USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 626 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 6 THR OG1 : rot 180:sc= -0.827 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.86 K(o=-11,f=-14!) USER MOD Set 1.3: A 77 GLN : amide:sc= -8.78! C(o=-11!,f=-7.6!) USER MOD Single : A 0 ALA N :NH3+ 178:sc= -0.149 (180deg=-0.167) USER MOD Single : A 1 SER OG : rot 180:sc= -0.7 USER MOD Single : A 5 ASN : amide:sc= -10.1! C(o=-10!,f=-2.5!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -20.6! C(o=-21!,f=-24!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.11) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.857 (180deg=-2.14!) USER MOD Single : A 28 THR OG1 : rot 94:sc= 0.0842 USER MOD Single : A 29 ASN : amide:sc= -5.89! C(o=-5.9!,f=-2.8!) USER MOD Single : A 39 MET CE :methyl -171:sc= -1.68 (180deg=-2.03) USER MOD Single : A 42 ASN : amide:sc= -6.61! K(o=-6.6!,f=-1.3) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -5.73! (180deg=-6.17!) USER MOD Single : A 58 ASN : amide:sc= -6.44! C(o=-6.4!,f=-9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 0 1.014 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 0 1.497 1.183 0.683 1.00 0.00 C ATOM 3 C ALA A 0 2.709 0.829 1.533 1.00 0.00 C ATOM 4 O ALA A 0 3.302 1.700 2.166 1.00 0.00 O ATOM 5 CB ALA A 0 0.381 1.761 1.548 1.00 0.00 C ATOM 0 H1 ALA A 0 0.166 0.240 -0.552 1.00 0.00 H new ATOM 0 H2 ALA A 0 1.753 -0.359 -0.638 1.00 0.00 H new ATOM 0 H3 ALA A 0 0.776 -0.732 0.700 1.00 0.00 H new ATOM 0 HA ALA A 0 1.797 1.933 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 0 0.743 2.651 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 0 -0.468 2.026 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 0 0.069 1.019 2.283 1.00 0.00 H new ATOM 13 N SER A 1 3.077 -0.454 1.545 1.00 0.00 N ATOM 14 CA SER A 1 4.214 -0.915 2.315 1.00 0.00 C ATOM 15 C SER A 1 3.846 -0.985 3.790 1.00 0.00 C ATOM 16 O SER A 1 2.932 -0.297 4.239 1.00 0.00 O ATOM 17 CB SER A 1 5.392 0.030 2.096 1.00 0.00 C ATOM 18 OG SER A 1 6.585 -0.717 2.010 1.00 0.00 O ATOM 0 H SER A 1 2.596 -1.188 1.025 1.00 0.00 H new ATOM 0 HA SER A 1 4.500 -1.914 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.245 0.606 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.456 0.744 2.917 1.00 0.00 H new ATOM 0 HG SER A 1 7.341 -0.110 1.868 1.00 0.00 H new ATOM 24 N PHE A 2 4.562 -1.822 4.545 1.00 0.00 N ATOM 25 CA PHE A 2 4.308 -1.976 5.963 1.00 0.00 C ATOM 26 C PHE A 2 5.407 -1.291 6.763 1.00 0.00 C ATOM 27 O PHE A 2 5.622 -1.612 7.930 1.00 0.00 O ATOM 28 CB PHE A 2 4.234 -3.461 6.307 1.00 0.00 C ATOM 29 CG PHE A 2 2.876 -3.899 6.800 1.00 0.00 C ATOM 30 CD1 PHE A 2 2.509 -3.676 8.133 1.00 0.00 C ATOM 31 CD2 PHE A 2 1.984 -4.532 5.926 1.00 0.00 C ATOM 32 CE1 PHE A 2 1.251 -4.084 8.591 1.00 0.00 C ATOM 33 CE2 PHE A 2 0.725 -4.940 6.384 1.00 0.00 C ATOM 34 CZ PHE A 2 0.359 -4.716 7.716 1.00 0.00 C ATOM 0 H PHE A 2 5.322 -2.401 4.188 1.00 0.00 H new ATOM 0 HA PHE A 2 3.357 -1.509 6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.496 -4.044 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.979 -3.686 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.197 -3.189 8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.267 -4.706 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.968 -3.911 9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.037 -5.427 5.709 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.612 -5.031 8.069 1.00 0.00 H new ATOM 44 N ILE A 3 6.103 -0.343 6.131 1.00 0.00 N ATOM 45 CA ILE A 3 7.174 0.384 6.783 1.00 0.00 C ATOM 46 C ILE A 3 6.632 1.678 7.374 1.00 0.00 C ATOM 47 O ILE A 3 5.631 1.666 8.087 1.00 0.00 O ATOM 48 CB ILE A 3 8.281 0.672 5.773 1.00 0.00 C ATOM 49 CG1 ILE A 3 7.668 0.891 4.393 1.00 0.00 C ATOM 50 CG2 ILE A 3 9.241 -0.514 5.720 1.00 0.00 C ATOM 51 CD1 ILE A 3 6.790 2.139 4.420 1.00 0.00 C ATOM 0 H ILE A 3 5.936 -0.066 5.164 1.00 0.00 H new ATOM 0 HA ILE A 3 7.588 -0.217 7.593 1.00 0.00 H new ATOM 0 HB ILE A 3 8.824 1.568 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.455 1.003 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.076 0.023 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.032 -0.310 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.680 -0.671 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.697 -1.409 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.351 2.297 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.995 2.009 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.396 3.004 4.690 1.00 0.00 H new ATOM 63 N ASP A 4 7.295 2.798 7.075 1.00 0.00 N ATOM 64 CA ASP A 4 6.878 4.091 7.577 1.00 0.00 C ATOM 65 C ASP A 4 7.780 5.179 7.011 1.00 0.00 C ATOM 66 O ASP A 4 8.036 5.212 5.810 1.00 0.00 O ATOM 67 CB ASP A 4 6.930 4.084 9.102 1.00 0.00 C ATOM 68 CG ASP A 4 7.693 2.871 9.615 1.00 0.00 C ATOM 69 OD1 ASP A 4 8.914 2.817 9.354 1.00 0.00 O ATOM 70 OD2 ASP A 4 7.041 2.020 10.258 1.00 0.00 O ATOM 0 H ASP A 4 8.126 2.825 6.484 1.00 0.00 H new ATOM 0 HA ASP A 4 5.855 4.295 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.409 4.996 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.917 4.078 9.504 1.00 0.00 H new ATOM 75 N ASN A 5 8.262 6.070 7.881 1.00 0.00 N ATOM 76 CA ASN A 5 9.131 7.151 7.463 1.00 0.00 C ATOM 77 C ASN A 5 10.365 6.587 6.772 1.00 0.00 C ATOM 78 O ASN A 5 11.470 7.093 6.954 1.00 0.00 O ATOM 79 CB ASN A 5 9.526 7.984 8.679 1.00 0.00 C ATOM 80 CG ASN A 5 8.310 8.303 9.537 1.00 0.00 C ATOM 81 OD1 ASN A 5 8.416 9.031 10.521 1.00 0.00 O ATOM 82 ND2 ASN A 5 7.151 7.757 9.160 1.00 0.00 N ATOM 0 H ASN A 5 8.059 6.056 8.881 1.00 0.00 H new ATOM 0 HA ASN A 5 8.605 7.791 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.263 7.442 9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.999 8.910 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.303 7.938 9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.114 7.159 8.335 1.00 0.00 H new ATOM 89 N THR A 6 10.173 5.533 5.975 1.00 0.00 N ATOM 90 CA THR A 6 11.269 4.909 5.262 1.00 0.00 C ATOM 91 C THR A 6 11.901 5.908 4.304 1.00 0.00 C ATOM 92 O THR A 6 11.725 5.809 3.092 1.00 0.00 O ATOM 93 CB THR A 6 10.752 3.688 4.506 1.00 0.00 C ATOM 94 OG1 THR A 6 11.824 3.064 3.834 1.00 0.00 O ATOM 95 CG2 THR A 6 9.701 4.126 3.490 1.00 0.00 C ATOM 0 H THR A 6 9.264 5.100 5.813 1.00 0.00 H new ATOM 0 HA THR A 6 12.031 4.587 5.971 1.00 0.00 H new ATOM 0 HB THR A 6 10.306 2.986 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.494 2.279 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.332 3.254 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.873 