USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 180:sc= -0.144 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.0204 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0.00121 USER MOD Set 2.2: A 84 ASN : amide:sc= -0.387 X(o=-0.39,f=0.062) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 94:sc= 1.17 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.3) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.0317 (180deg=-0.491) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -4.09 K(o=-4.1,f=-5.2!) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.426 (180deg=-0.532) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.183 USER MOD Single : A 73 SER OG : rot -3:sc= 0.321 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 76 TYR OH : rot 96:sc= 0.255 USER MOD Single : A 77 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : A 79 THR OG1 : rot 128:sc= 0.298 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.05! C(o=-4.1!,f=-8.2!) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.0701 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.743 8.741 -12.479 1.00 0.00 N ATOM 2 CA ARG A 1 7.174 8.801 -12.878 1.00 0.00 C ATOM 3 C ARG A 1 8.046 9.297 -11.730 1.00 0.00 C ATOM 4 O ARG A 1 8.411 10.472 -11.676 1.00 0.00 O ATOM 5 CB ARG A 1 7.306 9.735 -14.083 1.00 0.00 C ATOM 6 CG ARG A 1 8.730 9.864 -14.598 1.00 0.00 C ATOM 7 CD ARG A 1 8.952 11.199 -15.292 1.00 0.00 C ATOM 8 NE ARG A 1 9.379 12.237 -14.357 1.00 0.00 N ATOM 9 CZ ARG A 1 9.768 13.454 -14.729 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.787 13.790 -16.013 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.141 14.339 -13.814 1.00 0.00 N ATOM 0 H1 ARG A 1 5.173 8.400 -13.280 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.634 8.091 -11.675 1.00 0.00 H new ATOM 0 H3 ARG A 1 5.419 9.690 -12.203 1.00 0.00 H new ATOM 0 HA ARG A 1 7.514 7.799 -13.140 1.00 0.00 H new ATOM 0 HB2 ARG A 1 6.669 9.369 -14.888 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.937 10.723 -13.809 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.429 9.764 -13.768 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.942 9.052 -15.293 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.704 11.082 -16.072 1.00 0.00 H new ATOM 0 HD3 ARG A 1 8.030 11.510 -15.783 1.00 0.00 H new ATOM 0 HE ARG A 1 9.379 12.016 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.502 13.114 -16.721 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.086 14.725 -16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.130 14.087 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.439 15.272 -14.099 1.00 0.00 H new ATOM 27 N ASP A 2 8.378 8.395 -10.811 1.00 0.00 N ATOM 28 CA ASP A 2 9.207 8.742 -9.663 1.00 0.00 C ATOM 29 C ASP A 2 8.541 9.821 -8.817 1.00 0.00 C ATOM 30 O ASP A 2 8.883 10.999 -8.915 1.00 0.00 O ATOM 31 CB ASP A 2 10.585 9.219 -10.129 1.00 0.00 C ATOM 32 CG ASP A 2 11.672 8.922 -9.114 1.00 0.00 C ATOM 33 OD1 ASP A 2 11.579 9.432 -7.979 1.00 0.00 O ATOM 34 OD2 ASP A 2 12.615 8.179 -9.457 1.00 0.00 O ATOM 0 H ASP A 2 8.085 7.418 -10.840 1.00 0.00 H new ATOM 0 HA ASP A 2 9.327 7.849 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.833 8.737 -11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.551 10.292 -10.317 1.00 0.00 H new ATOM 39 N SER A 3 7.589 9.410 -7.986 1.00 0.00 N ATOM 40 CA SER A 3 6.875 10.343 -7.121 1.00 0.00 C ATOM 41 C SER A 3 7.507 10.392 -5.733 1.00 0.00 C ATOM 42 O SER A 3 7.483 11.426 -5.066 1.00 0.00 O ATOM 43 CB SER A 3 5.403 9.941 -7.009 1.00 0.00 C ATOM 44 OG SER A 3 4.985 9.211 -8.149 1.00 0.00 O ATOM 0 H SER A 3 7.294 8.438 -7.893 1.00 0.00 H new ATOM 0 HA SER A 3 6.942 11.336 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.255 9.338 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.787 10.833 -6.899 1.00 0.00 H new ATOM 0 HG SER A 3 5.074 8.251 -7.973 1.00 0.00 H new ATOM 50 N GLY A 4 8.073 9.268 -5.306 1.00 0.00 N ATOM 51 CA GLY A 4 8.703 9.205 -4.001 1.00 0.00 C ATOM 52 C GLY A 4 9.806 8.166 -3.939 1.00 0.00 C ATOM 53 O GLY A 4 9.897 7.295 -4.803 1.00 0.00 O ATOM 0 H GLY A 4 8.106 8.400 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.115 10.183 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.949 8.976 -3.248 1.00 0.00 H new ATOM 57 N THR A 5 10.648 8.261 -2.915 1.00 0.00 N ATOM 58 CA THR A 5 11.753 7.326 -2.742 1.00 0.00 C ATOM 59 C THR A 5 11.933 6.965 -1.279 1.00 0.00 C ATOM 60 O THR A 5 11.606 7.745 -0.385 1.00 0.00 O ATOM 61 CB THR A 5 13.044 7.926 -3.293 1.00 0.00 C ATOM 62 OG1 THR A 5 12.808 8.580 -4.528 1.00 0.00 O ATOM 63 CG2 THR A 5 14.132 6.899 -3.517 1.00 0.00 C ATOM 0 H THR A 5 10.586 8.977 -2.192 1.00 0.00 H new ATOM 0 HA THR A 5 11.517 6.417 -3.295 1.00 0.00 H new ATOM 0 HB THR A 5 13.382 8.630 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.647 8.959 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.022 7.391 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.373 6.412 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.786 6.152 -4.232 1.00 0.00 H new ATOM 71 N VAL A 6 12.449 5.769 -1.049 1.00 0.00 N ATOM 72 CA VAL A 6 12.672 5.279 0.298 1.00 0.00 C ATOM 73 C VAL A 6 13.956 4.457 0.368 1.00 0.00 C ATOM 74 O VAL A 6 14.354 3.826 -0.612 1.00 0.00 O ATOM 75 CB VAL A 6 11.486 4.416 0.764 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.700 2.991 0.351 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.272 4.526 2.269 1.00 0.00 C ATOM 0 H VAL A 6 12.722 5.117 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 6 12.766 6.143 0.956 1.00 0.00 H new ATOM 0 HB VAL A 6 10.581 4.788 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.857 2.385 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.781 2.935 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.618 2.615 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.427 3.904 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.169 4.189 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.068 5.564 2.533 1.00 0.00 H new ATOM 87 N TRP A 7 14.588 4.453 1.533 1.00 0.00 N ATOM 88 CA TRP A 7 15.815 3.694 1.726 1.00 0.00 C ATOM 89 C TRP A 7 15.638 2.664 2.833 1.00 0.00 C ATOM 90 O TRP A 7 15.164 2.984 3.924 1.00 0.00 O ATOM 91 CB TRP A 7 16.971 4.638 2.050 1.00 0.00 C ATOM 92 CG TRP A 7 17.239 5.624 0.955 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.613 6.822 0.759 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.194 5.491 -0.102 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.122 7.443 -0.357 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.096 6.646 -0.901 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.125 4.508 -0.449 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.894 6.843 -2.025 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.916 4.705 -1.565 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.796 5.865 -2.341 1.00 0.00 C ATOM 0 H TRP A 7 14.272 4.965 2.357 1.00 0.00 H new ATOM 0 HA TRP A 7 16.047 3.164 0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.747 5.176 2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.872 4.052 2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.832 7.223 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.824 8.348 -0.721 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.224 3.611 0.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.804 7.736 -2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.639 3.952 -1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.429 5.990 -3.207 1.00 0.00 H new ATOM 111 N GLY A 8 16.014 1.422 2.545 1.00 0.00 N ATOM 112 CA GLY A 8 15.878 0.362 3.536 1.00 0.00 C ATOM 113 C GLY A 8 16.943 -0.708 3.405 1.00 0.00 C ATOM 114 O GLY A 8 17.815 -0.619 2.540 1.00 0.00 O ATOM 0 H GLY A 8 16.408 1.129 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.928 0.796 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.895 -0.097 3.437 1.00 0.00 H new ATOM 118 N ALA A 9 16.875 -1.723 4.263 1.00 0.00 N ATOM 119 CA ALA A 9 17.845 -2.811 4.233 1.00 0.00 C ATOM 120 C ALA A 9 17.154 -4.167 4.279 1.00 0.00 C ATOM 121 O ALA A 9 16.239 -4.387 5.072 1.00 0.00 O ATOM 122 CB ALA A 9 18.827 -2.682 5.384 1.00 0.00 C ATOM 0 H ALA A 9 16.160 -1.813 4.985 1.00 0.00 H new ATOM 0 HA ALA A 9 18.394 -2.742 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.543 -3.503 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.358 -1.733 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.286 -2.717 6.330 1.00 0.00 H new ATOM 128 N LEU A 10 17.604 -5.075 3.422 1.00 0.00 N ATOM 129 CA LEU A 10 17.034 -6.418 3.359 1.00 0.00 C ATOM 130 C LEU A 10 17.023 -7.072 4.734 1.00 0.00 C ATOM 131 O LEU A 10 17.999 -6.992 5.480 1.00 0.00 O ATOM 132 CB LEU A 10 17.832 -7.280 2.375 1.00 0.00 C ATOM 133 CG LEU A 10 17.003 -8.171 1.444 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.556 -7.390 0.219 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.809 -9.390 1.033 1.00 0.00 C ATOM 0 H LEU A 10 18.362 -4.907 2.760 1.00 0.00 H new ATOM 0 HA LEU A 10 16.004 -6.336 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.449 -6.622 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.511 -7.915 2.945 1.00 0.00 H new ATOM 0 HG LEU A 10 16.114 -8.505 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.968 -8.038 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.948 -6.541 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.431 -7.030 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.210 -10.016 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.711 -9.071 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.085 -9.960 1.920 1.00 0.00 H new ATOM 147 N GLY A 11 15.910 -7.717 5.064 1.00 0.00 N ATOM 148 CA GLY A 11 15.791 -8.374 6.349 1.00 0.00 C ATOM 149 C GLY A 11 15.289 -7.444 7.438 1.00 0.00 C ATOM 150 O GLY A 11 14.969 -7.890 8.538 1.00 0.00 O ATOM 0 H GLY A 11 15.089 -7.796 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.111 -9.221 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.762 -8.775 6.639 1.00 0.00 H new ATOM 154 N HIS A 12 15.219 -6.147 7.137 1.00 0.00 N ATOM 155 CA HIS A 12 14.753 -5.171 8.104 1.00 0.00 C ATOM 156 C HIS A 12 13.358 -4.679 7.717 1.00 0.00 C ATOM 157 O HIS A 12 12.880 -4.955 6.614 1.00 0.00 O ATOM 158 CB HIS A 12 15.771 -4.022 8.189 1.00 0.00 C ATOM 159 CG HIS A 12 15.184 -2.662 8.381 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.853 -1.851 7.326 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.901 -1.962 9.503 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.391 -0.700 7.785 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.409 -0.742 9.105 1.00 0.00 N ATOM 0 H HIS A 12 15.480 -5.755 6.232 1.00 0.00 H new ATOM 0 HA HIS A 12 14.672 -5.624 9.092 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.455 -4.224 9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.366 -4.017 7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.036 -2.298 10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.056 0.132 7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.107 0.008 9.727 1.00 0.00 H new ATOM 172 N GLY A 13 12.704 -3.967 8.627 1.00 0.00 N ATOM 173 CA GLY A 13 11.366 -3.465 8.356 1.00 0.00 C ATOM 174 C GLY A 13 11.367 -2.329 7.354 1.00 0.00 C ATOM 175 O GLY A 13 12.392 -2.040 6.745 1.00 0.00 O ATOM 0 H GLY A 13 13.074 -3.727 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.745 -4.278 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.913 -3.124 9.287 1.00 0.00 H new ATOM 179 N ILE A 14 10.212 -1.686 7.187 1.00 0.00 N ATOM 180 CA ILE A 14 10.062 -0.565 6.256 1.00 0.00 C ATOM 181 C ILE A 14 8.586 -0.324 5.945 1.00 0.00 C ATOM 182 O ILE A 14 7.824 -1.269 5.725 1.00 0.00 O ATOM 183 CB ILE A 14 10.835 -0.797 4.936 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.755 0.437 4.036 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.307 -2.023 4.214 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.011 1.281 4.068 1.00 0.00 C ATOM 0 H ILE A 14 9.357 -1.925 7.690 1.00 0.00 H new ATOM 0 HA ILE A 14 10.484 0.313 6.744 1.00 0.00 H new ATOM 0 