USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 45:sc= 1.44 USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.439 USER MOD Set 2.1: A 9 CYS SG : rot 122:sc= 0.214 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.548 K(o=0.76,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00931 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 143:sc= -0.37 (180deg=-2.37!) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.016) USER MOD Single : A 21 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 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= 0.33 (180deg=-0.674) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.14! C(o=-5.1!,f=-12!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 175:sc=-0.00372 (180deg=-0.052) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 171:sc= 0 (180deg=-0.0795) USER MOD Single : A 78 GLN : amide:sc= -5.09! C(o=-5.1!,f=-15!) USER MOD Single : A 82 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.038) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 65:sc= 1.27 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.618 18.559 22.408 1.00 0.00 N ATOM 2 CA GLY A 1 -1.820 18.188 23.562 1.00 0.00 C ATOM 3 C GLY A 1 -0.553 17.451 23.178 1.00 0.00 C ATOM 4 O GLY A 1 0.074 17.766 22.166 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.023 19.505 22.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.017 18.568 21.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.386 17.869 22.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.559 19.085 24.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.415 17.560 24.225 1.00 0.00 H new ATOM 8 N SER A 2 -0.172 16.468 23.988 1.00 0.00 N ATOM 9 CA SER A 2 1.032 15.688 23.730 1.00 0.00 C ATOM 10 C SER A 2 0.775 14.627 22.664 1.00 0.00 C ATOM 11 O SER A 2 -0.012 13.703 22.869 1.00 0.00 O ATOM 12 CB SER A 2 1.521 15.023 25.018 1.00 0.00 C ATOM 13 OG SER A 2 2.173 15.959 25.859 1.00 0.00 O ATOM 0 H SER A 2 -0.680 16.193 24.829 1.00 0.00 H new ATOM 0 HA SER A 2 1.802 16.367 23.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.676 14.581 25.546 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.205 14.210 24.774 1.00 0.00 H new ATOM 0 HG SER A 2 2.475 15.510 26.676 1.00 0.00 H new ATOM 19 N SER A 3 1.444 14.768 21.524 1.00 0.00 N ATOM 20 CA SER A 3 1.286 13.825 20.423 1.00 0.00 C ATOM 21 C SER A 3 2.416 13.979 19.409 1.00 0.00 C ATOM 22 O SER A 3 3.250 14.875 19.525 1.00 0.00 O ATOM 23 CB SER A 3 -0.064 14.034 19.734 1.00 0.00 C ATOM 24 OG SER A 3 -0.214 15.376 19.302 1.00 0.00 O ATOM 0 H SER A 3 2.101 15.526 21.339 1.00 0.00 H new ATOM 0 HA SER A 3 1.324 12.816 20.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.148 13.362 18.880 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.870 13.778 20.421 1.00 0.00 H new ATOM 0 HG SER A 3 -1.084 15.483 18.863 1.00 0.00 H new ATOM 30 N GLY A 4 2.435 13.096 18.415 1.00 0.00 N ATOM 31 CA GLY A 4 3.466 13.149 17.395 1.00 0.00 C ATOM 32 C GLY A 4 3.294 12.075 16.340 1.00 0.00 C ATOM 33 O GLY A 4 4.051 11.104 16.304 1.00 0.00 O ATOM 0 H GLY A 4 1.755 12.345 18.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.450 14.129 16.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.443 13.039 17.865 1.00 0.00 H new ATOM 37 N SER A 5 2.295 12.246 15.480 1.00 0.00 N ATOM 38 CA SER A 5 2.023 11.279 14.423 1.00 0.00 C ATOM 39 C SER A 5 1.260 11.931 13.274 1.00 0.00 C ATOM 40 O SER A 5 0.198 12.520 13.475 1.00 0.00 O ATOM 41 CB SER A 5 1.224 10.098 14.976 1.00 0.00 C ATOM 42 OG SER A 5 1.073 9.082 13.999 1.00 0.00 O ATOM 0 H SER A 5 1.661 13.045 15.494 1.00 0.00 H new ATOM 0 HA SER A 5 2.978 10.916 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.729 9.692 15.852 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.242 10.441 15.304 1.00 0.00 H new ATOM 0 HG SER A 5 0.560 8.338 14.378 1.00 0.00 H new ATOM 48 N SER A 6 1.809 11.822 12.069 1.00 0.00 N ATOM 49 CA SER A 6 1.183 12.403 10.887 1.00 0.00 C ATOM 50 C SER A 6 1.448 11.546 9.654 1.00 0.00 C ATOM 51 O SER A 6 2.555 11.046 9.457 1.00 0.00 O ATOM 52 CB SER A 6 1.703 13.824 10.656 1.00 0.00 C ATOM 53 OG SER A 6 3.109 13.830 10.482 1.00 0.00 O ATOM 0 H SER A 6 2.687 11.336 11.885 1.00 0.00 H new ATOM 0 HA SER A 6 0.107 12.440 11.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.223 14.252 9.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.436 14.455 11.504 1.00 0.00 H new ATOM 0 HG SER A 6 3.416 14.749 10.334 1.00 0.00 H new ATOM 59 N GLY A 7 0.422 11.379 8.825 1.00 0.00 N ATOM 60 CA GLY A 7 0.563 10.581 7.621 1.00 0.00 C ATOM 61 C GLY A 7 0.222 9.122 7.848 1.00 0.00 C ATOM 62 O GLY A 7 -0.946 8.768 8.004 1.00 0.00 O ATOM 0 H GLY A 7 -0.504 11.782 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.085 10.985 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.587 10.659 7.255 1.00 0.00 H new ATOM 66 N ASN A 8 1.244 8.273 7.866 1.00 0.00 N ATOM 67 CA ASN A 8 1.046 6.843 8.074 1.00 0.00 C ATOM 68 C ASN A 8 -0.006 6.294 7.115 1.00 0.00 C ATOM 69 O ASN A 8 -0.884 5.527 7.513 1.00 0.00 O ATOM 70 CB ASN A 8 0.626 6.570 9.520 1.00 0.00 C ATOM 71 CG ASN A 8 1.814 6.363 10.439 1.00 0.00 C ATOM 72 OD1 ASN A 8 2.152 5.233 10.790 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.455 7.458 10.832 1.00 0.00 N ATOM 0 H ASN A 8 2.217 8.550 7.739 1.00 0.00 H new ATOM 0 HA ASN A 8 1.991 6.338 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.029 7.405 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.011 5.686 9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.263 7.382 11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.139 8.375 10.516 1.00 0.00 H new ATOM 80 N CYS A 9 0.088 6.692 5.852 1.00 0.00 N ATOM 81 CA CYS A 9 -0.855 6.241 4.835 1.00 0.00 C ATOM 82 C CYS A 9 -0.228 5.170 3.948 1.00 0.00 C ATOM 83 O CYS A 9 0.751 5.426 3.248 1.00 0.00 O ATOM 84 CB CYS A 9 -1.319 7.421 3.980 1.00 0.00 C ATOM 85 SG CYS A 9 -2.911 7.161 3.164 1.00 0.00 S ATOM 0 H CYS A 9 0.808 7.327 5.507 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.717 5.808 5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.386 8.308 4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.563 7.626 3.222 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.741 8.094 3.525 1.00 0.00 H new ATOM 91 N ARG A 10 -0.798 3.970 3.986 1.00 0.00 N ATOM 92 CA ARG A 10 -0.293 2.859 3.188 1.00 0.00 C ATOM 93 C ARG A 10 -1.441 2.073 2.562 1.00 0.00 C ATOM 94 O ARG A 10 -2.502 1.913 3.169 1.00 0.00 O ATOM 95 CB ARG A 10 0.564 1.932 4.051 1.00 0.00 C ATOM 96 CG ARG A 10 2.026 2.340 4.118 1.00 0.00 C ATOM 97 CD ARG A 10 2.701 1.794 5.367 1.00 0.00 C ATOM 98 NE ARG A 10 2.313 0.412 5.638 1.00 0.00 N ATOM 99 CZ ARG A 10 2.362 -0.142 6.844 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.779 0.564 7.885 1.00 0.00 N ATOM 101 NH2 ARG A 10 1.993 -1.406 7.010 1.00 0.00 N ATOM 0 H ARG A 10 -1.609 3.742 4.561 1.00 0.00 H new ATOM 0 HA ARG A 10 0.322 3.270 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.155 1.910 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.496 0.918 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.547 1.976 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.102 3.427 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.783 1.850 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.441 2.418 6.222 1.00 0.00 H new ATOM 0 HE ARG A 10 1.987 -0.159 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.063 1.536 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.816 0.136 8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.672 -1.953 6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.031 -1.831 7.937 1.00 0.00 H new ATOM 115 N LEU A 11 -1.223 1.584 1.347 1.00 0.00 N ATOM 116 CA LEU A 11 -2.240 0.814 0.638 1.00 0.00 C ATOM 117 C LEU A 11 -2.001 -0.683 0.800 1.00 0.00 C ATOM 118 O LEU A 11 -0.864 -1.152 0.728 1.00 0.00 O ATOM 119 CB LEU A 11 -2.245 1.184 -0.847 1.00 0.00 C ATOM 120 CG LEU A 11 -2.810 2.562 -1.193 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.866 2.752 -2.701 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.190 2.743 -0.579 1.00 0.00 C ATOM 0 H LEU A 11 -0.351 1.707 0.832 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.211 1.057 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.222 1.129 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.820 0.432 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.147 3.320 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.271 3.738 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.862 2.667 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.506 1.987 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.576 3.729 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.863 1.978 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.121 2.652 0.505 1.00 0.00 H new ATOM 134 N PHE A 12 -3.078 -1.430 1.017 1.00 0.00 N ATOM 135 CA PHE A 12 -2.986 -2.875 1.188 1.00 0.00 C ATOM 136 C PHE A 12 -2.988 -3.584 -0.164 1.00 0.00 C ATOM 137 O PHE A 12 -4.035 -3.741 -0.792 1.00 0.00 O ATOM 138 CB PHE A 12 -4.147 -3.384 2.045 1.00 0.00 C ATOM 139 CG PHE A 12 -4.111 -4.866 2.283 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.577 -5.747 1.321 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.611 -5.379 3.469 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.546 -7.112 1.538 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.577 -6.742 3.692 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.044 -7.610 2.725 1.00 0.00 C ATOM 0 H PHE A 12 -4.026 -1.058 1.079 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.046 -3.097 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.132 -2.869 3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.088 -3.125 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.969 -5.363 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.243 -4.705 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.914 -7.788 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.186 -7.128 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.017 -8.676 2.896 1.00 0.00 H new ATOM 154 N ILE A 13 -1.808 -4.008 -0.604 1.00 0.00 N ATOM 155 CA ILE A 13 -1.673 -4.700 -1.879 1.00 0.00 C ATOM 156 C ILE A 13 -1.588 -6.210 -1.680 1.00 0.00 C ATOM 157 O ILE A 13 -0.581 -6.727 -1.198 1.00 0.00 O ATOM 158 CB ILE A 13 -0.427 -4.224 -2.649 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.371 -2.695 -2.676 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.432 -4.785 -4.064 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.526 -2.061 -3.419 1.00 0.00 C ATOM 0 H ILE A 13 -0.932 -3.884 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.563 -4.463 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 13 0.462 -4.592 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.360 -2.322 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.564 -2.382 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.455 -4.440 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.430 -5.874 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.325 -4.443 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.421 -0.976 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.526 -2.405 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.465 -2.344 -2.942 1.00 0.00 H new ATOM 173 N GLY A 14 -2.652 -6.912 -2.055 1.00 0.00 N ATOM 174 CA GLY A 14 -2.676 -8.356 -1.911 1.00 0.00 C ATOM 175 C GLY A 14 -2.762 -9.071 -3.245 1.00 0.00 C ATOM 176 O GLY A 14 -3.370 -8.568 -4.189 1.00 0.00 O ATOM 0 H GLY A 14 -3.498 -6.507 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.778 -8.681 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.527 -8.642 -1.293 1.00 0.00 H new ATOM 180 N GLY A 15 -2.148 -10.248 -3.325 1.00 0.00 N ATOM 181 CA GLY A 15 -2.168 -11.012 -4.559 1.00 0.00 C ATOM 182 C GLY A 15 -0.975 -10.714 -5.445 1.00 0.00 C ATOM 183 O GLY A 15 -1.134 -10.255 -6.577 1.00 0.00 O ATOM 0 H GLY A 15 -1.638 -10.686 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.185 -12.076 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.086 -10.792 -5.104 1.00 0.00 H new ATOM 187 N ILE A 16 0.222 -10.973 -4.930 1.00 0.00 N ATOM 188 CA ILE A 16 1.446 -10.728 -5.683 1.00 0.00 C ATOM 189 C ILE A 16 2.424 -11.888 -5.534 1.00 0.00 C ATOM 190 O ILE A 16 2.460 -12.575 -4.513 1.00 0.00 O ATOM 191 CB ILE A 16 2.135 -9.428 -5.230 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.438 -9.481 -3.731 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.264 -8.225 -5.557 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.509 -8.507 -3.296 1.00 0.00 C ATOM 0 H ILE A 16 0.370 -11.352 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 16 1.159 -10.631 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 16 3.077 -9.327 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.523 -9.274 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.749 -10.492 