1.660 1.00 0.00 N ATOM 592 CA ILE A 38 11.007 2.777 0.987 1.00 0.00 C ATOM 593 C ILE A 38 10.993 4.255 0.582 1.00 0.00 C ATOM 594 O ILE A 38 10.919 5.134 1.418 1.00 0.00 O ATOM 595 CB ILE A 38 9.923 2.494 2.038 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.637 3.243 1.670 1.00 0.00 C ATOM 597 CG2 ILE A 38 10.397 2.964 3.417 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.427 2.358 1.965 1.00 0.00 C ATOM 0 H ILE A 38 12.539 3.058 2.443 1.00 0.00 H new ATOM 0 HA ILE A 38 10.850 2.193 0.080 1.00 0.00 H new ATOM 0 HB ILE A 38 9.730 1.422 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.569 4.171 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.652 3.516 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.623 2.760 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.309 2.432 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.597 4.035 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.513 2.892 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.494 1.443 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.409 2.108 3.026 1.00 0.00 H new ATOM 610 N ARG A 39 11.063 4.539 -0.692 1.00 0.00 N ATOM 611 CA ARG A 39 11.054 5.965 -1.129 1.00 0.00 C ATOM 612 C ARG A 39 9.821 6.266 -1.993 1.00 0.00 C ATOM 613 O ARG A 39 9.030 7.120 -1.645 1.00 0.00 O ATOM 614 CB ARG A 39 12.346 6.156 -1.923 1.00 0.00 C ATOM 615 CG ARG A 39 13.260 7.135 -1.185 1.00 0.00 C ATOM 616 CD ARG A 39 13.236 8.491 -1.892 1.00 0.00 C ATOM 617 NE ARG A 39 14.243 9.318 -1.172 1.00 0.00 N ATOM 618 CZ ARG A 39 15.509 9.010 -1.239 1.00 0.00 C ATOM 619 NH1 ARG A 39 16.156 9.140 -2.365 1.00 0.00 N ATOM 620 NH2 ARG A 39 16.130 8.570 -0.178 1.00 0.00 N ATOM 0 H ARG A 39 11.125 3.851 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 39 11.002 6.648 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.850 5.198 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.120 6.534 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.932 7.246 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.278 6.747 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.489 8.391 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.246 8.944 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 39 13.943 10.126 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.672 9.483 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.146 8.899 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.625 8.467 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.120 8.329 -0.230 1.00 0.00 H new ATOM 634 N PRO A 40 9.683 5.567 -3.096 1.00 0.00 N ATOM 635 CA PRO A 40 8.525 5.802 -3.981 1.00 0.00 C ATOM 636 C PRO A 40 7.298 5.017 -3.505 1.00 0.00 C ATOM 637 O PRO A 40 6.606 4.380 -4.277 1.00 0.00 O ATOM 638 CB PRO A 40 9.010 5.318 -5.341 1.00 0.00 C ATOM 639 CG PRO A 40 10.106 4.330 -5.060 1.00 0.00 C ATOM 640 CD PRO A 40 10.561 4.518 -3.627 1.00 0.00 C ATOM 0 HA PRO A 40 8.207 6.844 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.199 4.853 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.378 6.149 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.748 3.312 -5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.939 4.482 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.466 3.594 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.608 4.816 -3.579 1.00 0.00 H new ATOM 648 N CYS A 41 7.016 5.080 -2.238 1.00 0.00 N ATOM 649 CA CYS A 41 5.820 4.364 -1.703 1.00 0.00 C ATOM 650 C CYS A 41 4.594 5.284 -1.782 1.00 0.00 C ATOM 651 O CYS A 41 4.386 6.140 -0.940 1.00 0.00 O ATOM 652 CB CYS A 41 6.158 4.025 -0.248 1.00 0.00 C ATOM 653 SG CYS A 41 6.639 5.528 0.637 1.00 0.00 S ATOM 0 H CYS A 41 7.559 5.595 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 41 5.586 3.463 -2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.297 3.566 0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.968 3.297 -0.214 1.00 0.00 H new ATOM 0 HG CYS A 41 5.973 6.541 0.167 1.00 0.00 H new ATOM 659 N MET A 42 3.793 5.125 -2.803 1.00 0.00 N ATOM 660 CA MET A 42 2.590 5.997 -2.966 1.00 0.00 C ATOM 661 C MET A 42 1.331 5.302 -2.434 1.00 0.00 C ATOM 662 O MET A 42 1.380 4.205 -1.921 1.00 0.00 O ATOM 663 CB MET A 42 2.471 6.212 -4.475 1.00 0.00 C ATOM 664 CG MET A 42 3.006 7.596 -4.846 1.00 0.00 C ATOM 665 SD MET A 42 4.727 7.745 -4.301 1.00 0.00 S ATOM 666 CE MET A 42 5.372 8.520 -5.804 1.00 0.00 C ATOM 0 H MET A 42 3.920 4.426 -3.535 1.00 0.00 H new ATOM 0 HA MET A 42 2.688 6.931 -2.413 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.030 5.442 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.430 6.120 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.940 7.746 -5.924 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.397 8.370 -4.379 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.440 8.706 -5.688 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.209 7.857 -6.654 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.856 9.464 -5.977 1.00 0.00 H new ATOM 676 N LYS A 43 0.203 5.943 -2.564 1.00 0.00 N ATOM 677 CA LYS A 43 -1.073 5.338 -2.081 1.00 0.00 C ATOM 678 C LYS A 43 -2.260 6.047 -2.735 1.00 0.00 C ATOM 