USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= -0.302 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot 145:sc= -0.96 USER MOD Set 2.2: A 13 HIS : no HE2:sc= -1.33! C(o=-2.3!,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.154 (180deg=0.0446) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.153 K(o=-0.15,f=-3!) USER MOD Single : A 16 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-6.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 119:sc= 1.24! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0648 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -163:sc= -0.454 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.634 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 94:sc= 0.0236 USER MOD Single : A 65 GLN : amide:sc= -0.44 K(o=-0.44,f=-2.9!) USER MOD Single : A 67 THR OG1 : rot 150:sc= -3.06! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.18) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.817 9.792 -8.861 1.00 0.00 N ATOM 2 CA MET A 1 -9.453 9.530 -9.406 1.00 0.00 C ATOM 3 C MET A 1 -8.470 9.251 -8.265 1.00 0.00 C ATOM 4 O MET A 1 -7.714 10.112 -7.859 1.00 0.00 O ATOM 5 CB MET A 1 -9.071 10.815 -10.142 1.00 0.00 C ATOM 6 CG MET A 1 -9.405 10.673 -11.627 1.00 0.00 C ATOM 7 SD MET A 1 -11.064 11.330 -11.934 1.00 0.00 S ATOM 8 CE MET A 1 -10.563 13.021 -12.340 1.00 0.00 C ATOM 0 H1 MET A 1 -11.377 10.314 -9.564 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.285 8.888 -8.647 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.741 10.357 -7.991 1.00 0.00 H new ATOM 0 HA MET A 1 -9.429 8.660 -10.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.608 11.663 -9.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.007 11.016 -10.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.672 11.210 -12.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.356 9.625 -11.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.446 13.617 -12.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.039 13.459 -11.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.901 13.006 -13.206 1.00 0.00 H new ATOM 20 N VAL A 2 -8.474 8.053 -7.743 1.00 0.00 N ATOM 21 CA VAL A 2 -7.539 7.720 -6.627 1.00 0.00 C ATOM 22 C VAL A 2 -6.549 6.641 -7.076 1.00 0.00 C ATOM 23 O VAL A 2 -6.904 5.717 -7.781 1.00 0.00 O ATOM 24 CB VAL A 2 -8.431 7.191 -5.503 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.583 6.945 -4.253 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.518 8.220 -5.180 1.00 0.00 C ATOM 0 H VAL A 2 -9.083 7.291 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.953 8.582 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.896 6.258 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.218 6.568 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.808 6.212 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.118 7.880 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.152 7.840 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.053 9.153 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.124 8.400 -6.068 1.00 0.00 H new ATOM 36 N LYS A 3 -5.309 6.751 -6.681 1.00 0.00 N ATOM 37 CA LYS A 3 -4.307 5.727 -7.097 1.00 0.00 C ATOM 38 C LYS A 3 -3.354 5.394 -5.942 1.00 0.00 C ATOM 39 O LYS A 3 -2.975 6.252 -5.166 1.00 0.00 O ATOM 40 CB LYS A 3 -3.546 6.371 -8.256 1.00 0.00 C ATOM 41 CG LYS A 3 -2.772 7.592 -7.753 1.00 0.00 C ATOM 42 CD LYS A 3 -1.951 8.182 -8.901 1.00 0.00 C ATOM 43 CE LYS A 3 -1.005 7.113 -9.453 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.088 7.847 -10.368 1.00 0.00 N ATOM 0 H LYS A 3 -4.948 7.501 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.779 4.788 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.858 5.649 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.243 6.668 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.463 8.340 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.115 7.307 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.613 8.539 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.380 9.042 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.453 6.622 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.554 6.336 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.592 7.180 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.641 8.298 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.426 8.576 -9.833 1.00 0.00 H new ATOM 58 N ILE A 4 -2.963 4.151 -5.829 1.00 0.00 N ATOM 59 CA ILE A 4 -2.032 3.754 -4.738 1.00 0.00 C ATOM 60 C ILE A 4 -0.613 3.651 -5.309 1.00 0.00 C ATOM 61 O ILE A 4 -0.410 3.162 -6.402 1.00 0.00 O ATOM 62 CB ILE A 4 -2.558 2.403 -4.225 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.715 2.655 -3.256 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.450 1.627 -3.498 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.844 3.375 -3.995 1.00 0.00 C ATOM 0 H ILE A 4 -3.251 3.394 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.987 4.473 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.896 1.811 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.076 1.711 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.375 3.257 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.845 0.675 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.623 1.444 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.094 2.211 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.671 3.557 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.478 4.326 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.190 2.756 -4.823 1.00 0.00 H new ATOM 77 N ARG A 5 0.366 4.113 -4.583 1.00 0.00 N ATOM 78 CA ARG A 5 1.762 4.045 -5.097 1.00 0.00 C ATOM 79 C ARG A 5 2.761 3.947 -3.944 1.00 0.00 C ATOM 80 O ARG A 5 2.398 3.697 -2.814 1.00 0.00 O ATOM 81 CB ARG A 5 1.962 5.346 -5.879 1.00 0.00 C ATOM 82 CG ARG A 5 1.870 6.541 -4.927 1.00 0.00 C ATOM 83 CD ARG A 5 1.878 7.840 -5.738 1.00 0.00 C ATOM 84 NE ARG A 5 3.310 8.066 -6.090 1.00 0.00 N ATOM 85 CZ ARG A 5 4.170 8.472 -5.183 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.796 8.680 -3.945 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.416 8.669 -5.521 1.00 0.00 N ATOM 0 H ARG A 5 0.261 4.533 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 5 1.924 3.165 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.933 5.338 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.206 5.432 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.959 6.477 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.708 6.530 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.261 7.751 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.479 8.671 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 5 3.625 7.903 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.825 8.527 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.476 8.995 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.715 8.508 -6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.090 8.984 -4.823 1.00 0.00 H new ATOM 101 N LEU A 6 4.021 4.159 -4.222 1.00 0.00 N ATOM 102 CA LEU A 6 5.043 4.092 -3.140 1.00 0.00 C ATOM 103 C LEU A 6 5.211 5.465 -2.499 1.00 0.00 C ATOM 104 O LEU A 6 5.278 6.474 -3.172 1.00 0.00 O ATOM 105 CB LEU A 6 6.347 3.680 -3.826 1.00 0.00 C ATOM 106 CG LEU A 6 6.290 2.209 -4.238 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.648 1.785 -4.799 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.950 1.338 -3.024 1.00 0.00 C ATOM 0 H LEU A 6 4.384 4.375 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 6 4.756 3.390 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.517 4.304 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.188 3.843 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 6 5.520 2.081 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.609 0.736 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.890 2.397 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.415 1.919 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.911 0.291 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.715 1.466 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.981 1.636 -2.623 1.00 0.00 H new ATOM 120 N ALA A 7 5.269 5.511 -1.202 1.00 0.00 N ATOM 121 CA ALA A 7 5.420 6.820 -0.513 1.00 0.00 C ATOM 122 C ALA A 7 6.838 6.998 0.019 1.00 0.00 C ATOM 123 O ALA A 7 7.205 6.431 1.027 1.00 0.00 O ATOM 124 CB ALA A 7 4.432 6.742 0.637 1.00 0.00 C ATOM 0 H ALA A 7 5.218 4.699 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 7 5.236 7.663 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.468 7.668 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.426 6.598 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.692 5.904 1.284 1.00 0.00 H new ATOM 130 N ARG A 8 7.634 7.787 -0.648 1.00 0.00 N ATOM 131 CA ARG A 8 9.028 8.004 -0.185 1.00 0.00 C ATOM 132 C ARG A 8 9.059 8.897 1.056 1.00 0.00 C ATOM 133 O ARG A 8 8.627 10.032 1.033 1.00 0.00 O ATOM 134 CB ARG A 8 9.737 8.684 -1.355 1.00 0.00 C ATOM 135 CG ARG A 8 11.250 8.625 -1.138 1.00 0.00 C ATOM 136 CD ARG A 8 11.830 10.040 -1.193 1.00 0.00 C ATOM 137 NE ARG A 8 13.053 9.921 -2.039 1.00 0.00 N ATOM 138 CZ ARG A 8 13.953 10.877 -2.058 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.800 11.961 -1.338 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.013 10.746 -2.807 1.00 0.00 N ATOM 0 H ARG A 8 7.376 8.291 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 8 9.510 7.068 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.473 8.190 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.411 9.721 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.472 8.167 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.713 8.001 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.117 10.743 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.074 10.406 -0.196 1.00 0.00 H new ATOM 0 HE ARG A 8 13.192 9.087 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.973 12.071 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.508 12.695 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.138 9.906 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.717 11.484 -2.828 1.00 0.00 H new ATOM 154 N PHE A 9 9.571 8.384 2.141 1.00 0.00 N ATOM 155 CA PHE A 9 9.640 9.192 3.398 1.00 0.00 C ATOM 156 C PHE A 9 11.078 9.635 3.660 1.00 0.00 C ATOM 157 O PHE A 9 11.388 10.809 3.688 1.00 0.00 O ATOM 158 CB PHE A 9 9.188 8.254 4.524 1.00 0.00 C ATOM 159 CG PHE A 9 7.966 7.483 4.108 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.772 8.149 3.821 1.00 0.00 C ATOM 161 CD2 PHE A 9 8.035 6.095 4.012 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.651 7.417 3.438 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.918 5.365 3.629 1.00 0.00 C ATOM 164 CZ PHE A 9 5.728 6.025 3.343 1.00 0.00 C ATOM 0 H PHE A 9 9.946 7.438 2.214 1.00 0.00 H new ATOM 0 HA PHE A 9 9.018 10.084 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.993 7.563 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.972 8.832 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.719 9.225 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.960 5.585 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.724 7.924 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.973 4.289 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.858 5.458 3.046 1.00 0.00 H new ATOM 174 N GLY A 10 11.954 8.691 3.869 1.00 0.00 N ATOM 175 CA GLY A 10 13.372 9.031 4.152 1.00 0.00 C ATOM 176 C GLY A 10 13.927 9.942 3.055 