4.609 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.147 4.828 2.785 1.00 0.00 H new ATOM 103 N CYS A 7 12.641 6.875 4.854 1.00 0.00 N ATOM 104 CA CYS A 7 13.296 7.887 4.051 1.00 0.00 C ATOM 105 C CYS A 7 14.794 7.619 4.007 1.00 0.00 C ATOM 106 O CYS A 7 15.461 7.645 5.038 1.00 0.00 O ATOM 107 CB CYS A 7 13.010 9.266 4.639 1.00 0.00 C ATOM 108 SG CYS A 7 11.256 9.712 4.649 1.00 0.00 S ATOM 0 H CYS A 7 12.796 6.970 5.858 1.00 0.00 H new ATOM 0 HA CYS A 7 12.911 7.855 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 7 13.389 9.300 5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.561 10.014 4.069 1.00 0.00 H new ATOM 113 N ARG A 8 15.321 7.362 2.808 1.00 0.00 N ATOM 114 CA ARG A 8 16.734 7.090 2.636 1.00 0.00 C ATOM 115 C ARG A 8 17.396 8.249 1.904 1.00 0.00 C ATOM 116 O ARG A 8 18.580 8.187 1.580 1.00 0.00 O ATOM 117 CB ARG A 8 16.909 5.789 1.857 1.00 0.00 C ATOM 118 CG ARG A 8 17.815 4.845 2.643 1.00 0.00 C ATOM 119 CD ARG A 8 19.274 5.149 2.315 1.00 0.00 C ATOM 120 NE ARG A 8 20.166 4.604 3.338 1.00 0.00 N ATOM 121 CZ ARG A 8 21.374 5.122 3.598 1.00 0.00 C ATOM 122 NH1 ARG A 8 21.810 6.186 2.909 1.00 0.00 N ATOM 123 NH2 ARG A 8 22.147 4.577 4.547 1.00 0.00 N ATOM 0 H ARG A 8 14.781 7.338 1.943 1.00 0.00 H new ATOM 0 HA ARG A 8 17.209 6.982 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.939 5.322 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 8 17.341 5.994 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 8 17.640 4.962 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.583 3.810 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.528 4.726 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.417 6.227 2.240 1.00 0.00 H new ATOM 0 HE ARG A 8 19.855 3.795 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 8 21.222 6.602 2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.730 6.580 3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 8 21.816 3.767 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 8 23.067 4.972 4.745 1.00 0.00 H new ATOM 137 N GLY A 9 16.629 9.310 1.646 1.00 0.00 N ATOM 138 CA GLY A 9 17.148 10.474 0.955 1.00 0.00 C ATOM 139 C GLY A 9 16.999 11.714 1.826 1.00 0.00 C ATOM 140 O GLY A 9 17.663 12.722 1.596 1.00 0.00 O ATOM 0 H GLY A 9 15.646 9.379 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.198 10.320 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.615 10.615 0.015 1.00 0.00 H new ATOM 144 N VAL A 10 16.123 11.636 2.830 1.00 0.00 N ATOM 145 CA VAL A 10 15.889 12.747 3.730 1.00 0.00 C ATOM 146 C VAL A 10 17.220 13.310 4.209 1.00 0.00 C ATOM 147 O VAL A 10 17.325 14.499 4.501 1.00 0.00 O ATOM 148 CB VAL A 10 15.044 12.276 4.911 1.00 0.00 C ATOM 149 CG1 VAL A 10 15.748 11.117 5.610 1.00 0.00 C ATOM 150 CG2 VAL A 10 14.860 13.427 5.895 1.00 0.00 C ATOM 0 H VAL A 10 15.565 10.807 3.034 1.00 0.00 H new ATOM 0 HA VAL A 10 15.349 13.537 3.207 1.00 0.00 H new ATOM 0 HB VAL A 10 14.069 11.945 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.145 10.780 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.880 10.294 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.723 11.447 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.257 13.092 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.834 13.758 6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.357 14.255 5.396 1.00 0.00 H new ATOM 160 N MET A 11 18.238 12.451 4.290 1.00 0.00 N ATOM 161 CA MET A 11 19.553 12.868 4.734 1.00 0.00 C ATOM 162 C MET A 11 20.120 13.904 3.775 1.00 0.00 C ATOM 163 O MET A 11 20.845 14.807 4.186 1.00 0.00 O ATOM 164 CB MET A 11 20.470 11.651 4.817 1.00 0.00 C ATOM 165 CG MET A 11 20.554 10.983 3.447 1.00 0.00 C ATOM 166 SD MET A 11 22.140 10.174 3.119 1.00 0.00 S ATOM 167 CE MET A 11 22.983 11.526 2.262 1.00 0.00 C ATOM 0 H MET A 11 18.168 11.462 4.051 1.00 0.00 H new ATOM 0 HA MET A 11 19.479 13.321 5.723 1.00 0.00 H new ATOM 0 HB2 MET A 11 21.464 11.953 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 11 20.089 10.945 5.555 1.00 0.00 H new ATOM 0 HG2 MET A 11 19.757 10.244 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 11 20.374 11.733 2.677 1.00 0.00 H new ATOM 0 HE1 MET A 11 23.987 11.208 1.980 1.00 0.00 H new ATOM 0 HE2 MET A 11 22.422 11.795 1.367 1.00 0.00 H new ATOM 0 HE3 MET A 11 23.048 12.391 2.922 1.00 0.00 H new ATOM 177 N GLY A 12 19.785 13.773 2.489 1.00 0.00 N ATOM 178 CA GLY A 12 20.262 14.698 1.480 1.00 0.00 C ATOM 179 C GLY A 12 19.287 15.856 1.323 1.00 0.00 C ATOM 180 O GLY A 12 19.680 17.018 1.394 1.00 0.00 O ATOM 0 H GLY A 12 19.184 13.031 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.245 15.077 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.379 14.180 0.528 1.00 0.00 H new ATOM 184 N ASN A 13 18.009 15.535 1.109 1.00 0.00 N ATOM 185 CA ASN A 13 16.985 16.547 0.944 1.00 0.00 C ATOM 186 C ASN A 13 17.168 17.644 1.982 1.00 0.00 C ATOM 187 O ASN A 13 17.482 18.782 1.639 1.00 0.00 O ATOM 188 CB ASN A 13 15.609 15.902 1.076 1.00 0.00 C ATOM 189 CG ASN A 13 15.387 14.865 -0.016 1.00 0.00 C ATOM 190 OD1 ASN A 13 14.921 15.198 -1.103 1.00 0.00 O ATOM 191 ND2 ASN A 13 15.723 13.607 0.275 1.00 0.00 N ATOM 0 H ASN A 13 17.666 14.576 1.047 1.00 0.00 H new ATOM 0 HA ASN A 13 17.069 16.996 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.516 15.431 2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.837 16.669 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.596 12.871 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.107 13.381 1.193 1.00 0.00 H new ATOM 198 N ARG A 14 16.972 17.299 3.256 1.00 0.00 N ATOM 199 CA ARG A 14 17.114 18.252 4.338 1.00 0.00 C ATOM 200 C ARG A 14 16.476 19.577 3.945 1.00 0.00 C ATOM 201 O ARG A 14 16.811 20.620 4.502 1.00 0.00 O ATOM 202 CB ARG A 14 18.595 18.440 4.657 1.00 0.00 C ATOM 203 CG ARG A 14 19.085 17.269 5.503 1.00 0.00 C ATOM 204 CD ARG A 14 20.542 17.499 5.895 1.00 0.00 C ATOM 205 NE ARG A 14 20.637 18.323 7.100 1.00 0.00 N ATOM 206 CZ ARG A 14 21.585 19.256 7.269 1.00 0.00 C ATOM 207 NH1 ARG A 14 22.497 19.465 6.309 1.00 0.00 N ATOM 208 NH2 ARG A 14 21.621 19.979 8.396 1.00 0.00 N ATOM 0 H ARG A 14 16.713 16.359 3.556 1.00 0.00 H new ATOM 0 HA ARG A 14 16.608 17.877 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.172 18.502 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.747 19.378 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.468 17.169 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.990 16.338 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 14 21.032 16.540 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 14 21.071 17.985 5.075 1.00 0.00 H new ATOM 