HB ILE A 14 11.883 -0.970 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.565 0.119 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.906 1.048 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.864 -2.168 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.426 -2.900 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.251 -1.883 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.889 2.140 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.191 1.627 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.859 0.684 3.733 1.00 0.00 H new ATOM 198 N ASP A 15 8.184 0.943 5.944 1.00 0.00 N ATOM 199 CA ASP A 15 6.796 1.300 5.673 1.00 0.00 C ATOM 200 C ASP A 15 6.690 2.276 4.505 1.00 0.00 C ATOM 201 O ASP A 15 7.374 3.298 4.470 1.00 0.00 O ATOM 202 CB ASP A 15 6.162 1.915 6.924 1.00 0.00 C ATOM 203 CG ASP A 15 4.688 2.225 6.740 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.203 2.156 5.592 1.00 0.00 O ATOM 205 OD2 ASP A 15 4.019 2.539 7.746 1.00 0.00 O ATOM 0 H ASP A 15 8.797 1.737 6.127 1.00 0.00 H new ATOM 0 HA ASP A 15 6.261 0.390 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.283 1.229 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.693 2.831 7.182 1.00 0.00 H new ATOM 210 N LEU A 16 5.811 1.958 3.559 1.00 0.00 N ATOM 211 CA LEU A 16 5.592 2.811 2.393 1.00 0.00 C ATOM 212 C LEU A 16 4.594 3.911 2.741 1.00 0.00 C ATOM 213 O LEU A 16 3.574 3.649 3.380 1.00 0.00 O ATOM 214 CB LEU A 16 5.059 1.979 1.211 1.00 0.00 C ATOM 215 CG LEU A 16 6.055 1.613 0.084 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.430 2.234 0.286 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.177 0.101 -0.043 1.00 0.00 C ATOM 0 H LEU A 16 5.238 1.115 3.576 1.00 0.00 H new ATOM 0 HA LEU A 16 6.542 3.261 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.649 1.052 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.230 2.526 0.762 1.00 0.00 H new ATOM 0 HG LEU A 16 5.651 2.028 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.085 1.942 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.339 3.320 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.852 1.885 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.881 -0.142 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.536 -0.315 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.201 -0.324 -0.279 1.00 0.00 H new ATOM 229 N ASP A 17 4.887 5.141 2.330 1.00 0.00 N ATOM 230 CA ASP A 17 4.000 6.262 2.620 1.00 0.00 C ATOM 231 C ASP A 17 3.424 6.872 1.348 1.00 0.00 C ATOM 232 O ASP A 17 4.156 7.322 0.467 1.00 0.00 O ATOM 233 CB ASP A 17 4.735 7.335 3.420 1.00 0.00 C ATOM 234 CG ASP A 17 5.184 6.837 4.780 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.379 6.170 5.464 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.341 7.114 5.161 1.00 0.00 O ATOM 0 H ASP A 17 5.724 5.385 1.800 1.00 0.00 H new ATOM 0 HA ASP A 17 3.172 5.873 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.604 7.674 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.082 8.198 3.550 1.00 0.00 H new ATOM 241 N ILE A 18 2.099 6.886 1.273 1.00 0.00 N ATOM 242 CA ILE A 18 1.387 7.438 0.128 1.00 0.00 C ATOM 243 C ILE A 18 1.279 8.960 0.224 1.00 0.00 C ATOM 244 O ILE A 18 0.699 9.485 1.174 1.00 0.00 O ATOM 245 CB ILE A 18 -0.028 6.843 0.041 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.050 5.318 -0.015 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.776 7.391 -1.169 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.161 4.681 -0.649 1.00 0.00 C ATOM 0 H ILE A 18 1.489 6.516 2.002 1.00 0.00 H new ATOM 0 HA ILE A 18 1.954 7.179 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.582 7.133 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.939 5.027 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.168 4.930 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.774 6.955 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.857 8.475 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.233 7.136 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.040 3.598 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.051 4.943 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.268 5.041 -1.672 1.00 0.00 H new ATOM 260 N PRO A 19 1.837 9.694 -0.756 1.00 0.00 N ATOM 261 CA PRO A 19 1.793 11.160 -0.761 1.00 0.00 C ATOM 262 C PRO A 19 0.368 11.715 -0.771 1.00 0.00 C ATOM 263 O PRO A 19 -0.466 11.311 -1.581 1.00 0.00 O ATOM 264 CB PRO A 19 2.521 11.542 -2.056 1.00 0.00 C ATOM 265 CG PRO A 19 3.346 10.350 -2.400 1.00 0.00 C ATOM 266 CD PRO A 19 2.561 9.162 -1.927 1.00 0.00 C ATOM 0 HA PRO A 19 2.247 11.572 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.814 11.776 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.144 12.425 -1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.528 10.297 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.320 10.394 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.877 8.797 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.211 8.329 -1.657 1.00 0.00 H new ATOM 274 N ASN A 20 0.113 12.658 0.132 1.00 0.00 N ATOM 275 CA ASN A 20 -1.195 13.310 0.247 1.00 0.00 C ATOM 276 C ASN A 20 -2.367 12.328 0.134 1.00 0.00 C ATOM 277 O ASN A 20 -3.162 12.406 -0.804 1.00 0.00 O ATOM 278 CB ASN A 20 -1.330 14.397 -0.822 1.00 0.00 C ATOM 279 CG ASN A 20 -0.393 15.564 -0.581 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.394 15.934 -1.453 1.00 0.00 O ATOM 281 ND2 ASN A 20 -0.472 16.151 0.608 1.00 0.00 N ATOM 0 H ASN A 20 0.803 12.993 0.804 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.241 13.749 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.125 13.966 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.358 14.758 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.134 16.941 0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.139 15.811 1.301 1.00 0.00 H new ATOM 288 N PHE A 21 -2.483 11.417 1.099 1.00 0.00 N ATOM 289 CA PHE A 21 -3.564 10.447 1.108 1.00 0.00 C ATOM 290 C PHE A 21 -4.066 10.216 2.533 1.00 0.00 C ATOM 291 O PHE A 21 -3.303 10.318 3.494 1.00 0.00 O ATOM 292 CB PHE A 21 -3.084 9.139 0.486 1.00 0.00 C ATOM 293 CG PHE A 21 -3.863 7.929 0.907 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.186 7.782 0.541 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.270 6.951 1.679 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.908 6.672 0.939 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.981 5.838 2.081 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.304 5.698 1.710 1.00 0.00 C ATOM 0 H PHE A 21 -1.837 11.335 1.884 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.395 10.834 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.133 9.228 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.036 8.990 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.662 8.541 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.236 7.058 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.943 6.567 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.504 5.079 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.865 4.829 2.022 1.00 0.00 H new ATOM 308 N GLN A 22 -5.351 9.904 2.661 1.00 0.00 N ATOM 309 CA GLN A 22 -5.952 9.660 3.967 1.00 0.00 C ATOM 310 C GLN A 22 -6.891 8.460 3.919 1.00 0.00 C ATOM 311 O GLN A 22 -7.894 8.471 3.205 1.00 0.00 O ATOM 312 CB GLN A 22 -6.712 10.899 4.442 1.00 0.00 C ATOM 313 CG GLN A 22 -5.854 11.873 5.233 1.00 0.00 C ATOM 314 CD GLN A 22 -6.170 13.321 4.912 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.229 13.632 4.368 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.247 14.216 5.248 1.00 0.00 N ATOM 0 H GLN A 22 -5.996 9.814 1.876 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.150 9.442 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.127 11.414 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.553 10.584 5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.003 11.700 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.802 11.679 5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.383 13.913 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.403 15.206 5.056 1.00 0.00 H new ATOM 325 N MET A 23 -6.561 7.424 4.685 1.00 0.00 N ATOM 326 CA MET A 23 -7.376 6.217 4.731 1.00 0.00 C ATOM 327 C MET A 23 -8.590 6.412 5.634 1.00 0.00 C ATOM 328 O MET A 23 -8.629 5.910 6.758 1.00 0.00 O ATOM 329 CB MET A 23 -6.542 5.032 5.225 1.00 0.00 C ATOM 330 CG MET A 23 -7.315 3.724 5.274 1.00 0.00 C ATOM 331 SD MET A 23 -6.967 2.658 3.862 1.00 0.00 S ATOM 332 CE MET A 23 -7.560 1.083 4.474 1.00 0.00 C ATOM 0 H MET A 23 -5.734 7.397 5.282 1.00 0.00 H new ATOM 0 HA MET A 23 -7.729 6.009 3.721 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.677 4.910 4.573 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.160 5.257 6.221 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.067 3.194 6.194 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.383 3.939 5.308 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.413 0.318 3.712 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.007 0.810 5.373 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.621 1.161 4.710 1.00 0.00 H new ATOM 342 N THR A 24 -9.579 7.147 5.135 1.00 0.00 N ATOM 343 CA THR A 24 -10.795 7.410 5.896 1.00 0.00 C ATOM 344 C THR A 24 -11.971 6.619 5.333 1.00 0.00 C ATOM 345 O THR A 24 -11.803 5.787 4.442 1.00 0.00 O ATOM 346 CB THR A 24 -11.116 8.905 5.882 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.469 9.330 4.577 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.966 9.769 6.350 1.00 0.00 C ATOM 0 H THR A 24 -9.562 7.571 4.207 1.00 0.00 H new ATOM 0 HA THR A 24 -10.627 7.092 6.925 1.00 0.00 H new ATOM 0 HB THR A 24 -11.947 9.028 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.672 10.289 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.261 10.818 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.702 9.500 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.105 9.613 5.700 1.00 0.00 H new ATOM 356 N ASP A 25 -13.163 6.886 5.858 1.00 0.00 N ATOM 357 CA ASP A 25 -14.368 6.199 5.407 1.00 0.00 C ATOM 358 C ASP A 25 -14.610 6.442 3.920 1.00 0.00 C ATOM 359 O ASP A 25 -15.135 5.578 3.218 1.00 0.00 O ATOM 360 CB ASP A 25 -15.580 6.668 6.215 1.00 0.00 C ATOM 361 CG ASP A 25 -15.522 6.215 7.661 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.904 5.058 7.936 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.093 7.017 8.517 1.00 0.00 O ATOM 0 H ASP A 25 -13.320 7.573 6.596 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.226 5.130 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.637 7.756 6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.491 6.286 5.754 1.00 0.00 H new ATOM 368 N ASP A 26 -14.220 7.621 3.448 1.00 0.00 N ATOM 369 CA ASP A 26 -14.392 7.978 2.044 1.00 0.00 C ATOM 370 C ASP A 26 -13.657 6.995 1.136 1.00 0.00 C ATOM 371 O ASP A 26 -14.041 6.795 -0.017 1.00 0.00 O ATOM 372 CB ASP A 26 -13.887 9.400 1.792 1.00 0.00 C ATOM 373 CG ASP A 26 -14.305 9.929 0.434 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.488 9.757 0.069 1.00 0.00 O ATOM 375 OD2 ASP A 26 -13.452 10.515 -0.264 1.00 0.00 O ATOM 0 H ASP A 26 -13.783 8.346 4.017 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.456 7.931 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.269 10.061 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.800 9.415 1.866 1.00 0.00 H new ATOM 380 N ILE A 27 -12.600 6.386 1.663 1.00 0.00 N ATOM 381 CA ILE A 27 -11.813 5.428 0.906 1.00 0.00 C ATOM 382 C ILE A 27 -12.520 4.065 0.864 1.00 0.00 C ATOM 383 O ILE A 27 -12.913 3.542 1.906 1.00 0.00 O ATOM 384 CB ILE A 27 -10.411 5.276 1.536 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.661 6.613 1.491 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.608 4.194 0.830 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.733 7.311 0.149 1.00 0.00 C ATOM 0 H ILE A 27 -12.270 6.542 2.616 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.706 5.797 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.537 4.977 