1.00 0.00 C ATOM 177 O GLY A 10 13.393 10.023 1.966 1.00 0.00 O ATOM 0 H GLY A 10 11.744 7.693 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.448 9.527 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.967 8.120 4.213 1.00 0.00 H new ATOM 181 N SER A 11 15.002 10.624 3.339 1.00 0.00 N ATOM 182 CA SER A 11 15.617 11.534 2.326 1.00 0.00 C ATOM 183 C SER A 11 16.567 10.744 1.424 1.00 0.00 C ATOM 184 O SER A 11 16.237 10.391 0.309 1.00 0.00 O ATOM 185 CB SER A 11 16.410 12.574 3.130 1.00 0.00 C ATOM 186 OG SER A 11 16.629 12.090 4.450 1.00 0.00 O ATOM 0 H SER A 11 15.486 10.591 4.236 1.00 0.00 H new ATOM 0 HA SER A 11 14.863 11.999 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.364 12.775 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.864 13.517 3.163 1.00 0.00 H new ATOM 0 HG SER A 11 17.509 12.384 4.765 1.00 0.00 H new ATOM 192 N LYS A 12 17.749 10.473 1.900 1.00 0.00 N ATOM 193 CA LYS A 12 18.739 9.713 1.083 1.00 0.00 C ATOM 194 C LYS A 12 19.541 8.801 2.004 1.00 0.00 C ATOM 195 O LYS A 12 20.741 8.666 1.876 1.00 0.00 O ATOM 196 CB LYS A 12 19.659 10.770 0.462 1.00 0.00 C ATOM 197 CG LYS A 12 18.833 11.938 -0.087 1.00 0.00 C ATOM 198 CD LYS A 12 19.688 12.766 -1.048 1.00 0.00 C ATOM 199 CE LYS A 12 19.469 12.272 -2.479 1.00 0.00 C ATOM 200 NZ LYS A 12 20.779 12.471 -3.159 1.00 0.00 N ATOM 0 H LYS A 12 18.076 10.747 2.827 1.00 0.00 H new ATOM 0 HA LYS A 12 18.265 9.098 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.363 11.134 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.248 10.324 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.950 11.561 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.480 12.564 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.423 13.821 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.741 12.682 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.172 11.223 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.678 12.835 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.709 12.155 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.033 13.479 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.512 11.918 -2.670 1.00 0.00 H new ATOM 214 N HIS A 13 18.886 8.196 2.951 1.00 0.00 N ATOM 215 CA HIS A 13 19.606 7.311 3.912 1.00 0.00 C ATOM 216 C HIS A 13 18.930 5.940 3.939 1.00 0.00 C ATOM 217 O HIS A 13 19.501 4.944 3.542 1.00 0.00 O ATOM 218 CB HIS A 13 19.491 8.003 5.285 1.00 0.00 C ATOM 219 CG HIS A 13 19.488 9.507 5.118 1.00 0.00 C ATOM 220 ND1 HIS A 13 20.546 10.191 4.542 1.00 0.00 N ATOM 221 CD2 HIS A 13 18.539 10.456 5.401 1.00 0.00 C ATOM 222 CE1 HIS A 13 20.203 11.493 4.495 1.00 0.00 C ATOM 223 NE2 HIS A 13 18.997 11.707 5.009 1.00 0.00 N ATOM 0 H HIS A 13 17.881 8.274 3.104 1.00 0.00 H new ATOM 0 HA HIS A 13 20.650 7.159 3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.576 7.684 5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 13 20.323 7.703 5.922 1.00 0.00 H new ATOM 0 HD1 HIS A 13 21.422 9.784 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.581 10.260 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.833 12.270 4.088 1.00 0.00 H new ATOM 231 N ASN A 14 17.705 5.888 4.386 1.00 0.00 N ATOM 232 CA ASN A 14 16.973 4.590 4.420 1.00 0.00 C ATOM 233 C ASN A 14 15.933 4.565 3.292 1.00 0.00 C ATOM 234 O ASN A 14 14.891 5.180 3.404 1.00 0.00 O ATOM 235 CB ASN A 14 16.286 4.555 5.785 1.00 0.00 C ATOM 236 CG ASN A 14 16.005 3.104 6.177 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.375 2.188 5.469 1.00 0.00 O ATOM 238 ND2 ASN A 14 15.360 2.853 7.284 1.00 0.00 N ATOM 0 H ASN A 14 17.178 6.691 4.730 1.00 0.00 H new ATOM 0 HA ASN A 14 17.630 3.731 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.919 5.029 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.355 5.120 5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.167 1.889 7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.049 3.621 7.879 1.00 0.00 H new ATOM 245 N PRO A 15 16.255 3.871 2.228 1.00 0.00 N ATOM 246 CA PRO A 15 15.330 3.796 1.068 1.00 0.00 C ATOM 247 C PRO A 15 14.129 2.893 1.375 1.00 0.00 C ATOM 248 O PRO A 15 14.250 1.686 1.450 1.00 0.00 O ATOM 249 CB PRO A 15 16.192 3.189 -0.036 1.00 0.00 C ATOM 250 CG PRO A 15 17.259 2.421 0.678 1.00 0.00 C ATOM 251 CD PRO A 15 17.488 3.103 2.002 1.00 0.00 C ATOM 0 HA PRO A 15 14.911 4.766 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.603 2.538 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.622 3.964 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.954 1.385 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.177 2.402 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.658 2.379 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.362 3.753 1.970 1.00 0.00 H new ATOM 259 N HIS A 16 12.966 3.469 1.532 1.00 0.00 N ATOM 260 CA HIS A 16 11.755 2.641 1.810 1.00 0.00 C ATOM 261 C HIS A 16 10.486 3.455 1.584 1.00 0.00 C ATOM 262 O HIS A 16 10.311 4.526 2.129 1.00 0.00 O ATOM 263 CB HIS A 16 11.857 2.219 3.282 1.00 0.00 C ATOM 264 CG HIS A 16 11.851 3.434 4.174 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.685 4.126 4.508 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.871 4.092 4.814 1.00 0.00 C ATOM 267 CE1 HIS A 16 11.047 5.148 5.310 1.00 0.00 C ATOM 268 NE2 HIS A 16 12.363 5.171 5.528 1.00 0.00 N ATOM 0 H HIS A 16 12.802 4.474 1.480 1.00 0.00 H new ATOM 0 HA HIS A 16 11.707 1.777 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 11.023 1.566 3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.771 1.647 3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.913 3.813 4.770 1.00 0.00 H new ATOM 0 HE1 HIS A 16 10.353 5.863 5.727 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.885 5.838 6.097 1.00 0.00 H new ATOM 276 N TYR A 17 9.587 2.955 0.790 1.00 0.00 N ATOM 277 CA TYR A 17 8.324 3.685 0.553 1.00 0.00 C ATOM 278 C TYR A 17 7.176 2.823 1.026 1.00 0.00 C ATOM 279 O TYR A 17 7.277 1.616 1.017 1.00 0.00 O ATOM 280 CB TYR A 17 8.177 3.831 -0.955 1.00 0.00 C ATOM 281 CG TYR A 17 9.449 4.280 -1.617 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.378 5.054 -0.928 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.676 3.930 -2.947 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.538 5.478 -1.566 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.829 4.351 -3.592 1.00 0.00 C ATOM 286 CZ TYR A 17 11.771 5.129 -2.905 1.00 0.00 C ATOM 287 OH TYR A 17 12.920 5.551 -3.545 1.00 0.00 O ATOM 0 H TYR A 17 9.676 2.068 0.294 1.00 0.00 H new ATOM 0 HA TYR A 17 8.325 4.646 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.867 2.877 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.386 4.549 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.198 5.325 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.952 3.329 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.260 6.076 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.001 4.080 -4.623 1.00 0.00 H new ATOM 0 HH TYR A 17 12.922 5.219 -4.467 1.00 0.00 H new ATOM 297 N ARG A 18 6.067 3.397 1.373 1.00 0.00 N ATOM 298 CA ARG A 18 4.934 2.521 1.752 1.00 0.00 C ATOM 299 C ARG A 18 3.957 2.501 0.583 1.00 0.00 C ATOM 300 O ARG A 18 4.050 3.310 -0.320 1.00 0.00 O ATOM 301 CB ARG A 18 4.336 3.086 3.060 1.00 0.00 C ATOM 302 CG ARG A 18 3.082 3.937 2.799 1.00 0.00 C ATOM 303 CD ARG A 18 2.654 4.612 4.102 1.00 0.00 C ATOM 304 NE ARG A 18 2.462 3.490 5.068 1.00 0.00 N ATOM 305 CZ ARG A 18 2.476 3.707 6.362 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.660 4.911 6.843 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.306 2.708 7.184 1.00 0.00 N ATOM 0 H ARG A 18 5.896 4.402 1.411 1.00 0.00 H new ATOM 0 HA ARG A 18 5.222 1.488 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.083 2.263 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.086 3.691 3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.290 4.688 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.275 3.311 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.413 5.311 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.734 5.181 3.969 1.00 0.00 H new ATOM 0 HE ARG A 18 2.318 2.543 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.795 5.698 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.668 5.061 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.163 1.766 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.316 2.869 8.191 1.00 0.00 H new ATOM 321 N ILE A 19 3.016 1.614 0.590 1.00 0.00 N ATOM 322 CA ILE A 19 2.046 1.590 -0.515 1.00 0.00 C ATOM 323 C ILE A 19 0.847 2.328 0.035 1.00 0.00 C ATOM 324 O ILE A 19 -0.025 1.765 0.657 1.00 0.00 O ATOM 325 CB ILE A 19 1.731 0.117 -0.844 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.738 -0.865 -0.226 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.800 -0.081 -2.353 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.145 -0.502 -0.693 1.00 0.00 C ATOM 0 H ILE A 19 2.879 0.907 1.312 1.00 0.00 H new ATOM 0 HA ILE A 19 2.392 2.052 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 19 0.742 -0.087 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.682 -0.826 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.496 -1.886 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.578 -1.121 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.071 0.568 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.800 0.168 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.863 -1.196 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.195 -0.564 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.383 0.513 -0.376 1.00 0.00 H new ATOM 340 N VAL A 20 0.876 3.616 -0.111 1.00 0.00 N ATOM 341 CA VAL A 20 -0.172 4.468 0.477 1.00 0.00 C ATOM 342 C VAL A 20 -1.225 4.852 -0.567 1.00 0.00 C ATOM 343 O VAL A 20 -1.076 4.592 -1.745 1.00 0.00 O ATOM 344 CB VAL A 20 0.647 5.668 1.001 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.651 6.834 0.012 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.090 6.137 2.339 1.00 0.00 C ATOM 0 H VAL A 20 1.599 4.121 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.759 3.992 1.262 1.00 0.00 H new ATOM 0 HB VAL A 20 1.676 5.330 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.238 7.656 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.089 6.509 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.372 7.169 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.674 6.983 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.949 6.441 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.146 5.323 3.062 1.00 0.00 H new ATOM 356 N VAL A 21 -2.298 5.445 -0.130 1.00 0.00 N ATOM 357 CA VAL A 21 -3.382 5.822 -1.081 1.00 0.00 C ATOM 358 C VAL A 21 -3.474 7.345 -1.201 1.00 0.00 C ATOM 359 O VAL A 21 -3.820 8.028 -0.261 1.00 0.00 O ATOM 360 CB VAL A 21 -4.688 5.252 -0.491 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.676 5.016 -1.621 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.441 3.917 0.221 1.00 0.00 C ATOM 0 H VAL A 21 -2.473 5.686 0.845 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.192 5.427 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.078 5.969 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.604 4.613 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.881 5.959 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.253 4.307 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.381 3.541 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.037 3.195 