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.765 -7.314 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.094 -8.180 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.308 -8.318 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.671 -8.600 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.437 -8.727 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.192 -7.490 -3.528 1.00 0.00 H new ATOM 206 N PRO A 17 3.239 -12.113 -6.575 1.00 0.00 N ATOM 207 CA PRO A 17 4.236 -13.188 -6.583 1.00 0.00 C ATOM 208 C PRO A 17 5.384 -12.921 -5.616 1.00 0.00 C ATOM 209 O PRO A 17 6.021 -11.869 -5.667 1.00 0.00 O ATOM 210 CB PRO A 17 4.743 -13.191 -8.028 1.00 0.00 C ATOM 211 CG PRO A 17 4.500 -11.805 -8.517 1.00 0.00 C ATOM 212 CD PRO A 17 3.251 -11.334 -7.825 1.00 0.00 C ATOM 0 HA PRO A 17 3.812 -14.140 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.801 -13.448 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.209 -13.924 -8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.344 -11.156 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.376 -11.790 -9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.280 -10.262 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.362 -11.525 -8.426 1.00 0.00 H new ATOM 220 N LYS A 18 5.644 -13.881 -4.735 1.00 0.00 N ATOM 221 CA LYS A 18 6.717 -13.752 -3.757 1.00 0.00 C ATOM 222 C LYS A 18 8.071 -13.619 -4.448 1.00 0.00 C ATOM 223 O LYS A 18 8.885 -12.773 -4.081 1.00 0.00 O ATOM 224 CB LYS A 18 6.728 -14.960 -2.818 1.00 0.00 C ATOM 225 CG LYS A 18 5.385 -15.234 -2.164 1.00 0.00 C ATOM 226 CD LYS A 18 5.197 -16.714 -1.874 1.00 0.00 C ATOM 227 CE LYS A 18 3.727 -17.066 -1.702 1.00 0.00 C ATOM 228 NZ LYS A 18 3.521 -18.534 -1.564 1.00 0.00 N ATOM 0 H LYS A 18 5.126 -14.758 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 18 6.536 -12.849 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.037 -15.842 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.475 -14.799 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.309 -14.668 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.584 -14.886 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.620 -17.302 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.744 -16.981 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.333 -16.560 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.163 -16.699 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.507 -18.733 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.874 -19.016 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.038 -18.880 -0.731 1.00 0.00 H new ATOM 242 N MET A 19 8.303 -14.461 -5.450 1.00 0.00 N ATOM 243 CA MET A 19 9.557 -14.435 -6.193 1.00 0.00 C ATOM 244 C MET A 19 10.099 -13.013 -6.297 1.00 0.00 C ATOM 245 O MET A 19 11.302 -12.785 -6.172 1.00 0.00 O ATOM 246 CB MET A 19 9.358 -15.021 -7.592 1.00 0.00 C ATOM 247 CG MET A 19 8.496 -14.154 -8.496 1.00 0.00 C ATOM 248 SD MET A 19 7.608 -15.114 -9.738 1.00 0.00 S ATOM 249 CE MET A 19 6.577 -16.144 -8.696 1.00 0.00 C ATOM 0 H MET A 19 7.640 -15.169 -5.766 1.00 0.00 H new ATOM 0 HA MET A 19 10.283 -15.042 -5.652 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.332 -15.163 -8.060 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.900 -16.006 -7.503 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.779 -13.602 -7.888 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.126 -13.417 -8.994 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.603 -16.277 -9.166 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.051 -17.116 -8.562 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.449 -15.666 -7.725 1.00 0.00 H new ATOM 259 N LYS A 20 9.203 -12.059 -6.527 1.00 0.00 N ATOM 260 CA LYS A 20 9.590 -10.658 -6.647 1.00 0.00 C ATOM 261 C LYS A 20 10.171 -10.140 -5.335 1.00 0.00 C ATOM 262 O LYS A 20 10.350 -10.898 -4.381 1.00 0.00 O ATOM 263 CB LYS A 20 8.384 -9.808 -7.055 1.00 0.00 C ATOM 264 CG LYS A 20 7.612 -10.374 -8.234 1.00 0.00 C ATOM 265 CD LYS A 20 8.459 -10.397 -9.495 1.00 0.00 C ATOM 266 CE LYS A 20 7.895 -11.361 -10.527 1.00 0.00 C ATOM 267 NZ LYS A 20 8.962 -11.934 -11.394 1.00 0.00 N ATOM 0 H LYS A 20 8.203 -12.231 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 20 10.357 -10.583 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.711 -9.714 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.726 -8.803 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.278 -11.385 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.718 -9.775 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.508 -9.395 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.479 -10.687 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.367 -12.168 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.163 -10.842 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.555 -12.672 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.369 -11.182 -11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.708 -12.348 -10.799 1.00 0.00 H new ATOM 281 N LYS A 21 10.461 -8.844 -5.293 1.00 0.00 N ATOM 282 CA LYS A 21 11.019 -8.223 -4.098 1.00 0.00 C ATOM 283 C LYS A 21 10.462 -6.816 -3.905 1.00 0.00 C ATOM 284 O LYS A 21 9.978 -6.195 -4.851 1.00 0.00 O ATOM 285 CB LYS A 21 12.546 -8.170 -4.191 1.00 0.00 C ATOM 286 CG LYS A 21 13.202 -9.540 -4.213 1.00 0.00 C ATOM 287 CD LYS A 21 13.308 -10.083 -5.628 1.00 0.00 C ATOM 288 CE LYS A 21 14.452 -9.432 -6.391 1.00 0.00 C ATOM 289 NZ LYS A 21 15.750 -10.117 -6.136 1.00 0.00 N ATOM 0 H LYS A 21 10.319 -8.203 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 21 10.734 -8.829 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.828 -7.627 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.934 -7.604 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.196 -9.476 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.625 -10.231 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.459 -11.162 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.371 -9.909 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.234 -9.452 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.531 -8.384 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.504 -9.644 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.971 -10.076 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.683 -11.111 -6.435 1.00 0.00 H new ATOM 303 N ARG A 22 10.534 -6.320 -2.674 1.00 0.00 N ATOM 304 CA ARG A 22 10.037 -4.986 -2.358 1.00 0.00 C ATOM 305 C ARG A 22 10.506 -3.971 -3.397 1.00 0.00 C ATOM 306 O ARG A 22 9.731 -3.129 -3.849 1.00 0.00 O ATOM 307 CB ARG A 22 10.505 -4.561 -0.966 1.00 0.00 C ATOM 308 CG ARG A 22 12.002 -4.313 -0.876 1.00 0.00 C ATOM 309 CD ARG A 22 12.430 -4.001 0.550 1.00 0.00 C ATOM 310 NE ARG A 22 13.798 -4.436 0.818 1.00 0.00 N ATOM 311 CZ ARG A 22 14.525 -3.990 1.837 1.00 0.00 C ATOM 312 NH1 ARG A 22 14.017 -3.101 2.679 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.763 -4.434 2.015 1.00 0.00 N ATOM 0 H ARG A 22 10.931 -6.821 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 22 8.948 -5.018 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.977 -3.653 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.229 -5.333 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.540 -5.191 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.274 -3.484 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.350 -2.928 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.751 -4.491 1.248 1.00 0.00 H new ATOM 0 HE ARG A 22 14.219 -5.120 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.066 -2.758 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.577 -2.760 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.157 -5.118 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.320 -4.091 2.797 1.00 0.00 H new ATOM 327 N GLU A 23 11.780 -4.057 -3.768 1.00 0.00 N ATOM 328 CA GLU A 23 12.351 -3.145 -4.751 1.00 0.00 C ATOM 329 C GLU A 23 11.572 -3.200 -6.062 1.00 0.00 C ATOM 330 O GLU A 23 11.390 -2.183 -6.731 1.00 0.00 O ATOM 331 CB GLU A 23 13.821 -3.488 -5.004 1.00 0.00 C ATOM 332 CG GLU A 23 14.043 -4.922 -5.453 1.00 0.00 C ATOM 333 CD GLU A 23 15.495 -5.213 -5.779 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.368 -4.880 -4.951 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.758 -5.775 -6.863 1.00 0.00 O ATOM 0 H GLU A 23 12.435 -4.748 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 23 12.285 -2.133 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.217 -2.813 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.389 -3.310 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.708 -5.600 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.430 -5.123 -6.332 1.00 0.00 H new ATOM 342 N GLU A 24 11.116 -4.396 -6.423 1.00 0.00 N ATOM 343 CA GLU A 24 10.358 -4.584 -7.654 1.00 0.00 C ATOM 344 C GLU A 24 8.924 -4.087 -7.492 1.00 0.00 C ATOM 345 O GLU A 24 8.432 -3.303 -8.304 1.00 0.00 O ATOM 346 CB GLU A 24 10.356 -6.060 -8.057 1.00 0.00 C ATOM 347 CG GLU A 24 11.745 -6.670 -8.143 1.00 0.00 C ATOM 348 CD GLU A 24 12.625 -5.975 -9.163 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.265 -5.982 -10.359 1.00 0.00 O ATOM 350 OE2 GLU A 24 13.673 -5.424 -8.767 1.00 0.00 O ATOM 0 H GLU A 24 11.258 -5.248 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 24 10.839 -4.001 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.765 -6.624 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.863 -6.163 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.221 -6.620 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.659 -7.725 -8.402 1.00 0.00 H new ATOM 357 N ILE A 25 8.260 -4.551 -6.438 1.00 0.00 N ATOM 358 CA ILE A 25 6.883 -4.154 -6.169 1.00 0.00 C ATOM 359 C ILE A 25 6.726 -2.638 -6.232 1.00 0.00 C ATOM 360 O ILE A 25 5.826 -2.123 -6.897 1.00 0.00 O ATOM 361 CB ILE A 25 6.414 -4.651 -4.789 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.545 -6.172 -4.699 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.977 -4.221 -4.532 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.814 -6.674 -3.297 1.00 0.00 C ATOM 0 H ILE A 25 8.653 -5.201 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 25 6.265 -4.613 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 25 7.049 -4.205 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.628 -6.630 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.353 -6.498 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.659 -4.580 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.912 -3.133 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.328 -4.642 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.895 -7.761 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.746 -6.245 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.995 -6.378 -2.641 1.00 0.00 H new ATOM 376 N LEU A 26 7.608 -1.928 -5.537 1.00 0.00 N ATOM 377 CA LEU A 26 7.569 -0.470 -5.515 1.00 0.00 C ATOM 378 C LEU A 26 7.485 0.094 -6.930 1.00 0.00 C ATOM 379 O LEU A 26 6.545 0.814 -7.266 1.00 0.00 O ATOM 380 CB LEU A 26 8.807 0.082 -4.806 1.00 0.00 C ATOM 381 CG LEU A 26 9.094 1.569 -5.018 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.393 2.405 -3.958 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.593 1.830 -5.001 1.00 0.00 C ATOM 0 H LEU A 26 8.359 -2.338 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 26 6.678 -0.163 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.699 -0.098 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.676 -0.486 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 26 8.706 1.859 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.609 3.460 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.317 2.241 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.750 2.114 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.779 2.893 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.005 1.524 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.071 1.260 -5.798 1.00 0.00 H new ATOM 395 N GLU A 27 8.472 -0.240 -7.754 1.00 0.00 N ATOM 396 CA GLU A 27 8.508 0.233 -9.133 1.00 0.00 C ATOM 397 C GLU A 27 7.209 -0.105 -9.858 1.00 0.00 C ATOM 398 O GLU A 27 6.556 0.772 -10.424 1.00 0.00 O ATOM 399 CB GLU A 27 9.695 -0.384 -9.876 1.00 0.00 C ATOM 400 CG GLU A 27 10.111 0.396 -11.112 1.00 0.00 C ATOM 401 CD GLU A 27 10.711 -0.491 -12.186 1.00 0.00 C ATOM 402 OE1 GLU A 27 9.957 -1.273 -12.801 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.936 -0.401 -12.412 1.00 0.00 O ATOM 0 H GLU A 27 9.257 -0.836 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 27 8.623 1.317 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.544 -0.450 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.440 -1.403 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.243 0.916 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.836 1.159 -10.829 1.00 0.00 H new ATOM 410 N GLU A 28 6.841 -1.382 -9.836 