0 HE ARG A 14 19.953 18.182 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.469 18.914 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.218 20.175 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 14 20.927 19.820 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.342 20.689 8.524 1.00 0.00 H new ATOM 222 N ASP A 15 15.551 19.533 2.983 1.00 0.00 N ATOM 223 CA ASP A 15 14.872 20.727 2.522 1.00 0.00 C ATOM 224 C ASP A 15 13.388 20.439 2.344 1.00 0.00 C ATOM 225 O ASP A 15 12.548 21.264 2.695 1.00 0.00 O ATOM 226 CB ASP A 15 15.494 21.189 1.207 1.00 0.00 C ATOM 227 CG ASP A 15 15.502 22.709 1.114 1.00 0.00 C ATOM 228 OD1 ASP A 15 14.392 23.283 1.115 1.00 0.00 O ATOM 229 OD2 ASP A 15 16.618 23.267 1.043 1.00 0.00 O ATOM 0 H ASP A 15 15.261 18.676 2.512 1.00 0.00 H new ATOM 0 HA ASP A 15 14.982 21.521 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.513 20.811 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.935 20.772 0.369 1.00 0.00 H new ATOM 234 N ILE A 16 13.067 19.264 1.797 1.00 0.00 N ATOM 235 CA ILE A 16 11.690 18.871 1.577 1.00 0.00 C ATOM 236 C ILE A 16 11.089 18.351 2.875 1.00 0.00 C ATOM 237 O ILE A 16 9.936 18.641 3.188 1.00 0.00 O ATOM 238 CB ILE A 16 11.633 17.804 0.487 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.620 18.156 -0.622 1.00 0.00 C ATOM 240 CG2 ILE A 16 10.222 17.741 -0.089 1.00 0.00 C ATOM 241 CD1 ILE A 16 12.562 17.090 -1.712 1.00 0.00 C ATOM 0 H ILE A 16 13.753 18.570 1.500 1.00 0.00 H new ATOM 0 HA ILE A 16 11.109 19.734 1.251 1.00 0.00 H new ATOM 0 HB ILE A 16 11.896 16.835 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.379 19.133 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.630 18.223 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.180 16.979 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.517 17.489 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.959 18.709 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.267 17.341 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.824 16.121 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.554 17.045 -2.124 1.00 0.00 H new ATOM 253 N TYR A 17 11.873 17.579 3.631 1.00 0.00 N ATOM 254 CA TYR A 17 11.414 17.023 4.887 1.00 0.00 C ATOM 255 C TYR A 17 10.930 18.140 5.801 1.00 0.00 C ATOM 256 O TYR A 17 10.066 17.924 6.647 1.00 0.00 O ATOM 257 CB TYR A 17 12.550 16.242 5.542 1.00 0.00 C ATOM 258 CG TYR A 17 12.076 15.211 6.539 1.00 0.00 C ATOM 259 CD1 TYR A 17 11.755 15.597 7.846 1.00 0.00 C ATOM 260 CD2 TYR A 17 11.958 13.870 6.156 1.00 0.00 C ATOM 261 CE1 TYR A 17 11.317 14.641 8.770 1.00 0.00 C ATOM 262 CE2 TYR A 17 11.520 12.914 7.080 1.00 0.00 C ATOM 263 CZ TYR A 17 11.199 13.299 8.387 1.00 0.00 C ATOM 264 OH TYR A 17 10.773 12.368 9.287 1.00 0.00 O ATOM 0 H TYR A 17 12.831 17.329 3.386 1.00 0.00 H new ATOM 0 HA TYR A 17 10.581 16.344 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.133 15.745 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.219 16.941 6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.845 16.632 8.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.205 13.573 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.070 14.938 9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.430 11.879 6.784 1.00 0.00 H new ATOM 0 HH TYR A 17 10.747 11.487 8.859 1.00 0.00 H new ATOM 274 N LYS A 18 11.492 19.339 5.627 1.00 0.00 N ATOM 275 CA LYS A 18 11.116 20.482 6.435 1.00 0.00 C ATOM 276 C LYS A 18 9.919 21.186 5.810 1.00 0.00 C ATOM 277 O LYS A 18 8.951 21.502 6.498 1.00 0.00 O ATOM 278 CB LYS A 18 12.303 21.434 6.551 1.00 0.00 C ATOM 279 CG LYS A 18 13.392 20.786 7.402 1.00 0.00 C ATOM 280 CD LYS A 18 14.685 20.702 6.596 1.00 0.00 C ATOM 281 CE LYS A 18 15.879 20.884 7.529 1.00 0.00 C ATOM 282 NZ LYS A 18 16.847 21.838 6.967 1.00 0.00 N ATOM 0 H LYS A 18 12.210 19.535 4.930 1.00 0.00 H new ATOM 0 HA LYS A 18 10.835 20.149 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.692 21.670 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.986 22.375 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.554 21.368 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.080 19.789 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.749 19.739 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.694 21.470 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.535 21.239 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.365 19.923 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.739 21.781 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.024 21.606 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.464 22.802 7.036 1.00 0.00 H new ATOM 296 N LYS A 19 9.989 21.433 4.500 1.00 0.00 N ATOM 297 CA LYS A 19 8.914 22.097 3.790 1.00 0.00 C ATOM 298 C LYS A 19 7.647 21.258 3.866 1.00 0.00 C ATOM 299 O LYS A 19 6.544 21.797 3.923 1.00 0.00 O ATOM 300 CB LYS A 19 9.327 22.322 2.339 1.00 0.00 C ATOM 301 CG LYS A 19 8.140 22.870 1.552 1.00 0.00 C ATOM 302 CD LYS A 19 7.697 21.841 0.515 1.00 0.00 C ATOM 303 CE LYS A 19 6.951 20.707 1.212 1.00 0.00 C ATOM 304 NZ LYS A 19 5.649 21.165 1.721 1.00 0.00 N ATOM 0 H LYS A 19 10.785 21.179 3.915 1.00 0.00 H new ATOM 0 HA LYS A 19 8.712 23.064 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.162 23.021 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.669 21.386 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.316 23.098 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.416 23.802 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.053 22.312 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.564 21.448 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.803 19.882 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.553 20.324 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.030 20.344 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.786 21.672 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.210 21.802 1.027 1.00 0.00 H new ATOM 318 N VAL A 20 7.807 19.932 3.867 1.00 0.00 N ATOM 319 CA VAL A 20 6.679 19.025 3.935 1.00 0.00 C ATOM 320 C VAL A 20 6.079 19.055 5.334 1.00 0.00 C ATOM 321 O VAL A 20 4.964 19.536 5.523 1.00 0.00 O ATOM 322 CB VAL A 20 7.139 17.616 3.574 1.00 0.00 C ATOM 323 CG1 VAL A 20 7.727 17.618 2.166 1.00 0.00 C ATOM 324 CG2 VAL A 20 8.201 17.156 4.568 1.00 0.00 C ATOM 0 H VAL A 20 8.715 19.470 3.821 1.00 0.00 H new ATOM 0 HA VAL A 20 5.912 19.336 3.225 1.00 0.00 H new ATOM 0 HB VAL A 20 6.288 16.936 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.056 16.611 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.968 17.946 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.578 