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.069 7.274 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.615 6.441 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.625 4.109 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.131 3.241 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.491 4.456 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.179 8.249 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.297 6.671 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.774 7.517 -0.099 1.00 0.00 H new ATOM 399 N ASP A 28 -12.699 3.496 -0.335 1.00 0.00 N ATOM 400 CA ASP A 28 -13.375 2.215 -0.472 1.00 0.00 C ATOM 401 C ASP A 28 -12.418 1.116 -0.911 1.00 0.00 C ATOM 402 O ASP A 28 -12.464 0.008 -0.379 1.00 0.00 O ATOM 403 CB ASP A 28 -14.523 2.331 -1.475 1.00 0.00 C ATOM 404 CG ASP A 28 -15.751 1.556 -1.040 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.442 2.013 -0.106 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.022 0.491 -1.634 1.00 0.00 O ATOM 0 H ASP A 28 -12.385 3.905 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.770 1.945 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.786 3.381 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.191 1.965 -2.447 1.00 0.00 H new ATOM 411 N GLU A 29 -11.561 1.404 -1.892 1.00 0.00 N ATOM 412 CA GLU A 29 -10.630 0.387 -2.376 1.00 0.00 C ATOM 413 C GLU A 29 -9.188 0.896 -2.443 1.00 0.00 C ATOM 414 O GLU A 29 -8.873 1.798 -3.219 1.00 0.00 O ATOM 415 CB GLU A 29 -11.075 -0.111 -3.755 1.00 0.00 C ATOM 416 CG GLU A 29 -10.183 -1.196 -4.339 1.00 0.00 C ATOM 417 CD GLU A 29 -10.640 -1.647 -5.713 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.826 -1.437 -6.043 1.00 0.00 O ATOM 419 OE2 GLU A 29 -9.811 -2.210 -6.459 1.00 0.00 O ATOM 0 H GLU A 29 -11.493 2.310 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.647 -0.435 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.093 -0.493 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.101 0.733 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.160 -0.825 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.169 -2.052 -3.665 1.00 0.00 H new ATOM 426 N VAL A 30 -8.310 0.287 -1.640 1.00 0.00 N ATOM 427 CA VAL A 30 -6.893 0.652 -1.624 1.00 0.00 C ATOM 428 C VAL A 30 -6.058 -0.498 -2.181 1.00 0.00 C ATOM 429 O VAL A 30 -5.968 -1.561 -1.567 1.00 0.00 O ATOM 430 CB VAL A 30 -6.393 0.993 -0.202 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.103 1.797 -0.271 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.459 1.750 0.578 1.00 0.00 C ATOM 0 H VAL A 30 -8.557 -0.461 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.782 1.542 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.189 0.060 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.764 2.029 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.338 1.215 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.281 2.724 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.085 1.980 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.700 2.677 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.356 1.136 0.659 1.00 0.00 H new ATOM 442 N ARG A 31 -5.469 -0.296 -3.358 1.00 0.00 N ATOM 443 CA ARG A 31 -4.670 -1.343 -3.994 1.00 0.00 C ATOM 444 C ARG A 31 -3.177 -1.032 -3.958 1.00 0.00 C ATOM 445 O ARG A 31 -2.743 0.049 -4.348 1.00 0.00 O ATOM 446 CB ARG A 31 -5.112 -1.554 -5.449 1.00 0.00 C ATOM 447 CG ARG A 31 -6.556 -1.160 -5.721 1.00 0.00 C ATOM 448 CD ARG A 31 -6.892 -1.265 -7.199 1.00 0.00 C ATOM 449 NE ARG A 31 -6.407 -2.512 -7.787 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.260 -2.707 -9.096 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.558 -1.741 -9.955 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.813 -3.872 -9.545 1.00 0.00 N ATOM 0 H ARG A 31 -5.528 0.574 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.839 -2.256 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.459 -0.976 -6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.977 -2.604 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.224 -1.803 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.726 -0.139 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.972 -1.199 -7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.454 -0.420 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.167 -3.278 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.902 -0.843 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.443 -1.896 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.582 -4.617 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.700 -4.023 -10.547 1.00 0.00 H new ATOM 466 N TRP A 32 -2.399 -2.014 -3.514 1.00 0.00 N ATOM 467 CA TRP A 32 -0.948 -1.894 -3.449 1.00 0.00 C ATOM 468 C TRP A 32 -0.328 -2.852 -4.458 1.00 0.00 C ATOM 469 O TRP A 32 0.020 -3.985 -4.121 1.00 0.00 O ATOM 470 CB TRP A 32 -0.441 -2.220 -2.040 1.00 0.00 C ATOM 471 CG TRP A 32 -0.602 -1.098 -1.055 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.684 -0.848 -0.258 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.360 -0.081 -0.757 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.451 0.264 0.518 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.204 0.755 0.228 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.642 0.203 -1.228 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.477 1.856 0.747 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.315 1.296 -0.713 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.731 2.110 0.266 1.00 0.00 C ATOM 0 H TRP A 32 -2.756 -2.913 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.662 -0.869 -3.685 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.973 -3.095 -1.668 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.614 -2.489 -2.098 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.589 -1.437 -0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.100 0.659 1.198 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.101 -0.420 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.029 2.485 1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.307 1.526 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.283 2.956 0.649 1.00 0.00 H new ATOM 490 N GLU A 33 -0.223 -2.406 -5.706 1.00 0.00 N ATOM 491 CA GLU A 33 0.319 -3.245 -6.766 1.00 0.00 C ATOM 492 C GLU A 33 1.758 -2.883 -7.109 1.00 0.00 C ATOM 493 O GLU A 33 2.194 -1.747 -6.922 1.00 0.00 O ATOM 494 CB GLU A 33 -0.553 -3.137 -8.018 1.00 0.00 C ATOM 495 CG GLU A 33 -2.009 -3.497 -7.779 1.00 0.00 C ATOM 496 CD GLU A 33 -2.965 -2.585 -8.523 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.288 -1.503 -7.990 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.388 -2.951 -9.640 1.00 0.00 O ATOM 0 H GLU A 33 -0.505 -1.473 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 33 0.316 -4.271 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.498 -2.118 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.148 -3.791 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.180 -4.528 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.221 -3.446 -6.711 1.00 0.00 H new ATOM 505 N ARG A 34 2.480 -3.869 -7.629 1.00 0.00 N ATOM 506 CA ARG A 34 3.869 -3.691 -8.028 1.00 0.00 C ATOM 507 C ARG A 34 4.151 -4.514 -9.279 1.00 0.00 C ATOM 508 O ARG A 34 4.017 -5.740 -9.268 1.00 0.00 O ATOM 509 CB ARG A 34 4.811 -4.110 -6.898 1.00 0.00 C ATOM 510 CG ARG A 34 6.116 -3.332 -6.875 1.00 0.00 C ATOM 511 CD ARG A 34 7.066 -3.865 -5.814 1.00 0.00 C ATOM 512 NE ARG A 34 7.494 -5.234 -6.099 1.00 0.00 N ATOM 513 CZ ARG A 34 6.829 -6.320 -5.708 1.00 0.00 C ATOM 514 NH1 ARG A 34 5.701 -6.207 -5.016 1.00 0.00 N ATOM 515 NH2 ARG A 34 7.293 -7.525 -6.010 1.00 0.00 N ATOM 0 H ARG A 34 2.120 -4.810 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 34 4.041 -2.637 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.302 -3.977 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.033 -5.173 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.593 -3.390 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.909 -2.279 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.941 -3.217 -5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.577 -3.833 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 34 8.355 -5.365 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.338 -5.284 -4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.198 -7.044 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.159 -7.620 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.784 -8.357 -5.711 1.00 0.00 H new ATOM 529 N GLY A 35 4.519 -3.840 -10.364 1.00 0.00 N ATOM 530 CA GLY A 35 4.789 -4.542 -11.603 1.00 0.00 C ATOM 531 C GLY A 35 3.593 -5.345 -12.067 1.00 0.00 C ATOM 532 O GLY A 35 2.530 -4.789 -12.346 1.00 0.00 O ATOM 0 H GLY A 35 4.634 -2.827 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.066 -3.824 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.642 -5.207 -11.466 1.00 0.00 H new ATOM 536 N SER A 36 3.765 -6.655 -12.139 1.00 0.00 N ATOM 537 CA SER A 36 2.692 -7.547 -12.560 1.00 0.00 C ATOM 538 C SER A 36 2.293 -8.487 -11.424 1.00 0.00 C ATOM 539 O SER A 36 2.091 -9.683 -11.638 1.00 0.00 O ATOM 540 CB SER A 36 3.125 -8.357 -13.784 1.00 0.00 C ATOM 541 OG SER A 36 3.137 -7.553 -14.951 1.00 0.00 O ATOM 0 H SER A 36 4.640 -7.127 -11.911 1.00 0.00 H new ATOM 0 HA SER A 36 1.827 -6.939 -12.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.118 -8.773 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.447 -9.198 -13.925 1.00 0.00 H new ATOM 0 HG SER A 36 3.419 -8.094 -15.718 1.00 0.00 H new ATOM 547 N THR A 37 2.188 -7.941 -10.214 1.00 0.00 N ATOM 548 CA THR A 37 1.822 -8.738 -9.048 1.00 0.00 C ATOM 549 C THR A 37 1.095 -7.889 -8.005 1.00 0.00 C ATOM 550 O THR A 37 1.210 -6.663 -7.999 1.00 0.00 O ATOM 551 CB THR A 37 3.079 -9.358 -8.431 1.00 0.00 C ATOM 552 OG1 THR A 37 3.705 -10.236 -9.348 1.00 0.00 O ATOM 553 CG2 THR A 37 2.814 -10.137 -7.159 1.00 0.00 C ATOM 0 H THR A 37 2.351 -6.954 -10.017 1.00 0.00 H new ATOM 0 HA THR A 37 1.146 -9.529 -9.373 1.00 0.00 H new ATOM 0 HB THR A 37 3.721 -8.512 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.507 -10.621 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.751 -10.546 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.379 -9.475 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.121 -10.952 -7.369 1.00 0.00 H new ATOM 561 N LEU A 38 0.363 -8.553 -7.112 1.00 0.00 N ATOM 562 CA LEU A 38 -0.362 -7.858 -6.049 1.00 0.00 C ATOM 563 C LEU A 38 0.378 -8.021 -4.732 1.00 0.00 C ATOM 564 O LEU A 38 0.980 -9.063 -4.472 1.00 0.00 O ATOM 565 CB LEU A 38 -1.789 -8.400 -5.889 1.00 0.00 C ATOM 566 CG LEU A 38 -2.901 -7.552 -6.510 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.254 -8.171 -6.200 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.832 -6.123 -5.993 1.00 0.00 C ATOM 0 H LEU A 38 0.256 -9.567 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.422 -6.805 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.830 -9.396 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.996 -8.513 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.766 -7.527 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.042 -7.563 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.296 -9.179 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.395 -8.215 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.630 -5.534 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.949 -6.122 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.867 -5.688 -6.254 1.00 0.00 H new ATOM 580 N VAL A 39 0.325 -6.995 -3.899 1.00 0.00 N ATOM 581 CA VAL A 39 0.983 -7.040 -2.609 1.00 0.00 C ATOM 582 C VAL A 39 -0.046 -6.922 -1.490 1.00 0.00 C ATOM 583 O VAL A 39 0.011 -7.651 -0.499 1.00 0.00 O ATOM 584 CB VAL A 39 2.034 -5.917 -2.484 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.534 -5.802 -1.054 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.193 -6.168 -3.443 1.00 0.00 C ATOM 0 H VAL A 39 -0.167 -6.123 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 39 1.496 -7.998 