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.729 4.064 1.033 1.00 0.00 H new ATOM 372 N THR A 22 -3.168 7.883 -2.351 1.00 0.00 N ATOM 373 CA THR A 22 -3.245 9.364 -2.519 1.00 0.00 C ATOM 374 C THR A 22 -3.811 9.717 -3.897 1.00 0.00 C ATOM 375 O THR A 22 -4.329 8.875 -4.602 1.00 0.00 O ATOM 376 CB THR A 22 -1.806 9.869 -2.380 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.756 11.249 -2.714 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.882 9.083 -3.313 1.00 0.00 C ATOM 0 H THR A 22 -2.870 7.365 -3.177 1.00 0.00 H new ATOM 0 HA THR A 22 -3.904 9.822 -1.781 1.00 0.00 H new ATOM 0 HB THR A 22 -1.475 9.728 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.453 11.763 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.139 9.449 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.917 8.025 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.209 9.214 -4.344 1.00 0.00 H new ATOM 386 N ASP A 23 -3.718 10.959 -4.284 1.00 0.00 N ATOM 387 CA ASP A 23 -4.253 11.371 -5.613 1.00 0.00 C ATOM 388 C ASP A 23 -3.117 11.846 -6.521 1.00 0.00 C ATOM 389 O ASP A 23 -1.982 11.959 -6.105 1.00 0.00 O ATOM 390 CB ASP A 23 -5.211 12.523 -5.310 1.00 0.00 C ATOM 391 CG ASP A 23 -6.649 12.083 -5.587 1.00 0.00 C ATOM 392 OD1 ASP A 23 -7.061 12.162 -6.732 1.00 0.00 O ATOM 393 OD2 ASP A 23 -7.313 11.673 -4.650 1.00 0.00 O ATOM 0 H ASP A 23 -3.294 11.708 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.748 10.549 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.108 12.830 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.960 13.388 -5.924 1.00 0.00 H new ATOM 398 N ALA A 24 -3.416 12.129 -7.758 1.00 0.00 N ATOM 399 CA ALA A 24 -2.355 12.600 -8.693 1.00 0.00 C ATOM 400 C ALA A 24 -2.327 14.131 -8.730 1.00 0.00 C ATOM 401 O ALA A 24 -2.520 14.741 -9.763 1.00 0.00 O ATOM 402 CB ALA A 24 -2.751 12.034 -10.058 1.00 0.00 C ATOM 0 H ALA A 24 -4.349 12.055 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.360 12.272 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.017 12.337 -10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.786 10.946 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.733 12.415 -10.339 1.00 0.00 H new ATOM 408 N ARG A 25 -2.095 14.755 -7.608 1.00 0.00 N ATOM 409 CA ARG A 25 -2.060 16.242 -7.575 1.00 0.00 C ATOM 410 C ARG A 25 -0.833 16.765 -8.332 1.00 0.00 C ATOM 411 O ARG A 25 -0.917 17.130 -9.489 1.00 0.00 O ATOM 412 CB ARG A 25 -1.978 16.604 -6.091 1.00 0.00 C ATOM 413 CG ARG A 25 -3.335 17.125 -5.614 1.00 0.00 C ATOM 414 CD ARG A 25 -3.121 18.224 -4.569 1.00 0.00 C ATOM 415 NE ARG A 25 -4.235 19.192 -4.791 1.00 0.00 N ATOM 416 CZ ARG A 25 -4.373 20.245 -4.020 1.00 0.00 C ATOM 417 NH1 ARG A 25 -3.534 20.479 -3.040 1.00 0.00 N ATOM 418 NH2 ARG A 25 -5.358 21.074 -4.235 1.00 0.00 N ATOM 0 H ARG A 25 -1.928 14.297 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.933 16.686 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.688 15.730 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.210 17.361 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.903 17.516 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.919 16.310 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.147 17.817 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.150 18.704 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.897 19.033 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.760 19.838 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.656 21.302 -2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.013 20.901 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.473 21.895 -3.641 1.00 0.00 H new ATOM 432 N ARG A 26 0.304 16.806 -7.691 1.00 0.00 N ATOM 433 CA ARG A 26 1.531 17.309 -8.379 1.00 0.00 C ATOM 434 C ARG A 26 2.670 16.295 -8.248 1.00 0.00 C ATOM 435 O ARG A 26 2.465 15.159 -7.868 1.00 0.00 O ATOM 436 CB ARG A 26 1.887 18.606 -7.656 1.00 0.00 C ATOM 437 CG ARG A 26 1.108 19.766 -8.275 1.00 0.00 C ATOM 438 CD ARG A 26 0.892 20.853 -7.220 1.00 0.00 C ATOM 439 NE ARG A 26 -0.219 21.692 -7.754 1.00 0.00 N ATOM 440 CZ ARG A 26 -0.716 22.679 -7.046 1.00 0.00 C ATOM 441 NH1 ARG A 26 -0.235 22.966 -5.862 1.00 0.00 N ATOM 442 NH2 ARG A 26 -1.701 23.388 -7.530 1.00 0.00 N ATOM 0 H ARG A 26 0.438 16.514 -6.723 1.00 0.00 H new ATOM 0 HA ARG A 26 1.368 17.466 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.650 18.520 -6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.958 18.793 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.655 20.173 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.148 19.414 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.631 20.420 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.796 21.443 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.597 21.496 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.536 22.419 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.632 23.736 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.079 23.173 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.092 24.157 -6.985 1.00 0.00 H new ATOM 456 N LYS A 27 3.872 16.698 -8.563 1.00 0.00 N ATOM 457 CA LYS A 27 5.026 15.758 -8.458 1.00 0.00 C ATOM 458 C LYS A 27 5.817 16.023 -7.172 1.00 0.00 C ATOM 459 O LYS A 27 6.546 15.175 -6.697 1.00 0.00 O ATOM 460 CB LYS A 27 5.888 16.051 -9.687 1.00 0.00 C ATOM 461 CG LYS A 27 5.339 15.282 -10.891 1.00 0.00 C ATOM 462 CD LYS A 27 5.678 16.038 -12.179 1.00 0.00 C ATOM 463 CE LYS A 27 6.281 15.068 -13.197 1.00 0.00 C ATOM 464 NZ LYS A 27 5.177 14.781 -14.156 1.00 0.00 N ATOM 0 H LYS A 27 4.105 17.636 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 27 4.705 14.717 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.891 17.121 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.921 15.761 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.767 14.280 -10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.259 15.165 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.780 16.500 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.382 16.843 -11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.139 15.510 -13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.631 14.156 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.514 14.121 -14.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.377 14.355 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.869 15.667 -14.606 1.00 0.00 H new ATOM 478 N ARG A 28 5.678 17.191 -6.604 1.00 0.00 N ATOM 479 CA ARG A 28 6.424 17.503 -5.350 1.00 0.00 C ATOM 480 C ARG A 28 5.458 17.576 -4.163 1.00 0.00 C ATOM 481 O ARG A 28 5.439 18.539 -3.424 1.00 0.00 O ATOM 482 CB ARG A 28 7.075 18.867 -5.603 1.00 0.00 C ATOM 483 CG ARG A 28 5.992 19.938 -5.765 1.00 0.00 C ATOM 484 CD ARG A 28 6.167 21.012 -4.688 1.00 0.00 C ATOM 485 NE ARG A 28 6.577 22.240 -5.430 1.00 0.00 N ATOM 486 CZ ARG A 28 5.724 22.876 -6.199 1.00 0.00 C ATOM 487 NH1 ARG A 28 4.492 22.453 -6.334 1.00 0.00 N ATOM 488 NH2 ARG A 28 6.108 23.946 -6.840 1.00 0.00 N ATOM 0 H ARG A 28 5.082 17.941 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 28 7.163 16.740 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.733 19.125 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.694 18.824 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.057 20.388 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.004 19.485 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.240 21.174 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.923 20.720 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 28 7.531 22.589 -5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.182 21.617 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.842 22.959 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.066 24.283 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.450 24.445 -7.439 1.00 0.00 H new ATOM 502 N ASP A 29 4.654 16.565 -3.980 1.00 0.00 N ATOM 503 CA ASP A 29 3.686 16.579 -2.846 1.00 0.00 C ATOM 504 C ASP A 29 3.871 15.335 -1.972 1.00 0.00 C ATOM 505 O ASP A 29 4.807 14.579 -2.139 1.00 0.00 O ATOM 506 CB ASP A 29 2.307 16.573 -3.504 1.00 0.00 C ATOM 507 CG ASP A 29 1.357 17.468 -2.707 1.00 0.00 C ATOM 508 OD1 ASP A 29 0.816 16.993 -1.721 1.00 0.00 O ATOM 509 OD2 ASP A 29 1.188 18.612 -3.094 1.00 0.00 O ATOM 0 H ASP A 29 4.625 15.730 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 29 3.825 17.443 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.381 16.928 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.917 15.556 -3.545 1.00 0.00 H new ATOM 514 N GLY A 30 2.981 15.119 -1.042 1.00 0.00 N ATOM 515 CA GLY A 30 3.100 13.927 -0.157 1.00 0.00 C ATOM 516 C GLY A 30 1.869 13.843 0.745 1.00 0.00 C ATOM 517 O GLY A 30 1.973 13.844 1.956 1.00 0.00 O ATOM 0 H GLY A 30 2.176 15.718 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.188 13.021 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.004 13.997 0.448 1.00 0.00 H new ATOM 521 N LYS A 31 0.703 13.775 0.167 1.00 0.00 N ATOM 522 CA LYS A 31 -0.532 13.698 0.996 1.00 0.00 C ATOM 523 C LYS A 31 -1.405 12.519 0.557 1.00 0.00 C ATOM 524 O LYS A 31 -2.011 12.540 -0.496 1.00 0.00 O ATOM 525 CB LYS A 31 -1.258 15.020 0.745 1.00 0.00 C ATOM 526 CG LYS A 31 -0.424 16.175 1.301 1.00 0.00 C ATOM 527 CD LYS A 31 -1.346 17.187 1.985 1.00 0.00 C ATOM 528 CE LYS A 31 -1.461 16.848 3.472 1.00 0.00 C ATOM 529 NZ LYS A 31 -2.299 17.936 4.049 1.00 0.00 N ATOM 0 H LYS A 31 0.551 13.769 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.306 13.545 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.424 15.159 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.239 15.004 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.311 15.798 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.130 16.658 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.952 18.196 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.332 17.170 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.924 15.872 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.480 16.811 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.424 17.774 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.830 18.852 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.229 17.942 3.583 1.00 0.00 H new ATOM 543 N TYR A 32 -1.482 11.495 1.362 1.00 0.00 N ATOM 544 CA TYR A 32 -2.328 10.320 0.998 1.00 0.00 C ATOM 545 C TYR A 32 -3.512 10.207 1.955 1.00 0.00 C ATOM 546 O TYR A 32 -3.442 10.607 3.101 1.00 0.00 O ATOM 547 CB TYR A 32 -1.432 9.080 1.120 1.00 0.00 C ATOM 548 CG TYR A 32 -0.660 9.116 2.421 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.314 8.864 3.632 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.710 9.403 2.412 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.597 8.899 4.835 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.427 9.439 3.614 1.00 0.00 C ATOM 553 CZ TYR A 32 0.774 9.187 4.826 1.00 0.00 C ATOM 554 OH TYR A 32 1.481 9.223 6.011 1.00 0.00 O ATOM 0 H TYR A 32 -0.996 11.420 2.256 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.726 10.421 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.041 8.177 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.739 9.039 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.371 8.643 3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.214 9.597 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.101 8.704 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.484 9.661 3.606 1.00 0.00 H new ATOM 0 HH TYR A 32 