18.299 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.529 16.149 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.052 17.836 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.781 17.154 5.574 1.00 0.00 H new ATOM 334 N VAL A 21 6.823 18.539 6.315 1.00 0.00 N ATOM 335 CA VAL A 21 6.362 18.509 7.689 1.00 0.00 C ATOM 336 C VAL A 21 5.653 19.814 8.023 1.00 0.00 C ATOM 337 O VAL A 21 4.817 19.855 8.922 1.00 0.00 O ATOM 338 CB VAL A 21 7.551 18.286 8.619 1.00 0.00 C ATOM 339 CG1 VAL A 21 8.538 19.440 8.468 1.00 0.00 C ATOM 340 CG2 VAL A 21 7.062 18.220 10.063 1.00 0.00 C ATOM 0 H VAL A 21 7.750 18.137 6.174 1.00 0.00 H new ATOM 0 HA VAL A 21 5.655 17.690 7.822 1.00 0.00 H new ATOM 0 HB VAL A 21 8.045 17.349 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.388 19.281 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.887 19.487 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.045 20.377 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.911 18.061 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.568 19.156 10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.357 17.396 10.171 1.00 0.00 H new ATOM 350 N ARG A 22 5.989 20.881 7.294 1.00 0.00 N ATOM 351 CA ARG A 22 5.386 22.179 7.516 1.00 0.00 C ATOM 352 C ARG A 22 3.991 22.210 6.909 1.00 0.00 C ATOM 353 O ARG A 22 3.045 22.672 7.543 1.00 0.00 O ATOM 354 CB ARG A 22 6.268 23.261 6.899 1.00 0.00 C ATOM 355 CG ARG A 22 5.734 24.636 7.290 1.00 0.00 C ATOM 356 CD ARG A 22 6.201 24.981 8.701 1.00 0.00 C ATOM 357 NE ARG A 22 6.793 26.319 8.746 1.00 0.00 N ATOM 358 CZ ARG A 22 7.771 26.651 9.599 1.00 0.00 C ATOM 359 NH1 ARG A 22 8.249 25.740 10.458 1.00 0.00 N ATOM 360 NH2 ARG A 22 8.272 27.894 9.593 1.00 0.00 N ATOM 0 H ARG A 22 6.680 20.862 6.544 1.00 0.00 H new ATOM 0 HA ARG A 22 5.299 22.366 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.296 23.147 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.282 23.159 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.086 25.389 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.645 24.641 7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.358 24.929 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.932 24.245 9.036 1.00 0.00 H new ATOM 0 HE ARG A 22 6.446 27.029 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.868 24.794 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.994 25.993 11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.909 28.587 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.017 28.147 10.243 1.00 0.00 H new ATOM 374 N VAL A 23 3.864 21.715 5.675 1.00 0.00 N ATOM 375 CA VAL A 23 2.588 21.688 4.989 1.00 0.00 C ATOM 376 C VAL A 23 1.637 20.742 5.708 1.00 0.00 C ATOM 377 O VAL A 23 0.421 20.893 5.616 1.00 0.00 O ATOM 378 CB VAL A 23 2.799 21.248 3.543 1.00 0.00 C ATOM 379 CG1 VAL A 23 3.037 19.742 3.499 1.00 0.00 C ATOM 380 CG2 VAL A 23 1.559 21.592 2.722 1.00 0.00 C ATOM 0 H VAL A 23 4.639 21.328 5.136 1.00 0.00 H new ATOM 0 HA VAL A 23 2.147 22.685 4.991 1.00 0.00 H new ATOM 0 HB VAL A 23 3.665 21.764 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.188 19.427 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.922 19.496 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.172 19.225 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.708 21.278 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.693 21.076 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.389 22.668 2.753 1.00 0.00 H new ATOM 390 N CYS A 24 2.195 19.764 6.426 1.00 0.00 N ATOM 391 CA CYS A 24 1.397 18.800 7.156 1.00 0.00 C ATOM 392 C CYS A 24 0.707 19.485 8.327 1.00 0.00 C ATOM 393 O CYS A 24 -0.512 19.410 8.464 1.00 0.00 O ATOM 394 CB CYS A 24 2.292 17.665 7.644 1.00 0.00 C ATOM 395 SG CYS A 24 3.084 16.729 6.312 1.00 0.00 S ATOM 0 H CYS A 24 3.202 19.626 6.512 1.00 0.00 H new ATOM 0 HA CYS A 24 0.631 18.384 6.501 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.064 18.078 8.293 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.697 16.982 8.251 1.00 0.00 H new ATOM 400 N GLU A 25 1.492 20.155 9.175 1.00 0.00 N ATOM 401 CA GLU A 25 0.951 20.848 10.328 1.00 0.00 C ATOM 402 C GLU A 25 -0.232 21.708 9.908 1.00 0.00 C ATOM 403 O GLU A 25 -1.307 21.621 10.497 1.00 0.00 O ATOM 404 CB GLU A 25 2.044 21.704 10.963 1.00 0.00 C ATOM 405 CG GLU A 25 3.155 20.801 11.490 1.00 0.00 C ATOM 406 CD GLU A 25 2.891 20.400 12.934 1.00 0.00 C ATOM 407 OE1 GLU A 25 2.798 21.324 13.771 1.00 0.00 O ATOM 408 OE2 GLU A 25 2.787 19.178 13.174 1.00 0.00 O ATOM 0 H GLU A 25 2.505 20.227 9.077 1.00 0.00 H new ATOM 0 HA GLU A 25 0.602 20.122 11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.446 22.403 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.628 22.299 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.229 19.909 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.112 21.318 11.421 1.00 0.00 H new ATOM 415 N ASP A 26 -0.031 22.541 8.885 1.00 0.00 N ATOM 416 CA ASP A 26 -1.079 23.412 8.391 1.00 0.00 C ATOM 417 C ASP A 26 -2.363 22.617 8.202 1.00 0.00 C ATOM 418 O ASP A 26 -3.333 22.818 8.930 1.00 0.00 O ATOM 419 CB ASP A 26 -0.635 24.045 7.075 1.00 0.00 C ATOM 420 CG ASP A 26 -0.125 25.462 7.298 1.00 0.00 C ATOM 421 OD1 ASP A 26 -0.929 26.284 7.788 1.00 0.00 O ATOM 422 OD2 ASP A 26 1.059 25.695 6.975 1.00 0.00 O ATOM 0 H ASP A 26 0.855 22.625 8.386 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.270 24.205 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.150 23.439 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.470 24.061 6.375 1.00 0.00 H new ATOM 427 N CYS A 27 -2.368 21.712 7.220 1.00 0.00 N ATOM 428 CA CYS A 27 -3.530 20.893 6.940 1.00 0.00 C ATOM 429 C CYS A 27 -4.082 20.322 8.239 1.00 0.00 C ATOM 430 O CYS A 27 -5.282 20.397 8.492 1.00 0.00 O ATOM 431 CB CYS A 27 -3.143 19.774 5.978 1.00 0.00 C ATOM 432 SG CYS A 27 -2.495 18.294 6.795 1.00 0.00 S ATOM 0 H CYS A 27 -1.572 21.534 6.608 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.306 21.501 6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.017 19.498 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.393 20.150 5.282 1.00 0.00 H new ATOM 437 N THR A 28 -3.201 19.749 9.063 1.00 0.00 N ATOM 438 CA THR A 28 -3.607 19.171 10.328 1.00 0.00 C ATOM 439 C THR A 28 -4.489 20.151 11.087 1.00 0.00 C ATOM 440 O THR A 28 -5.312 19.748 11.906 1.00 0.00 O ATOM 441 CB THR A 28 -2.368 18.814 11.143 1.00 0.00 C ATOM 442 OG1 THR A 28 -1.518 17.993 10.373 1.00 0.00 O ATOM 443 CG2 THR A 28 -2.787 18.067 12.406 1.00 0.00 C ATOM 0 H THR A 28 -2.202 19.677 8.868 1.00 0.00 H new ATOM 0 HA THR A 28 -4.182 18.263 10.148 1.00 0.00 H new ATOM 0 HB THR A 28 -1.840 19.727 11.