1.00 0.00 N ATOM 411 CA GLU A 28 5.620 -1.836 -10.493 1.00 0.00 C ATOM 412 C GLU A 28 4.414 -1.033 -10.014 1.00 0.00 C ATOM 413 O GLU A 28 3.377 -0.998 -10.676 1.00 0.00 O ATOM 414 CB GLU A 28 5.394 -3.325 -10.225 1.00 0.00 C ATOM 415 CG GLU A 28 6.036 -4.234 -11.260 1.00 0.00 C ATOM 416 CD GLU A 28 7.462 -3.833 -11.585 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.322 -3.924 -10.684 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.717 -3.429 -12.738 1.00 0.00 O ATOM 0 H GLU A 28 7.370 -2.120 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 28 5.736 -1.681 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.791 -3.573 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.322 -3.522 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.026 -5.260 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.441 -4.216 -12.173 1.00 0.00 H new ATOM 425 N ILE A 29 4.559 -0.391 -8.860 1.00 0.00 N ATOM 426 CA ILE A 29 3.482 0.412 -8.293 1.00 0.00 C ATOM 427 C ILE A 29 3.639 1.883 -8.663 1.00 0.00 C ATOM 428 O ILE A 29 2.656 2.579 -8.911 1.00 0.00 O ATOM 429 CB ILE A 29 3.433 0.283 -6.759 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.794 -1.049 -6.357 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.664 1.448 -6.154 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.445 -1.289 -6.997 1.00 0.00 C ATOM 0 H ILE A 29 5.411 -0.411 -8.299 1.00 0.00 H new ATOM 0 HA ILE A 29 2.550 0.032 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 29 4.453 0.306 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.466 -1.862 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.683 -1.077 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.638 1.343 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.157 2.384 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.646 1.453 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.052 -2.251 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.757 -0.496 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.553 -1.294 -8.082 1.00 0.00 H new ATOM 444 N ALA A 30 4.884 2.348 -8.700 1.00 0.00 N ATOM 445 CA ALA A 30 5.170 3.736 -9.044 1.00 0.00 C ATOM 446 C ALA A 30 4.594 4.092 -10.410 1.00 0.00 C ATOM 447 O ALA A 30 4.538 5.264 -10.786 1.00 0.00 O ATOM 448 CB ALA A 30 6.671 3.986 -9.020 1.00 0.00 C ATOM 0 H ALA A 30 5.710 1.785 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 30 4.694 4.375 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.871 5.026 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.058 3.779 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.160 3.332 -9.742 1.00 0.00 H new ATOM 454 N LYS A 31 4.168 3.075 -11.151 1.00 0.00 N ATOM 455 CA LYS A 31 3.595 3.280 -12.477 1.00 0.00 C ATOM 456 C LYS A 31 2.071 3.270 -12.419 1.00 0.00 C ATOM 457 O LYS A 31 1.414 4.174 -12.935 1.00 0.00 O ATOM 458 CB LYS A 31 4.087 2.198 -13.440 1.00 0.00 C ATOM 459 CG LYS A 31 4.298 0.846 -12.781 1.00 0.00 C ATOM 460 CD LYS A 31 4.762 -0.197 -13.783 1.00 0.00 C ATOM 461 CE LYS A 31 6.265 -0.126 -14.006 1.00 0.00 C ATOM 462 NZ LYS A 31 6.647 -0.609 -15.362 1.00 0.00 N ATOM 0 H LYS A 31 4.209 2.099 -10.856 1.00 0.00 H new ATOM 0 HA LYS A 31 3.920 4.255 -12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.366 2.089 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.025 2.523 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.036 0.940 -11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.368 0.517 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.493 -1.191 -13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.245 -0.048 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.603 0.902 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.773 -0.725 -13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.679 -0.545 -15.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.347 -1.598 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.182 -0.021 -16.083 1.00 0.00 H new ATOM 476 N VAL A 32 1.515 2.242 -11.785 1.00 0.00 N ATOM 477 CA VAL A 32 0.068 2.116 -11.658 1.00 0.00 C ATOM 478 C VAL A 32 -0.503 3.212 -10.766 1.00 0.00 C ATOM 479 O VAL A 32 -1.618 3.689 -10.985 1.00 0.00 O ATOM 480 CB VAL A 32 -0.327 0.743 -11.081 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.259 -0.379 -11.924 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.124 0.624 -9.633 1.00 0.00 C ATOM 0 H VAL A 32 2.044 1.485 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.347 2.214 -12.661 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.413 0.656 -11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.031 -1.341 -11.501 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.118 -0.303 -12.944 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.346 -0.299 -11.932 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.163 -0.352 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.207 0.732 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.349 1.407 -9.039 1.00 0.00 H new ATOM 492 N THR A 33 0.268 3.610 -9.759 1.00 0.00 N ATOM 493 CA THR A 33 -0.161 4.651 -8.833 1.00 0.00 C ATOM 494 C THR A 33 0.959 5.652 -8.575 1.00 0.00 C ATOM 495 O THR A 33 1.976 5.317 -7.969 1.00 0.00 O ATOM 496 CB THR A 33 -0.619 4.053 -7.489 1.00 0.00 C ATOM 497 OG1 THR A 33 0.503 3.504 -6.789 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.666 2.971 -7.707 1.00 0.00 C ATOM 0 H THR A 33 1.193 3.227 -9.564 1.00 0.00 H new ATOM 0 HA THR A 33 -1.002 5.163 -9.300 1.00 0.00 H new ATOM 0 HB THR A 33 -1.063 4.851 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.254 4.132 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.974 2.564 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.531 3.399 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.244 2.174 -8.320 1.00 0.00 H new ATOM 506 N GLU A 34 0.764 6.883 -9.037 1.00 0.00 N ATOM 507 CA GLU A 34 1.759 7.934 -8.856 1.00 0.00 C ATOM 508 C GLU A 34 1.562 8.645 -7.520 1.00 0.00 C ATOM 509 O GLU A 34 0.443 9.004 -7.155 1.00 0.00 O ATOM 510 CB GLU A 34 1.680 8.945 -10.001 1.00 0.00 C ATOM 511 CG GLU A 34 3.019 9.574 -10.351 1.00 0.00 C ATOM 512 CD GLU A 34 2.971 10.366 -11.643 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.273 11.401 -11.680 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.633 9.952 -12.617 1.00 0.00 O ATOM 0 H GLU A 34 -0.074 7.177 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 34 2.745 7.470 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.279 8.449 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.977 9.733 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.332 10.230 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.773 8.791 -10.437 1.00 0.00 H new ATOM 521 N GLY A 35 2.658 8.845 -6.795 1.00 0.00 N ATOM 522 CA GLY A 35 2.585 9.512 -5.508 1.00 0.00 C ATOM 523 C GLY A 35 3.111 8.649 -4.378 1.00 0.00 C ATOM 524 O GLY A 35 3.073 9.048 -3.214 1.00 0.00 O ATOM 0 H GLY A 35 3.595 8.557 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.157 10.439 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.550 9.785 -5.302 1.00 0.00 H new ATOM 528 N VAL A 36 3.603 7.463 -4.720 1.00 0.00 N ATOM 529 CA VAL A 36 4.139 6.541 -3.726 1.00 0.00 C ATOM 530 C VAL A 36 5.451 7.060 -3.147 1.00 0.00 C ATOM 531 O VAL A 36 6.174 7.815 -3.798 1.00 0.00 O ATOM 532 CB VAL A 36 4.372 5.142 -4.325 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.273 4.796 -5.317 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.741 5.067 -4.986 1.00 0.00 C ATOM 0 H VAL A 36 3.642 7.118 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 36 3.398 6.467 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 36 4.343 4.411 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.455 3.804 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.308 4.807 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.267 5.529 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.889 4.071 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.801 5.808 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.514 5.268 -4.245 1.00 0.00 H new ATOM 544 N LEU A 37 5.753 6.648 -1.920 1.00 0.00 N ATOM 545 CA LEU A 37 6.980 7.070 -1.252 1.00 0.00 C ATOM 546 C LEU A 37 7.928 5.891 -1.060 1.00 0.00 C ATOM 547 O LEU A 37 9.114 5.977 -1.380 1.00 0.00 O ATOM 548 CB LEU A 37 6.654 7.704 0.101 1.00 0.00 C ATOM 549 CG LEU A 37 7.622 8.784 0.587 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.742 9.896 -0.445 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.167 9.344 1.927 1.00 0.00 C ATOM 0 H LEU A 37 5.166 6.023 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 37 7.473 7.809 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.656 8.138 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.617 6.914 0.851 1.00 0.00 H new ATOM 0 HG LEU A 37 8.605 8.332 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.435 10.656 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.114 9.483 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.763 10.347 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.867 10.111 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.174 9.781 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.133 8.542 2.664 1.00 0.00 H new ATOM 563 N ASP A 38 7.398 4.792 -0.537 1.00 0.00 N ATOM 564 CA ASP A 38 8.196 3.594 -0.304 1.00 0.00 C ATOM 565 C ASP A 38 7.301 2.374 -0.106 1.00 0.00 C ATOM 566 O ASP A 38 6.116 2.504 0.201 1.00 0.00 O ATOM 567 CB ASP A 38 9.098 3.784 0.916 1.00 0.00 C ATOM 568 CG ASP A 38 10.450 4.363 0.552 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.224 3.672 -0.143 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.736 5.508 0.962 1.00 0.00 O ATOM 0 H ASP A 38 6.418 4.705 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 38 8.819 3.426 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.604 4.443 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.239 2.824 1.413 1.00 0.00 H new ATOM 575 N VAL A 39 7.876 1.189 -0.284 1.00 0.00 N ATOM 576 CA VAL A 39 7.131 -0.054 -0.124 1.00 0.00 C ATOM 577 C VAL A 39 7.724 -0.912 0.988 1.00 0.00 C ATOM 578 O VAL A 39 8.943 -1.058 1.089 1.00 0.00 O ATOM 579 CB VAL A 39 7.112 -0.869 -1.431 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.611 -2.281 -1.172 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.256 -0.174 -2.479 1.00 0.00 C ATOM 0 H VAL A 39 8.856 1.064 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 39 6.110 0.221 0.139 1.00 0.00 H new ATOM 0 HB VAL A 39 8.131 -0.935 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.604 -2.842 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.269 -2.775 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.600 -2.240 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.254 -0.763 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.236 -0.075 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.665 0.815 -2.685 1.00 0.00 H new ATOM 591 N ILE A 40 6.855 -1.476 1.820 1.00 0.00 N ATOM 592 CA ILE A 40 7.294 -2.321 2.924 1.00 0.00 C ATOM 593 C ILE A 40 6.799 -3.752 2.751 1.00 0.00 C ATOM 594 O ILE A 40 5.680 -3.983 2.291 1.00 0.00 O ATOM 595 CB ILE A 40 6.799 -1.779 4.278 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.356 -0.375 4.525 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.201 -2.719 5.404 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.431 0.509 5.331 1.00 0.00 C ATOM 0 H ILE A 40 5.844 -1.363 1.751 1.00 0.00 H new ATOM 0 HA ILE A 40 8.384 -2.312 2.914 1.00 0.00 H new ATOM 0 HB ILE A 40 5.711 -1.719 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.310 -0.458 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.556 0.102 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.844 -2.322 6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.761 -3.701 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.287 -2.808 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.890 1.488 5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.484 0.623 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.251 0.054 6.305 1.00 0.00 H new ATOM 610 N VAL A 41 7.639 -4.712 3.124 1.00 0.00 N ATOM 611 CA VAL A 41 7.286 -6.123 3.013 1.00 0.00 C ATOM 612 C VAL A 41 7.384 -6.822 4.365 1.00 0.00 C ATOM 613 O VAL A 41 8.064 -6.345 5.274 1.00 0.00 O ATOM 614 CB VAL A 41 8.194 -6.851 2.004 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.586 -7.048 2.583 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.581 -8.184 1.602 1.00 0.00 C ATOM 0 H VAL A 41 8.569 -4.539 3.506 1.00 0.00 H new ATOM 0 HA VAL A 41 6.256 -6.165 2.659 1.00 0.00 H new ATOM 0 HB VAL A 41 8.283 -6.233 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.213 -7.564 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.024 -6.077 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.520 -7.644 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.235 -8.685 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.460 -8.810 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.607 -8.013 1.143 1.00 0.00 H new ATOM 626 N TYR A 42 6.703 -7.955 4.489 1.00 0.00 N ATOM 627 CA TYR A 42 6.711 -8.720 5.731 1.00 0.00 C ATOM 628 C TYR A 42 7.515 -10.007 5.572 1.00 0.00 C ATOM 629 O TYR A 42 7.117 -10.914 4.843 1.00 0.00 O ATOM 630 CB TYR A 42 5.281 -9.049 6.161 1.00 0.00 C ATOM 631 CG TYR A 42 4.662 -8.000 7.058 1.00 0.00 C ATOM 632 CD1 TYR A 42 4.759 -6.649 6.750 1.00 0.00 C ATOM 633 CD2 TYR A 42 3.980 -8.361 8.213 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.196 -5.688 7.567 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.412 -7.406 9.035 1.00 0.00 C ATOM 636 CZ TYR A 42 3.524 -6.071 8.708 1.00 0.00 C ATOM 637 OH TYR A 42 2.960 -5.117 9.524 1.00 0.00 O ATOM 0 H TYR A 42 6.138 -8.365 3.745 1.00 0.00 H new ATOM 0 HA TYR A 42 7.183 -8.110 6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.661 -9.167 5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.278 -10.007 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.284 -6.345 5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.892 -9.406 8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.282 -4.642 7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.883 -7.704 9.928 1.00 0.00 H new ATOM 0 HH TYR A 42 2.523 -5.554 10.285 1.00 0.00 H new ATOM 647 N ALA A 43 8.649 -10.077 6.262 1.00 0.00 N ATOM 648 CA ALA A 43 9.509 -11.252 6.201 1.00 0.00 C ATOM 649 C ALA A 43 10.570 -11.214 7.295 1.00 0.00 C ATOM 650 O ALA A 43 11.280 -10.220 7.449 1.00 0.00 O ATOM 651 CB ALA A 43 10.163 -11.357 4.831 1.00 0.00 C ATOM 0 H ALA A 43 8.993 -9.334 6.870 1.00 0.00 H new ATOM 0 HA ALA A 43 8.889 -12.134 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.803 -12.239 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.392 -11.441 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.764 -10.467 4.645 1.00 0.00 H new ATOM 657 N SER A 44 10.672 -12.301 8.053 1.00 0.00 N ATOM 658 CA SER A 44 11.644 -12.389 9.137 1.00 0.00 C ATOM 659 C SER A 44 13.042 -12.032 8.642 1.00 0.00 C ATOM 660 O SER A 44 13.660 -11.083 9.125 1.00 0.00 O ATOM 661 CB SER A 44 11.646 -13.797 9.735 1.00 0.00 C ATOM 662 OG SER A 44 11.814 -14.779 8.727 1.00 0.00 O ATOM 0 H SER A 44 10.094 -13.133 7.937 1.00 0.00 H new ATOM 0 HA SER A 44 11.357 -11.675 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.448 -13.883 10.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.710 -13.972 10.265 1.00 0.00 H new ATOM 0 HG SER A 44 11.814 -15.670 9.135 1.00 0.00 H new ATOM 668 N ALA A 45 13.536 -12.800 7.676 1.00 0.00 N ATOM 669 CA ALA A 45 14.860 -12.564 7.114 1.00 0.00 C ATOM 670 C ALA A 45 14.787 -12.359 5.605 1.00 0.00 C ATOM 671 O ALA A 45 15.285 -11.363 5.080 1.00 0.00 O ATOM 672 CB ALA A 45 15.788 -13.723 7.447 1.00 0.00 C ATOM 0 H ALA A 45 13.039 -13.591 7.267 1.00 0.00 H new ATOM 0 HA ALA A 45 15.260 -11.653 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.773 -13.534 7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.873 -13.822 8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.383 -14.645 7.029 1.00 0.00 H new ATOM 678 N ALA A 46 14.164 -13.307 4.913 1.00 0.00 N ATOM 679 CA ALA A 46 14.026 -13.229 3.464 1.00 0.00 C ATOM 680 C ALA A 46 12.560 -13.303 3.048 1.00 0.00 C ATOM 681 O ALA A 46 11.816 -14.166 3.514 1.00 0.00 O ATOM 682 CB ALA A 46 14.823 -14.340 2.796 1.00 0.00 C ATOM 0 H ALA A 46 13.747 -14.138 5.332 1.00 0.00 H new ATOM 0 HA ALA A 46 14.422 -12.267 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.710 -14.269 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.876 -14.241 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.454 -15.308 3.136 1.00 0.00 H new ATOM 688 N ASP A 47 12.153 -12.394 2.170 1.00 0.00 N ATOM 689 CA ASP A 47 10.776 -12.357 1.690 1.00 0.00 C ATOM 690 C ASP A 47 10.596 -13.271 0.482 1.00 0.00 C ATOM 691 O ASP A 47 10.009 -12.878 -0.526 1.00 0.00 O ATOM 692 CB ASP A 47 10.379 -10.925 1.326 1.00 0.00 C ATOM 693 CG ASP A 47 9.007 -10.851 0.685 1.00 0.00 C ATOM 694 OD1 ASP A 47 8.010 -11.126 1.385 1.00 0.00 O ATOM 695 OD2 ASP A 47 8.930 -10.518 -0.516 1.00 0.00 O ATOM 0 H ASP A 47 12.757 -11.672 1.776 1.00 0.00 H new ATOM 0 HA ASP A 47 10.128 -12.713 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.391 -10.308 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.119 -10.508 0.643 1.00 0.00 H new ATOM 700 N LYS A 48 11.107 -14.493 0.591 1.00 0.00 N ATOM 701 CA LYS A 48 11.003 -15.464 -0.492 1.00 0.00 C ATOM 702 C LYS A 48 10.214 -16.692 -0.048 1.00 0.00 C ATOM 703 O LYS A 48 9.320 -17.156 -0.755 1.00 0.00 O ATOM 704 CB LYS A 48 12.397 -15.885 -0.963 1.00 0.00 C ATOM 705 CG LYS A 48 13.222 -14.738 -1.521 1.00 0.00 C ATOM 706 CD LYS A 48 12.825 -14.410 -2.950 1.00 0.00 C ATOM 707 CE LYS A 48 13.593 -15.260 -3.951 1.00 0.00 C ATOM 708 NZ LYS A 48 12.941 -15.265 -5.290 1.00 0.00 N ATOM 0 H LYS A 48 11.597 -14.834 1.418 1.00 0.00 H new ATOM 0 HA LYS A 48 10.473 -14.992 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.933 -16.335 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.296 -16.655 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.091 -13.856 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.280 -14.999 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.755 -14.573 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.013 -13.355 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.611 -14.881 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.666 -16.282 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.667 -15.350 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.286 -16.070 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.414 -14.378 -5.423 1.00 0.00 H new ATOM 722 N MET A 49 10.549 -17.211 1.129 1.00 0.00 N ATOM 723 CA MET A 49 9.869 -18.383 1.668 1.00 0.00 C ATOM 724 C MET A 49 8.824 -17.978 2.702 1.00 0.00 C ATOM 725 O MET A 49 7.721 -18.524 2.734 1.00 0.00 O ATOM 726 CB MET A 49 10.881 -19.343 2.297 1.00 0.00 C ATOM 727 CG MET A 49 11.780 -20.029 1.281 1.00 0.00 C ATOM 728 SD MET A 49 11.065 -21.554 0.639 1.00 0.00 S ATOM 729 CE MET A 49 12.248 -21.972 -0.639 1.00 0.00 C ATOM 0 H MET A 49 11.287 -16.839 1.727 1.00 0.00 H new ATOM 0 HA MET A 49 9.363 -18.888 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.500 -18.792 3.005 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.344 -20.102 2.866 1.00 0.00 H new ATOM 0 HG2 MET A 49 11.973 -19.346 0.453 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.742 -20.250 1.743 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.942 -22.896 -1.130 1.00 0.00 H new ATOM 0 HE2 MET A 49 12.290 -21.168 -1.373 1.00 0.00 H new ATOM 0 HE3 MET A 49 13.233 -22.107 -0.193 1.00 0.00 H new ATOM 739 N LYS A 50 9.178 -17.017 3.549 1.00 0.00 N ATOM 740 CA LYS A 50 8.272 -16.536 4.585 1.00 0.00 C ATOM 741 C LYS A 50 7.341 -15.459 4.037 1.00 0.00 C ATOM 742 O LYS A 50 6.799 -14.652 4.791 1.00 0.00 O ATOM 743 CB LYS A 50 9.066 -15.984 5.771 1.00 0.00 C ATOM 744 CG LYS A 50 8.263 -15.906 7.057 1.00 0.00 C ATOM 745 CD LYS A 50 7.863 -17.286 7.550 1.00 0.00 C ATOM 746 CE LYS A 50 7.236 -17.224 8.934 1.00 0.00 C ATOM 747 NZ LYS A 50 6.300 -18.358 9.171 1.00 0.00 N ATOM 0 H LYS A 50 10.088 -16.555 3.538 1.00 0.00 H new ATOM 0 HA LYS A 50 7.667 -17.378 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.941 -16.613 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.432 -14.988 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.851 -15.401 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.369 -15.304 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.158 -17.733 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.740 -17.933 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.022 -17.238 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.701 -16.281 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.894 -18.279 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.536 -18.331 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.816 -19.257 9.088 1.00 0.00 H new ATOM 761 N ASN A 51 7.160 -15.453 2.720 1.00 0.00 N ATOM 762 CA ASN A 51 6.294 -14.475 2.072 1.00 0.00 C ATOM 763 C ASN A 51 4.889 -15.037 1.878 1.00 0.00 C ATOM 764 O ASN A 51 4.698 -16.029 1.175 1.00 0.00 O ATOM 765 CB ASN A 51 6.880 -14.060 0.722 1.00 0.00 C ATOM 766 CG ASN A 51 6.117 -12.912 0.088 1.00 0.00 C ATOM 767 OD1 ASN A 51 4.963 -12.655 0.431 1.00 0.00 O ATOM 768 ND2 ASN A 51 6.760 -12.216 -0.842 1.00 0.00 N ATOM 0 H ASN A 51 7.601 -16.114 2.081 1.00 0.00 H new ATOM 0 HA ASN A 51 6.230 -13.599 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.922 -13.770 0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.871 -14.916 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.298 -11.433 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.716 -12.465 -1.095 1.00 0.00 H new ATOM 775 N ARG A 52 3.909 -14.395 2.505 1.00 0.00 N ATOM 776 CA ARG A 52 2.521 -14.831 2.402 1.00 0.00 C ATOM 777 C ARG A 52 1.955 -14.518 1.021 1.00 0.00 C ATOM 778 O ARG A 52 1.202 -15.308 0.453 1.00 0.00 O ATOM 779 CB ARG A 52 1.671 -14.155 3.479 1.00 0.00 C ATOM 780 CG ARG A 52 1.816 -14.786 4.855 1.00 0.00 C ATOM 781 CD ARG A 52 0.894 -15.984 5.018 1.00 0.00 C ATOM 782 NE ARG A 52 -0.514 -15.595 5.022 1.00 0.00 N ATOM 783 CZ ARG A 52 -1.105 -14.985 6.044 1.00 0.00 C ATOM 784 NH1 ARG A 52 -0.413 -14.696 7.137 1.00 0.00 N ATOM 785 NH2 ARG A 52 -2.390 -14.663 5.973 1.00 0.00 N ATOM 0 H ARG A 52 4.050 -13.571 3.090 1.00 0.00 H new ATOM 0 HA ARG A 52 2.493 -15.910 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.947 -13.102 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.624 -14.193 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.849 -15.098 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.591 -14.045 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.072 -16.691 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.130 -16.499 5.949 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.074 -15.803 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.575 -14.942 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.869 -14.228 7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.925 -14.884 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.843 -14.195 6.758 1.00 0.00 H new ATOM 799 N GLY A 53 2.322 -13.357 0.485 1.00 0.00 N ATOM 800 CA GLY A 53 1.840 -12.960 -0.825 1.00 0.00 C ATOM 801 C GLY A 53 1.178 -11.596 -0.810 1.00 0.00 C ATOM 802 O GLY A 53 0.059 -11.436 -1.297 1.00 0.00 O ATOM 0 H GLY A 53 2.944 -12.685 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.674 -12.948 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.128 -13.702 -1.187 1.00 0.00 H new ATOM 806 N PHE A 54 1.871 -10.610 -0.249 1.00 0.00 N ATOM 807 CA PHE A 54 1.342 -9.254 -0.171 1.00 0.00 C ATOM 808 C PHE A 54 2.461 -8.248 0.088 1.00 0.00 C ATOM 809 O PHE A 54 3.583 -8.625 0.425 1.00 0.00 O ATOM 810 CB PHE A 54 0.289 -9.157 0.935 1.00 0.00 C ATOM 811 CG PHE A 54 0.208 -7.798 1.569 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.212 -7.351 2.413 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.872 -6.966 1.320 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.139 -6.101 2.997 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.951 -5.715 1.901 1.00 0.00 C ATOM 816 CZ PHE A 54 0.057 -5.281 2.741 1.00 0.00 C ATOM 0 H PHE A 54 2.799 -10.725 0.158 1.00 0.00 H new ATOM 0 HA PHE A 54 0.877 -9.017 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.686 -9.414 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.513 -9.895 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.061 -7.987 2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.662 -7.300 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.928 -5.765 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.799 -5.077 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.001 -4.303 3.196 1.00 0.00 H new ATOM 826 N ALA A 55 2.146 -6.967 -0.073 1.00 0.00 N ATOM 827 CA ALA A 55 3.123 -5.907 0.144 1.00 0.00 C ATOM 828 C ALA A 55 2.442 -4.613 0.576 1.00 0.00 C ATOM 829 O ALA A 55 1.242 -4.431 0.365 1.00 0.00 O ATOM 830 CB ALA A 55 3.943 -5.680 -1.117 1.00 0.00 C ATOM 0 H ALA A 55 1.222 -6.638 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 55 3.791 -6.220 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.669 -4.886 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.467 -6.599 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.282 -5.393 -1.934 1.00 0.00 H new ATOM 836 N PHE A 56 3.214 -3.717 1.181 1.00 0.00 N ATOM 837 CA PHE A 56 2.684 -2.440 1.644 1.00 0.00 C ATOM 838 C PHE A 56 3.262 -1.285 0.832 1.00 0.00 C ATOM 839 O PHE A 56 4.441 -1.289 0.477 1.00 0.00 O ATOM 840 CB PHE A 56 2.997 -2.241 3.128 1.00 0.00 C ATOM 841 CG PHE A 56 1.922 -2.756 4.042 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.652 -2.202 4.020 