679 O LYS A 43 -2.160 7.184 -3.143 1.00 0.00 O ATOM 680 CB LYS A 43 -1.076 5.570 -0.569 1.00 0.00 C ATOM 681 CG LYS A 43 -2.500 5.432 -0.024 1.00 0.00 C ATOM 682 CD LYS A 43 -3.250 6.754 -0.207 1.00 0.00 C ATOM 683 CE LYS A 43 -3.857 7.190 1.127 1.00 0.00 C ATOM 684 NZ LYS A 43 -3.954 8.674 1.036 1.00 0.00 N ATOM 0 H LYS A 43 0.108 6.866 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.153 4.279 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.419 4.850 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.686 6.562 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.023 4.630 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.472 5.161 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.570 7.521 -0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.035 6.638 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.837 6.739 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.230 6.885 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.362 9.050 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.005 9.076 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.562 8.934 0.233 1.00 0.00 H new ATOM 698 N LYS A 44 -3.384 5.394 -2.831 1.00 0.00 N ATOM 699 CA LYS A 44 -4.564 6.058 -3.453 1.00 0.00 C ATOM 700 C LYS A 44 -5.827 5.215 -3.260 1.00 0.00 C ATOM 701 O LYS A 44 -5.864 4.046 -3.589 1.00 0.00 O ATOM 702 CB LYS A 44 -4.213 6.187 -4.939 1.00 0.00 C ATOM 703 CG LYS A 44 -4.386 4.835 -5.633 1.00 0.00 C ATOM 704 CD LYS A 44 -3.726 4.880 -7.012 1.00 0.00 C ATOM 705 CE LYS A 44 -4.788 4.687 -8.097 1.00 0.00 C ATOM 706 NZ LYS A 44 -4.302 3.538 -8.912 1.00 0.00 N ATOM 0 H LYS A 44 -3.537 4.438 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.772 7.027 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.854 6.932 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.186 6.534 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.939 4.045 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.445 4.599 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.218 5.834 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.968 4.101 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.764 4.476 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.898 5.584 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.914 3.420 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.326 3.720 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.327 2.671 -8.339 1.00 0.00 H new ATOM 720 N THR A 45 -6.864 5.804 -2.733 1.00 0.00 N ATOM 721 CA THR A 45 -8.128 5.042 -2.523 1.00 0.00 C ATOM 722 C THR A 45 -9.222 5.575 -3.443 1.00 0.00 C ATOM 723 O THR A 45 -9.237 6.736 -3.804 1.00 0.00 O ATOM 724 CB THR A 45 -8.502 5.280 -1.057 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.580 4.591 -0.230 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.922 4.761 -0.779 1.00 0.00 C ATOM 0 H THR A 45 -6.892 6.780 -2.438 1.00 0.00 H new ATOM 0 HA THR A 45 -8.010 3.982 -2.746 1.00 0.00 H new ATOM 0 HB THR A 45 -8.470 6.349 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.068 4.024 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.175 4.936 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.633 5.286 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.966 3.692 -0.989 1.00 0.00 H new ATOM 734 N ILE A 46 -10.151 4.741 -3.802 1.00 0.00 N ATOM 735 CA ILE A 46 -11.262 5.193 -4.670 1.00 0.00 C ATOM 736 C ILE A 46 -12.569 4.898 -3.945 1.00 0.00 C ATOM 737 O ILE A 46 -12.808 3.790 -3.514 1.00 0.00 O ATOM 738 CB ILE A 46 -11.121 4.371 -5.957 1.00 0.00 C ATOM 739 CG1 ILE A 46 -10.266 5.147 -6.961 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.497 4.101 -6.576 1.00 0.00 C ATOM 741 CD1 ILE A 46 -10.100 4.320 -8.235 1.00 0.00 C ATOM 0 H ILE A 46 -10.187 3.759 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.246 6.258 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.648 3.419 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.736 6.102 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.290 5.369 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.377 3.517 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -13.112 3.546 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.982 5.048 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.491 4.872 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.611 3.376 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.080 4.121 -8.670 1.00 0.00 H new ATOM 898 N GLY A 55 -13.294 1.574 -2.371 1.00 0.00 N ATOM 899 CA GLY A 55 -12.132 0.699 -2.031 1.00 0.00 C ATOM 900 C GLY A 55 -10.877 1.509 -1.728 1.00 0.00 C ATOM 901 O GLY A 55 -10.794 2.688 -2.003 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.383 0.082 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.934 0.020 -2.861 1.00 0.00 H new ATOM 905 N TYR A 56 -9.896 0.856 -1.163 1.00 0.00 N ATOM 906 CA TYR A 56 -8.617 1.534 -0.822 1.00 0.00 C ATOM 907 C TYR A 56 -7.441 0.758 -1.425 1.00 0.00 C ATOM 908 O TYR A 56 -7.029 -0.262 -0.908 1.00 0.00 O ATOM 909 CB TYR A 56 -8.558 1.494 0.707 1.00 0.00 C ATOM 910 CG TYR A 56 -7.520 2.467 1.210 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.183 