2.419 9.436 5.826 1.00 0.00 H new ATOM 564 N ILE A 33 -4.598 9.659 1.492 1.00 0.00 N ATOM 565 CA ILE A 33 -5.791 9.509 2.368 1.00 0.00 C ATOM 566 C ILE A 33 -5.475 8.552 3.522 1.00 0.00 C ATOM 567 O ILE A 33 -5.489 8.929 4.677 1.00 0.00 O ATOM 568 CB ILE A 33 -6.865 8.923 1.450 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.254 9.965 0.399 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.096 8.544 2.272 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.274 9.309 -0.982 1.00 0.00 C ATOM 0 H ILE A 33 -4.712 9.307 0.541 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.108 10.449 2.820 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.475 8.032 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.234 10.382 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.544 10.792 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.859 8.127 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.819 7.803 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.490 9.431 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.551 10.049 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.285 8.913 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.001 8.497 -0.988 1.00 0.00 H new ATOM 583 N GLU A 34 -5.189 7.315 3.217 1.00 0.00 N ATOM 584 CA GLU A 34 -4.869 6.335 4.296 1.00 0.00 C ATOM 585 C GLU A 34 -3.708 5.435 3.867 1.00 0.00 C ATOM 586 O GLU A 34 -3.394 5.326 2.700 1.00 0.00 O ATOM 587 CB GLU A 34 -6.147 5.514 4.477 1.00 0.00 C ATOM 588 CG GLU A 34 -7.191 6.354 5.217 1.00 0.00 C ATOM 589 CD GLU A 34 -8.527 5.609 5.235 1.00 0.00 C ATOM 590 OE1 GLU A 34 -9.042 5.331 4.164 1.00 0.00 O ATOM 591 OE2 GLU A 34 -9.012 5.330 6.319 1.00 0.00 O ATOM 0 H GLU A 34 -5.163 6.940 2.269 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.565 6.824 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.534 5.205 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.932 4.605 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.859 6.551 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.308 7.321 4.728 1.00 0.00 H new ATOM 598 N LYS A 35 -3.067 4.788 4.803 1.00 0.00 N ATOM 599 CA LYS A 35 -1.926 3.894 4.445 1.00 0.00 C ATOM 600 C LYS A 35 -2.406 2.445 4.355 1.00 0.00 C ATOM 601 O LYS A 35 -2.886 1.881 5.319 1.00 0.00 O ATOM 602 CB LYS A 35 -0.919 4.052 5.585 1.00 0.00 C ATOM 603 CG LYS A 35 -0.594 5.534 5.784 1.00 0.00 C ATOM 604 CD LYS A 35 -1.253 6.035 7.071 1.00 0.00 C ATOM 605 CE LYS A 35 -0.207 6.731 7.941 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.982 7.358 9.047 1.00 0.00 N ATOM 0 H LYS A 35 -3.283 4.839 5.799 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.489 4.150 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.327 3.633 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.008 3.497 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.485 5.676 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.950 6.113 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.062 6.726 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.696 5.200 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.524 6.019 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.345 7.479 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.332 7.856 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.665 8.036 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.492 6.621 9.575 1.00 0.00 H new ATOM 620 N ILE A 36 -2.286 1.833 3.207 1.00 0.00 N ATOM 621 CA ILE A 36 -2.746 0.422 3.072 1.00 0.00 C ATOM 622 C ILE A 36 -1.583 -0.540 3.159 1.00 0.00 C ATOM 623 O ILE A 36 -1.748 -1.674 3.571 1.00 0.00 O ATOM 624 CB ILE A 36 -3.429 0.345 1.715 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.438 0.668 0.601 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.565 1.359 1.675 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.086 0.382 -0.753 1.00 0.00 C ATOM 0 H ILE A 36 -1.892 2.247 2.362 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.426 0.141 3.876 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.813 -0.664 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.137 1.714 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.535 0.069 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.061 1.312 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.284 1.131 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.164 2.361 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.379 0.612 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.365 -0.670 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.977 1.000 -0.868 1.00 0.00 H new ATOM 639 N GLY A 37 -0.413 -0.125 2.784 1.00 0.00 N ATOM 640 CA GLY A 37 0.717 -1.072 2.871 1.00 0.00 C ATOM 641 C GLY A 37 2.048 -0.379 3.109 1.00 0.00 C ATOM 642 O GLY A 37 2.136 0.815 3.314 1.00 0.00 O ATOM 0 H GLY A 37 -0.194 0.806 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.531 -1.779 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.773 -1.650 1.948 1.00 0.00 H new ATOM 646 N TYR A 38 3.089 -1.161 3.073 1.00 0.00 N ATOM 647 CA TYR A 38 4.466 -0.625 3.285 1.00 0.00 C ATOM 648 C TYR A 38 5.461 -1.322 2.339 1.00 0.00 C ATOM 649 O TYR A 38 5.284 -2.474 1.996 1.00 0.00 O ATOM 650 CB TYR A 38 4.791 -0.966 4.742 1.00 0.00 C ATOM 651 CG TYR A 38 6.221 -0.588 5.048 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.664 0.720 4.817 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.104 -1.546 5.562 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.989 1.069 5.102 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.428 -1.196 5.847 1.00 0.00 C ATOM 656 CZ TYR A 38 8.871 0.111 5.617 1.00 0.00 C ATOM 657 OH TYR A 38 10.177 0.456 5.900 1.00 0.00 O ATOM 0 H TYR A 38 3.045 -2.166 2.903 1.00 0.00 H new ATOM 0 HA TYR A 38 4.532 0.444 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.113 -0.434 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.641 -2.031 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.984 1.459 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.763 -2.555 5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.331 2.078 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.108 -1.935 6.245 1.00 0.00 H new ATOM 0 HH TYR A 38 10.718 -0.356 5.987 1.00 0.00 H new ATOM 667 N TYR A 39 6.526 -0.663 1.948 1.00 0.00 N ATOM 668 CA TYR A 39 7.529 -1.344 1.072 1.00 0.00 C ATOM 669 C TYR A 39 8.945 -0.874 1.443 1.00 0.00 C ATOM 670 O TYR A 39 9.232 0.306 1.441 1.00 0.00 O ATOM 671 CB TYR A 39 7.216 -0.974 -0.388 1.00 0.00 C ATOM 672 CG TYR A 39 8.329 -1.478 -1.301 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.096 -2.600 -0.937 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.595 -0.824 -2.509 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.118 -3.061 -1.776 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.617 -1.288 -3.350 1.00 0.00 C ATOM 677 CZ TYR A 39 10.378 -2.404 -2.983 1.00 0.00 C ATOM 678 OH TYR A 39 11.385 -2.854 -3.817 1.00 0.00 O ATOM 0 H TYR A 39 6.742 0.303 2.194 1.00 0.00 H new ATOM 0 HA TYR A 39 7.478 -2.425 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.263 -1.411 -0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.116 0.107 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.895 -3.108 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.012 0.039 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.704 -3.922 -1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.817 -0.783 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 39 11.430 -2.284 -4.613 1.00 0.00 H new ATOM 688 N ASP A 40 9.836 -1.773 1.756 1.00 0.00 N ATOM 689 CA ASP A 40 11.221 -1.341 2.115 1.00 0.00 C ATOM 690 C ASP A 40 12.254 -2.280 1.479 1.00 0.00 C ATOM 691 O ASP A 40 12.580 -3.307 2.040 1.00 0.00 O ATOM 692 CB ASP A 40 11.282 -1.428 3.641 1.00 0.00 C ATOM 693 CG ASP A 40 12.637 -0.913 4.134 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.531 -0.774 3.315 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.756 -0.668 5.323 1.00 0.00 O ATOM 0 H ASP A 40 9.670 -2.779 1.780 1.00 0.00 H new ATOM 0 HA ASP A 40 11.445 -0.337 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.477 -0.840 4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.135 -2.459 3.962 1.00 0.00 H new ATOM 700 N PRO A 41 12.738 -1.896 0.324 1.00 0.00 N ATOM 701 CA PRO A 41 13.744 -2.723 -0.393 1.00 0.00 C ATOM 702 C PRO A 41 15.080 -2.723 0.354 1.00 0.00 C ATOM 703 O PRO A 41 15.978 -1.969 0.036 1.00 0.00 O ATOM 704 CB PRO A 41 13.875 -2.032 -1.749 1.00 0.00 C ATOM 705 CG PRO A 41 13.455 -0.620 -1.499 1.00 0.00 C ATOM 706 CD PRO A 41 12.410 -0.670 -0.419 1.00 0.00 C ATOM 0 HA PRO A 41 13.452 -3.770 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.899 -2.081 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.241 -2.507 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.305 -0.012 -1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.054 -0.168 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.453 0.211 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.404 -0.711 -0.836 1.00 0.00 H new ATOM 714 N ARG A 42 15.219 -3.564 1.342 1.00 0.00 N ATOM 715 CA ARG A 42 16.494 -3.614 2.104 1.00 0.00 C ATOM 716 C ARG A 42 17.454 -4.618 1.459 1.00 0.00 C ATOM 717 O ARG A 42 17.348 -4.929 0.290 1.00 0.00 O ATOM 718 CB ARG A 42 16.105 -4.073 3.510 1.00 0.00 C ATOM 719 CG ARG A 42 15.059 -3.118 4.089 1.00 0.00 C ATOM 720 CD ARG A 42 14.947 -3.340 5.599 1.00 0.00 C ATOM 721 NE ARG A 42 16.181 -2.730 6.174 1.00 0.00 N ATOM 722 CZ ARG A 42 16.326 -2.605 7.472 1.00 0.00 C ATOM 723 NH1 ARG A 42 15.390 -3.006 8.297 1.00 0.00 N ATOM 724 NH2 ARG A 42 17.417 -2.071 7.951 1.00 0.00 N ATOM 0 H ARG A 42 14.502 -4.219 1.653 1.00 0.00 H new ATOM 0 HA ARG A 42 17.002 -2.650 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.707 -5.087 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.985 -4.098 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.340 -2.085 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.093 -3.287 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.050 -2.869 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.884 -4.402 5.838 1.00 0.00 H new ATOM 0 HE ARG A 42 16.921 -2.406 5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.533 -3.422 7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.518 -2.902 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.150 -1.754 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.536 -1.971 8.959 1.00 0.00 H new ATOM 738 N LYS A 43 18.390 -5.129 2.213 1.00 0.00 N ATOM 739 CA LYS A 43 19.351 -6.113 1.638 1.00 0.00 C ATOM 740 C LYS A 43 19.662 -7.210 2.659 1.00 0.00 C ATOM 741 O LYS A 43 20.799 -7.602 2.835 1.00 0.00 O ATOM 742 CB LYS A 43 20.608 -5.305 1.320 1.00 0.00 C ATOM 743 CG LYS A 43 20.697 -5.075 -0.189 1.00 0.00 C ATOM 744 CD LYS A 43 22.160 -5.123 -0.630 1.00 0.00 C ATOM 745 CE LYS A 43 22.247 -4.897 -2.141 1.00 0.00 C ATOM 746 NZ LYS A 43 23.526 -5.539 -2.551 1.00 0.00 N ATOM 0 H LYS A 43 18.530 -4.908 3.199 1.00 0.00 H new ATOM 0 HA LYS A 43 18.951 -6.608 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.581 -4.349 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.493 -5.836 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.122 -5.836 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.261 -4.110 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.734 -4.360 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.597 -6.087 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.397 -5.344 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.243 -3.834 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 23.658 -5.426 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.317 -5.088 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 23.498 -6.551 -2.315 1.00 0.00 H new ATOM 760 N THR A 44 18.662 -7.710 3.332 1.00 0.00 N ATOM 761 CA THR A 44 18.904 -8.783 4.341 1.00 0.00 C ATOM 762 C THR A 44 18.094 -10.031 3.983 1.00 0.00 C ATOM 763 O THR A 44 18.606 -11.134 3.968 1.00 0.00 O ATOM 764 CB THR A 44 18.425 -8.199 5.672 1.00 0.00 C ATOM 765 OG1 THR A 44 17.018 -8.009 5.623 1.00 0.00 O ATOM 766 CG2 THR A 44 19.116 -6.856 5.923 1.00 0.00 C ATOM 0 H THR A 44 17.689 -7.423 3.228 1.00 0.00 H new ATOM 0 HA THR A 44 19.952 -9.080 4.383 1.00 0.00 H new ATOM 0 HB THR A 44 18.672 -8.887 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.708 -7.637 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.773 -6.442 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.195 -7.004 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.872 -6.165 5.116 1.00 0.00 H new ATOM 774 N THR A 45 16.834 -9.864 3.692 1.00 0.00 N ATOM 775 CA THR A 45 15.984 -11.036 3.331 1.00 0.00 C ATOM 776 C THR A 45 14.988 -10.644 2.231 1.00 0.00 C ATOM 777 O THR A 45 14.808 -9.474 1.955 1.00 0.00 O ATOM 778 CB THR A 45 15.246 -11.404 4.620 1.00 0.00 C ATOM 779 OG1 THR A 45 14.975 -10.224 5.364 1.00 0.00 O ATOM 780 CG2 THR A 45 16.114 -12.347 5.456 1.00 0.00 C ATOM 0 H THR A 45 16.354 -8.964 3.688 1.00 0.00 H new ATOM 0 HA THR A 45 16.570 -11.871 2.947 1.00 0.00 H new ATOM 0 HB THR A 45 14.308 -11.901 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.501 -10.459 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.587 -12.608 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.321 -13.253 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.053 -11.853 5.705 1.00 0.00 H new ATOM 788 N PRO A 46 14.373 -11.634 1.633 1.00 0.00 N ATOM 789 CA PRO A 46 13.391 -11.369 0.553 1.00 0.00 C ATOM 790 C PRO A 46 12.096 -10.787 1.133 1.00 0.00 C ATOM 791 O PRO A 46 11.283 -10.232 0.421 1.00 0.00 O ATOM 792 CB PRO A 46 13.145 -12.745 -0.060 1.00 0.00 C ATOM 793 CG PRO A 46 13.476 -13.718 1.025 1.00 0.00 C ATOM 794 CD PRO A 46 14.525 -13.073 1.898 1.00 0.00 C ATOM 0 HA PRO A 46 13.747 -10.643 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.110 -12.853 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.772 -12.904 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.587 -13.962 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.847 -14.652 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.365 -13.304 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.526 -13.422 1.644 1.00 0.00 H new ATOM 802 N ASP A 47 11.898 -10.908 2.419 1.00 0.00 N ATOM 803 CA ASP A 47 10.656 -10.358 3.036 1.00 0.00 C ATOM 804 C ASP A 47 10.798 -8.851 3.263 1.00 0.00 C ATOM 805 O ASP A 47 11.343 -8.412 4.257 1.00 0.00 O ATOM 806 CB ASP A 47 10.516 -11.093 4.371 1.00 0.00 C ATOM 807 CG ASP A 47 10.052 -12.528 4.118 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.248 -12.721 3.221 1.00 0.00 O ATOM 809 OD2 ASP A 47 10.508 -13.410 4.828 1.00 0.00 O ATOM 0 H ASP A 47 12.541 -11.363 3.067 1.00 0.00 H new ATOM 0 HA ASP A 47 9.782 -10.500 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.470 -11.096 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.800 -10.575 5.010 1.00 0.00 H new ATOM 814 N TRP A 48 10.310 -8.055 2.352 1.00 0.00 N ATOM 815 CA TRP A 48 10.413 -6.572 2.519 1.00 0.00 C ATOM 816 C TRP A 48 9.076 -5.899 2.189 1.00 0.00 C ATOM 817 O TRP A 48 8.993 -4.692 2.081 1.00 0.00 O ATOM 818 CB TRP A 48 11.502 -6.103 1.539 1.00 0.00 C ATOM 819 CG TRP A 48 11.338 -6.767 0.205 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.165 -7.712 -0.290 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.314 -6.552 -0.809 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.707 -8.100 -1.534 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.573 -7.414 -1.899 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.197 -5.708 -0.890 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.757 -7.439 -3.027 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.374 -5.729 -2.025 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.651 -6.592 -3.091 1.00 0.00 C ATOM 0 H TRP A 48 9.844 -8.364 1.499 1.00 0.00 H new ATOM 0 HA TRP A 48 10.662 -6.308 3.547 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.450 -5.021 1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.487 -6.332 1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.042 -8.101 0.206 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.156 -8.810 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.969 -5.038 -0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 9.979 -8.108 -3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.518 -5.073 -2.077 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.010 -6.602 -3.960 1.00 0.00 H new ATOM 838 N LEU A 49 8.028 -6.663 2.029 1.00 0.00 N ATOM 839 CA LEU A 49 6.710 -6.047 1.707 1.00 0.00 C ATOM 840 C LEU A 49 5.694 -6.345 2.811 1.00 0.00 C ATOM 841 O LEU A 49 5.541 -7.470 3.246 1.00 0.00 O ATOM 842 CB LEU A 49 6.277 -6.688 0.389 1.00 0.00 C ATOM 843 CG LEU A 49 5.263 -5.783 -0.319 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.000 -5.677 0.531 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.857 -4.386 -0.525 1.00 0.00 C ATOM 0 H LEU A 49 8.028 -7.680 2.107 1.00 0.00 H new ATOM 0 HA LEU A 49 6.777 -4.962 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.145 -6.848 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.836 -7.667 0.578 1.00 0.00 H new ATOM 0 HG LEU A 49 5.019 -6.212 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.277 -5.034 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.569 -6.669 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.250 -5.253 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.128 -3.751 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.109 -3.952 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.757 -4.460 -1.135 1.00 0.00 H new ATOM 857 N LYS A 50 4.997 -5.341 3.261 1.00 0.00 N ATOM 858 CA LYS A 50 3.984 -5.544 4.333 1.00 0.00 C ATOM 859 C LYS A 50 2.713 -4.763 3.991 1.00 0.00 C ATOM 860 O LYS A 50 2.452 -3.716 4.550 1.00 0.00 O ATOM 861 CB LYS A 50 4.637 -4.983 5.598 1.00 0.00 C ATOM 862 CG LYS A 50 3.801 -5.360 6.823 1.00 0.00 C ATOM 863 CD LYS A 50 4.452 -4.783 8.083 1.00 0.00 C ATOM 864 CE LYS A 50 4.056 -5.624 9.299 1.00 0.00 C ATOM 865 NZ LYS A 50 4.068 -4.671 10.445 1.00 0.00 N ATOM 0 H LYS A 50 5.086 -4.380 2.930 1.00 0.00 H new ATOM 0 HA LYS A 50 3.699 -6.589 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.648 -5.376 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.722 -3.899 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.787 -4.976 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.724 -6.444 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.536 -4.774 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.138 -3.749 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.070 -6.070 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.758 -6.443 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.806 -5.173 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.021 -4.267 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.386 -3.906 10.268 1.00 0.00 H new ATOM 879 N VAL A 51 1.924 -5.251 3.070 1.00 0.00 N ATOM 880 CA VAL A 51 0.685 -4.510 2.704 1.00 0.00 C ATOM 881 C VAL A 51 -0.528 -5.076 3.440 1.00 0.00 C ATOM 882 O VAL A 51 -0.764 -6.269 3.452 1.00 0.00 O ATOM 883 CB VAL A 51 0.529 -4.668 1.166 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.933 -4.938 0.765 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.953 -3.375 0.484 1.00 0.00 C ATOM 0 H VAL A 51 2.082 -6.121 2.561 1.00 0.00 H new ATOM 0 HA VAL A 51 0.753 -3.460 2.988 1.00 0.00 H new ATOM 0 HB VAL A 51 1.149 -5.511 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.000 -5.042 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.277 -5.857 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.559 -4.106 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.845 -3.481 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.324 -2.556 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.994 -3.161 0.726 1.00 0.00 H new ATOM 895 N ASP A 52 -1.337 -4.218 3.981 1.00 0.00 N ATOM 896 CA ASP A 52 -2.574 -4.694 4.627 1.00 0.00 C ATOM 897 C ASP A 52 -3.572 -4.932 3.499 1.00 0.00 C ATOM 898 O ASP A 52 -4.516 -4.184 3.333 1.00 0.00 O ATOM 899 CB ASP A 52 -3.027 -3.547 5.530 1.00 0.00 C ATOM 900 CG ASP A 52 -3.611 -4.113 6.826 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.254 -5.226 7.177 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.406 -3.424 7.446 1.00 0.00 O ATOM 0 H ASP A 52 -1.192 -3.209 4.002 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.463 -5.607 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.184 -2.893 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.774 -2.940 5.017 1.00 0.00 H new ATOM 907 N VAL A 53 -3.318 -5.943 2.687 1.00 0.00 N ATOM 908 CA VAL A 53 -4.197 -6.242 1.501 1.00 0.00 C ATOM 909 C VAL A 53 -5.669 -5.924 1.797 1.00 0.00 C ATOM 910 O VAL A 53 -6.394 -5.510 0.920 1.00 0.00 O ATOM 911 CB VAL A 53 -3.964 -7.740 1.131 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.628 -8.584 2.364 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.206 -8.334 0.449 1.00 0.00 C ATOM 0 H VAL A 53 -2.529 -6.580 2.799 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.939 -5.609 0.652 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.117 -7.765 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.473 -9.620 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.720 -8.201 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.451 -8.532 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.020 -9.379 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.059 -8.268 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.422 -7.777 -0.463 1.00 0.00 H new ATOM 923 N GLU A 54 -6.109 -6.073 3.014 1.00 0.00 N ATOM 924 CA GLU A 54 -7.521 -5.729 3.314 1.00 0.00 C ATOM 925 C GLU A 54 -7.740 -4.247 3.016 1.00 0.00 C ATOM 926 O GLU A 54 -8.588 -3.878 2.229 1.00 0.00 O ATOM 927 CB GLU A 54 -7.712 -6.022 4.802 1.00 0.00 C ATOM 928 CG GLU A 54 -9.197 -6.249 5.088 1.00 0.00 C ATOM 929 CD GLU A 54 -9.486 -7.750 5.131 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.042 -8.392 6.069 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.144 -8.232 4.225 1.00 0.00 O ATOM 0 H GLU A 54 -5.559 -6.413 3.803 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.232 -6.298 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.137 -6.903 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.338 -5.190 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.470 -5.788 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.803 -5.773 4.317 1.00 0.00 H new ATOM 938 N ARG A 55 -6.960 -3.400 3.622 1.00 0.00 N ATOM 939 CA ARG A 55 -7.096 -1.947 3.354 1.00 0.00 C ATOM 940 C ARG A 55 -6.628 -1.663 1.931 1.00 0.00 C ATOM 941 O ARG A 55 -7.237 -0.917 1.203 1.00 0.00 O ATOM 942 CB ARG A 55 -6.176 -1.260 4.364 1.00 0.00 C ATOM 943 CG ARG A 55 -6.894 -1.133 5.707 1.00 0.00 C ATOM 944 CD ARG A 55 -7.446 0.284 5.854 1.00 0.00 C ATOM 945 NE ARG A 55 -8.661 