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.181 -3.793 4.923 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.340 -2.674 4.859 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.193 -4.269 5.764 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.069 -3.708 5.733 1.00 0.00 C ATOM 0 H PHE A 56 4.209 -3.851 1.362 1.00 0.00 H new ATOM 0 HA PHE A 56 1.603 -2.453 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.935 -2.744 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.148 -1.179 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.435 -1.392 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.166 -4.235 4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.326 -2.234 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.407 -5.079 6.445 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.842 -4.077 6.391 1.00 0.00 H new ATOM 856 N VAL A 57 2.424 -0.295 0.541 1.00 0.00 N ATOM 857 CA VAL A 57 2.850 0.867 -0.229 1.00 0.00 C ATOM 858 C VAL A 57 2.514 2.163 0.501 1.00 0.00 C ATOM 859 O VAL A 57 1.350 2.549 0.594 1.00 0.00 O ATOM 860 CB VAL A 57 2.193 0.890 -1.622 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.940 1.837 -2.549 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.140 -0.512 -2.209 1.00 0.00 C ATOM 0 H VAL A 57 1.445 -0.275 0.827 1.00 0.00 H new ATOM 0 HA VAL A 57 3.931 0.789 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 57 1.171 1.254 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.462 1.840 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.921 2.844 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.974 1.506 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.673 -0.477 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.152 -0.906 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.557 -1.159 -1.554 1.00 0.00 H new ATOM 872 N GLU A 58 3.542 2.830 1.016 1.00 0.00 N ATOM 873 CA GLU A 58 3.355 4.083 1.738 1.00 0.00 C ATOM 874 C GLU A 58 3.337 5.267 0.776 1.00 0.00 C ATOM 875 O GLU A 58 4.280 5.476 0.012 1.00 0.00 O ATOM 876 CB GLU A 58 4.465 4.271 2.774 1.00 0.00 C ATOM 877 CG GLU A 58 4.080 5.197 3.916 1.00 0.00 C ATOM 878 CD GLU A 58 5.271 5.941 4.489 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.142 5.288 5.100 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.331 7.178 4.326 1.00 0.00 O ATOM 0 H GLU A 58 4.512 2.524 0.947 1.00 0.00 H new ATOM 0 HA GLU A 58 2.394 4.038 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.738 3.298 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.350 4.668 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.342 5.917 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.605 4.616 4.706 1.00 0.00 H new ATOM 887 N TYR A 59 2.257 6.039 0.818 1.00 0.00 N ATOM 888 CA TYR A 59 2.113 7.201 -0.051 1.00 0.00 C ATOM 889 C TYR A 59 2.322 8.495 0.731 1.00 0.00 C ATOM 890 O TYR A 59 1.797 8.659 1.831 1.00 0.00 O ATOM 891 CB TYR A 59 0.731 7.206 -0.707 1.00 0.00 C ATOM 892 CG TYR A 59 0.527 6.081 -1.696 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.181 4.806 -1.266 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.679 6.293 -3.061 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.006 3.775 -2.167 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.493 5.269 -3.968 1.00 0.00 C ATOM 897 CZ TYR A 59 0.151 4.011 -3.516 1.00 0.00 C ATOM 898 OH TYR A 59 -0.035 2.987 -4.416 1.00 0.00 O ATOM 0 H TYR A 59 1.468 5.881 1.445 1.00 0.00 H new ATOM 0 HA TYR A 59 2.876 7.139 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.031 7.139 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.583 8.158 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.056 4.617 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.947 7.276 -3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.274 2.789 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.615 5.452 -5.025 1.00 0.00 H new ATOM 0 HH TYR A 59 0.113 3.320 -5.326 1.00 0.00 H new ATOM 908 N GLU A 60 3.092 9.411 0.151 1.00 0.00 N ATOM 909 CA GLU A 60 3.370 10.691 0.793 1.00 0.00 C ATOM 910 C GLU A 60 2.075 11.431 1.115 1.00 0.00 C ATOM 911 O GLU A 60 1.859 11.862 2.247 1.00 0.00 O ATOM 912 CB GLU A 60 4.255 11.556 -0.107 1.00 0.00 C ATOM 913 CG GLU A 60 3.692 11.755 -1.504 1.00 0.00 C ATOM 914 CD GLU A 60 4.676 12.430 -2.439 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.221 13.489 -2.062 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.902 11.900 -3.547 1.00 0.00 O ATOM 0 H GLU A 60 3.534 9.291 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 60 3.897 10.494 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.393 12.530 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.240 11.096 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.408 10.788 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.784 12.355 -1.444 1.00 0.00 H new ATOM 923 N SER A 61 1.217 11.575 0.110 1.00 0.00 N ATOM 924 CA SER A 61 -0.055 12.267 0.284 1.00 0.00 C ATOM 925 C SER A 61 -1.172 11.278 0.601 1.00 0.00 C ATOM 926 O SER A 61 -1.321 10.256 -0.070 1.00 0.00 O ATOM 927 CB SER A 61 -0.403 13.061 -0.976 1.00 0.00 C ATOM 928 OG SER A 61 0.680 13.881 -1.378 1.00 0.00 O ATOM 0 H SER A 61 1.379 11.222 -0.833 1.00 0.00 H new ATOM 0 HA SER A 61 0.045 12.956 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.662 12.375 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.281 13.679 -0.789 1.00 0.00 H new ATOM 0 HG SER A 61 0.433 14.377 -2.186 1.00 0.00 H new ATOM 934 N HIS A 62 -1.956 11.589 1.628 1.00 0.00 N ATOM 935 CA HIS A 62 -3.061 10.729 2.035 1.00 0.00 C ATOM 936 C HIS A 62 -4.020 10.490 0.873 1.00 0.00 C ATOM 937 O HIS A 62 -4.771 9.514 0.865 1.00 0.00 O ATOM 938 CB HIS A 62 -3.813 11.351 3.212 1.00 0.00 C ATOM 939 CG HIS A 62 -5.154 10.732 3.460 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.316 9.429 3.881 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.401 11.247 3.346 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.605 9.168 4.013 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.285 10.255 3.695 1.00 0.00 N ATOM 0 H HIS A 62 -1.846 12.431 2.194 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.647 9.770 2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.206 11.255 4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.943 12.417 3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.654 12.251 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.030 8.226 4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.301 10.343 3.707 1.00 0.00 H new ATOM 951 N ARG A 63 -3.990 11.388 -0.107 1.00 0.00 N ATOM 952 CA ARG A 63 -4.858 11.276 -1.273 1.00 0.00 C ATOM 953 C ARG A 63 -4.252 10.341 -2.314 1.00 0.00 C ATOM 954 O ARG A 63 -4.945 9.502 -2.889 1.00 0.00 O ATOM 955 CB ARG A 63 -5.100 12.655 -1.889 1.00 0.00 C ATOM 956 CG ARG A 63 -5.965 12.620 -3.139 1.00 0.00 C ATOM 957 CD ARG A 63 -7.430 12.402 -2.797 1.00 0.00 C ATOM 958 NE ARG A 63 -8.134 13.662 -2.572 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.269 13.757 -1.890 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.827 12.673 -1.369 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.850 14.940 -1.728 1.00 0.00 N ATOM 0 H ARG A 63 -3.374 12.201 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.811 10.859 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.574 13.297 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.139 13.108 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.853 13.556 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.622 11.823 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.914 11.856 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.505 11.781 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.732 14.515 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.384 11.762 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.699 12.750 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.424 15.776 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.722 15.012 -1.204 1.00 0.00 H new ATOM 975 N ALA A 64 -2.953 10.492 -2.553 1.00 0.00 N ATOM 976 CA ALA A 64 -2.252 9.660 -3.523 1.00 0.00 C ATOM 977 C ALA A 64 -2.607 8.188 -3.342 1.00 0.00 C ATOM 978 O ALA A 64 -2.609 7.418 -4.302 1.00 0.00 O ATOM 979 CB ALA A 64 -0.749 9.861 -3.404 1.00 0.00 C ATOM 0 H ALA A 64 -2.365 11.183 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.569 9.963 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.239 9.233 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.506 10.907 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.424 9.587 -2.400 1.00 0.00 H new ATOM 985 N ALA A 65 -2.905 7.804 -2.105 1.00 0.00 N ATOM 986 CA ALA A 65 -3.263 6.424 -1.799 1.00 0.00 C ATOM 987 C ALA A 65 -4.744 6.170 -2.059 1.00 0.00 C ATOM 988 O ALA A 65 -5.118 5.140 -2.618 1.00 0.00 O ATOM 989 CB ALA A 65 -2.914 6.097 -0.355 1.00 0.00 C ATOM 0 H ALA A 65 -2.906 8.429 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.689 5.771 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.186 5.064 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.843 6.230 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.462 6.763 0.312 1.00 0.00 H new ATOM 995 N ALA A 66 -5.582 7.116 -1.648 1.00 0.00 N ATOM 996 CA ALA A 66 -7.022 6.994 -1.838 1.00 0.00 C ATOM 997 C ALA A 66 -7.374 6.890 -3.318 1.00 0.00 C ATOM 998 O ALA A 66 -8.173 6.043 -3.717 1.00 0.00 O ATOM 999 CB ALA A 66 -7.740 8.178 -1.205 1.00 0.00 C ATOM 0 H ALA A 66 -5.289 7.975 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.352 6.078 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.815 8.074 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.523 8.206 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.397 9.102 -1.670 1.00 0.00 H new ATOM 1005 N MET A 67 -6.774 7.757 -4.127 1.00 0.00 N ATOM 1006 CA MET A 67 -7.024 7.761 -5.564 1.00 0.00 C ATOM 1007 C MET A 67 -6.202 6.683 -6.262 1.00 0.00 C ATOM 1008 O MET A 67 -6.435 6.369 -7.429 1.00 0.00 O ATOM 1009 CB MET A 67 -6.697 9.133 -6.156 1.00 0.00 C ATOM 1010 CG MET A 67 -5.257 9.564 -5.930 1.00 0.00 C ATOM 1011 SD MET A 67 -4.637 10.630 -7.245 1.00 0.00 S ATOM 1012 CE MET A 67 -4.404 12.167 -6.354 1.00 0.00 C ATOM 0 H MET A 67 -6.111 8.466 -3.812 1.00 0.00 H new ATOM 0 HA MET A 67 -8.081 7.547 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.899 9.115 -7.227 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.363 9.877 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.184 10.089 -4.977 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.624 8.679 -5.856 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.940 12.902 -7.012 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.370 12.541 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.760 11.994 -5.492 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.239 6.119 -5.540 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.383 5.075 -6.090 1.00 0.00 C ATOM 1024 C ALA A 68 -5.030 3.702 -5.946 1.00 0.00 C ATOM 1025 O ALA A 68 -4.656 2.753 -6.635 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.023 5.094 -5.409 1.00 0.00 C ATOM 0 H ALA A 68 -5.032 6.368 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.247 5.274 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.394 4.309 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.550 6.063 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.149 4.924 -4.340 1.00 0.00 H new ATOM 1032 N ARG A 69 -6.003 3.603 -5.046 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.701 2.345 -4.811 1.00 0.00 C ATOM 1034 C ARG A 69 -7.915 2.217 -5.727 1.00 0.00 C ATOM 1035 O ARG A 69 -8.188 1.144 -6.266 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.140 2.246 -3.349 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.924 3.455 -2.865 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.585 3.190 -1.521 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.822 3.948 -1.360 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.983 3.581 -1.891 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.065 2.472 -2.613 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.066 4.325 -1.700 1.00 0.00 N ATOM 0 H ARG A 69 -6.326 4.379 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.012 1.530 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.751 1.353 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.258 2.121 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.257 4.313 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.685 3.715 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.797 2.125 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.894 3.450 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.793 4.806 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.235 1.898 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.958 2.193 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.007 5.179 