2.336 0.814 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.896 3.501 2.077 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.222 3.239 1.284 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.935 4.404 2.546 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.599 4.273 2.150 1.00 0.00 C ATOM 916 OH TYR A 56 -4.651 5.163 2.614 1.00 0.00 O ATOM 0 H TYR A 56 -9.931 -0.134 -0.921 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.561 2.551 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.534 1.744 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.316 0.486 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.893 1.538 0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.927 3.601 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.191 3.138 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.224 5.202 3.214 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.095 5.891 3.098 1.00 0.00 H new ATOM 926 N GLU A 57 -6.897 1.229 -2.514 1.00 0.00 N ATOM 927 CA GLU A 57 -5.745 0.516 -3.141 1.00 0.00 C ATOM 928 C GLU A 57 -4.449 1.271 -2.838 1.00 0.00 C ATOM 929 O GLU A 57 -4.459 2.467 -2.631 1.00 0.00 O ATOM 930 CB GLU A 57 -6.037 0.530 -4.643 1.00 0.00 C ATOM 931 CG GLU A 57 -6.007 1.971 -5.155 1.00 0.00 C ATOM 932 CD GLU A 57 -6.083 1.972 -6.683 1.00 0.00 C ATOM 933 OE1 GLU A 57 -5.119 1.557 -7.304 1.00 0.00 O ATOM 934 OE2 GLU A 57 -7.103 2.389 -7.206 1.00 0.00 O ATOM 0 H GLU A 57 -7.199 2.075 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.625 -0.500 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.299 -0.071 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.012 0.083 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.843 2.533 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.094 2.466 -4.825 1.00 0.00 H new ATOM 941 N TYR A 58 -3.335 0.594 -2.794 1.00 0.00 N ATOM 942 CA TYR A 58 -2.064 1.321 -2.485 1.00 0.00 C ATOM 943 C TYR A 58 -0.883 0.791 -3.302 1.00 0.00 C ATOM 944 O TYR A 58 -0.849 -0.351 -3.717 1.00 0.00 O ATOM 945 CB TYR A 58 -1.852 1.117 -0.971 1.00 0.00 C ATOM 946 CG TYR A 58 -0.606 0.298 -0.660 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.435 -0.983 -1.206 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.363 0.809 0.214 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.694 -1.737 -0.880 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.485 0.049 0.544 1.00 0.00 C ATOM 951 CZ TYR A 58 1.653 -1.226 -0.002 1.00 0.00 C ATOM 952 OH TYR A 58 2.763 -1.978 0.325 1.00 0.00 O ATOM 0 H TYR A 58 -3.245 -0.409 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.129 2.376 -2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.774 2.089 -0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.725 0.618 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.177 -1.386 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.240 1.796 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.826 -2.719 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.225 0.447 1.223 1.00 0.00 H new ATOM 0 HH TYR A 58 2.715 -2.846 -0.128 1.00 0.00 H new ATOM 962 N GLN A 59 0.097 1.626 -3.499 1.00 0.00 N ATOM 963 CA GLN A 59 1.312 1.216 -4.246 1.00 0.00 C ATOM 964 C GLN A 59 2.533 1.516 -3.375 1.00 0.00 C ATOM 965 O GLN A 59 2.723 2.625 -2.921 1.00 0.00 O ATOM 966 CB GLN A 59 1.320 2.073 -5.511 1.00 0.00 C ATOM 967 CG GLN A 59 1.013 3.527 -5.144 1.00 0.00 C ATOM 968 CD GLN A 59 1.053 4.393 -6.404 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.150 5.166 -6.653 1.00 0.00 O ATOM 970 NE2 GLN A 59 2.070 4.295 -7.217 1.00 0.00 N ATOM 0 H GLN A 59 0.105 2.591 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 59 1.328 0.155 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.291 2.008 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.580 1.701 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.032 3.595 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.740 3.891 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.829 3.646 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.106 4.867 -8.060 1.00 0.00 H new ATOM 979 N LEU A 60 3.356 0.545 -3.128 1.00 0.00 N ATOM 980 CA LEU A 60 4.548 0.783 -2.275 1.00 0.00 C ATOM 981 C LEU A 60 5.803 0.446 -3.065 1.00 0.00 C ATOM 982 O LEU A 60 6.485 -0.523 -2.795 1.00 0.00 O ATOM 983 CB LEU A 60 4.366 -0.160 -1.086 1.00 0.00 C ATOM 984 CG LEU A 60 5.582 -0.082 -0.161 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.236 0.766 1.067 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.963 -1.493 0.291 1.00 0.00 C ATOM 0 H LEU A 60 3.256 -0.407 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 60 4.648 1.818 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.463 0.106 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.234 -1.182 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 60 6.417 0.372 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.102 0.822 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.957 1.770 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.402 0.310 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.829 -1.442 