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 39 1.562 -4.972 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.274 -5.004 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.697 -5.575 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.990 -6.745 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.927 -5.368 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.662 -7.122 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.819 -6.193 -4.467 1.00 0.00 H new ATOM 596 N ALA A 40 -0.990 -6.007 -1.668 1.00 0.00 N ATOM 597 CA ALA A 40 -2.040 -5.798 -0.679 1.00 0.00 C ATOM 598 C ALA A 40 -3.184 -4.958 -1.238 1.00 0.00 C ATOM 599 O ALA A 40 -3.029 -3.764 -1.493 1.00 0.00 O ATOM 600 CB ALA A 40 -1.470 -5.146 0.569 1.00 0.00 C ATOM 0 H ALA A 40 -1.051 -5.399 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.444 -6.776 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.267 -4.997 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.702 -5.790 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.032 -4.183 0.308 1.00 0.00 H new ATOM 606 N GLU A 41 -4.337 -5.591 -1.417 1.00 0.00 N ATOM 607 CA GLU A 41 -5.517 -4.908 -1.937 1.00 0.00 C ATOM 608 C GLU A 41 -6.649 -4.917 -0.916 1.00 0.00 C ATOM 609 O GLU A 41 -7.211 -5.967 -0.604 1.00 0.00 O ATOM 610 CB GLU A 41 -5.981 -5.556 -3.242 1.00 0.00 C ATOM 611 CG GLU A 41 -5.975 -4.600 -4.420 1.00 0.00 C ATOM 612 CD GLU A 41 -6.234 -5.298 -5.741 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.921 -6.341 -5.737 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.751 -4.801 -6.780 1.00 0.00 O ATOM 0 H GLU A 41 -4.481 -6.579 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.243 -3.872 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.336 -6.405 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.989 -5.949 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.734 -3.833 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.012 -4.091 -4.465 1.00 0.00 H new ATOM 621 N PHE A 42 -6.976 -3.738 -0.402 1.00 0.00 N ATOM 622 CA PHE A 42 -8.039 -3.599 0.582 1.00 0.00 C ATOM 623 C PHE A 42 -9.317 -3.078 -0.069 1.00 0.00 C ATOM 624 O PHE A 42 -9.279 -2.474 -1.141 1.00 0.00 O ATOM 625 CB PHE A 42 -7.597 -2.657 1.706 1.00 0.00 C ATOM 626 CG PHE A 42 -8.718 -2.229 2.610 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.514 -1.147 2.273 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.980 -2.910 3.789 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.552 -0.749 3.092 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.017 -2.515 4.615 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.803 -1.434 4.266 1.00 0.00 C ATOM 0 H PHE A 42 -6.518 -2.862 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.246 -4.583 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.830 -3.151 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.138 -1.771 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.320 -0.607 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.369 -3.757 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.166 0.095 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.212 -3.051 5.532 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.613 -1.124 4.910 1.00 0.00 H new ATOM 641 N LYS A 43 -10.446 -3.315 0.591 1.00 0.00 N ATOM 642 CA LYS A 43 -11.736 -2.870 0.083 1.00 0.00 C ATOM 643 C LYS A 43 -12.697 -2.572 1.230 1.00 0.00 C ATOM 644 O LYS A 43 -12.399 -2.853 2.391 1.00 0.00 O ATOM 645 CB LYS A 43 -12.338 -3.931 -0.840 1.00 0.00 C ATOM 646 CG LYS A 43 -11.909 -3.792 -2.291 1.00 0.00 C ATOM 647 CD LYS A 43 -10.734 -4.701 -2.613 1.00 0.00 C ATOM 648 CE LYS A 43 -11.200 -6.100 -2.984 1.00 0.00 C ATOM 649 NZ LYS A 43 -10.096 -6.919 -3.559 1.00 0.00 N ATOM 0 H LYS A 43 -10.492 -3.813 1.480 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.579 -1.953 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.052 -4.919 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.425 -3.874 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.747 -4.034 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.636 -2.756 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.159 -4.277 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.067 -4.754 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.598 -6.597 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.015 -6.032 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.454 -7.865 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.733 -6.458 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.329 -7.006 -2.862 1.00 0.00 H new ATOM 663 N ARG A 44 -13.856 -2.018 0.895 1.00 0.00 N ATOM 664 CA ARG A 44 -14.865 -1.697 1.883 1.00 0.00 C ATOM 665 C ARG A 44 -15.851 -2.840 1.999 1.00 0.00 C ATOM 666 O ARG A 44 -16.719 -3.036 1.148 1.00 0.00 O ATOM 667 CB ARG A 44 -15.601 -0.417 1.527 1.00 0.00 C ATOM 668 CG ARG A 44 -16.006 0.409 2.739 1.00 0.00 C ATOM 669 CD ARG A 44 -15.277 1.742 2.782 1.00 0.00 C ATOM 670 NE ARG A 44 -13.915 1.604 3.292 1.00 0.00 N ATOM 671 CZ ARG A 44 -13.615 1.494 4.585 1.00 0.00 C ATOM 672 NH1 ARG A 44 -14.577 1.502 5.499 1.00 0.00 N ATOM 673 NH2 ARG A 44 -12.351 1.375 4.964 1.00 0.00 N ATOM 0 H ARG A 44 -14.117 -1.782 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.365 -1.545 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.967 0.189 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.494 -0.668 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.082 0.583 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.792 -0.152 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.248 2.172 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.831 2.438 3.411 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.149 1.591 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.552 1.593 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.342 1.417 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.608 1.368 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.121 1.291 5.954 1.00 0.00 H new ATOM 687 N LYS A 45 -15.681 -3.592 3.055 1.00 0.00 N ATOM 688 CA LYS A 45 -16.517 -4.756 3.351 1.00 0.00 C ATOM 689 C LYS A 45 -16.035 -5.977 2.575 1.00 0.00 C ATOM 690 O LYS A 45 -15.887 -7.062 3.139 1.00 0.00 O ATOM 691 CB LYS A 45 -17.987 -4.474 3.025 1.00 0.00 C ATOM 692 CG LYS A 45 -18.959 -5.075 4.028 1.00 0.00 C ATOM 693 CD LYS A 45 -19.089 -6.578 3.843 1.00 0.00 C ATOM 694 CE LYS A 45 -19.207 -7.296 5.178 1.00 0.00 C ATOM 695 NZ LYS A 45 -20.179 -6.626 6.085 1.00 0.00 N ATOM 0 H LYS A 45 -14.954 -3.423 3.750 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.434 -4.962 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.141 -3.396 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.212 -4.866 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.618 -4.860 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.937 -4.607 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.966 -6.796 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.222 -6.955 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.519 -8.327 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.229 -7.333 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.577 -7.325 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.694 -5.879 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.946 -6.205 5.522 1.00 0.00 H new ATOM 709 N MET A 46 -15.789 -5.796 1.281 1.00 0.00 N ATOM 710 CA MET A 46 -15.319 -6.887 0.432 1.00 0.00 C ATOM 711 C MET A 46 -14.067 -7.534 1.021 1.00 0.00 C ATOM 712 O MET A 46 -13.455 -6.996 1.943 1.00 0.00 O ATOM 713 CB MET A 46 -15.026 -6.374 -0.979 1.00 0.00 C ATOM 714 CG MET A 46 -14.955 -7.477 -2.024 1.00 0.00 C ATOM 715 SD MET A 46 -15.629 -6.968 -3.617 1.00 0.00 S ATOM 716 CE MET A 46 -15.994 -8.559 -4.354 1.00 0.00 C ATOM 0 H MET A 46 -15.907 -4.906 0.797 1.00 0.00 H new ATOM 0 HA MET A 46 -16.106 -7.639 0.381 1.00 0.00 H new ATOM 0 HB2 MET A 46 -15.800 -5.662 -1.266 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.081 -5.831 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.917 -7.783 -2.154 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.502 -8.349 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 46 -16.419 -8.411 -5.347 1.00 0.00 H new ATOM 0 HE2 MET A 46 -15.076 -9.142 -4.435 1.00 0.00 H new ATOM 0 HE3 MET A 46 -16.709 -9.094 -3.729 1.00 0.00 H new ATOM 726 N LYS A 47 -13.694 -8.692 0.484 1.00 0.00 N ATOM 727 CA LYS A 47 -12.517 -9.410 0.961 1.00 0.00 C ATOM 728 C LYS A 47 -11.245 -8.881 0.298 1.00 0.00 C ATOM 729 O LYS A 47 -11.174 -8.776 -0.927 1.00 0.00 O ATOM 730 CB LYS A 47 -12.662 -10.909 0.691 1.00 0.00 C ATOM 731 CG LYS A 47 -12.935 -11.245 -0.767 1.00 0.00 C ATOM 732 CD LYS A 47 -14.421 -11.435 -1.028 1.00 0.00 C ATOM 733 CE LYS A 47 -14.677 -12.601 -1.968 1.00 0.00 C ATOM 734 NZ LYS A 47 -16.074 -12.603 -2.483 1.00 0.00 N ATOM 0 H LYS A 47 -14.189 -9.152 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.437 -9.248 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.750 -11.416 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.473 -11.302 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.552 -10.447 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.398 -12.154 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.938 -11.607 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.836 -10.523 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.981 -12.551 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.481 -13.538 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.208 -13.414 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.738 -12.676 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.254 -11.720 -3.003 1.00 0.00 H new ATOM 748 N PRO A 48 -10.218 -8.537 1.097 1.00 0.00 N ATOM 749 CA PRO A 48 -8.954 -8.016 0.576 1.00 0.00 C ATOM 750 C PRO A 48 -8.020 -9.121 0.089 1.00 0.00 C ATOM 751 O PRO A 48 -8.391 -10.294 0.058 1.00 0.00 O ATOM 752 CB PRO A 48 -8.357 -7.304 1.786 1.00 0.00 C ATOM 753 CG PRO A 48 -8.860 -8.068 2.963 1.00 0.00 C ATOM 754 CD PRO A 48 -10.209 -8.621 2.572 1.00 0.00 C ATOM 0 HA PRO A 48 -9.100 -7.374 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.268 -7.306 1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.672 -6.261 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.173 -8.872 3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.944 -7.422 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.333 -9.649 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.020 -8.039 3.010 1.00 0.00 H new ATOM 762 N PHE A 49 -6.807 -8.733 -0.292 1.00 0.00 N ATOM 763 CA PHE A 49 -5.813 -9.683 -0.782 1.00 0.00 C ATOM 764 C PHE A 49 -4.432 -9.387 -0.208 1.00 0.00 C ATOM 765 O PHE A 49 -3.763 -8.447 -0.634 1.00 0.00 O ATOM 766 CB PHE A 49 -5.745 -9.643 -2.311 1.00 0.00 C ATOM 767 CG PHE A 49 -4.605 -10.449 -2.878 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.737 -11.814 -3.077 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.398 -9.843 -3.200 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.690 -12.558 -3.587 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.348 -10.584 -3.706 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.494 -11.942 -3.901 1.00 0.00 C ATOM 0 H PHE A 49 -6.488 -7.765 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.120 -10.676 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.684 -10.017 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.646 -8.607 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.669 -12.302 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.279 -8.780 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.807 -13.621 -3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.413 -10.101 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.675 -12.523 -4.298 1.00 0.00 H new ATOM 782 N LEU A 50 -3.999 -10.207 0.741 1.00 0.00 N ATOM 783 CA LEU A 50 -2.690 -10.045 1.349 1.00 0.00 C ATOM 784 C LEU A 50 -1.700 -11.024 0.722 1.00 0.00 C ATOM 785 O LEU A 50 -1.825 -12.237 0.896 1.00 0.00 O ATOM 786 CB LEU A 50 -2.781 -10.283 2.859 1.00 