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.957 4.043 -2.108 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.640 3.318 -5.897 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.825 3.328 -6.746 1.00 0.00 C ATOM 1058 C ARG A 70 -9.475 2.918 -8.173 1.00 0.00 C ATOM 1059 O ARG A 70 -10.358 2.648 -8.988 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.466 4.717 -6.746 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.716 5.734 -7.591 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.660 6.766 -8.189 1.00 0.00 C ATOM 1063 NE ARG A 70 -10.864 7.903 -7.295 1.00 0.00 N ATOM 1064 CZ ARG A 70 -10.067 8.965 -7.264 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -9.018 9.035 -8.072 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -10.318 9.960 -6.423 1.00 0.00 N ATOM 0 H ARG A 70 -8.428 4.214 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.536 2.607 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.489 4.636 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.524 5.081 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.967 6.236 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.182 5.221 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.257 7.119 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.620 6.297 -8.405 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.662 7.880 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.821 8.272 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.408 9.852 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.124 9.910 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.705 10.775 -6.400 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.181 2.872 -8.470 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.713 2.494 -9.798 1.00 0.00 C ATOM 1082 C LYS A 71 -7.420 0.999 -9.866 1.00 0.00 C ATOM 1083 O LYS A 71 -7.580 0.371 -10.914 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.456 3.288 -10.164 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.904 2.953 -11.539 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.570 3.638 -11.785 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.938 3.174 -13.088 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.354 4.021 -14.240 1.00 0.00 N ATOM 0 H LYS A 71 -7.437 3.092 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.502 2.725 -10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.684 4.353 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.686 3.098 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.782 1.874 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.618 3.259 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.714 4.718 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.894 3.428 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.852 3.198 -12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.219 2.138 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.902 3.672 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.388 3.979 -14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.064 5.005 -14.070 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.991 0.433 -8.744 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.677 -0.990 -8.675 1.00 0.00 C ATOM 1104 C LEU A 72 -7.742 -1.746 -7.886 1.00 0.00 C ATOM 1105 O LEU A 72 -7.637 -2.955 -7.685 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.305 -1.200 -8.032 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.234 -0.166 -8.383 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.989 -0.378 -7.536 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.892 -0.234 -9.864 1.00 0.00 C ATOM 0 H LEU A 72 -6.852 0.938 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.658 -1.382 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.431 -1.210 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.938 -2.185 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.630 0.826 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.238 0.367 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.245 -0.277 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.590 -1.376 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.128 0.509 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.516 -1.228 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.786 -0.031 -10.454 1.00 0.00 H new ATOM 1121 N MET A 73 -8.766 -1.024 -7.444 1.00 0.00 N ATOM 1122 CA MET A 73 -9.852 -1.627 -6.680 1.00 0.00 C ATOM 1123 C MET A 73 -10.600 -2.658 -7.519 1.00 0.00 C ATOM 1124 O MET A 73 -10.798 -3.802 -7.110 1.00 0.00 O ATOM 1125 CB MET A 73 -10.821 -0.549 -6.192 1.00 0.00 C ATOM 1126 CG MET A 73 -11.391 -0.824 -4.810 1.00 0.00 C ATOM 1127 SD MET A 73 -12.180 -2.441 -4.694 1.00 0.00 S ATOM 1128 CE MET A 73 -11.219 -3.194 -3.383 1.00 0.00 C ATOM 0 H MET A 73 -8.867 -0.021 -7.601 1.00 0.00 H new ATOM 0 HA MET A 73 -9.418 -2.133 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.306 0.412 -6.179 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.642 -0.461 -6.904 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.591 -0.760 -4.072 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.117 -0.051 -4.560 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.684 -4.134 -3.085 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.207 -3.387 -3.739 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.181 -2.520 -2.527 1.00 0.00 H new ATOM 1138 N PRO A 74 -11.027 -2.245 -8.722 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.760 -3.118 -9.644 1.00 0.00 C ATOM 1140 C PRO A 74 -10.879 -4.218 -10.225 1.00 0.00 C ATOM 1141 O PRO A 74 -11.331 -5.026 -11.036 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.220 -2.162 -10.748 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.236 -1.044 -10.714 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.827 -0.896 -9.275 1.00 0.00 C ATOM 0 HA PRO A 74 -12.577 -3.641 -9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.227 -2.654 -11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.233 -1.804 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.374 -1.264 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.680 -0.122 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.790 -0.574 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.437 -0.155 -8.758 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.617 -4.244 -9.805 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.693 -5.250 -10.294 1.00 0.00 C ATOM 1154 C GLY A 75 -8.425 -5.118 -11.780 1.00 0.00 C ATOM 1155 O GLY A 75 -8.123 -6.103 -12.453 1.00 0.00 O ATOM 0 H GLY A 75 -9.219 -3.586 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.752 -5.170 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.097 -6.241 -10.087 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.538 -3.897 -12.294 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.309 -3.640 -13.710 1.00 0.00 C ATOM 1161 C ARG A 76 -6.834 -3.807 -14.062 1.00 0.00 C ATOM 1162 O ARG A 76 -6.494 -4.302 -15.137 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.775 -2.230 -14.077 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.257 -1.995 -13.831 1.00 0.00 C ATOM 1165 CD ARG A 76 -11.087 -2.346 -15.056 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.500 -2.518 -14.729 1.00 0.00 N ATOM 1167 CZ ARG A 76 -13.002 -3.631 -14.205 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.211 -4.663 -13.949 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -14.299 -3.712 -13.935 1.00 0.00 N ATOM 0 H ARG A 76 -8.787 -3.071 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.886 -4.366 -14.282 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.200 -1.505 -13.501 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.556 -2.046 -15.129 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.586 -2.595 -12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.422 -0.951 -13.565 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.981 -1.559 -15.803 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.704 -3.264 -15.503 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.136 -1.742 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.214 -4.604 -14.154 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.600 -5.516 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.911 -2.920 -14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.684 -4.567 -13.533 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.963 -3.391 -13.149 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.525 -3.495 -13.362 1.00 0.00 C ATOM 1185 C ILE A 77 -3.929 -4.635 -12.544 1.00 0.00 C ATOM 1186 O ILE A 77 -4.261 -4.810 -11.372 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.805 -2.184 -12.995 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.209 -1.067 -13.960 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.297 -2.385 -13.011 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.405 -0.268 -13.493 1.00 0.00 C ATOM 0 H ILE A 77 -6.228 -2.979 -12.255 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.377 -3.696 -14.423 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.103 -1.894 -11.987 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.363 -0.393 -14.097 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.431 -1.502 -14.934 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.802 -1.449 -12.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.025 -3.154 -12.288 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.982 -2.696 -14.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.634 0.506 -14.226 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.264 -0.930 -13.383 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.180 0.197 -12.533 1.00 0.00 H new ATOM 1202 N GLN A 78 -3.046 -5.407 -13.170 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.402 -6.530 -12.499 1.00 0.00 C ATOM 1204 C GLN A 78 -0.896 -6.315 -12.400 1.00 0.00 C ATOM 1205 O GLN A 78 -0.347 -5.402 -13.018 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.696 -7.833 -13.244 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.165 -8.022 -13.583 1.00 0.00 C ATOM 1208 CD GLN A 78 -5.064 -7.916 -12.367 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.590 -7.732 -11.245 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -6.369 -8.031 -12.582 1.00 0.00 N ATOM 0 H GLN A 78 -2.761 -5.275 -14.140 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.807 -6.598 -11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.114 -7.854 -14.165 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.361 -8.673 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.464 -7.273 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.304 -8.998 -14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.719 -8.183 -13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.022 -7.967 -11.801 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.232 -7.160 -11.620 1.00 0.00 N ATOM 1220 CA LEU A 79 1.212 -7.063 -11.440 1.00 0.00 C ATOM 1221 C LEU A 79 1.903 -8.353 -11.870 1.00 0.00 C ATOM 1222 O LEU A 79 1.662 -9.417 -11.301 1.00 0.00 O ATOM 1223 CB LEU A 79 1.544 -6.756 -9.978 1.00 0.00 C ATOM 1224 CG LEU A 79 1.057 -5.407 -9.448 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.420 -5.249 -7.979 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.642 -4.268 -10.270 1.00 0.00 C ATOM 0 H LEU A 79 -0.671 -7.921 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 79 1.578 -6.250 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.118 -7.543 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.626 -6.803 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.029 -5.373 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.066 -4.283 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.952 -6.046 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.502 -5.304 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.284 -3.316 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.730 -4.299 -10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.331 -4.372 -11.309 1.00 0.00 H new ATOM 1238 N TRP A 80 2.763 -8.249 -12.877 1.00 0.00 N ATOM 1239 CA TRP A 80 3.491 -9.407 -13.382 1.00 0.00 C ATOM 1240 C TRP A 80 2.529 -10.479 -13.882 1.00 0.00 C ATOM 1241 O TRP A 80 2.819 -11.672 -13.804 1.00 0.00 O ATOM 1242 CB TRP A 80 4.394 -9.984 -12.291 1.00 0.00 C ATOM 1243 CG TRP A 80 5.190 -8.941 -11.566 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.313 -8.307 -12.015 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.923 -8.413 -10.262 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.760 -7.417 -11.069 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.925 -7.462 -9.985 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.935 -8.649 -9.302 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 5.966 -6.751 -8.788 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.977 -7.943 -8.115 1.00 0.00 C ATOM 1251 CH2 TRP A 80 4.986 -7.003 -7.867 1.00 0.00 C ATOM 0 H TRP A 80 2.973 -7.375 -13.359 1.00 0.00 H new ATOM 0 HA TRP A 80 4.108 -9.080 -14.219 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.781 -10.528 -11.572 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.077 -10.706 -12.739 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.781 -8.480 -12.973 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.581 -6.819 -11.160 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.152 -9.371 -9.