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.847 18.548 9.923 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.902 17.812 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.444 18.700 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.315 17.154 12.131 1.00 0.00 H new ATOM 451 N ASN A 29 -4.313 21.446 10.813 1.00 0.00 N ATOM 452 CA ASN A 29 -5.092 22.477 11.469 1.00 0.00 C ATOM 453 C ASN A 29 -6.451 22.608 10.797 1.00 0.00 C ATOM 454 O ASN A 29 -7.461 22.818 11.466 1.00 0.00 O ATOM 455 CB ASN A 29 -4.332 23.799 11.414 1.00 0.00 C ATOM 456 CG ASN A 29 -2.891 23.617 11.867 1.00 0.00 C ATOM 457 OD1 ASN A 29 -2.638 23.024 12.914 1.00 0.00 O ATOM 458 ND2 ASN A 29 -1.945 24.127 11.076 1.00 0.00 N ATOM 0 H ASN A 29 -3.634 21.797 10.138 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.252 22.207 12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.351 24.192 10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.827 24.534 12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.962 24.033 11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.205 24.611 10.217 1.00 0.00 H new ATOM 465 N ILE A 30 -6.474 22.482 9.468 1.00 0.00 N ATOM 466 CA ILE A 30 -7.704 22.584 8.709 1.00 0.00 C ATOM 467 C ILE A 30 -8.736 21.616 9.270 1.00 0.00 C ATOM 468 O ILE A 30 -9.856 22.013 9.586 1.00 0.00 O ATOM 469 CB ILE A 30 -7.422 22.284 7.240 1.00 0.00 C ATOM 470 CG1 ILE A 30 -6.903 23.544 6.553 1.00 0.00 C ATOM 471 CG2 ILE A 30 -8.708 21.826 6.558 1.00 0.00 C ATOM 472 CD1 ILE A 30 -5.588 23.971 7.200 1.00 0.00 C ATOM 0 H ILE A 30 -5.645 22.308 8.900 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.102 23.595 8.788 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.672 21.496 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.753 23.356 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.638 24.345 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.507 21.612 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.079 20.926 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.458 22.613 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.217 24.871 6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.753 24.176 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.854 23.172 7.095 1.00 0.00 H new ATOM 484 N PHE A 31 -8.358 20.341 9.393 1.00 0.00 N ATOM 485 CA PHE A 31 -9.251 19.327 9.914 1.00 0.00 C ATOM 486 C PHE A 31 -9.105 19.236 11.426 1.00 0.00 C ATOM 487 O PHE A 31 -9.980 18.707 12.107 1.00 0.00 O ATOM 488 CB PHE A 31 -8.934 17.986 9.258 1.00 0.00 C ATOM 489 CG PHE A 31 -8.542 18.103 7.805 1.00 0.00 C ATOM 490 CD1 PHE A 31 -7.201 18.298 7.455 1.00 0.00 C ATOM 491 CD2 PHE A 31 -9.521 18.015 6.807 1.00 0.00 C ATOM 492 CE1 PHE A 31 -6.838 18.405 6.107 1.00 0.00 C ATOM 493 CE2 PHE A 31 -9.158 18.122 5.459 1.00 0.00 C ATOM 494 CZ PHE A 31 -7.816 18.317 5.109 1.00 0.00 C ATOM 0 H PHE A 31 -7.434 19.995 9.135 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.283 19.594 9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.124 17.505 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.805 17.336 9.340 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.446 18.366 8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.556 17.865 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.803 18.555 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.913 18.054 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.536 18.399 4.069 1.00 0.00 H new ATOM 504 N ARG A 32 -7.992 19.755 11.951 1.00 0.00 N ATOM 505 CA ARG A 32 -7.735 19.731 13.377 1.00 0.00 C ATOM 506 C ARG A 32 -7.364 18.319 13.809 1.00 0.00 C ATOM 507 O ARG A 32 -6.607 18.138 14.761 1.00 0.00 O ATOM 508 CB ARG A 32 -8.973 20.217 14.125 1.00 0.00 C ATOM 509 CG ARG A 32 -8.633 21.484 14.903 1.00 0.00 C ATOM 510 CD ARG A 32 -8.286 21.118 16.344 1.00 0.00 C ATOM 511 NE ARG A 32 -9.201 21.765 17.285 1.00 0.00 N ATOM 512 CZ ARG A 32 -8.875 22.869 17.970 1.00 0.00 C ATOM 513 NH1 ARG A 32 -7.668 23.428 17.807 1.00 0.00 N ATOM 514 NH2 ARG A 32 -9.756 23.416 18.819 1.00 0.00 N ATOM 0 H ARG A 32 -7.257 20.197 11.399 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.902 20.393 13.612 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.781 20.416 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.326 19.443 14.806 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.793 21.997 14.434 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.478 22.173 14.885 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.334 20.036 16.470 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.261 21.419 16.563 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.126 21.358 17.425 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.997 23.013 17.161 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.421 24.269 18.329 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.675 22.992 18.944 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.507 24.257 19.340 1.00 0.00 H new ATOM 528 N LEU A 33 -7.899 17.318 13.107 1.00 0.00 N ATOM 529 CA LEU A 33 -7.623 15.930 13.419 1.00 0.00 C ATOM 530 C LEU A 33 -6.144 15.757 13.736 1.00 0.00 C ATOM 531 O LEU A 33 -5.288 16.123 12.934 1.00 0.00 O ATOM 532 CB LEU A 33 -8.029 15.053 12.239 1.00 0.00 C ATOM 533 CG LEU A 33 -9.546 14.890 12.225 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.183 16.112 11.570 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.917 13.638 11.435 1.00 0.00 C ATOM 0 H LEU A 33 -8.528 17.453 12.316 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.200 15.629 14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.692 15.503 11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.548 14.078 12.315 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.910 14.795 13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.267 15.996 11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.919 17.006 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.819 16.208 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.001 13.522 11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.553 13.732 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.463 12.765 11.903 1.00 0.00 H new ATOM 547 N PRO A 34 -5.846 15.196 14.910 1.00 0.00 N ATOM 548 CA PRO A 34 -4.499 14.951 15.378 1.00 0.00 C ATOM 549 C PRO A 34 -3.887 13.800 14.593 1.00 0.00 C ATOM 550 O PRO A 34 -2.677 13.765 14.377 1.00 0.00 O ATOM 551 CB PRO A 34 -4.657 14.585 16.852 1.00 0.00 C ATOM 552 CG PRO A 34 -6.038 13.931 16.892 1.00 0.00 C ATOM 553 CD PRO A 34 -6.827 14.754 15.877 1.00 0.00 C ATOM 0 