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.126 -1.942 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.206 -2.101 -0.580 1.00 0.00 H new ATOM 998 N TYR A 61 6.107 1.243 -4.046 1.00 0.00 N ATOM 999 CA TYR A 61 7.311 0.980 -4.866 1.00 0.00 C ATOM 1000 C TYR A 61 8.552 1.231 -4.017 1.00 0.00 C ATOM 1001 O TYR A 61 8.849 2.349 -3.652 1.00 0.00 O ATOM 1002 CB TYR A 61 7.201 1.972 -6.017 1.00 0.00 C ATOM 1003 CG TYR A 61 8.272 1.687 -7.041 1.00 0.00 C ATOM 1004 CD1 TYR A 61 8.426 0.390 -7.546 1.00 0.00 C ATOM 1005 CD2 TYR A 61 9.111 2.716 -7.487 1.00 0.00 C ATOM 1006 CE1 TYR A 61 9.417 0.123 -8.497 1.00 0.00 C ATOM 1007 CE2 TYR A 61 10.103 2.449 -8.437 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.255 1.153 -8.941 1.00 0.00 C ATOM 1009 OH TYR A 61 11.232 0.887 -9.877 1.00 0.00 O ATOM 0 H TYR A 61 5.570 2.068 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 61 7.385 -0.044 -5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.216 1.900 -6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.305 2.990 -5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.780 -0.404 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.992 3.716 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.535 -0.877 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.750 3.242 -8.781 1.00 0.00 H new ATOM 0 HH TYR A 61 11.449 1.708 -10.366 1.00 0.00 H new ATOM 1019 N VAL A 62 9.267 0.193 -3.679 1.00 0.00 N ATOM 1020 CA VAL A 62 10.475 0.365 -2.830 1.00 0.00 C ATOM 1021 C VAL A 62 11.393 -0.839 -2.989 1.00 0.00 C ATOM 1022 O VAL A 62 11.284 -1.601 -3.930 1.00 0.00 O ATOM 1023 CB VAL A 62 9.944 0.427 -1.395 1.00 0.00 C ATOM 1024 CG1 VAL A 62 9.040 1.650 -1.224 1.00 0.00 C ATOM 1025 CG2 VAL A 62 9.140 -0.837 -1.095 1.00 0.00 C ATOM 0 H VAL A 62 9.065 -0.768 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 62 11.046 1.254 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 62 10.786 0.502 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.667 1.686 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.609 2.555 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.199 1.581 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.762 -0.794 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.303 -0.909 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.781 -1.711 -1.208 1.00 0.00 H new ATOM 1035 N TYR A 63 12.286 -1.024 -2.068 1.00 0.00 N ATOM 1036 CA TYR A 63 13.204 -2.188 -2.152 1.00 0.00 C ATOM 1037 C TYR A 63 13.461 -2.755 -0.760 1.00 0.00 C ATOM 1038 O TYR A 63 13.850 -2.050 0.150 1.00 0.00 O ATOM 1039 CB TYR A 63 14.498 -1.652 -2.756 1.00 0.00 C ATOM 1040 CG TYR A 63 15.486 -2.787 -2.923 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.046 -4.120 -2.934 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.846 -2.502 -3.072 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.969 -5.160 -3.092 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.768 -3.541 -3.233 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.330 -4.871 -3.242 1.00 0.00 C ATOM 1046 OH TYR A 63 18.240 -5.895 -3.400 1.00 0.00 O ATOM 0 H TYR A 63 12.422 -0.420 -1.258 1.00 0.00 H new ATOM 0 HA TYR A 63 12.784 -2.992 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.296 -1.187 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.920 -0.880 -2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.995 -4.343 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 63 17.186 -1.477 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.631 -6.186 -3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.818 -3.318 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 63 19.141 -5.521 -3.492 1.00 0.00 H new ATOM 1056 N ALA A 64 13.244 -4.025 -0.589 1.00 0.00 N ATOM 1057 CA ALA A 64 13.474 -4.644 0.739 1.00 0.00 C ATOM 1058 C ALA A 64 14.533 -5.742 0.618 1.00 0.00 C ATOM 1059 O ALA A 64 15.573 -5.544 0.026 1.00 0.00 O ATOM 1060 CB ALA A 64 12.122 -5.231 1.122 1.00 0.00 C ATOM 0 H ALA A 64 12.916 -4.663 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 64 13.836 -3.937 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.197 -5.712 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.379 -4.435 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.820 -5.967 0.376 1.00 0.00 H new ATOM 1066 N SER A 65 14.278 -6.902 1.160 1.00 0.00 N ATOM 1067 CA SER A 65 15.271 -8.005 1.050 1.00 0.00 C ATOM 1068 C SER A 65 15.052 -8.749 -0.270 1.00 0.00 C ATOM 1069 O SER A 65 15.954 -9.356 -0.814 1.00 0.00 O ATOM 1070 CB SER A 65 14.987 -8.921 2.240 1.00 0.00 C ATOM 1071 OG SER A 65 13.728 -9.554 2.053 1.00 0.00 O ATOM 0 H SER A 65 13.427 -7.132 1.673 1.00 0.00 H new ATOM 0 HA SER A 65 16.301 -7.649 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.774 -9.670 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.984 -8.345 3.165 1.00 0.00 H new ATOM 0 HG SER A 65 13.542 -10.144 2.813 1.00 0.00 H new ATOM 1077 N ASP A 66 13.855 -8.698 -0.788 1.00 0.00 N ATOM 1078 CA ASP A 66 13.557 -9.389 -2.077 1.00 0.00 C ATOM 1079 C ASP A 66 12.409 -8.675 -2.799 1.00 0.00 C ATOM 1080 O ASP A 66 11.781 -9.220 -3.685 1.00 0.00 O ATOM 