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.743 -6.027 -8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.219 -8.119 -7.366 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.990 -6.466 -6.930 1.00 0.00 H new ATOM 1262 N GLY A 81 1.381 -10.046 -14.396 1.00 0.00 N ATOM 1263 CA GLY A 81 0.394 -10.982 -14.901 1.00 0.00 C ATOM 1264 C GLY A 81 -0.385 -11.658 -13.790 1.00 0.00 C ATOM 1265 O GLY A 81 -1.197 -12.548 -14.045 1.00 0.00 O ATOM 0 H GLY A 81 1.118 -9.064 -14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.298 -10.456 -15.558 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.892 -11.740 -15.505 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.137 -11.237 -12.554 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.820 -11.809 -11.400 1.00 0.00 C ATOM 1271 C HIS A 82 -1.891 -10.857 -10.876 1.00 0.00 C ATOM 1272 O HIS A 82 -1.659 -9.655 -10.754 1.00 0.00 O ATOM 1273 CB HIS A 82 0.184 -12.127 -10.291 1.00 0.00 C ATOM 1274 CG HIS A 82 1.060 -13.303 -10.595 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.583 -14.124 -9.619 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.503 -13.795 -11.776 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.312 -15.069 -10.186 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.279 -14.892 -11.494 1.00 0.00 N ATOM 0 H HIS A 82 0.532 -10.502 -12.326 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.304 -12.733 -11.717 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.811 -11.252 -10.118 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.358 -12.318 -9.365 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.286 -13.399 -12.757 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.844 -15.853 -9.668 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.753 -15.476 -12.183 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.063 -11.404 -10.568 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.169 -10.602 -10.059 1.00 0.00 C ATOM 1288 C GLN A 83 -3.783 -9.906 -8.758 1.00 0.00 C ATOM 1289 O GLN A 83 -3.122 -10.493 -7.901 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.402 -11.479 -9.835 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.623 -10.704 -9.366 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.905 -11.503 -9.492 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.815 -11.126 -10.232 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.984 -12.614 -8.769 1.00 0.00 N ATOM 0 H GLN A 83 -3.271 -12.398 -10.662 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.404 -9.840 -10.802 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.644 -11.995 -10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.163 -12.246 -9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.484 -10.409 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.712 -9.787 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.206 -12.889 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.823 -13.193 -8.813 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.198 -8.651 -8.618 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.896 -7.876 -7.421 1.00 0.00 C ATOM 1305 C ILE A 84 -5.119 -7.100 -6.945 1.00 0.00 C ATOM 1306 O ILE A 84 -6.001 -6.766 -7.736 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.739 -6.889 -7.667 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -3.032 -6.023 -8.894 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.429 -7.641 -7.843 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.769 -4.743 -8.569 1.00 0.00 C ATOM 0 H ILE A 84 -4.744 -8.150 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.598 -8.588 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.646 -6.237 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.092 -5.776 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.622 -6.602 -9.605 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.621 -6.930 -8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.217 -8.219 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.508 -8.315 -8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.942 -4.180 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.725 -4.982 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.171 -4.143 -7.883 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.164 -6.816 -5.648 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.278 -6.075 -5.066 1.00 0.00 C ATOM 1324 C ALA A 85 -5.788 -5.077 -4.023 1.00 0.00 C ATOM 1325 O ALA A 85 -4.886 -5.375 -3.240 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.285 -7.035 -4.450 1.00 0.00 C ATOM 0 H ALA A 85 -4.443 -7.087 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.767 -5.516 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.111 -6.469 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.667 -7.705 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.799 -7.620 -3.669 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.388 -3.891 -4.017 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.013 -2.849 -3.069 1.00 0.00 C ATOM 1334 C VAL A 86 -7.040 -2.730 -1.949 1.00 0.00 C ATOM 1335 O VAL A 86 -8.246 -2.792 -2.189 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.868 -1.483 -3.766 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.675 -1.487 -4.708 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.146 -1.127 -4.511 1.00 0.00 C ATOM 0 H VAL A 86 -7.136 -3.628 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.051 -3.137 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.695 -0.723 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.589 -0.514 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.766 -1.693 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.813 -2.257 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.026 -0.159 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.353 -1.888 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.976 -1.078 -3.807 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.553 -2.559 -0.724 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.429 -2.429 0.435 1.00 0.00 C ATOM 1350 C ASP A 87 -6.915 -1.354 1.387 1.00 0.00 C ATOM 1351 O ASP A 87 -5.731 -1.016 1.376 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.540 -3.767 1.169 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.682 -4.618 0.650 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.672 -4.044 0.150 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.586 -5.860 0.745 1.00 0.00 O ATOM 0 H ASP A 87 -5.557 -2.507 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.417 -2.134 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.604 -4.316 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.682 -3.583 2.234 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.812 -0.819 2.207 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.449 0.219 3.164 1.00 0.00 C ATOM 1362 C TRP A 88 -6.652 -0.365 4.325 1.00 0.00 C ATOM 1363 O TRP A 88 -7.172 -1.159 5.109 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.704 0.917 3.691 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.110 2.106 2.874 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.351 2.369 2.368 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.271 3.193 2.467 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.334 3.553 1.672 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.070 4.078 1.718 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.923 3.505 2.665 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.564 5.252 1.167 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.422 4.670 2.116 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.241 5.533 1.375 1.00 0.00 C ATOM 0 H TRP A 88 -8.796 -1.087 2.228 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.824 0.949 2.650 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.527 0.202 3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.530 1.234 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.218 1.739 2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.133 3.973 1.198 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.285 2.848 3.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.194 5.918 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.381 4.920 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.820 6.437 0.960 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.389 0.032 4.429 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.521 -0.451 5.497 1.00 0.00 C ATOM 1386 C ALA A 89 -4.929 0.136 6.844 1.00 0.00 C ATOM 1387 O ALA A 89 -5.253 -0.597 7.777 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.069 -0.114 5.190 1.00 0.00 C ATOM 0 H ALA A 89 -4.943 0.687 3.787 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.627 -1.534 5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.432 -0.480 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.776 -0.587 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.957 0.967 5.102 1.00 0.00 H new ATOM 1394 N GLU A 90 -4.910 1.462 6.936 1.00 0.00 N ATOM 1395 CA GLU A 90 -5.276 2.146 8.171 1.00 0.00 C ATOM 1396 C GLU A 90 -6.792 2.280 8.289 1.00 0.00 C ATOM 1397 O GLU A 90 -7.472 2.749 7.376 1.00 0.00 O ATOM 1398 CB GLU A 90 -4.625 3.530 8.226 1.00 0.00 C ATOM 1399 CG GLU A 90 -5.010 4.431 7.065 1.00 0.00 C ATOM 1400 CD GLU A 90 -6.386 5.044 7.234 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -6.960 4.921 8.336 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -6.890 5.647 6.263 1.00 0.00 O ATOM 0 H GLU A 90 -4.646 2.083 6.171 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.914 1.549 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.904 4.017 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.541 3.412 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.271 5.227 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.984 3.856 6.139 1.00 0.00 H new ATOM 1409 N PRO A 91 -7.335 1.859 9.441 1.00 0.00 N ATOM 1410 CA PRO A 91 -8.775 1.922 9.707 1.00 0.00 C ATOM 1411 C PRO A 91 -9.270 3.353 9.883 1.00 0.00 C ATOM 1412 O PRO A 91 -10.236 3.768 9.244 1.00 0.00 O ATOM 1413 CB PRO A 91 -8.929 1.138 11.013 1.00 0.00 C ATOM 1414 CG PRO A 91 -7.601 1.249 11.680 1.00 0.00 C ATOM 1415 CD PRO A 91 -6.584 1.290 10.573 1.00 0.00 C ATOM 0 HA PRO A 91 -9.360 1.519 8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.721 1.556 11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.190 0.097 10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -7.546 2.148 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.424 0.401 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.726 1.909 10.838 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.201 0.296 10.342 1.00 0.00 H new ATOM 1423 N GLU A 92 -8.601 4.103 10.754 1.00 0.00 N ATOM 1424 CA GLU A 92 -8.975 5.489 11.013 1.00 0.00 C ATOM 1425 C GLU A 92 -7.817 6.256 11.644 1.00 0.00 C ATOM 1426 O GLU A 92 -7.511 6.079 12.824 1.00 0.00 O ATOM 1427 CB GLU A 92 -10.199 5.547 11.930 1.00 0.00 C ATOM 1428 CG GLU A 92 -10.080 4.664 13.161 1.00 0.00 C ATOM 1429 CD GLU A 92 -11.349 4.648 13.991 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -12.439 4.840 13.414 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -11.250 4.442 15.219 1.00 0.00 O ATOM 0 H GLU A 92 -7.799 3.775 11.291 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.221 5.956 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.357 6.578 12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.081 5.249 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.839 3.647 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.252 5.015 13.777 1.00 0.00 H new ATOM 1438 N ILE A 93 -7.177 7.107 10.850 1.00 0.00 N ATOM 1439 CA ILE A 93 -6.053 7.902 11.331 1.00 0.00 C ATOM 1440 C ILE A 93 -6.535 9.128 12.098 1.00 0.00 C ATOM 1441 O ILE A 93 -7.737 9.348 12.245 1.00 0.00 O ATOM 1442 CB ILE A 93 -5.150 8.359 10.170 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -5.280 7.400 8.985 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -3.702 8.448 10.629 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -6.357 7.798 8.001 1.00 0.00 C ATOM 0 H ILE A 93 -7.417 7.264 9.871 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.477 7.262 11.999 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.471 9.350 9.848 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.324 7.348 