0.308 4.990 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.791 -0.219 5.404 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.882 -0.787 6.582 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.841 -0.182 4.629 1.00 0.00 N ATOM 0 H ARG A 55 -6.234 -3.653 4.292 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.123 -1.594 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.257 -1.834 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.890 -0.274 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.704 -1.859 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.205 -1.354 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.694 0.507 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.717 1.028 5.533 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.614 0.739 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.067 -0.825 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.768 -1.191 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.781 0.254 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.722 -0.589 4.944 1.00 0.00 H new ATOM 962 N ALA A 56 -5.562 -2.281 1.515 1.00 0.00 N ATOM 963 CA ALA A 56 -5.085 -2.065 0.133 1.00 0.00 C ATOM 964 C ALA A 56 -6.151 -2.605 -0.828 1.00 0.00 C ATOM 965 O ALA A 56 -6.186 -2.259 -1.995 1.00 0.00 O ATOM 966 CB ALA A 56 -3.751 -2.824 0.057 1.00 0.00 C ATOM 0 H ALA A 56 -5.003 -2.925 2.075 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.927 -1.021 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.327 -2.715 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.058 -2.416 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.921 -3.880 0.266 1.00 0.00 H new ATOM 972 N ARG A 57 -7.058 -3.421 -0.330 1.00 0.00 N ATOM 973 CA ARG A 57 -8.143 -3.940 -1.194 1.00 0.00 C ATOM 974 C ARG A 57 -9.328 -2.962 -1.159 1.00 0.00 C ATOM 975 O ARG A 57 -10.104 -2.876 -2.090 1.00 0.00 O ATOM 976 CB ARG A 57 -8.541 -5.293 -0.592 1.00 0.00 C ATOM 977 CG ARG A 57 -9.811 -5.814 -1.275 1.00 0.00 C ATOM 978 CD ARG A 57 -9.585 -7.250 -1.753 1.00 0.00 C ATOM 979 NE ARG A 57 -10.785 -7.573 -2.579 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.935 -7.059 -3.779 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.037 -6.248 -4.282 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.993 -7.360 -4.481 1.00 0.00 N ATOM 0 H ARG A 57 -7.083 -3.742 0.638 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.833 -4.049 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.730 -6.010 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.711 -5.188 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.650 -5.779 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.070 -5.175 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.669 -7.332 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.488 -7.936 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.498 -8.201 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.207 -6.007 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.168 -5.857 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.697 -7.991 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.116 -6.965 -5.413 1.00 0.00 H new ATOM 996 N TYR A 58 -9.450 -2.210 -0.094 1.00 0.00 N ATOM 997 CA TYR A 58 -10.551 -1.214 0.016 1.00 0.00 C ATOM 998 C TYR A 58 -10.400 -0.244 -1.134 1.00 0.00 C ATOM 999 O TYR A 58 -11.332 0.117 -1.829 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.272 -0.502 1.351 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.900 0.883 1.390 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.187 1.085 0.884 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.184 1.963 1.934 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.765 2.359 0.920 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.764 3.238 1.970 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.054 3.436 1.463 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.625 4.692 1.500 1.00 0.00 O ATOM 0 H TYR A 58 -8.825 -2.247 0.711 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.553 -1.641 -0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.663 -1.102 2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.196 -0.418 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.737 0.256 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.188 1.810 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.760 2.511 0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.216 4.069 2.389 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.998 5.324 1.909 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.201 0.180 -1.297 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.872 1.149 -2.353 1.00 0.00 C ATOM 1019 C TRP A 59 -9.051 0.519 -3.716 1.00 0.00 C ATOM 1020 O TRP A 59 -9.830 0.981 -4.524 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.440 1.529 -2.038 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.539 2.354 -0.812 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.165 1.997 0.434 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.140 3.654 -0.705 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.475 3.034 1.302 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.082 4.082 0.636 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.709 4.493 -1.658 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.589 5.323 1.021 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.222 5.739 -1.284 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.161 6.156 0.054 1.00 0.00 C ATOM 0 H TRP A 59 -8.408 -0.112 -0.726 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.515 2.028 -2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.822 0.647 -1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.988 2.088 -2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.702 1.061 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.280 3.024 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.755 4.181 -2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.540 5.637 2.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.667 6.383 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.556 7.120 0.337 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.388 -0.564 -3.965 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.587 -1.255 -5.269 1.00 0.00 C ATOM 1043 C LEU A 60 -10.093 -1.487 -5.470 1.00 0.00 C ATOM 1044 O LEU A 60 -10.574 -1.620 -6.577 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.844 -2.584 -5.137 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.408 -2.411 -5.629 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.483 -3.336 -4.836 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.335 -2.766 -7.117 1.00 0.00 C ATOM 0 H LEU A 60 -7.720 -1.003 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.218 -0.684 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.847 -2.914 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.349 -3.355 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.095 -1.377 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.458 -3.213 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.537 -3.084 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.794 -4.371 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.311 -2.643 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.647 -3.801 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.995 -2.107 -7.681 1.00 0.00 H new ATOM 1060 N SER A 61 -10.838 -1.513 -4.386 1.00 0.00 N ATOM 1061 CA SER A 61 -12.306 -1.708 -4.487 1.00 0.00 C ATOM 1062 C SER A 61 -12.994 -0.386 -4.850 1.00 0.00 C ATOM 1063 O SER A 61 -14.102 -0.378 -5.349 1.00 0.00 O ATOM 1064 CB SER A 61 -12.745 -2.177 -3.100 1.00 0.00 C ATOM 1065 OG SER A 61 -12.855 -3.594 -3.098 1.00 0.00 O ATOM 0 H SER A 61 -10.482 -1.406 -3.436 1.00 0.00 H new ATOM 0 HA SER A 61 -12.571 -2.428 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.023 -1.855 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.702 -1.726 -2.836 1.00 0.00 H new ATOM 0 HG SER A 61 -12.017 -3.987 -2.774 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.354 0.735 -4.611 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.994 2.030 -4.955 1.00 0.00 C ATOM 1073 C VAL A 62 -12.455 2.524 -6.298 1.00 0.00 C ATOM 1074 O VAL A 62 -12.327 3.708 -6.539 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.635 3.015 -3.818 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.830 2.357 -2.449 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.179 3.488 -3.940 1.00 0.00 C ATOM 0 H VAL A 62 -11.425 0.802 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.076 1.936 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.301 3.873 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.572 3.067 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.871 2.054 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.186 1.481 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.952 4.180 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.511 2.629 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.039 3.992 -4.896 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.136 1.613 -7.167 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.598 2.005 -8.499 1.00 0.00 C ATOM 1089 C GLY A 63 -10.218 2.643 -8.323 1.00 0.00 C ATOM 1090 O GLY A 63 -9.811 3.484 -9.101 1.00 0.00 O ATOM 0 H GLY A 63 -12.224 0.608 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.527 1.131 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.276 2.707 -8.985 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.495 2.252 -7.308 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.146 2.839 -7.087 1.00 0.00 C ATOM 1096 C ALA A 64 -7.139 2.211 -8.054 1.00 0.00 C ATOM 1097 O ALA A 64 -7.042 1.006 -8.168 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.791 2.491 -5.641 1.00 0.00 C ATOM 0 H ALA A 64 -9.782 1.552 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.128 3.915 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.806 2.891 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.532 2.925 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.782 1.408 -5.519 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.392 3.018 -8.756 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.397 2.461 -9.718 1.00 0.00 C ATOM 1106 C GLN A 65 -4.000 2.422 -9.082 1.00 0.00 C ATOM 1107 O GLN A 65 -3.383 3.451 -8.890 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.417 3.422 -10.905 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.528 3.011 -11.874 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.429 4.214 -12.163 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.071 5.339 -11.877 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.590 4.023 -12.725 1.00 0.00 N ATOM 0 H GLN A 65 -6.427 4.036 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.637 1.439 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.581 4.442 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.453 3.409 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.095 2.637 -12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.115 2.199 -11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.891 3.079 -12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.197 4.818 -12.924 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.541 1.231 -8.774 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.202 1.077 -8.159 1.00 0.00 C ATOM 1123 C PRO A 66 -1.108 1.230 -9.219 