1081 CB ASP A 66 13.146 -10.807 -1.680 1.00 0.00 C ATOM 1082 CG ASP A 66 14.151 -11.807 -2.251 1.00 0.00 C ATOM 1083 OD1 ASP A 66 15.242 -11.895 -1.711 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.815 -12.470 -3.218 1.00 0.00 O ATOM 0 H ASP A 66 13.065 -8.205 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 66 14.409 -9.390 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.106 -10.895 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.146 -11.026 -2.055 1.00 0.00 H new ATOM 1089 N LYS A 67 12.131 -7.456 -2.421 1.00 0.00 N ATOM 1090 CA LYS A 67 11.028 -6.691 -3.073 1.00 0.00 C ATOM 1091 C LYS A 67 11.604 -5.549 -3.905 1.00 0.00 C ATOM 1092 O LYS A 67 11.523 -4.395 -3.539 1.00 0.00 O ATOM 1093 CB LYS A 67 10.209 -6.138 -1.920 1.00 0.00 C ATOM 1094 CG LYS A 67 9.277 -5.040 -2.430 1.00 0.00 C ATOM 1095 CD LYS A 67 9.509 -3.768 -1.617 1.00 0.00 C ATOM 1096 CE LYS A 67 9.308 -4.067 -0.129 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.855 -4.360 0.012 1.00 0.00 N ATOM 0 H LYS A 67 12.624 -6.954 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 67 10.433 -7.310 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.628 -6.936 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.870 -5.739 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.464 -4.850 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.238 -5.358 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.518 -3.392 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.819 -2.988 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.914 -4.915 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.601 -3.217 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.600 -4.374 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.304 -3.624 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.645 -5.287 -0.411 1.00 0.00 H new ATOM 1111 N LEU A 68 12.165 -5.865 -5.023 1.00 0.00 N ATOM 1112 CA LEU A 68 12.739 -4.805 -5.902 1.00 0.00 C ATOM 1113 C LEU A 68 11.643 -4.244 -6.797 1.00 0.00 C ATOM 1114 O LEU A 68 11.663 -4.421 -7.998 1.00 0.00 O ATOM 1115 CB LEU A 68 13.792 -5.513 -6.749 1.00 0.00 C ATOM 1116 CG LEU A 68 15.181 -4.983 -6.393 1.00 0.00 C ATOM 1117 CD1 LEU A 68 16.237 -5.724 -7.215 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.251 -3.485 -6.706 1.00 0.00 C ATOM 0 H LEU A 68 12.256 -6.817 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 68 13.164 -3.978 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.748 -6.589 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.590 -5.350 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 68 15.369 -5.143 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.227 -5.346 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.188 -6.790 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.049 -5.565 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.241 -3.106 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.063 -3.326 -7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.499 -2.956 -6.121 1.00 0.00 H new ATOM 1130 N PHE A 69 10.677 -3.578 -6.228 1.00 0.00 N ATOM 1131 CA PHE A 69 9.584 -3.029 -7.069 1.00 0.00 C ATOM 1132 C PHE A 69 8.500 -2.387 -6.189 1.00 0.00 C ATOM 1133 O PHE A 69 8.775 -1.456 -5.461 1.00 0.00 O ATOM 1134 CB PHE A 69 9.054 -4.231 -7.861 1.00 0.00 C ATOM 1135 CG PHE A 69 9.024 -5.481 -7.003 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.589 -5.427 -5.671 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.431 -6.704 -7.553 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.562 -6.593 -4.896 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.404 -7.868 -6.778 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.969 -7.812 -5.450 1.00 0.00 C ATOM 0 H PHE A 69 10.599 -3.393 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 69 9.922 -2.238 -7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.051 -4.014 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.684 -4.401 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.275 -4.486 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.767 -6.748 -8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.227 -6.552 -3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.719 -8.809 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.947 -8.711 -4.851 1.00 0.00 H new ATOM 1150 N ARG A 70 7.274 -2.854 -6.241 1.00 0.00 N ATOM 1151 CA ARG A 70 6.215 -2.223 -5.394 1.00 0.00 C ATOM 1152 C ARG A 70 5.311 -3.261 -4.749 1.00 0.00 C ATOM 1153 O ARG A 70 4.687 -4.062 -5.417 1.00 0.00 O ATOM 1154 CB ARG A 70 5.378 -1.378 -6.353 1.00 0.00 C ATOM 1155 CG ARG A 70 4.140 -0.825 -5.619 1.00 0.00 C ATOM 1156 CD ARG A 70 3.227 -0.116 -6.624 1.00 0.00 C ATOM 1157 NE ARG A 70 3.180 -1.017 -7.810 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.100 -1.704 -8.064 1.00 0.00 C ATOM 1159 NH1 ARG A 70 1.140 -1.172 -8.770 1.00 0.00 N ATOM 1160 NH2 ARG A 70 1.981 -2.923 -7.613 1.00 0.00 N ATOM 0 H ARG A 70 6.966 -3.632 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 70 6.670 -1.646 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.977 -0.556 