8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.494 6.399 9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.076 8.772 9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.622 9.166 11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.369 7.469 10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.392 7.073 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -7.322 7.822 8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.134 8.786 7.598 1.00 0.00 H new ATOM 1457 N ASP A 94 -5.589 9.923 12.585 1.00 0.00 N ATOM 1458 CA ASP A 94 -5.916 11.130 13.336 1.00 0.00 C ATOM 1459 C ASP A 94 -6.107 12.318 12.398 1.00 0.00 C ATOM 1460 O ASP A 94 -5.678 13.433 12.696 1.00 0.00 O ATOM 1461 CB ASP A 94 -4.816 11.438 14.352 1.00 0.00 C ATOM 1462 CG ASP A 94 -4.188 10.183 14.925 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -4.804 9.565 15.818 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -3.081 9.817 14.478 1.00 0.00 O ATOM 0 H ASP A 94 -4.589 9.754 12.473 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.851 10.955 13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.044 12.042 13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.232 12.035 15.163 1.00 0.00 H new ATOM 1469 N VAL A 95 -6.754 12.072 11.263 1.00 0.00 N ATOM 1470 CA VAL A 95 -7.002 13.121 10.282 1.00 0.00 C ATOM 1471 C VAL A 95 -7.876 14.225 10.866 1.00 0.00 C ATOM 1472 O VAL A 95 -7.848 15.365 10.402 1.00 0.00 O ATOM 1473 CB VAL A 95 -7.681 12.559 9.018 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -6.863 11.415 8.437 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -9.098 12.106 9.333 1.00 0.00 C ATOM 0 H VAL A 95 -7.116 11.155 11.001 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.031 13.535 10.011 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.735 13.351 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.358 11.030 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.869 11.776 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.776 10.618 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.563 11.712 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.070 11.328 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.678 12.953 9.700 1.00 0.00 H new ATOM 1485 N ASP A 96 -8.652 13.879 11.887 1.00 0.00 N ATOM 1486 CA ASP A 96 -9.534 14.841 12.538 1.00 0.00 C ATOM 1487 C ASP A 96 -8.731 15.971 13.175 1.00 0.00 C ATOM 1488 O ASP A 96 -9.082 17.143 13.045 1.00 0.00 O ATOM 1489 CB ASP A 96 -10.389 14.146 13.598 1.00 0.00 C ATOM 1490 CG ASP A 96 -9.640 13.037 14.311 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -8.725 13.352 15.100 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -9.967 11.855 14.078 1.00 0.00 O ATOM 0 H ASP A 96 -8.688 12.939 12.282 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.188 15.268 11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.725 14.882 14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.281 13.733 13.127 1.00 0.00 H new ATOM 1497 N GLU A 97 -7.653 15.609 13.863 1.00 0.00 N ATOM 1498 CA GLU A 97 -6.802 16.593 14.521 1.00 0.00 C ATOM 1499 C GLU A 97 -5.726 17.106 13.568 1.00 0.00 C ATOM 1500 O GLU A 97 -5.532 18.314 13.427 1.00 0.00 O ATOM 1501 CB GLU A 97 -6.149 15.985 15.764 1.00 0.00 C ATOM 1502 CG GLU A 97 -5.483 17.011 16.666 1.00 0.00 C ATOM 1503 CD GLU A 97 -4.900 16.393 17.922 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -5.555 15.505 18.506 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -3.787 16.798 18.319 1.00 0.00 O ATOM 0 H GLU A 97 -7.349 14.642 13.979 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.428 17.433 14.822 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.906 15.448 16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.406 15.252 15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.691 17.516 16.113 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.212 17.772 16.945 1.00 0.00 H new ATOM 1512 N ASP A 98 -5.030 16.181 12.917 1.00 0.00 N ATOM 1513 CA ASP A 98 -3.974 16.539 11.977 1.00 0.00 C ATOM 1514 C ASP A 98 -4.050 15.677 10.721 1.00 0.00 C ATOM 1515 O ASP A 98 -3.866 14.461 10.778 1.00 0.00 O ATOM 1516 CB ASP A 98 -2.602 16.384 12.635 1.00 0.00 C ATOM 1517 CG ASP A 98 -2.257 17.554 13.535 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -3.094 17.912 14.390 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -1.149 18.110 13.386 1.00 0.00 O ATOM 0 H ASP A 98 -5.178 15.177 13.023 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.115 17.581 11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.584 15.463 13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.840 16.287 11.862 1.00 0.00 H new ATOM 1524 N VAL A 99 -4.324 16.314 9.587 1.00 0.00 N ATOM 1525 CA VAL A 99 -4.424 15.606 8.317 1.00 0.00 C ATOM 1526 C VAL A 99 -3.576 16.279 7.244 1.00 0.00 C ATOM 1527 O VAL A 99 -3.068 15.621 6.336 1.00 0.00 O ATOM 1528 CB VAL A 99 -5.883 15.531 7.829 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -6.512 16.916 7.813 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -5.953 14.889 6.452 1.00 0.00 C ATOM 0 H VAL A 99 -4.481 17.320 9.522 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.053 14.595 8.489 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.448 14.909 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.543 16.844 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.497 17.334 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.948 17.564 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.991 14.845 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.374 15.482 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.544 13.880 6.500 1.00 0.00 H new ATOM 1540 N MET A 100 -3.425 17.595 7.355 1.00 0.00 N ATOM 1541 CA MET A 100 -2.636 18.357 6.395 1.00 0.00 C ATOM 1542 C MET A 100 -1.146 18.237 6.698 1.00 0.00 C ATOM 1543 O MET A 100 -0.754 17.644 7.703 1.00 0.00 O ATOM 1544 CB MET A 100 -3.054 19.829 6.412 1.00 0.00 C ATOM 1545 CG MET A 100 -2.705 20.544 7.707 1.00 0.00 C ATOM 1546 SD MET A 100 -3.562 22.121 7.882 1.00 0.00 S ATOM 1547 CE MET A 100 -4.524 21.821 9.363 1.00 0.00 C ATOM 0 H MET A 100 -3.839 18.155 8.100 1.00 0.00 H new ATOM 0 HA MET A 100 -2.822 17.945 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.573 20.345 5.581 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.130 19.895 6.248 1.00 0.00 H new ATOM 0 HG2 MET A 100 -2.957 19.902 8.551 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.629 20.713 7.745 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.110 22.708 9.602 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.194 20.977 9.197 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.854 21.595 10.192 1.00 0.00 H new ATOM 1557 N GLU A 101 -0.320 18.802 5.823 1.00 0.00 N ATOM 1558 CA GLU A 101 1.127 18.755 5.998 1.00 0.00 C ATOM 1559 C GLU A 101 1.798 19.933 5.296 1.00 0.00 C ATOM 1560 O GLU A 101 1.269 20.476 4.325 1.00 0.00 O ATOM 1561 CB GLU A 101 1.686 17.438 5.457 1.00 0.00 C ATOM 1562 CG GLU A 101 3.160 17.231 5.765 1.00 0.00 C ATOM 1563 CD GLU A 101 3.513 17.589 7.195 1.00 0.00 C ATOM 1564 OE1 GLU A 101 2.939 16.975 8.119 1.00 0.00 O ATOM 1565 OE2 GLU A 101 4.363 18.483 7.391 1.00 0.00 O ATOM 0 H GLU A 101 -0.628 19.297 4.986 1.00 0.00 H new ATOM 0 HA GLU A 101 1.341 18.820 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.116 16.610 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.541 17.408 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.423 16.190 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.758 17.837 5.084 1.00 0.00 H new ATOM 1572 N THR A 102 2.967 20.323 5.794 1.00 0.00 N ATOM 1573 CA THR A 102 3.710 21.436 5.218 1.00 0.00 C ATOM 1574 C THR A 102 5.032 20.964 4.621 1.00 0.00 C ATOM 1575 O THR A 102 5.454 19.829 4.842 1.00 0.00 O ATOM 1576 CB THR A 102 3.994 22.526 6.268 1.00 0.00 C ATOM 1577 OG1 THR A 102 4.688 21.961 7.386 1.00 0.00 O ATOM 1578 CG2 THR A 102 2.701 23.172 6.741 1.00 0.00 C ATOM 0 H THR A 102 3.420 19.884 6.596 1.00 0.00 H new ATOM 0 HA THR A 102 3.087 21.857 4.429 1.00 0.00 H new ATOM 0 HB THR A 102 4.616 23.292 5.805 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.866 22.661 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.927 23.939 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.190 23.627 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.058 22.414 7.188 1.00 0.00 H new ATOM 1586 N VAL A 103 5.681 21.843 3.865 1.00 0.00 N ATOM 1587 CA VAL A 103 6.957 21.517 3.238 1.00 0.00 C ATOM 1588 C VAL A 103 7.905 22.710 3.269 1.00 0.00 C ATOM 1589 O VAL A 103 7.539 23.818 2.877 1.00 0.00 O ATOM 1590 CB VAL A 103 6.765 21.065 1.778 1.00 0.00 C ATOM 1591 CG1 VAL A 103 5.988 22.111 0.993 1.00 0.00 C ATOM 1592 CG2 VAL A 103 8.111 20.788 1.125 1.00 0.00 C ATOM 0 H VAL A 103 5.345 22.786 3.672 1.00 0.00 H new ATOM 0 HA VAL A 103 7.391 20.697 3.810 1.00 0.00 H new ATOM 0 HB VAL A 103 6.188 20.140 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.862 21.774 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.009 22.256 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.535 23.054 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.957 20.470 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.715 21.695 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.627 20.000 1.674 1.00 0.00 H new ATOM 1602 N SER A 104 9.127 22.476 3.736 1.00 0.00 N ATOM 1603 CA SER A 104 10.129 23.532 3.821 1.00 0.00 C ATOM 1604 C SER A 104 11.473 22.971 4.274 1.00 0.00 C ATOM 1605 O SER A 104 11.603 22.460 5.385 1.00 0.00 O ATOM 1606 CB SER A 104 9.668 24.624 4.789 1.00 0.00 C ATOM 1607 OG SER A 104 8.879 25.595 4.123 1.00 0.00 O ATOM 0 H SER A 104 9.447 21.564 4.062 1.00 0.00 H new ATOM 0 HA SER A 104 10.251 23.964 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.093 24.177 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.536 25.104 5.241 1.00 0.00 H new ATOM 0 HG SER A 104 8.053 25.179 3.798 1.00 0.00 H new ATOM 1613 N GLY A 105 12.473 23.070 3.402 1.00 0.00 N ATOM 1614 CA GLY A 105 13.795 22.568 3.729 1.00 0.00 C ATOM 1615 C GLY A 105 14.713 23.654 4.254 1.00 0.00 C ATOM 1616 O GLY A 105 14.778 24.758 3.712 1.00 0.00 O ATOM 0 H GLY A 105 12.391 23.489 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.706 21.779 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.240 22.118 2.841 1.00 0.00 H new ATOM 1620 N PRO A 106 15.445 23.345 5.335 1.00 0.00 N ATOM 1621 CA PRO A 106 16.376 24.290 5.957 1.00 0.00 C ATOM 1622 C PRO A 106 17.599 24.557 5.086 1.00 0.00 C ATOM 1623 O PRO A 106 17.769 23.942 4.034 1.00 0.00 O ATOM 1624 CB PRO A 106 16.787 23.583 7.252 1.00 0.00 C ATOM 1625 CG PRO A 106 16.591 22.133 6.970 1.00 0.00 C ATOM 1626 CD PRO A 106 15.418 22.048 6.033 1.00 0.00 C ATOM 0 HA PRO A 106 15.920 25.267 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 106 17.824 23.800 7.510 1.00 0.00 H new ATOM 0 HB3 PRO A 106 16.175 23.909 8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.483 21.699 6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 106 16.397 21.579 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 106 15.519 21.215 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.482 21.901 6.573 1.00 0.00 H new ATOM 1634 N SER A 107 18.448 25.478 5.532 1.00 0.00 N ATOM 1635 CA SER A 107 19.653 25.829 4.791 1.00 0.00 C ATOM 1636 C SER A 107 20.837 26.016 5.735 1.00 0.00 C ATOM 1637 O SER A 107 20.682 25.980 6.956 1.00 0.00 O ATOM 1638 CB SER A 107 19.426 27.107 3.981 1.00 0.00 C ATOM 1639 OG SER A 107 20.294 27.163 2.863 1.00 0.00 O ATOM 0 H SER A 107 18.323 25.994 6.403 1.00 0.00 H new ATOM 0 HA SER A 107 19.880 25.010 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.390 27.148 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.589 27.978 4.616 1.00 0.00 H new ATOM 0 HG SER A 107 20.128 27.988 2.361 1.00 0.00 H new ATOM 1645 N SER A 108 22.019 26.215 5.161 1.00 0.00 N ATOM 1646 CA SER A 108 23.230 26.404 5.950 1.00 0.00 C ATOM 1647 C SER A 108 24.004 27.629 5.472 1.00 0.00 C ATOM 1648 O SER A 108 24.453 27.686 4.328 1.00 0.00 O ATOM 1649 CB SER A 108 24.118 25.161 5.866 1.00 0.00 C ATOM 1650 OG SER A 108 25.060 25.135 6.924 1.00 0.00 O ATOM 0 H SER A 108 22.164 26.249 4.152 1.00 0.00 H new ATOM 0 HA SER A 108 22.937 26.563 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.499 24.265 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 108 24.640 25.147 4.909 1.00 0.00 H new ATOM 0 HG SER A 108 25.614 24.330 6.849 1.00 0.00 H new ATOM 1656 N GLY A 109 24.156 28.608 6.359 1.00 0.00 N ATOM 1657 CA GLY A 109 24.876 29.819 6.010 1.00 0.00 C ATOM 1658 C GLY A 109 26.238 29.532 5.411 1.00 0.00 C ATOM 1659 O GLY A 109 26.755 30.321 4.620 1.00 0.00 O ATOM 0 H GLY A 109 23.794 28.584 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 109 24.285 30.397 5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 109 24.997 30.435 6.901 1.00 0.00 H new TER 1663 GLY A 109