0.00 C ATOM 787 CG LEU A 50 -2.936 -9.021 3.710 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.899 -9.369 5.190 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.850 -8.013 3.370 1.00 0.00 C ATOM 0 H LEU A 50 -4.539 -10.992 1.105 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.340 -9.028 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.627 -10.941 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.884 -10.812 3.182 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.904 -8.571 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.011 -8.460 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.713 -10.055 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.946 -9.842 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.976 -7.122 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.872 -8.453 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.923 -7.741 2.317 1.00 0.00 H new ATOM 801 N LYS A 51 -0.723 -10.498 -0.019 1.00 0.00 N ATOM 802 CA LYS A 51 0.277 -11.339 -0.679 1.00 0.00 C ATOM 803 C LYS A 51 0.794 -12.430 0.259 1.00 0.00 C ATOM 804 O LYS A 51 0.894 -13.595 -0.126 1.00 0.00 O ATOM 805 CB LYS A 51 1.441 -10.484 -1.182 1.00 0.00 C ATOM 806 CG LYS A 51 2.551 -11.288 -1.841 1.00 0.00 C ATOM 807 CD LYS A 51 3.531 -10.387 -2.574 1.00 0.00 C ATOM 808 CE LYS A 51 4.468 -11.189 -3.462 1.00 0.00 C ATOM 809 NZ LYS A 51 5.441 -10.317 -4.174 1.00 0.00 N ATOM 0 H LYS A 51 -0.603 -9.497 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.204 -11.824 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.061 -9.753 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.858 -9.925 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.082 -11.865 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.118 -12.002 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.981 -9.667 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.113 -9.816 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.008 -11.916 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.884 -11.752 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.061 -10.903 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.927 -9.639 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.016 -9.799 -3.479 1.00 0.00 H new ATOM 823 N SER A 52 1.114 -12.048 1.490 1.00 0.00 N ATOM 824 CA SER A 52 1.613 -12.999 2.478 1.00 0.00 C ATOM 825 C SER A 52 1.832 -12.324 3.829 1.00 0.00 C ATOM 826 O SER A 52 1.820 -11.098 3.933 1.00 0.00 O ATOM 827 CB SER A 52 2.917 -13.640 1.993 1.00 0.00 C ATOM 828 OG SER A 52 2.899 -15.042 2.193 1.00 0.00 O ATOM 0 H SER A 52 1.037 -11.089 1.828 1.00 0.00 H new ATOM 0 HA SER A 52 0.861 -13.778 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.062 -13.422 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.761 -13.204 2.527 1.00 0.00 H new ATOM 0 HG SER A 52 3.741 -15.429 1.874 1.00 0.00 H new ATOM 834 N GLY A 53 2.019 -13.139 4.863 1.00 0.00 N ATOM 835 CA GLY A 53 2.227 -12.605 6.209 1.00 0.00 C ATOM 836 C GLY A 53 3.362 -11.589 6.289 1.00 0.00 C ATOM 837 O GLY A 53 3.511 -10.914 7.307 1.00 0.00 O ATOM 0 H GLY A 53 2.031 -14.157 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.305 -12.136 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.438 -13.429 6.890 1.00 0.00 H new ATOM 841 N ALA A 54 4.176 -11.476 5.229 1.00 0.00 N ATOM 842 CA ALA A 54 5.292 -10.533 5.231 1.00 0.00 C ATOM 843 C ALA A 54 4.829 -9.086 5.060 1.00 0.00 C ATOM 844 O ALA A 54 5.650 -8.171 5.008 1.00 0.00 O ATOM 845 CB ALA A 54 6.289 -10.900 4.143 1.00 0.00 C ATOM 0 H ALA A 54 4.081 -12.021 4.372 1.00 0.00 H new ATOM 0 HA ALA A 54 5.775 -10.603 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.117 -10.191 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.670 -11.905 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.796 -10.868 3.172 1.00 0.00 H new ATOM 851 N PHE A 55 3.518 -8.880 4.978 1.00 0.00 N ATOM 852 CA PHE A 55 2.971 -7.537 4.819 1.00 0.00 C ATOM 853 C PHE A 55 1.781 -7.312 5.742 1.00 0.00 C ATOM 854 O PHE A 55 1.117 -8.259 6.166 1.00 0.00 O ATOM 855 CB PHE A 55 2.530 -7.295 3.376 1.00 0.00 C ATOM 856 CG PHE A 55 3.612 -7.513 2.362 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.580 -6.550 2.157 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.649 -8.671 1.603 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.572 -6.732 1.215 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.640 -8.863 0.660 1.00 0.00 C ATOM 861 CZ PHE A 55 5.603 -7.892 0.464 1.00 0.00 C ATOM 0 H PHE A 55 2.818 -9.621 5.019 1.00 0.00 H new ATOM 0 HA PHE A 55 3.764 -6.836 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.694 -7.955 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.163 -6.273 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.561 -5.642 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.896 -9.431 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.322 -5.970 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.662 -9.771 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.378 -8.039 -0.274 1.00 0.00 H new ATOM 871 N GLU A 56 1.511 -6.047 6.031 1.00 0.00 N ATOM 872 CA GLU A 56 0.395 -5.674 6.885 1.00 0.00 C ATOM 873 C GLU A 56 -0.087 -4.269 6.540 1.00 0.00 C ATOM 874 O GLU A 56 0.684 -3.309 6.586 1.00 0.00 O ATOM 875 CB GLU A 56 0.799 -5.745 8.359 1.00 0.00 C ATOM 876 CG GLU A 56 0.773 -7.153 8.930 1.00 0.00 C ATOM 877 CD GLU A 56 2.158 -7.759 9.051 1.00 0.00 C ATOM 878 OE1 GLU A 56 3.023 -7.434 8.211 1.00 0.00 O ATOM 879 OE2 GLU A 56 2.377 -8.558 9.986 1.00 0.00 O ATOM 0 H GLU A 56 2.055 -5.257 5.683 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.420 -6.378 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.802 -5.335 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.129 -5.113 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.302 -7.134 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.157 -7.788 8.293 1.00 0.00 H new ATOM 886 N ILE A 57 -1.362 -4.158 6.182 1.00 0.00 N ATOM 887 CA ILE A 57 -1.940 -2.870 5.819 1.00 0.00 C ATOM 888 C ILE A 57 -2.207 -2.016 7.056 1.00 0.00 C ATOM 889 O ILE A 57 -3.188 -2.220 7.771 1.00 0.00 O ATOM 890 CB ILE A 57 -3.246 -3.037 5.013 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.725 -1.678 4.497 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.327 -3.707 5.853 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.476 -1.760 3.186 1.00 0.00 C ATOM 0 H ILE A 57 -2.013 -4.942 6.136 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.208 -2.363 5.190 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.042 -3.683 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.369 -1.220 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.864 -1.021 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.236 -3.812 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.984 -4.692 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.536 -3.097 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.785 -0.760 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.828 -2.189 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.357 -2.390 3.310 1.00 0.00 H new ATOM 905 N LEU A 58 -1.320 -1.059 7.303 1.00 0.00 N ATOM 906 CA LEU A 58 -1.447 -0.168 8.452 1.00 0.00 C ATOM 907 C LEU A 58 -2.812 0.518 8.469 1.00 0.00 C ATOM 908 O LEU A 58 -3.494 0.589 7.446 1.00 0.00 O ATOM 909 CB LEU A 58 -0.330 0.879 8.427 1.00 0.00 C ATOM 910 CG LEU A 58 0.644 0.823 9.606 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.103 -0.606 9.861 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.838 1.727 9.343 1.00 0.00 C ATOM 0 H LEU A 58 -0.502 -0.879 6.721 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.359 -0.766 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.236 0.761 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.783 1.870 8.398 1.00 0.00 H new ATOM 0 HG LEU A 58 0.126 1.176 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.795 -0.621 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.239 -1.230 10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.604 -0.991 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.524 1.679 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.352 1.398 8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.495 2.753 9.212 1.00 0.00 H new ATOM 924 N ALA A 59 -3.201 1.019 9.636 1.00 0.00 N ATOM 925 CA ALA A 59 -4.482 1.699 9.790 1.00 0.00 C ATOM 926 C ALA A 59 -4.538 2.977 8.957 1.00 0.00 C ATOM 927 O ALA A 59 -5.618 3.466 8.629 1.00 0.00 O ATOM 928 CB ALA A 59 -4.739 2.013 11.256 1.00 0.00 C ATOM 0 H ALA A 59 -2.647 0.967 10.491 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.262 1.029 9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.698 2.520 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.757 1.086 11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.946 2.658 11.634 1.00 0.00 H new ATOM 934 N ASN A 60 -3.369 3.512 8.617 1.00 0.00 N ATOM 935 CA ASN A 60 -3.293 4.734 7.822 1.00 0.00 C ATOM 936 C ASN A 60 -3.104 4.414 6.341 1.00 0.00 C ATOM 937 O ASN A 60 -2.455 5.165 5.612 1.00 0.00 O ATOM 938 CB ASN A 60 -2.148 5.628 8.315 1.00 0.00 C ATOM 939 CG ASN A 60 -0.879 4.851 8.611 1.00 0.00 C ATOM 940 OD1 ASN A 60 0.013 4.749 7.769 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.790 4.301 9.818 1.00 0.00 N ATOM 0 H ASN A 60 -2.464 3.120 8.878 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.235 5.268 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.936 6.387 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.465 6.153 9.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.042 3.770 10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.553 4.410 10.486 1.00 0.00 H new ATOM 948 N GLY A 61 -3.681 3.298 5.901 1.00 0.00 N ATOM 949 CA GLY A 61 -3.569 2.902 4.508 1.00 0.00 C ATOM 950 C GLY A 61 -2.131 2.813 4.037 1.00 0.00 C ATOM 951 O GLY A 61 -1.830 3.114 2.882 1.00 0.00 O ATOM 0 H GLY A 61 -4.224 2.661 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.052 1.935 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.106 3.619 3.887 1.00 0.00 H new ATOM 955 N ASP A 62 -1.242 2.399 4.933 1.00 0.00 N ATOM 956 CA ASP A 62 0.175 2.272 4.601 1.00 0.00 C ATOM 957 C ASP A 62 0.597 0.806 4.553 1.00 0.00 C ATOM 958 O ASP A 62 -0.023 -0.051 5.184 1.00 0.00 O ATOM 959 CB ASP A 62 1.027 3.033 5.619 1.00 0.00 C ATOM 960 CG ASP A 62 1.129 4.510 5.293 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.089 5.199 5.326 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.250 4.978 5.007 1.00 0.00 O ATOM 0 H ASP A 62 -1.475 2.146 5.893 1.00 0.00 H new ATOM 0 HA ASP A 62 0.332 2.704 3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.597 2.911 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.027 2.600 5.649 1.00 0.00 H new ATOM 967 N LEU A 63 1.656 0.526 3.798 1.00 0.00 N ATOM 968 CA LEU A 63 2.165 -0.845 3.666 1.00 0.00 C ATOM 969 C LEU A 63 3.259 -1.118 4.692 1.00 0.00 C ATOM 970 O LEU A 63 4.269 -0.416 4.733 1.00 0.00 O ATOM 971 CB LEU A 63 2.723 -1.061 2.258 1.00 0.00 C ATOM 972 CG LEU A 63 2.950 -2.518 1.860 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.638 -3.180 1.468 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.949 -2.596 0.718 1.00 0.00 C ATOM 0 H LEU A 63 2.179 1.223 3.269 1.00 0.00 H new ATOM 0 HA LEU A 63 1.339 -1.534 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.038 -0.609 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.670 -0.528 2.175 1.00 0.00 H new ATOM 0 HG LEU A 63 3.355 -3.054 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.823 -4.217 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.949 -3.149 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.201 -2.649 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.104 -3.639 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.564 -2.046 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.897 -2.159 1.033 1.00 0.00 H new ATOM 986 N LYS A 64 3.061 -2.142 5.519 1.00 0.00 N ATOM 987 CA LYS A 64 4.044 -2.496 6.535 1.00 0.00 C ATOM 988 C LYS A 64 4.764 -3.790 6.167 1.00 