HA PRO A 34 -3.842 15.811 15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.876 13.902 17.185 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.607 15.464 17.495 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.996 12.878 16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.481 13.981 17.887 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.606 14.156 15.404 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.321 15.601 16.354 1.00 0.00 H new ATOM 561 N GLY A 35 -4.727 12.854 14.166 1.00 0.00 N ATOM 562 CA GLY A 35 -4.261 11.708 13.410 1.00 0.00 C ATOM 563 C GLY A 35 -4.246 12.029 11.922 1.00 0.00 C ATOM 564 O GLY A 35 -4.863 11.325 11.125 1.00 0.00 O ATOM 0 H GLY A 35 -5.733 12.867 14.335 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.260 11.429 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.909 10.852 13.598 1.00 0.00 H new ATOM 568 N LEU A 36 -3.537 13.097 11.549 1.00 0.00 N ATOM 569 CA LEU A 36 -3.443 13.507 10.163 1.00 0.00 C ATOM 570 C LEU A 36 -2.021 13.950 9.850 1.00 0.00 C ATOM 571 O LEU A 36 -1.423 13.488 8.881 1.00 0.00 O ATOM 572 CB LEU A 36 -4.432 14.640 9.900 1.00 0.00 C ATOM 573 CG LEU A 36 -4.673 14.766 8.399 1.00 0.00 C ATOM 574 CD1 LEU A 36 -5.609 13.653 7.938 1.00 0.00 C ATOM 575 CD2 LEU A 36 -5.307 16.121 8.098 1.00 0.00 C ATOM 0 H LEU A 36 -3.020 13.690 12.198 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.691 12.667 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.372 14.443 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.042 15.577 10.296 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.723 14.683 7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.781 13.743 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.157 12.685 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.559 13.735 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.480 16.212 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.257 16.204 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.638 16.917 8.427 1.00 0.00 H new ATOM 587 N ASP A 37 -1.480 14.849 10.675 1.00 0.00 N ATOM 588 CA ASP A 37 -0.133 15.349 10.483 1.00 0.00 C ATOM 589 C ASP A 37 0.798 14.199 10.127 1.00 0.00 C ATOM 590 O ASP A 37 1.432 14.214 9.074 1.00 0.00 O ATOM 591 CB ASP A 37 0.334 16.049 11.756 1.00 0.00 C ATOM 592 CG ASP A 37 -0.347 15.460 12.982 1.00 0.00 C ATOM 593 OD1 ASP A 37 -1.454 15.944 13.304 1.00 0.00 O ATOM 594 OD2 ASP A 37 0.252 14.536 13.575 1.00 0.00 O ATOM 0 H ASP A 37 -1.963 15.242 11.483 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.120 16.067 9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.415 15.951 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.115 17.115 11.691 1.00 0.00 H new ATOM 599 N GLY A 38 0.879 13.199 11.008 1.00 0.00 N ATOM 600 CA GLY A 38 1.732 12.050 10.778 1.00 0.00 C ATOM 601 C GLY A 38 1.588 11.564 9.343 1.00 0.00 C ATOM 602 O GLY A 38 2.519 11.675 8.548 1.00 0.00 O ATOM 0 H GLY A 38 0.360 13.170 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.771 12.314 10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.469 11.249 11.469 1.00 0.00 H new ATOM 606 N MET A 39 0.413 11.023 9.012 1.00 0.00 N ATOM 607 CA MET A 39 0.153 10.522 7.677 1.00 0.00 C ATOM 608 C MET A 39 0.775 11.451 6.645 1.00 0.00 C ATOM 609 O MET A 39 1.609 11.029 5.846 1.00 0.00 O ATOM 610 CB MET A 39 -1.353 10.407 7.462 1.00 0.00 C ATOM 611 CG MET A 39 -1.867 9.136 8.131 1.00 0.00 C ATOM 612 SD MET A 39 -3.549 8.678 7.645 1.00 0.00 S ATOM 613 CE MET A 39 -4.351 10.291 7.822 1.00 0.00 C ATOM 0 H MET A 39 -0.370 10.924 9.658 1.00 0.00 H new ATOM 0 HA MET A 39 0.600 9.535 7.563 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.858 11.279 7.877 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.578 10.386 6.396 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.194 8.313 7.891 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.835 9.268 9.212 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.430 10.174 7.719 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.123 10.705 8.804 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.984 10.967 7.050 1.00 0.00 H new ATOM 623 N CYS A 40 0.367 12.722 6.663 1.00 0.00 N ATOM 624 CA CYS A 40 0.883 13.705 5.732 1.00 0.00 C ATOM 625 C CYS A 40 2.381 13.507 5.552 1.00 0.00 C ATOM 626 O CYS A 40 2.905 13.683 4.455 1.00 0.00 O ATOM 627 CB CYS A 40 0.581 15.107 6.255 1.00 0.00 C ATOM 628 SG CYS A 40 1.183 16.437 5.184 1.00 0.00 S ATOM 0 H CYS A 40 -0.323 13.087 7.319 1.00 0.00 H new ATOM 0 HA CYS A 40 0.401 13.582 4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.497 15.213 6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.028 15.219 7.243 1.00 0.00 H new ATOM 633 N ARG A 41 3.070 13.140 6.635 1.00 0.00 N ATOM 634 CA ARG A 41 4.502 12.921 6.592 1.00 0.00 C ATOM 635 C ARG A 41 4.849 11.635 7.327 1.00 0.00 C ATOM 636 O ARG A 41 5.799 11.599 8.107 1.00 0.00 O ATOM 637 CB ARG A 41 5.217 14.113 7.223 1.00 0.00 C ATOM 638 CG ARG A 41 4.398 14.632 8.402 1.00 0.00 C ATOM 639 CD ARG A 41 4.544 13.676 9.582 1.00 0.00 C ATOM 640 NE ARG A 41 5.911 13.689 10.102 1.00 0.00 N ATOM 641 CZ ARG A 41 6.192 13.607 11.410 1.00 0.00 C ATOM 642 NH1 ARG A 41 5.198 13.508 12.303 1.00 0.00 N ATOM 643 NH2 ARG A 41 7.466 13.624 11.824 1.00 0.00 N ATOM 0 H ARG A 41 2.649 12.990 7.552 1.00 0.00 H new ATOM 0 HA ARG A 41 4.828 12.824 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.211 13.818 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.351 14.903 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.737 15.629 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.349 14.720 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.848 13.959 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.279 12.666 9.271 1.00 0.00 H new ATOM 0 HE ARG A 41 6.684 13.764 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.228 13.495 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.411 13.446 13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.222 13.699 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.680 13.562 12.819 1.00 0.00 H new ATOM 657 N ASN A 42 4.076 10.575 7.077 1.00 0.00 N ATOM 658 CA ASN A 42 4.307 9.295 7.715 1.00 0.00 C ATOM 659 C ASN A 42 5.267 8.463 6.876 1.00 0.00 C ATOM 660 O ASN A 42 6.481 8.621 6.976 1.00 0.00 O ATOM 661 CB ASN A 42 2.976 8.569 7.891 1.00 0.00 C ATOM 662 CG ASN A 42 3.151 7.308 8.726 1.00 0.00 C ATOM 663 OD1 ASN A 42 3.538 7.381 9.890 1.00 0.00 O ATOM 664 ND2 ASN A 42 2.864 6.150 8.128 1.00 0.00 N ATOM 0 H ASN A 42 3.285 10.587 6.434 1.00 0.00 H new ATOM 0 HA ASN A 42 4.756 9.450 