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.067 -1.981 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.601 -1.637 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.447 -0.130 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.231 0.041 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.620 0.865 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 70 3.991 -1.097 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.234 -0.220 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.296 -1.709 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.732 -3.339 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.137 -3.460 -7.811 1.00 0.00 H new ATOM 1174 N ALA A 71 5.181 -3.208 -3.459 1.00 0.00 N ATOM 1175 CA ALA A 71 4.253 -4.140 -2.785 1.00 0.00 C ATOM 1176 C ALA A 71 2.865 -3.522 -2.902 1.00 0.00 C ATOM 1177 O ALA A 71 2.605 -2.488 -2.329 1.00 0.00 O ATOM 1178 CB ALA A 71 4.711 -4.195 -1.326 1.00 0.00 C ATOM 0 H ALA A 71 5.676 -2.561 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 71 4.237 -5.145 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.064 -4.871 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.738 -4.556 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.657 -3.197 -0.890 1.00 0.00 H new ATOM 1184 N ASP A 72 1.990 -4.101 -3.673 1.00 0.00 N ATOM 1185 CA ASP A 72 0.643 -3.487 -3.842 1.00 0.00 C ATOM 1186 C ASP A 72 -0.348 -4.050 -2.824 1.00 0.00 C ATOM 1187 O ASP A 72 -0.106 -5.059 -2.195 1.00 0.00 O ATOM 1188 CB ASP A 72 0.218 -3.857 -5.262 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.659 -2.743 -5.838 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.135 -1.666 -6.071 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.838 -2.986 -6.036 1.00 0.00 O ATOM 0 H ASP A 72 2.146 -4.966 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 72 0.667 -2.409 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.097 -4.004 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.330 -4.799 -5.255 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.468 -3.400 -2.671 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.500 -3.881 -1.712 1.00 0.00 C ATOM 1198 C ILE A 73 -3.849 -3.249 -2.072 1.00 0.00 C ATOM 1199 O ILE A 73 -3.999 -2.044 -2.073 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.007 -3.449 -0.317 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.319 -4.561 0.688 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.695 -2.156 0.141 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.832 -4.649 0.898 1.00 0.00 C ATOM 0 H ILE A 73 -1.714 -2.548 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.641 -4.961 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.934 -3.268 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.936 -5.514 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.821 -4.359 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.326 -1.878 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.476 -1.357 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.772 -2.314 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.055 -5.441 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.202 -3.698 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.319 -4.871 -0.052 1.00 0.00 H new ATOM 1215 N SER A 74 -4.825 -4.043 -2.401 1.00 0.00 N ATOM 1216 CA SER A 74 -6.142 -3.462 -2.778 1.00 0.00 C ATOM 1217 C SER A 74 -7.265 -4.057 -1.919 1.00 0.00 C ATOM 1218 O SER A 74 -7.264 -5.231 -1.606 1.00 0.00 O ATOM 1219 CB SER A 74 -6.332 -3.851 -4.243 1.00 0.00 C ATOM 1220 OG SER A 74 -6.416 -2.674 -5.034 1.00 0.00 O ATOM 0 H SER A 74 -4.771 -5.061 -2.426 1.00 0.00 H new ATOM 0 HA SER A 74 -6.172 -2.383 -2.626 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.499 -4.469 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.238 -4.446 -4.359 1.00 0.00 H new ATOM 0 HG SER A 74 -6.536 -2.920 -5.975 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.226 -3.255 -1.544 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.356 -3.769 -0.714 1.00 0.00 C ATOM 1228 C GLU A 75 -10.605 -2.924 -0.959 1.00 0.00 C ATOM 1229 O GLU A 75 -10.554 -1.710 -0.948 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.885 -3.622 0.734 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.108 -4.872 1.151 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.592 -4.697 2.580 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.827 -3.773 2.804 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.971 -5.489 3.427 1.00 0.00 O ATOM 0 H GLU A 75 -8.278 -2.263 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.613 -4.801 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.254 -2.739 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.741 -3.477 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.751 -5.750 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.274 -5.039 0.469 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.727 -3.550 -1.188 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.971 -2.759 -1.441 1.00 0.00 C ATOM 1243 C ASP A 76 -13.273 -1.827 -0.257 1.00 0.00 C ATOM 1244 O ASP A 76 -12.384 -1.429 0.469 1.00 0.00 O ATOM 1245 