0.00 C ATOM 989 O LYS A 64 4.173 -4.871 6.202 1.00 0.00 O ATOM 990 CB LYS A 64 3.369 -2.644 7.899 1.00 0.00 C ATOM 991 CG LYS A 64 4.349 -2.727 9.057 1.00 0.00 C ATOM 992 CD LYS A 64 4.712 -4.168 9.377 1.00 0.00 C ATOM 993 CE LYS A 64 5.723 -4.249 10.510 1.00 0.00 C ATOM 994 NZ LYS A 64 6.710 -5.342 10.296 1.00 0.00 N ATOM 0 H LYS A 64 2.233 -2.737 5.505 1.00 0.00 H new ATOM 0 HA LYS A 64 4.780 -1.694 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.702 -1.797 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.750 -3.541 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.253 -2.169 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.913 -2.256 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.812 -4.719 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.121 -4.647 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.248 -3.298 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.200 -4.412 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.284 -5.464 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.207 -6.228 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.330 -5.099 9.497 1.00 0.00 H new ATOM 1008 N ILE A 65 6.044 -3.674 5.819 1.00 0.00 N ATOM 1009 CA ILE A 65 6.846 -4.837 5.451 1.00 0.00 C ATOM 1010 C ILE A 65 7.510 -5.440 6.689 1.00 0.00 C ATOM 1011 O ILE A 65 7.985 -4.713 7.562 1.00 0.00 O ATOM 1012 CB ILE A 65 7.931 -4.473 4.416 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.396 -3.428 3.423 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.407 -5.726 3.692 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.327 -3.149 2.259 1.00 0.00 C ATOM 0 H ILE A 65 6.547 -2.787 5.784 1.00 0.00 H new ATOM 0 HA ILE A 65 6.173 -5.568 5.003 1.00 0.00 H new ATOM 0 HB ILE A 65 8.784 -4.036 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.437 -3.770 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.210 -2.496 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.172 -5.457 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.824 -6.428 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.566 -6.191 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.878 -2.402 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.279 -2.776 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.494 -4.069 1.698 1.00 0.00 H new ATOM 1027 N LYS A 66 7.527 -6.768 6.771 1.00 0.00 N ATOM 1028 CA LYS A 66 8.117 -7.456 7.919 1.00 0.00 C ATOM 1029 C LYS A 66 9.615 -7.676 7.742 1.00 0.00 C ATOM 1030 O LYS A 66 10.407 -7.403 8.644 1.00 0.00 O ATOM 1031 CB LYS A 66 7.419 -8.797 8.148 1.00 0.00 C ATOM 1032 CG LYS A 66 7.930 -9.548 9.367 1.00 0.00 C ATOM 1033 CD LYS A 66 9.054 -10.503 9.001 1.00 0.00 C ATOM 1034 CE LYS A 66 9.089 -11.705 9.933 1.00 0.00 C ATOM 1035 NZ LYS A 66 9.680 -11.365 11.256 1.00 0.00 N ATOM 0 H LYS A 66 7.141 -7.388 6.060 1.00 0.00 H new ATOM 0 HA LYS A 66 7.975 -6.817 8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.348 -8.626 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.551 -9.422 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.284 -8.836 10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.111 -10.105 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.925 -10.842 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.008 -9.978 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.077 -12.084 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.668 -12.505 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.686 -12.211 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.655 -11.027 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.113 -10.619 11.708 1.00 0.00 H new ATOM 1049 N ASN A 67 9.989 -8.174 6.579 1.00 0.00 N ATOM 1050 CA ASN A 67 11.386 -8.443 6.267 1.00 0.00 C ATOM 1051 C ASN A 67 11.675 -8.115 4.809 1.00 0.00 C ATOM 1052 O ASN A 67 11.196 -8.793 3.901 1.00 0.00 O ATOM 1053 CB ASN A 67 11.724 -9.908 6.556 1.00 0.00 C ATOM 1054 CG ASN A 67 12.897 -10.055 7.504 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.971 -9.376 8.528 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.822 -10.945 7.167 1.00 0.00 N ATOM 0 H ASN A 67 9.340 -8.403 5.826 1.00 0.00 H new ATOM 0 HA ASN A 67 12.010 -7.810 6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.851 -10.402 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.952 -10.417 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.635 -11.088 7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.720 -11.486 6.309 1.00 0.00 H new ATOM 1063 N LEU A 68 12.453 -7.062 4.592 1.00 0.00 N ATOM 1064 CA LEU A 68 12.796 -6.632 3.248 1.00 0.00 C ATOM 1065 C LEU A 68 13.436 -7.752 2.443 1.00 0.00 C ATOM 1066 O LEU A 68 14.087 -8.641 2.990 1.00 0.00 O ATOM 1067 CB LEU A 68 13.725 -5.426 3.310 1.00 0.00 C ATOM 1068 CG LEU A 68 13.016 -4.113 3.618 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.924 -3.181 4.402 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.542 -3.456 2.335 1.00 0.00 C ATOM 0 H LEU A 68 12.858 -6.491 5.334 1.00 0.00 H new ATOM 0 HA LEU A 68 11.873 -6.352 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.485 -5.604 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.245 -5.331 2.357 1.00 0.00 H new ATOM 0 HG LEU A 68 12.144 -4.328 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.397 -2.250 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.209 -3.655 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.819 -2.968 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.037 -2.519 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.398 -3.255 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.849 -4.121 1.820 1.00 0.00 H new ATOM 1082 N THR A 69 13.235 -7.693 1.134 1.00 0.00 N ATOM 1083 CA THR A 69 13.779 -8.694 0.224 1.00 0.00 C ATOM 1084 C THR A 69 13.989 -8.104 -1.169 1.00 0.00 C ATOM 1085 O THR A 69 13.420 -7.066 -1.507 1.00 0.00 O ATOM 1086 CB THR A 69 12.848 -9.903 0.148 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.494 -9.492 0.070 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.978 -10.828 1.338 1.00 0.00 C ATOM 0 H THR A 69 12.696 -6.958 0.675 1.00 0.00 H new ATOM 0 HA THR A 69 14.746 -9.016 0.610 1.00 0.00 H new ATOM 0 HB THR A 69 13.147 -10.443 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.099 -9.823 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.291 -11.666 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.000 -11.202 1.398 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.737 -10.283 2.251 1.00 0.00 H new ATOM 1096 N ARG A 70 14.815 -8.771 -1.970 1.00 0.00 N ATOM 1097 CA ARG A 70 15.111 -8.308 -3.328 1.00 0.00 C ATOM 1098 C ARG A 70 13.831 -8.017 -4.110 1.00 0.00 C ATOM 1099 O ARG A 70 13.652 -6.918 -4.636 1.00 0.00 O ATOM 1100 CB ARG A 70 15.964 -9.337 -4.085 1.00 0.00 C ATOM 1101 CG ARG A 70 15.742 -10.778 -3.649 1.00 0.00 C ATOM 1102 CD ARG A 70 16.290 -11.760 -4.673 1.00 0.00 C ATOM 1103 NE ARG A 70 17.687 -12.097 -4.414 1.00 0.00 N ATOM 1104 CZ ARG A 70 18.465 -12.746 -5.278 1.00 0.00 C ATOM 1105 NH1 ARG A 70 17.986 -13.128 -6.455 1.00 0.00 N ATOM 1106 NH2 ARG A 70 19.725 -13.013 -4.964 1.00 0.00 N ATOM 0 H ARG A 70 15.292 -9.633 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 70 15.676 -7.380 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.750 -9.255 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 70 17.017 -9.087 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.225 -10.947 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.676 -10.956 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.689 -12.669 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.199 -11.331 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 70 18.090 -11.819 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.017 -12.925 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.586 -13.625 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.098 -12.721 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 70 20.321 -13.510 -5.626 1.00 0.00 H new ATOM 1120 N ASP A 71 12.946 -9.005 -4.185 1.00 0.00 N ATOM 1121 CA ASP A 71 11.691 -8.859 -4.898 1.00 0.00 C ATOM 1122 C ASP A 71 10.871 -7.690 -4.353 1.00 0.00 C ATOM 1123 O ASP A 71 9.986 -7.174 -5.036 1.00 0.00 O ATOM 1124 CB ASP A 71 10.891 -10.154 -4.794 1.00 0.00 C ATOM 1125 CG ASP A 71 10.856 -10.707 -3.382 1.00 0.00 C ATOM 1126 OD1 ASP A 71 11.834 -11.371 -2.980 1.00 0.00 O ATOM 1127 OD2 ASP A 71 9.849 -10.477 -2.679 1.00 0.00 O ATOM 0 H ASP A 71 13.080 -9.921 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 71 11.914 -8.648 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.871 -9.975 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.324 -10.899 -5.461 1.00 0.00 H new ATOM 1132 N ASP A 72 11.164 -7.276 -3.123 1.00 0.00 N ATOM 1133 CA ASP A 72 10.441 -6.171 -2.502 1.00 0.00 C ATOM 1134 C ASP A 72 11.003 -4.819 -2.943 1.00 0.00 C ATOM 1135 O ASP A 72 10.358 -3.786 -2.765 1.00 0.00 O ATOM 1136 CB ASP A 72 10.493 -6.289 -0.977 1.00 0.00 C ATOM 1137 CG ASP A 72 9.147 -6.019 -0.332 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.347 -6.969 -0.208 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.896 -4.857 0.050 1.00 0.00 O ATOM 0 H ASP A 72 11.893 -7.687 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 72 9.403 -6.229 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.830 -7.289 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.228 -5.586 -0.585 1.00 0.00 H new ATOM 1144 N SER A 73 12.201 -4.827 -3.524 1.00 0.00 N ATOM 1145 CA SER A 73 12.826 -3.595 -3.989 1.00 0.00 C ATOM 1146 C SER A 73 12.297 -3.217 -5.368 1.00 0.00 C ATOM 1147 O SER A 73 12.258 -4.050 -6.274 1.00 0.00 O ATOM 1148 CB SER A 73 14.347 -3.754 -4.036 1.00 0.00 C ATOM 1149 OG SER A 73 14.996 -2.502 -3.893 1.00 0.00 O ATOM 0 H SER A 73 12.754 -5.669 -3.683 1.00 0.00 H new ATOM 0 HA SER A 73 12.578 -2.798 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.670 -4.427 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.639 -4.212 -4.981 1.00 0.00 H new ATOM 0 HG SER A 73 14.325 -1.790 -3.839 1.00 0.00 H new ATOM 1155 N GLY A 74 11.886 -1.961 -5.523 1.00 0.00 N ATOM 1156 CA GLY A 74 11.365 -1.514 -6.789 1.00 0.00 C ATOM 1157 C GLY A 74 10.328 -0.424 -6.627 1.00 0.00 C ATOM 1158 O GLY A 74 10.194 0.170 -5.557 1.00 0.00 O ATOM 0 H GLY A 74 11.907 -1.251 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.184 -1.145 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.922 -2.359 -7.317 1.00 0.00 H new ATOM 1162 N THR A 75 9.604 -0.160 -7.699 1.00 0.00 N ATOM 1163 CA THR A 75 8.568 0.870 -7.713 1.00 0.00 C ATOM 1164 C THR A 75 7.200 0.295 -7.346 1.00 0.00 C ATOM 1165 O THR A 75 6.733 -0.661 -7.963 1.00 0.00 O ATOM 1166 CB THR A 75 8.508 1.484 -9.109 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.755 1.352 -9.767 1.00 0.00 O ATOM 1168 CG2 THR A 75 8.151 2.948 -9.106 1.00 0.00 C ATOM 0 H THR A 75 9.713 -0.650 -8.587 1.00 0.00 H new ATOM 0 HA THR A 75 8.819 1.628 -6.971 1.00 0.00 H new ATOM 0 HB THR A 75 7.722 0.936 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.697 1.750 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.127 3.319 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.171 3.083 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.897 3.503 -8.537 1.00 0.00 H new ATOM 1176 N TYR A 76 6.554 0.901 -6.351 1.00 0.00 N ATOM 1177 CA TYR A 76 5.228 0.466 -5.919 1.00 0.00 C ATOM 1178 C TYR A 76 4.169 1.423 -6.460 1.00 0.00 C ATOM 1179 O TYR A 76 4.450 2.598 -6.688 1.00 0.00 O ATOM 1180 CB TYR A 76 5.143 0.408 -4.392 1.00 0.00 C ATOM 1181 CG TYR A 76 5.876 -0.764 -3.775 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.259 -0.853 -3.845 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.187 -1.775 -3.113 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.936 -1.915 -3.276 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.858 -2.839 -2.540 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.231 -2.904 -2.624 1.00 0.00 C ATOM 1187 OH TYR A 76 7.900 -3.960 -2.051 1.00 0.00 O ATOM 0 H TYR A 76 6.928 1.694 