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.257 9.232 8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.567 8.310 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.963 5.273 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.546 6.142 7.159 1.00 0.00 H new ATOM 671 N ARG A 43 4.717 7.574 6.046 1.00 0.00 N ATOM 672 CA ARG A 43 5.522 6.722 5.195 1.00 0.00 C ATOM 673 C ARG A 43 6.342 7.576 4.238 1.00 0.00 C ATOM 674 O ARG A 43 6.023 7.668 3.055 1.00 0.00 O ATOM 675 CB ARG A 43 4.613 5.769 4.424 1.00 0.00 C ATOM 676 CG ARG A 43 3.304 6.476 4.086 1.00 0.00 C ATOM 677 CD ARG A 43 2.247 6.114 5.126 1.00 0.00 C ATOM 678 NE ARG A 43 0.902 6.420 4.636 1.00 0.00 N ATOM 679 CZ ARG A 43 -0.198 5.828 5.119 1.00 0.00 C ATOM 680 NH1 ARG A 43 -0.094 4.912 6.092 1.00 0.00 N ATOM 681 NH2 ARG A 43 -1.403 6.150 4.629 1.00 0.00 N ATOM 0 H ARG A 43 3.711 7.432 5.952 1.00 0.00 H new ATOM 0 HA ARG A 43 6.208 6.135 5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.107 5.438 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.414 4.878 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.456 7.555 4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.966 6.183 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.317 5.053 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.436 6.664 6.048 1.00 0.00 H new ATOM 0 HE ARG A 43 0.798 7.114 3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.823 4.666 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.932 4.461 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.483 6.846 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.240 5.699 4.997 1.00 0.00 H new ATOM 695 N CYS A 44 7.404 8.200 4.754 1.00 0.00 N ATOM 696 CA CYS A 44 8.264 9.042 3.947 1.00 0.00 C ATOM 697 C CYS A 44 7.417 9.911 3.027 1.00 0.00 C ATOM 698 O CYS A 44 7.673 9.982 1.827 1.00 0.00 O ATOM 699 CB CYS A 44 9.217 8.167 3.138 1.00 0.00 C ATOM 700 SG CYS A 44 10.728 9.014 2.615 1.00 0.00 S ATOM 0 H CYS A 44 7.682 8.132 5.733 1.00 0.00 H new ATOM 0 HA CYS A 44 8.851 9.695 4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.489 7.296 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.695 7.799 2.255 1.00 0.00 H new ATOM 705 N PHE A 45 6.406 10.573 3.594 1.00 0.00 N ATOM 706 CA PHE A 45 5.530 11.432 2.822 1.00 0.00 C ATOM 707 C PHE A 45 5.129 10.734 1.530 1.00 0.00 C ATOM 708 O PHE A 45 4.829 11.390 0.535 1.00 0.00 O ATOM 709 CB PHE A 45 6.241 12.750 2.528 1.00 0.00 C ATOM 710 CG PHE A 45 7.170 13.193 3.633 1.00 0.00 C ATOM 711 CD1 PHE A 45 6.690 14.004 4.668 1.00 0.00 C ATOM 712 CD2 PHE A 45 8.512 12.795 3.621 1.00 0.00 C ATOM 713 CE1 PHE A 45 7.552 14.417 5.691 1.00 0.00 C ATOM 714 CE2 PHE A 45 9.374 13.207 4.644 1.00 0.00 C ATOM 715 CZ PHE A 45 8.894 14.018 5.679 1.00 0.00 C ATOM 0 H PHE A 45 6.180 10.525 4.588 1.00 0.00 H new ATOM 0 HA PHE A 45 4.625 11.642 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.811 12.648 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.495 13.526 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.655 14.311 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.882 12.170 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.182 15.043 6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.409 12.899 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.559 14.336 6.468 1.00 0.00 H new ATOM 725 N TYR A 46 5.125 9.400 1.548 1.00 0.00 N ATOM 726 CA TYR A 46 4.763 8.622 0.380 1.00 0.00 C ATOM 727 C TYR A 46 3.441 7.908 0.624 1.00 0.00 C ATOM 728 O TYR A 46 3.425 6.750 1.035 1.00 0.00 O ATOM 729 CB TYR A 46 5.872 7.619 0.075 1.00 0.00 C ATOM 730 CG TYR A 46 5.728 6.952 -1.272 1.00 0.00 C ATOM 731 CD1 TYR A 46 5.985 7.676 -2.443 1.00 0.00 C ATOM 732 CD2 TYR A 46 5.338 5.610 -1.350 1.00 0.00 C ATOM 733 CE1 TYR A 46 5.851 7.058 -3.692 1.00 0.00 C ATOM 734 CE2 TYR A 46 5.204 4.992 -2.599 1.00 0.00 C ATOM 735 CZ TYR A 46 5.460 5.716 -3.770 1.00 0.00 C ATOM 736 OH TYR A 46 5.329 5.113 -4.987 1.00 0.00 O ATOM 0 H TYR A 46 5.371 8.842 2.366 1.00 0.00 H new ATOM 0 HA TYR A 46 4.642 9.282 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.834 8.129 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.882 6.854 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.287 8.711 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.141 5.051 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.049 7.616 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.903 3.957 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 46 5.052 4.181 -4.862 1.00 0.00 H new ATOM 746 N ASN A 47 2.330 8.603 0.368 1.00 0.00 N ATOM 747 CA ASN A 47 1.013 8.032 0.561 1.00 0.00 C ATOM 748 C ASN A 47 -0.052 9.016 0.097 1.00 0.00 C ATOM 749 O ASN A 47 -1.183 8.986 0.577 1.00 0.00 O ATOM 750 CB ASN A 47 0.821 7.683 2.034 1.00 0.00 C ATOM 751 CG ASN A 47 -0.067 6.457 2.191 1.00 0.00 C ATOM 752 OD1 ASN A 47 0.425 5.363 2.460 1.00 0.00 O ATOM 753 ND2 ASN A 47 -1.378 6.641 2.024 1.00 0.00 N ATOM 0 H ASN A 47 2.326 9.564 0.026 1.00 0.00 H new ATOM 0 HA ASN A 47 0.919 7.121 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.790 7.497 2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.375 8.529 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.020 5.854 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.739 7.569 1.802 1.00 0.00 H new ATOM 760 N GLU A 48 0.314 9.891 -0.843 1.00 0.00 N ATOM 761 CA GLU A 48 -0.610 10.877 -1.367 1.00 0.00 C ATOM 762 C GLU A 48 -1.066 11.807 -0.251 1.00 0.00 C ATOM 763 O GLU A 48 -1.567 12.898 -0.512 1.00 0.00 O ATOM 764 CB GLU A 48 -1.803 10.167 -2.000 1.00 0.00 C ATOM 765 CG GLU A 48 -2.957 10.122 -1.003 1.00 0.00 C ATOM 766 CD GLU A 48 -4.098 11.024 -1.451 1.00 0.00 C ATOM 767 OE1 GLU A 48 -3.824 11.913 -2.286 1.00 0.00 O ATOM 768 OE2 GLU A 48 -5.223 10.808 -0.950 1.00 0.00 O ATOM 0 H GLU A 48 1.248 9.930 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.112 11.477 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.111 10.689 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.523 9.155 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.316 9.098 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.606 10.435 -0.020 1.00 0.00 H new ATOM 775 N TRP A 49 -0.890 11.370 0.998 1.00 0.00 N ATOM 776 CA TRP A 49 -1.281 12.166 2.145 1.00 0.00 C ATOM 777 C TRP A 49 -0.763 13.589 1.989 1.00 0.00 C ATOM 778 O TRP A 49 -1.168 14.485 2.726 1.00 0.00 O ATOM 779 CB TRP A 49 -0.733 11.527 3.417 1.00 0.00 C ATOM 780 CG TRP A 49 -1.557 10.405 3.963 1.00 0.00 C ATOM 781 CD1 TRP A 49 -1.070 9.233 4.427 1.00 0.00 C ATOM 782 CD2 TRP A 49 -3.007 10.321 4.113 1.00 0.00 C ATOM 783 NE1 TRP A 49 -2.112 8.435 4.850 1.00 0.00 N ATOM 784 CE2 TRP A 49 -3.332 9.059 4.679 1.00 0.00 C ATOM 785 CE3 TRP A 49 -4.081 11.183 3.829 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -4.647 8.671 4.948 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -5.405 10.804 4.095 1.00 0.00 C ATOM 788 CH2 TRP A 49 -5.691 9.553 4.653 1.00 0.00 C ATOM 0 H TRP A 49 -0.478 10.467 1.233 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.368 12.203 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.272 11.156 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -0.641 12.297 4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.025 8.963 4.461 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.996 7.500 5.241 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.883 12.154 3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.854 7.702 5.