1.00 0.00 C ATOM 1124 O PRO A 66 -1.198 0.681 -10.300 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.220 -0.345 -7.613 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.223 -1.077 -8.448 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.213 -0.064 -8.960 1.00 0.00 C ATOM 0 HA PRO A 66 -1.996 1.824 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.235 -0.807 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.501 -0.358 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.732 -1.586 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.728 -1.842 -7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.455 -0.239 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.150 -0.109 -8.405 1.00 0.00 H new ATOM 1135 N THR A 67 -0.075 1.967 -8.920 1.00 0.00 N ATOM 1136 CA THR A 67 1.023 2.149 -9.911 1.00 0.00 C ATOM 1137 C THR A 67 1.548 0.783 -10.364 1.00 0.00 C ATOM 1138 O THR A 67 1.337 -0.215 -9.710 1.00 0.00 O ATOM 1139 CB THR A 67 2.108 2.918 -9.157 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.182 2.440 -7.822 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.764 4.408 -9.148 1.00 0.00 C ATOM 0 H THR A 67 0.057 2.451 -8.032 1.00 0.00 H new ATOM 0 HA THR A 67 0.696 2.679 -10.806 1.00 0.00 H new ATOM 0 HB THR A 67 3.069 2.771 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.099 2.535 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.537 4.957 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.705 4.774 -10.173 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.804 4.557 -8.654 1.00 0.00 H new ATOM 1149 N ASP A 68 2.227 0.728 -11.478 1.00 0.00 N ATOM 1150 CA ASP A 68 2.755 -0.584 -11.956 1.00 0.00 C ATOM 1151 C ASP A 68 3.686 -1.192 -10.903 1.00 0.00 C ATOM 1152 O ASP A 68 3.904 -2.387 -10.866 1.00 0.00 O ATOM 1153 CB ASP A 68 3.527 -0.263 -13.238 1.00 0.00 C ATOM 1154 CG ASP A 68 3.230 -1.329 -14.294 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.830 -2.416 -13.914 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.408 -1.040 -15.467 1.00 0.00 O ATOM 0 H ASP A 68 2.438 1.528 -12.075 1.00 0.00 H new ATOM 0 HA ASP A 68 1.960 -1.308 -12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.242 0.721 -13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.597 -0.229 -13.032 1.00 0.00 H new ATOM 1161 N THR A 69 4.231 -0.376 -10.046 1.00 0.00 N ATOM 1162 CA THR A 69 5.144 -0.896 -8.989 1.00 0.00 C ATOM 1163 C THR A 69 4.344 -1.275 -7.743 1.00 0.00 C ATOM 1164 O THR A 69 4.443 -2.375 -7.240 1.00 0.00 O ATOM 1165 CB THR A 69 6.063 0.267 -8.671 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.448 0.915 -9.876 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.304 -0.230 -7.925 1.00 0.00 C ATOM 0 H THR A 69 4.083 0.633 -10.031 1.00 0.00 H new ATOM 0 HA THR A 69 5.686 -1.785 -9.312 1.00 0.00 H new ATOM 0 HB THR A 69 5.533 0.976 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.041 1.667 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.957 0.614 -7.702 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.001 -0.710 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.839 -0.948 -8.547 1.00 0.00 H new ATOM 1175 N ALA A 70 3.540 -0.371 -7.253 1.00 0.00 N ATOM 1176 CA ALA A 70 2.725 -0.673 -6.051 1.00 0.00 C ATOM 1177 C ALA A 70 1.701 -1.735 -6.414 1.00 0.00 C ATOM 1178 O ALA A 70 1.234 -2.479 -5.574 1.00 0.00 O ATOM 1179 CB ALA A 70 2.040 0.644 -5.684 1.00 0.00 C ATOM 0 H ALA A 70 3.415 0.565 -7.637 1.00 0.00 H new ATOM 0 HA ALA A 70 3.316 -1.050 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.418 0.497 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.796 1.401 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.417 0.974 -6.515 1.00 0.00 H new ATOM 1185 N ARG A 71 1.372 -1.834 -7.671 1.00 0.00 N ATOM 1186 CA ARG A 71 0.414 -2.867 -8.089 1.00 0.00 C ATOM 1187 C ARG A 71 1.112 -4.207 -7.948 1.00 0.00 C ATOM 1188 O ARG A 71 0.536 -5.186 -7.517 1.00 0.00 O ATOM 1189 CB ARG A 71 0.089 -2.560 -9.553 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.758 -3.687 -10.150 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.294 -3.966 -11.581 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.548 -4.188 -12.357 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.566 -4.049 -13.663 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.479 -3.735 -14.324 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.682 -4.234 -14.315 1.00 0.00 N ATOM 0 H ARG A 71 1.730 -1.240 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.502 -2.888 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.448 -1.614 -9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.011 -2.447 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.665 -4.588 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.811 -3.407 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.275 -3.127 -11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.355 -4.840 -11.622 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.403 -4.451 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.399 -3.595 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.511 -3.631 -15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.532 -4.485 -13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.704 -4.128 -15.329 1.00 0.00 H new ATOM 1209 N ARG A 72 2.374 -4.242 -8.282 1.00 0.00 N ATOM 1210 CA ARG A 72 3.130 -5.506 -8.147 1.00 0.00 C ATOM 1211 C ARG A 72 3.212 -5.876 -6.671 1.00 0.00 C ATOM 1212 O ARG A 72 3.186 -7.034 -6.302 1.00 0.00 O ATOM 1213 CB ARG A 72 4.517 -5.208 -8.709 1.00 0.00 C ATOM 1214 CG ARG A 72 4.681 -5.917 -10.051 1.00 0.00 C ATOM 1215 CD ARG A 72 5.327 -4.961 -11.057 1.00 0.00 C ATOM 1216 NE ARG A 72 6.049 -5.842 -12.022 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.699 -5.330 -13.040 1.00 0.00 C ATOM 1218 NH1 ARG A 72 6.748 -4.034 -13.226 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.309 -6.122 -13.878 1.00 0.00 N ATOM 0 H ARG A 72 2.907 -3.450 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 72 2.664 -6.339 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.648 -4.133 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.284 -5.543 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.298 -6.807 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.711 -6.249 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.576 -4.354 -11.563 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.012 -4.273 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 72 6.037 -6.853 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.276 -3.407 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.258 -3.652 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.279 -7.132 -13.739 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.816 -5.731 -14.672 1.00 0.00 H new ATOM 1233 N LEU A 73 3.299 -4.890 -5.825 1.00 0.00 N ATOM 1234 CA LEU A 73 3.370 -5.157 -4.374 1.00 0.00 C ATOM 1235 C LEU A 73 1.993 -5.579 -3.883 1.00 0.00 C ATOM 1236 O LEU A 73 1.862 -6.408 -3.006 1.00 0.00 O ATOM 1237 CB LEU A 73 3.822 -3.844 -3.738 1.00 0.00 C ATOM 1238 CG LEU A 73 5.137 -3.413 -4.383 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.483 -1.986 -3.954 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.252 -4.362 -3.952 1.00 0.00 C ATOM 0 H LEU A 73 3.324 -3.904 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 73 4.061 -5.960 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.062 -3.075 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.952 -3.970 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 73 5.032 -3.445 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.422 -1.684 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.689 -1.309 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.585 -1.947 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.190 -4.054 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.354 -4.334 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.009 -5.376 -4.268 1.00 0.00 H new ATOM 1252 N LEU A 74 0.958 -5.053 -4.481 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.402 -5.478 -4.081 1.00 0.00 C ATOM 1254 C LEU A 74 -0.566 -6.927 -4.523 1.00 0.00 C ATOM 1255 O LEU A 74 -1.264 -7.711 -3.914 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.360 -4.558 -4.837 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.359 -3.178 -4.182 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.058 -2.181 -5.103 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.103 -3.245 -2.847 1.00 0.00 C ATOM 0 H LEU A 74 1.000 -4.354 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.589 -5.415 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.057 -4.478 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.367 -4.976 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.332 -2.858 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.059 -1.195 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.530 -2.133 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.085 -2.502 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.102 -2.260 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.131 -3.564 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.607 -3.959 -2.189 1.00 0.00 H new ATOM 1271 N ARG A 75 0.126 -7.288 -5.573 1.00 0.00 N ATOM 1272 CA ARG A 75 0.081 -8.681 -6.066 1.00 0.00 C ATOM 1273 C ARG A 75 0.962 -9.528 -5.159 1.00 0.00 C ATOM 1274 O ARG A 75 0.729 -10.702 -4.949 1.00 0.00 O ATOM 1275 CB ARG A 75 0.672 -8.611 -7.474 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.192 -9.421 -8.437 1.00 0.00 C ATOM 1277 CD ARG A 75 0.685 -10.423 -9.192 1.00 0.00 C ATOM 1278 NE ARG A 75 0.451 -10.123 -10.633 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.981 -9.061 -11.194 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.747 -8.248 -10.510 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.742 -8.813 -12.453 1.00 0.00 N ATOM 0 H ARG A 75 0.726 -6.662 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.919 -9.114 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.727 -7.574 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.691 -8.999 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.973 -9.947 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.691 -8.756 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.736 -10.305 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.409 -11.450 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.128 -10.751 -11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.940 -8.436 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.151 -7.427 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.148 -9.442 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.150 -7.990 -12.897 1.00 0.00 H new ATOM 1295 N GLN A 76 1.983 -8.920 -4.617 1.00 0.00 N ATOM 1296 CA GLN A 76 2.899 -9.644 -3.716 1.00 0.00 C ATOM 1297 C GLN A 76 2.296 -9.734 -2.326 1.00 0.00 C ATOM 1298 O GLN A 76 2.532 -10.666 -1.583 1.00 0.00 O ATOM 1299 CB GLN A 76 4.159 -8.794 -3.721 1.00 0.00 C ATOM 1300 CG GLN A 76 5.366 -9.647 -3.336 1.00 0.00 C ATOM 1301 CD GLN A 76 6.349 -9.697 -4.507 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.547 -9.668 -4.311 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.888 -9.770 -5.726 1.00 0.00 N ATOM 0 H GLN A 76 2.217 -7.939 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 76 3.095 -10.670 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.311 -8.360 