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 76 5.049 -0.535 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.548 1.333 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.094 0.361 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.816 -0.079 -4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.110 -1.728 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.013 -1.970 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.308 -3.616 -2.029 1.00 0.00 H new ATOM 0 HH TYR A 76 8.046 -3.777 -1.099 1.00 0.00 H new ATOM 1197 N ASN A 77 2.959 0.919 -6.672 1.00 0.00 N ATOM 1198 CA ASN A 77 1.878 1.746 -7.197 1.00 0.00 C ATOM 1199 C ASN A 77 0.600 1.583 -6.377 1.00 0.00 C ATOM 1200 O ASN A 77 0.107 0.467 -6.192 1.00 0.00 O ATOM 1201 CB ASN A 77 1.602 1.380 -8.656 1.00 0.00 C ATOM 1202 CG ASN A 77 2.397 2.228 -9.629 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.102 3.406 -9.826 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.410 1.629 -10.244 1.00 0.00 N ATOM 0 H ASN A 77 2.702 -0.051 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 77 2.193 2.787 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.843 0.329 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.538 1.498 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.980 2.148 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.618 0.650 -10.049 1.00 0.00 H new ATOM 1211 N VAL A 78 0.057 2.704 -5.901 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.175 2.674 -5.119 1.00 0.00 C ATOM 1213 C VAL A 78 -2.339 3.279 -5.899 1.00 0.00 C ATOM 1214 O VAL A 78 -2.233 4.385 -6.435 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.068 3.430 -3.773 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.859 2.691 -2.703 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.382 3.634 -3.338 1.00 0.00 C ATOM 0 H VAL A 78 0.448 3.635 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.351 1.618 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.494 4.424 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.781 3.227 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.906 2.631 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.458 1.685 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.405 4.169 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.866 2.665 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.911 4.214 -4.094 1.00 0.00 H new ATOM 1227 N THR A 79 -3.455 2.554 -5.931 1.00 0.00 N ATOM 1228 CA THR A 79 -4.659 3.016 -6.611 1.00 0.00 C ATOM 1229 C THR A 79 -5.789 3.165 -5.600 1.00 0.00 C ATOM 1230 O THR A 79 -6.432 2.186 -5.220 1.00 0.00 O ATOM 1231 CB THR A 79 -5.061 2.041 -7.722 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.060 1.058 -7.918 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.303 2.722 -9.052 1.00 0.00 C ATOM 0 H THR A 79 -3.549 1.639 -5.490 1.00 0.00 H new ATOM 0 HA THR A 79 -4.457 3.984 -7.069 1.00 0.00 H new ATOM 0 HB THR A 79 -5.994 1.589 -7.386 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.465 0.166 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.584 1.977 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.106 3.451 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.393 3.229 -9.372 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.008 4.393 -5.149 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.041 4.675 -4.159 1.00 0.00 C ATOM 1243 C VAL A 80 -8.371 5.034 -4.816 1.00 0.00 C ATOM 1244 O VAL A 80 -8.445 5.947 -5.638 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.604 5.827 -3.222 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.716 6.201 -2.253 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.335 5.458 -2.461 1.00 0.00 C ATOM 0 H VAL A 80 -5.483 5.213 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.179 3.765 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.392 6.696 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.379 7.013 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.594 6.523 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.973 5.335 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.048 6.284 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.517 4.568 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.531 5.259 -3.169 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.424 4.313 -4.434 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.755 4.562 -4.969 1.00 0.00 C ATOM 1259 C TYR A 81 -11.717 4.965 -3.864 1.00 0.00 C ATOM 1260 O TYR A 81 -11.551 4.585 -2.700 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.304 3.333 -5.675 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.513 2.916 -6.895 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.775 3.476 -8.141 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.508 1.962 -6.805 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.059 3.097 -9.259 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.787 1.578 -7.920 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.066 2.148 -9.143 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.350 1.768 -10.256 1.00 0.00 O ATOM 0 H TYR A 81 -9.378 3.552 -3.756 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.664 5.377 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.328 2.502 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.334 3.528 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.552 4.220 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.286 1.513 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.276 3.542 -10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.008 0.835 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.687 1.092 -10.003 1.00 0.00 H new ATOM 1278 N SER A 82 -12.727 5.728 -4.254 1.00 0.00 N ATOM 1279 CA SER A 82 -13.746 6.214 -3.330 1.00 0.00 C ATOM 1280 C SER A 82 -14.924 5.250 -3.237 1.00 0.00 C ATOM 1281 O SER A 82 -15.016 4.283 -3.993 1.00 0.00 O ATOM 1282 CB SER A 82 -14.237 7.595 -3.764 1.00 0.00 C ATOM 1283 OG SER A 82 -13.656 7.985 -4.996 1.00 0.00 O ATOM 0 H SER A 82 -12.865 6.029 -5.219 1.00 0.00 H new ATOM 0 HA SER A 82 -13.290 6.285 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.323 7.584 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.992 8.328 -2.996 1.00 0.00 H new ATOM 0 HG SER A 82 -13.990 8.871 -5.249 1.00 0.00 H new ATOM 1289 N THR A 83 -15.824 5.532 -2.302 1.00 0.00 N ATOM 1290 CA THR A 83 -17.009 4.705 -2.096 1.00 0.00 C ATOM 1291 C THR A 83 -17.876 4.652 -3.352 1.00 0.00 C ATOM 1292 O THR A 83 -18.703 3.753 -3.507 1.00 0.00 O ATOM 1293 CB THR A 83 -17.831 5.242 -0.923 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.994 6.646 -1.025 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.211 4.950 0.427 1.00 0.00 C ATOM 0 H THR A 83 -15.756 6.331 -1.671 1.00 0.00 H new ATOM 0 HA THR A 83 -16.673 3.693 -1.870 1.00 0.00 H new ATOM 0 HB THR A 83 -18.790 4.727 -0.984 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.524 6.970 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.845 5.358 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.117 3.872 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.224 5.409 0.481 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.685 5.618 -4.248 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.456 5.673 -5.485 1.00 0.00 C ATOM 1305 C ASN A 84 -17.717 4.980 -6.629 1.00 0.00 C ATOM 1306 O ASN A 84 -17.939 5.293 -7.800 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.751 7.126 -5.861 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.747 7.776 -4.921 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.875 8.083 -5.308 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.334 7.989 -3.677 1.00 0.00 N ATOM 0 H ASN A 84 -17.005 6.370 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.396 5.147 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.822 7.696 -5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.139 7.163 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -19.960 8.423 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.390 7.719 -3.400 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.843 4.039 -6.286 1.00 0.00 N ATOM 1318 CA GLY A 85 -16.091 3.322 -7.300 1.00 0.00 C ATOM 1319 C GLY A 85 -15.276 4.243 -8.188 1.00 0.00 C ATOM 1320 O GLY A 85 -14.900 3.871 -9.298 1.00 0.00 O ATOM 0 H GLY A 85 -16.642 3.760 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.424 2.609 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.780 2.746 -7.917 1.00 0.00 H new ATOM 1324 N THR A 86 -15.003 5.448 -7.697 1.00 0.00 N ATOM 1325 CA THR A 86 -14.226 6.421 -8.455 1.00 0.00 C ATOM 1326 C THR A 86 -12.764 6.401 -8.019 1.00 0.00 C ATOM 1327 O THR A 86 -12.426 5.836 -6.979 1.00 0.00 O ATOM 1328 CB THR A 86 -14.808 7.826 -8.274 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.100 7.765 -7.696 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.924 8.598 -9.571 1.00 0.00 C ATOM 0 H THR A 86 -15.308 5.773 -6.779 1.00 0.00 H new ATOM 0 HA THR A 86 -14.278 6.151 -9.510 1.00 0.00 H new ATOM 0 HB THR A 86 -14.107 8.345 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.453 8.673 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.343 9.584 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.936 8.707 -10.019 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.576 8.059 -10.258 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.902 7.024 -8.815 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.477 7.076 -8.501 1.00 0.00 C ATOM 1340 C ARG A 87 -10.151 8.316 -7.678 1.00 0.00 C ATOM 1341 O ARG A 87 -10.380 9.443 -8.117 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.633 7.059 -9.781 1.00 0.00 C ATOM 1343 CG ARG A 87 -8.218 6.551 -9.564 1.00 0.00 C ATOM 1344 CD ARG A 87 -7.434 6.513 -10.866 1.00 0.00 C ATOM 1345 NE ARG A 87 -7.841 5.398 -11.717 1.00 0.00 N ATOM 1346 CZ ARG A 87 -7.371 5.192 -12.945 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -6.479 6.023 -13.469 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -7.795 4.153 -13.651 1.00 0.00 N ATOM 0 H ARG A 87 -12.163 7.499 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.233 6.191 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.126 6.432 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.590 8.067 -10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.705 7.193 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.252 5.552 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.578 7.450 -11.403 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.370 6.432 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.526 4.738 -11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.150 6.824 -12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.122 5.860 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.481 3.512 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.435 3.995 -14.592 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.620 8.101 -6.479 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.269 9.202 -5.591 1.00 0.00 C ATOM 1364 C ILE A 88 -7.830 9.656 -5.806 1.00 0.00 C ATOM 1365 O ILE A 88 -7.580 10.821 -6.118 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.452 8.812 -4.111 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.864 8.270 -3.875 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.176 10.005 -3.204 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.135 7.895 -2.434 1.00 0.00 C ATOM 0 H ILE A 88 -9.424 7.174 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.944 10.023 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.735 8.027 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.590 9.020 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.018 7.394 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.310 9.710 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.152 10.347 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.868 10.812 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.154 7.519 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.433 7.122 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.013 