CB ASP A 76 -14.073 -3.797 -1.606 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.632 -3.726 -3.028 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.925 -3.246 -3.899 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -15.759 -4.151 -3.222 1.00 0.00 O ATOM 0 H ASP A 76 -11.839 -4.564 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.878 -2.121 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.680 -4.794 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.868 -3.617 -0.882 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.447 -8.468 -0.455 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.106 -7.977 -0.028 1.00 0.00 C ATOM 1367 C LYS A 83 -7.035 -8.687 -0.861 1.00 0.00 C ATOM 1368 O LYS A 83 -7.181 -9.839 -1.216 1.00 0.00 O ATOM 1369 CB LYS A 83 -7.987 -8.356 1.449 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.304 -8.044 2.165 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.233 -9.256 2.075 1.00 0.00 C ATOM 1372 CE LYS A 83 -10.707 -9.644 3.476 1.00 0.00 C ATOM 1373 NZ LYS A 83 -12.083 -9.086 3.585 1.00 0.00 N ATOM 0 HA LYS A 83 -7.980 -6.903 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.751 -9.416 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.169 -7.804 1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.113 -7.796 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.779 -7.174 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.089 -9.024 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.711 -10.093 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.708 -10.726 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.052 -9.231 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.476 -9.312 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.050 -8.054 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.686 -9.502 2.847 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.969 -8.014 -1.190 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.913 -8.664 -2.015 1.00 0.00 C ATOM 1389 C LEU A 84 -3.695 -7.749 -2.101 1.00 0.00 C ATOM 1390 O LEU A 84 -3.808 -6.552 -1.954 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.552 -8.840 -3.393 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.592 -9.594 -4.313 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.220 -10.926 -4.726 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.316 -8.753 -5.562 1.00 0.00 C ATOM 0 H LEU A 84 -5.783 -7.047 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.574 -9.613 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.490 -9.388 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.792 -7.866 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.657 -9.781 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.535 -11.463 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.417 -11.526 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.156 -10.739 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.631 -9.290 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.252 -8.566 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.868 -7.803 -5.270 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.537 -8.293 -2.344 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.325 -7.432 -2.444 1.00 0.00 C ATOM 1408 C LEU A 85 -0.395 -7.969 -3.541 1.00 0.00 C ATOM 1409 O LEU A 85 -0.557 -9.075 -4.016 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.689 -7.487 -1.041 1.00 0.00 C ATOM 1411 CG LEU A 85 0.587 -8.337 -1.033 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.365 -8.052 0.250 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.211 -9.822 -1.089 1.00 0.00 C ATOM 0 H LEU A 85 -2.376 -9.291 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.544 -6.402 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.456 -6.476 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.406 -7.900 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 85 1.203 -8.090 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.275 -8.652 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.627 -6.995 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.749 -8.305 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.117 -10.427 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.400 -10.076 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.352 -10.021 -2.001 1.00 0.00 H new ATOM 1425 N ARG A 86 0.573 -7.192 -3.953 1.00 0.00 N ATOM 1426 CA ARG A 86 1.496 -7.668 -5.025 1.00 0.00 C ATOM 1427 C ARG A 86 2.955 -7.355 -4.678 1.00 0.00 C ATOM 1428 O ARG A 86 3.268 -6.888 -3.602 1.00 0.00 O ATOM 1429 CB ARG A 86 1.082 -6.897 -6.279 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.356 -7.255 -6.653 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.348 -8.230 -7.834 1.00 0.00 C ATOM 1432 NE ARG A 86 -1.699 -8.856 -7.825 1.00 0.00 N ATOM 1433 CZ ARG A 86 -1.972 -9.829 -8.652 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.318 -9.562 -9.882 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -1.900 -11.068 -8.249 1.00 0.00 N ATOM 0 H ARG A 86 0.763 -6.255 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 86 1.430 -8.748 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.166 -5.825 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.753 -7.138 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.864 -7.705 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.910 -6.354 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.160 -7.711 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.435 -8.980 -7.722 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.411 -8.525 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.375 -8.594 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.531 -10.322 -10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.630 -11.277 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.113 -11.828 -8.895 1.00 0.00 H new ATOM 1449 N PHE A 87 3.843 -7.619 -5.599 1.00 0.00 N ATOM 1450 CA PHE A 87 5.297 -7.355 -5.379 1.00 0.00 C ATOM 1451 C PHE A 87 5.983 -7.224 -6.741 1.00 0.00 C ATOM 1452 O PHE A 87 6.860 -7.995 -7.073 1.00 0.00 O ATOM 1453 CB PHE A 87 5.834 -8.588 -4.638 1.00 0.00 C ATOM 1454 CG PHE A 87 4.914 -8.948 -3.495 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.845 -9.827 -3.711 1.00 0.00 C ATOM 1456 CD2 PHE A 87 5.123 -8.400 -2.221 1.00 0.00 C ATOM 1457 CE1 PHE A 87 2.987 -10.157 -2.658 1.00 0.00 C ATOM 1458 CE2 PHE A 87 4.262 -8.735 -1.168 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.196 -9.611 -1.389 1.00 0.00 C ATOM 0 H PHE A 87 3.618 -8.014 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 87 5.476 -6.441 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.917 -9.429 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.836 -8.386 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.684 -10.250 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.946 -7.721 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.162 -10.834 -2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.422 -8.316 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.532 -9.867 -0.577 1.00 0.00 H new ATOM 1469 N ASN A 88 5.591 -6.263 -7.546 1.00 0.00 N ATOM 1470 CA ASN A 88 6.245 -6.131 -8.881 1.00 0.00 C ATOM 1471 C ASN A 88 6.215 -4.694 -9.385 1.00 0.00 C ATOM 1472 O ASN A 88 6.145 -3.750 -8.623 1.00 0.00 O ATOM 1473 CB ASN A 88 5.468 -7.013 -9.844 1.00 0.00 C ATOM 1474 CG ASN A 88 5.022 -8.300 -9.144 1.00 0.00 C ATOM 1475 OD1 ASN A 88 5.809 -9.206 -8.954 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.784 -8.420 -8.752 1.00 0.00 N ATOM 0 H ASN A 88 4.862 -5.580 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 88 7.291 -6.427 -8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.598 -6.475 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.089 -7.256 -10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.477 -9.274 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.123 -7.660 -8.911 1.00 0.00 H new ATOM 1483 N GLY A 89 6.319 -4.528 -10.675 1.00 0.00 N ATOM 1484 CA GLY A 89 6.374 -3.157 -11.235 1.00 0.00 C ATOM 1485 C GLY A 89 7.718 -2.596 -10.790 1.00 0.00 C ATOM 1486 O GLY A 89 7.797 -1.528 -10.217 1.00 0.00 O ATOM 0 H GLY A 89 6.368 -5.282 -11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.294 -3.172 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.551 -2.547 -10.864 1.00 0.00 H new ATOM 1490 N PRO A 90 8.736 -3.392 -11.020 1.00 0.00 N ATOM 1491 CA PRO A 90 10.102 -3.033 -10.583 1.00 0.00 C ATOM 1492 C PRO A 90 10.663 -1.850 -11.371 1.00 0.00 C ATOM 1493 O PRO A 90 9.964 -1.182 -12.107 1.00 0.00 O ATOM 1494 CB PRO A 90 10.917 -4.295 -10.856 1.00 0.00 C ATOM 1495 CG PRO A 90 10.168 -5.004 -11.933 1.00 0.00 C ATOM 1496 CD PRO A 90 8.714 -4.689 -11.716 1.00 0.00 C ATOM 0 HA PRO A 90 10.126 -2.722 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.931 -4.051 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.003 -4.912 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.495 -4.670 -12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.344 -6.079 -11.886 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.173 -4.627 -12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.223 -5.456 -11.117 1.00 0.00 H new ATOM 1504 N VAL A 91 11.934 -1.595 -11.213 1.00 0.00 N ATOM 1505 CA VAL A 91 12.579 -0.470 -11.931 1.00 0.00 C ATOM 1506 C VAL A 91 12.684 -0.785 -13.427 1.00 0.00 C ATOM 1507 O VAL A 91 12.806 -1.952 -13.759 1.00 0.00 O ATOM 1508 CB VAL A 91 13.966 -0.378 -11.299 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.839 0.089 -9.846 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.636 -1.754 -11.329 1.00 0.00 C ATOM 0 H VAL A 91 12.557 -2.129 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 91 12.020 0.463 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 91 14.569 0.335 -11.861 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.830 0.154 -9.397 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.363 1.069 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.233 -0.624 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.626 -1.687 -10.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.030 -2.466 -10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.730 -2.090 -12.362 1.00 0.00 H new