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.051 -7.965 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.854 -9.229 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.044 -10.655 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.882 -9.794 -5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.534 -9.803 -6.515 1.00 0.00 H new ATOM 1312 N ALA A 77 1.505 -8.775 -1.985 1.00 0.00 N ATOM 1313 CA ALA A 77 0.851 -8.784 -0.654 1.00 0.00 C ATOM 1314 C ALA A 77 -0.323 -9.773 -0.647 1.00 0.00 C ATOM 1315 O ALA A 77 -0.986 -9.954 0.357 1.00 0.00 O ATOM 1316 CB ALA A 77 0.347 -7.357 -0.454 1.00 0.00 C ATOM 0 H ALA A 77 1.277 -7.974 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 77 1.532 -9.093 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.152 -7.279 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.189 -6.666 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.357 -7.105 -1.247 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.593 -10.409 -1.759 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.727 -11.374 -1.813 1.00 0.00 C ATOM 1324 C GLY A 78 -3.041 -10.594 -1.855 1.00 0.00 C ATOM 1325 O GLY A 78 -3.949 -10.846 -1.088 1.00 0.00 O ATOM 0 H GLY A 78 -0.075 -10.300 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.638 -12.010 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.706 -12.029 -0.942 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.145 -9.637 -2.739 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.389 -8.831 -2.819 1.00 0.00 C ATOM 1331 C VAL A 79 -5.309 -9.335 -3.936 1.00 0.00 C ATOM 1332 O VAL A 79 -6.454 -9.669 -3.705 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.930 -7.413 -3.115 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.145 -6.487 -3.201 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.998 -6.932 -2.000 1.00 0.00 C ATOM 0 H VAL A 79 -2.419 -9.382 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.963 -8.896 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.396 -7.398 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.814 -5.471 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.806 -6.827 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.682 -6.503 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.670 -5.915 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.530 -6.949 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.130 -7.589 -1.943 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.824 -9.375 -5.147 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.684 -9.839 -6.279 1.00 0.00 C ATOM 1347 C PHE A 80 -6.137 -11.283 -6.054 1.00 0.00 C ATOM 1348 O PHE A 80 -7.313 -11.566 -5.951 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.804 -9.755 -7.535 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.094 -8.414 -7.632 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -4.572 -7.289 -6.940 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -2.947 -8.303 -8.427 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -3.901 -6.065 -7.045 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -2.280 -7.078 -8.529 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.755 -5.963 -7.841 1.00 0.00 C ATOM 0 H PHE A 80 -3.874 -9.108 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.582 -9.229 -6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.067 -10.557 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.419 -9.907 -8.422 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.457 -7.368 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.577 -9.165 -8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.268 -5.200 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.395 -6.996 -9.142 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.238 -5.019 -7.922 1.00 0.00 H new ATOM 1365 N ARG A 81 -5.211 -12.198 -5.987 1.00 0.00 N ATOM 1366 CA ARG A 81 -5.589 -13.625 -5.781 1.00 0.00 C ATOM 1367 C ARG A 81 -5.953 -13.879 -4.317 1.00 0.00 C ATOM 1368 O ARG A 81 -5.824 -13.013 -3.473 1.00 0.00 O ATOM 1369 CB ARG A 81 -4.344 -14.422 -6.168 1.00 0.00 C ATOM 1370 CG ARG A 81 -3.168 -13.984 -5.295 1.00 0.00 C ATOM 1371 CD ARG A 81 -2.815 -15.106 -4.316 1.00 0.00 C ATOM 1372 NE ARG A 81 -1.771 -15.906 -5.017 1.00 0.00 N ATOM 1373 CZ ARG A 81 -1.252 -16.973 -4.457 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -1.636 -17.365 -3.267 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -0.341 -17.653 -5.096 1.00 0.00 N ATOM 0 H ARG A 81 -4.210 -12.020 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.459 -13.908 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.528 -15.489 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.109 -14.262 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.306 -13.747 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.425 -13.077 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.441 -14.706 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.688 -15.715 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.456 -15.620 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.349 -16.838 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.222 -18.197 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.038 -17.354 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.068 -18.484 -4.669 1.00 0.00 H new ATOM 1389 N GLN A 82 -6.410 -15.062 -4.011 1.00 0.00 N ATOM 1390 CA GLN A 82 -6.787 -15.380 -2.605 1.00 0.00 C ATOM 1391 C GLN A 82 -6.748 -16.896 -2.384 1.00 0.00 C ATOM 1392 O GLN A 82 -6.968 -17.670 -3.293 1.00 0.00 O ATOM 1393 CB GLN A 82 -8.213 -14.850 -2.448 1.00 0.00 C ATOM 1394 CG GLN A 82 -9.108 -15.463 -3.528 1.00 0.00 C ATOM 1395 CD GLN A 82 -10.313 -16.139 -2.870 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -11.022 -15.526 -2.098 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -10.576 -17.388 -3.147 1.00 0.00 N ATOM 0 H GLN A 82 -6.539 -15.824 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.107 -14.933 -1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.597 -15.098 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.219 -13.763 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.444 -14.690 -4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.544 -16.190 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.980 -17.903 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.377 -17.848 -2.715 1.00 0.00 H new ATOM 1406 N GLU A 83 -6.471 -17.325 -1.182 1.00 0.00 N ATOM 1407 CA GLU A 83 -6.417 -18.790 -0.908 1.00 0.00 C ATOM 1408 C GLU A 83 -7.716 -19.255 -0.246 1.00 0.00 C ATOM 1409 O GLU A 83 -8.199 -18.649 0.690 1.00 0.00 O ATOM 1410 CB GLU A 83 -5.239 -18.973 0.050 1.00 0.00 C ATOM 1411 CG GLU A 83 -4.683 -20.391 -0.085 1.00 0.00 C ATOM 1412 CD GLU A 83 -3.239 -20.424 0.421 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -3.047 -20.260 1.614 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -2.351 -20.613 -0.393 1.00 0.00 O ATOM 0 H GLU A 83 -6.280 -16.725 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.297 -19.373 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.460 -18.244 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.560 -18.794 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.296 -21.089 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.722 -20.711 -1.126 1.00 0.00 H new ATOM 1421 N ALA A 84 -8.283 -20.330 -0.722 1.00 0.00 N ATOM 1422 CA ALA A 84 -9.548 -20.837 -0.118 1.00 0.00 C ATOM 1423 C ALA A 84 -9.239 -21.663 1.133 1.00 0.00 C ATOM 1424 O ALA A 84 -8.128 -21.668 1.627 1.00 0.00 O ATOM 1425 CB ALA A 84 -10.181 -21.711 -1.200 1.00 0.00 C ATOM 0 H ALA A 84 -7.925 -20.879 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.213 -20.031 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.120 -22.123 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.373 -21.109 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.502 -22.525 -1.453 1.00 0.00 H new ATOM 1431 N ARG A 85 -10.211 -22.364 1.651 1.00 0.00 N ATOM 1432 CA ARG A 85 -9.968 -23.188 2.869 1.00 0.00 C ATOM 1433 C ARG A 85 -10.175 -24.672 2.556 1.00 0.00 C ATOM 1434 O ARG A 85 -11.291 -25.142 2.443 1.00 0.00 O ATOM 1435 CB ARG A 85 -10.998 -22.705 3.889 1.00 0.00 C ATOM 1436 CG ARG A 85 -10.782 -21.216 4.162 1.00 0.00 C ATOM 1437 CD ARG A 85 -12.114 -20.473 4.035 1.00 0.00 C ATOM 1438 NE ARG A 85 -12.468 -20.082 5.431 1.00 0.00 N ATOM 1439 CZ ARG A 85 -13.674 -19.657 5.724 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -14.598 -19.557 4.802 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -13.958 -19.326 6.955 1.00 0.00 N ATOM 0 H ARG A 85 -11.162 -22.402 1.284 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.949 -23.083 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.007 -22.874 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.904 -23.273 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.369 -21.075 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.058 -20.808 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.019 -19.598 3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.882 -21.110 3.596 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.764 -20.146 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.386 -19.812 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.530 -19.225 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.244 -19.399 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.893 -18.995 7.191 1.00 0.00 H new ATOM 1455 N GLU A 86 -9.111 -25.413 2.417 1.00 0.00 N ATOM 1456 CA GLU A 86 -9.249 -26.864 2.112 1.00 0.00 C ATOM 1457 C GLU A 86 -10.146 -27.538 3.154 1.00 0.00 C ATOM 1458 O GLU A 86 -10.174 -27.153 4.306 1.00 0.00 O ATOM 1459 CB GLU A 86 -7.826 -27.421 2.188 1.00 0.00 C ATOM 1460 CG GLU A 86 -7.268 -27.209 3.597 1.00 0.00 C ATOM 1461 CD GLU A 86 -5.742 -27.140 3.539 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -5.164 -27.881 2.762 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -5.176 -26.346 4.273 1.00 0.00 O ATOM 0 H GLU A 86 -8.152 -25.076 2.501 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.704 -27.041 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.826 -28.483 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.190 -26.924 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.668 -26.289 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.581 -28.024 4.249 1.00 0.00 H new ATOM 1470 N GLY A 87 -10.882 -28.540 2.758 1.00 0.00 N ATOM 1471 CA GLY A 87 -11.776 -29.235 3.726 1.00 0.00 C ATOM 1472 C GLY A 87 -10.965 -30.208 4.591 1.00 0.00 C ATOM 1473 O GLY A 87 -11.489 -30.820 5.500 1.00 0.00 O ATOM 0 H GLY A 87 -10.903 -28.907 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.276 -28.503 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.555 -29.777 3.189 1.00 0.00 H new ATOM 1477 N ALA A 88 -9.694 -30.362 4.321 1.00 0.00 N ATOM 1478 CA ALA A 88 -8.871 -31.301 5.138 1.00 0.00 C ATOM 1479 C ALA A 88 -7.388 -30.935 5.036 1.00 0.00 C ATOM 1480 O ALA A 88 -7.029 -30.255 4.088 1.00 0.00 O ATOM 1481 CB ALA A 88 -9.125 -32.681 4.532 1.00 0.00 C ATOM 1482 OXT ALA A 88 -6.637 -31.339 5.908 1.00 0.00 O ATOM 0 H ALA A 88 -9.193 -29.881 3.574 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.134 -31.265 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.553 -33.430 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.187 -32.917 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.816 -32.682 3.487 1.00 0.00 H new TER 1488 ALA A 88