8.774 -1.800 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.884 8.740 -5.625 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.475 9.071 -5.789 1.00 0.00 C ATOM 1383 C LEU A 89 -4.668 7.883 -6.311 1.00 0.00 C ATOM 1384 O LEU A 89 -4.782 6.766 -5.807 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.894 9.551 -4.454 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.364 9.613 -4.385 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.916 10.783 -3.523 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.801 8.303 -3.848 1.00 0.00 C ATOM 0 H LEU A 89 -7.066 7.770 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.406 9.868 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.291 10.544 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.250 8.889 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.979 9.764 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.827 10.811 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.289 11.714 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.311 10.664 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.714 8.365 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.193 8.121 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.093 7.485 -4.506 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.833 8.153 -7.308 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.971 7.138 -7.899 1.00 0.00 C ATOM 1402 C ASN A 90 -1.519 7.579 -7.757 1.00 0.00 C ATOM 1403 O ASN A 90 -1.093 8.543 -8.392 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.322 6.923 -9.373 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.461 5.455 -9.726 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.364 5.067 -10.468 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.565 4.631 -9.196 1.00 0.00 N ATOM 0 H ASN A 90 -3.735 9.078 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.118 6.191 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.255 7.438 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.549 7.372 -9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.608 3.632 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.834 4.997 -8.586 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.769 6.897 -6.898 1.00 0.00 N ATOM 1415 CA LYS A 91 0.624 7.268 -6.661 1.00 0.00 C ATOM 1416 C LYS A 91 1.597 6.134 -6.967 1.00 0.00 C ATOM 1417 O LYS A 91 1.216 4.966 -7.049 1.00 0.00 O ATOM 1418 CB LYS A 91 0.807 7.716 -5.209 1.00 0.00 C ATOM 1419 CG LYS A 91 0.022 8.965 -4.853 1.00 0.00 C ATOM 1420 CD LYS A 91 0.769 10.227 -5.255 1.00 0.00 C ATOM 1421 CE LYS A 91 0.040 11.477 -4.791 1.00 0.00 C ATOM 1422 NZ LYS A 91 -0.990 11.917 -5.772 1.00 0.00 N ATOM 0 H LYS A 91 -1.095 6.094 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 91 0.852 8.088 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.503 6.905 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.866 7.898 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.947 8.941 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.171 8.981 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.772 10.209 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.885 10.253 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.434 11.284 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.760 12.280 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.697 12.509 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.536 12.467 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.457 11.083 -6.182 1.00 0.00 H new ATOM 1436 N ALA A 92 2.866 6.507 -7.120 1.00 0.00 N ATOM 1437 CA ALA A 92 3.934 5.558 -7.401 1.00 0.00 C ATOM 1438 C ALA A 92 5.193 5.945 -6.632 1.00 0.00 C ATOM 1439 O ALA A 92 5.698 7.058 -6.779 1.00 0.00 O ATOM 1440 CB ALA A 92 4.216 5.510 -8.894 1.00 0.00 C ATOM 0 H ALA A 92 3.180 7.475 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 92 3.619 4.566 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.016 4.797 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.316 5.200 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.518 6.499 -9.239 1.00 0.00 H new ATOM 1446 N LEU A 93 5.688 5.036 -5.799 1.00 0.00 N ATOM 1447 CA LEU A 93 6.880 5.310 -4.999 1.00 0.00 C ATOM 1448 C LEU A 93 8.053 4.428 -5.413 1.00 0.00 C ATOM 1449 O LEU A 93 7.879 3.423 -6.103 1.00 0.00 O ATOM 1450 CB LEU A 93 6.577 5.100 -3.514 1.00 0.00 C ATOM 1451 CG LEU A 93 5.198 5.582 -3.059 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.122 4.589 -3.469 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.182 5.795 -1.552 1.00 0.00 C ATOM 0 H LEU A 93 5.287 4.109 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 93 7.161 6.349 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.666 4.038 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.337 5.616 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 93 4.987 6.534 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.149 4.949 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.119 4.483 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.326 3.621 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.194 6.138 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.414 4.856 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.927 6.544 -1.282 1.00 0.00 H new ATOM 1465 N ASP A 94 9.250 4.812 -4.973 1.00 0.00 N ATOM 1466 CA ASP A 94 10.463 4.063 -5.280 1.00 0.00 C ATOM 1467 C ASP A 94 11.059 3.476 -4.004 1.00 0.00 C ATOM 1468 O ASP A 94 11.539 4.209 -3.139 1.00 0.00 O ATOM 1469 CB ASP A 94 11.487 4.970 -5.967 1.00 0.00 C ATOM 1470 CG ASP A 94 10.995 5.488 -7.304 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.764 5.508 -7.516 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.840 5.873 -8.139 1.00 0.00 O ATOM 0 H ASP A 94 9.404 5.642 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 94 10.206 3.248 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.716 5.813 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.416 4.419 -6.113 1.00 0.00 H new ATOM 1477 N LEU A 95 11.018 2.153 -3.884 1.00 0.00 N ATOM 1478 CA LEU A 95 11.544 1.478 -2.706 1.00 0.00 C ATOM 1479 C LEU A 95 12.944 0.925 -2.964 1.00 0.00 C ATOM 1480 O LEU A 95 13.094 -0.149 -3.556 1.00 0.00 O ATOM 1481 CB LEU A 95 10.611 0.338 -2.290 1.00 0.00 C ATOM 1482 CG LEU A 95 10.360 0.202 -0.786 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.576 -1.067 -0.494 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.671 0.208 -0.014 1.00 0.00 C ATOM 0 H LEU A 95 10.626 1.528 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 95 11.606 2.211 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.652 0.477 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.028 -0.600 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 95 9.771 1.059 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.405 -1.150 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.618 -1.030 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.142 -1.932 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.466 0.110 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.290 -0.627 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.197 1.145 -0.198 1.00 0.00 H new ATOM 1496 N ARG A 96 13.963 1.655 -2.511 1.00 0.00 N ATOM 1497 CA ARG A 96 15.347 1.229 -2.684 1.00 0.00 C ATOM 1498 C ARG A 96 15.880 0.610 -1.394 1.00 0.00 C ATOM 1499 O ARG A 96 15.901 1.254 -0.341 1.00 0.00 O ATOM 1500 CB ARG A 96 16.232 2.403 -3.117 1.00 0.00 C ATOM 1501 CG ARG A 96 15.462 3.647 -3.543 1.00 0.00 C ATOM 1502 CD ARG A 96 14.635 3.389 -4.795 1.00 0.00 C ATOM 1503 NE ARG A 96 15.389 2.660 -5.812 1.00 0.00 N ATOM 1504 CZ ARG A 96 14.826 1.966 -6.799 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.505 1.906 -6.909 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.586 1.332 -7.681 1.00 0.00 N ATOM 0 H ARG A 96 13.854 2.543 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 96 15.373 0.475 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.895 2.665 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.864 2.080 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.807 3.966 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.161 4.463 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.743 2.821 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.296 4.339 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 96 16.408 2.684 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.914 2.393 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.080 1.373 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.602 1.376 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.155 0.800 -8.437 1.00 0.00 H new ATOM 1520 N ILE A 97 16.294 -0.649 -1.479 1.00 0.00 N ATOM 1521 CA ILE A 97 16.808 -1.361 -0.315 1.00 0.00 C ATOM 1522 C ILE A 97 18.163 -1.999 -0.595 1.00 0.00 C ATOM 1523 O ILE A 97 18.335 -2.713 -1.583 1.00 0.00 O ATOM 1524 CB ILE A 97 15.829 -2.459 0.139 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.398 -1.914 0.183 1.00 0.00 C ATOM 1526 CG2 ILE A 97 16.240 -3.005 1.498 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.434 -2.684 -0.693 1.00 0.00 C ATOM 0 H ILE A 97 16.284 -1.197 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 97 16.922 -0.620 0.476 1.00 0.00 H new ATOM 0 HB ILE A 97 15.861 -3.276 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.040 -1.937 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.405 -0.869 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.539 -3.780 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.242 -3.428 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 97 16.234 -2.198 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.440 -2.244 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.769 -2.639 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.398 -3.724 -0.368 1.00 0.00 H new ATOM 1539 N LEU A 98 19.123 -1.740 0.288 1.00 0.00 N ATOM 1540 CA LEU A 98 20.450 -2.275 0.162 1.00 0.00 C ATOM 1541 C LEU A 98 20.514 -3.693 0.712 1.00 0.00 C ATOM 1542 O LEU A 98 19.579 -4.171 1.358 1.00 0.00 O ATOM 1543 CB LEU A 98 21.409 -1.371 0.920 1.00 0.00 C ATOM 1544 CG LEU A 98 22.003 -0.228 0.099 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.872 0.663 0.972 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.801 -0.773 -1.076 1.00 0.00 C ATOM 0 H LEU A 98 18.989 -1.150 1.109 1.00 0.00 H new ATOM 0 HA LEU A 98 20.729 -2.315 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.885 -0.949 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 98 22.224 -1.979 1.312 1.00 0.00 H new ATOM 0 HG LEU A 98 21.184 0.375 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 98 23.286 1.471 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 98 22.269 1.083 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.685 0.074 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.216 0.056 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.612 -1.400 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.147 -1.365 -1.716 1.00 0.00 H new ATOM 1558 N GLU A 99 21.628 -4.353 0.451 1.00 0.00 N ATOM 1559 CA GLU A 99 21.841 -5.720 0.912 1.00 0.00 C ATOM 1560 C GLU A 99 22.786 -5.749 2.109 1.00 0.00 C ATOM 1561 O GLU A 99 23.175 -4.661 2.581 1.00 0.00 O ATOM 1562 CB GLU A 99 22.406 -6.579 -0.221 1.00 0.00 C ATOM 1563 CG GLU A 99 21.383 -6.927 -1.290 1.00 0.00 C ATOM 1564 CD GLU A 99 21.914 -7.922 -2.302 1.00 0.00 C ATOM 1565 OE1 GLU A 99 23.076 -7.770 -2.732 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.166 -8.855 -2.666 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.127 -6.861 2.564 1.00 0.00 O ATOM 0 H GLU A 99 22.406 -3.964 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 99 20.879 -6.127 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.239 -6.051 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.808 -7.501 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.492 -7.338 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 99 21.078 -6.017 -1.806 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.725 4.536 7.046 1.00 0.00 CA