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.212 11.485 3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.714 9.270 4.855 1.00 0.00 H new ATOM 799 N PHE A 50 0.137 13.794 1.025 1.00 0.00 N ATOM 800 CA PHE A 50 0.705 15.103 0.778 1.00 0.00 C ATOM 801 C PHE A 50 -0.279 15.953 -0.014 1.00 0.00 C ATOM 802 O PHE A 50 -0.258 17.178 0.075 1.00 0.00 O ATOM 803 CB PHE A 50 2.021 14.951 0.019 1.00 0.00 C ATOM 804 CG PHE A 50 3.046 16.001 0.374 1.00 0.00 C ATOM 805 CD1 PHE A 50 3.209 16.398 1.707 1.00 0.00 C ATOM 806 CD2 PHE A 50 3.832 16.579 -0.629 1.00 0.00 C ATOM 807 CE1 PHE A 50 4.158 17.373 2.036 1.00 0.00 C ATOM 808 CE2 PHE A 50 4.782 17.554 -0.300 1.00 0.00 C ATOM 809 CZ PHE A 50 4.944 17.951 1.032 1.00 0.00 C ATOM 0 H PHE A 50 0.483 13.062 0.405 1.00 0.00 H new ATOM 0 HA PHE A 50 0.903 15.602 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.437 13.965 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.821 14.997 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.602 15.952 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.706 16.273 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.284 17.679 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.389 17.999 -1.074 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.676 18.704 1.286 1.00 0.00 H new ATOM 819 N LEU A 51 -1.145 15.297 -0.791 1.00 0.00 N ATOM 820 CA LEU A 51 -2.132 15.991 -1.593 1.00 0.00 C ATOM 821 C LEU A 51 -3.328 16.366 -0.730 1.00 0.00 C ATOM 822 O LEU A 51 -3.976 17.383 -0.969 1.00 0.00 O ATOM 823 CB LEU A 51 -2.561 15.100 -2.754 1.00 0.00 C ATOM 824 CG LEU A 51 -3.521 15.869 -3.658 1.00 0.00 C ATOM 825 CD1 LEU A 51 -2.912 16.002 -5.051 1.00 0.00 C ATOM 826 CD2 LEU A 51 -4.845 15.117 -3.751 1.00 0.00 C ATOM 0 H LEU A 51 -1.175 14.281 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.699 16.907 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.688 14.779 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.044 14.199 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.696 16.861 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.597 16.551 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.966 16.540 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.737 15.010 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.531 15.666 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.671 14.125 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.280 15.022 -2.756 1.00 0.00 H new ATOM 838 N ILE A 52 -3.621 15.540 0.277 1.00 0.00 N ATOM 839 CA ILE A 52 -4.734 15.786 1.172 1.00 0.00 C ATOM 840 C ILE A 52 -4.493 17.071 1.952 1.00 0.00 C ATOM 841 O ILE A 52 -5.409 17.871 2.131 1.00 0.00 O ATOM 842 CB ILE A 52 -4.897 14.600 2.119 1.00 0.00 C ATOM 843 CG1 ILE A 52 -5.106 13.325 1.307 1.00 0.00 C ATOM 844 CG2 ILE A 52 -6.106 14.833 3.021 1.00 0.00 C ATOM 845 CD1 ILE A 52 -3.781 12.899 0.680 1.00 0.00 C ATOM 0 H ILE A 52 -3.094 14.692 0.487 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.652 15.901 0.595 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.001 14.497 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.489 12.531 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.851 13.494 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.224 13.987 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.957 15.744 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.002 14.935 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.929 11.988 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.417 13.691 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.049 12.713 1.466 1.00 0.00 H new ATOM 857 N CYS A 53 -3.257 17.268 2.416 1.00 0.00 N ATOM 858 CA CYS A 53 -2.903 18.452 3.172 1.00 0.00 C ATOM 859 C CYS A 53 -2.804 19.649 2.238 1.00 0.00 C ATOM 860 O CYS A 53 -3.427 20.681 2.479 1.00 0.00 O ATOM 861 CB CYS A 53 -1.578 18.217 3.892 1.00 0.00 C ATOM 862 SG CYS A 53 -1.713 17.155 5.352 1.00 0.00 S ATOM 0 H CYS A 53 -2.487 16.614 2.276 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.674 18.658 3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.871 17.769 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.163 19.179 4.192 1.00 0.00 H new ATOM 867 N LEU A 54 -2.018 19.510 1.168 1.00 0.00 N ATOM 868 CA LEU A 54 -1.842 20.578 0.204 1.00 0.00 C ATOM 869 C LEU A 54 -3.200 21.067 -0.280 1.00 0.00 C ATOM 870 O LEU A 54 -3.317 22.178 -0.792 1.00 0.00 O ATOM 871 CB LEU A 54 -1.001 20.073 -0.966 1.00 0.00 C ATOM 872 CG LEU A 54 0.453 20.489 -0.763 1.00 0.00 C ATOM 873 CD1 LEU A 54 1.232 19.331 -0.144 1.00 0.00 C ATOM 874 CD2 LEU A 54 1.070 20.856 -2.109 1.00 0.00 C ATOM 0 H LEU A 54 -1.495 18.661 0.954 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.324 21.414 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.073 18.988 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.380 20.481 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 54 0.495 21.351 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.271 19.628 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.792 19.069 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.191 18.468 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.109 21.153 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.029 19.994 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.514 21.683 -2.551 1.00 0.00 H new ATOM 886 N LYS A 55 -4.228 20.231 -0.117 1.00 0.00 N ATOM 887 CA LYS A 55 -5.570 20.582 -0.536 1.00 0.00 C ATOM 888 C LYS A 55 -6.201 21.525 0.479 1.00 0.00 C ATOM 889 O LYS A 55 -6.740 22.567 0.112 1.00 0.00 O ATOM 890 CB LYS A 55 -6.404 19.313 -0.685 1.00 0.00 C ATOM 891 CG LYS A 55 -6.483 18.926 -2.159 1.00 0.00 C ATOM 892 CD LYS A 55 -6.368 17.411 -2.294 1.00 0.00 C ATOM 893 CE LYS A 55 -7.701 16.840 -2.771 1.00 0.00 C ATOM 894 NZ LYS A 55 -7.503 15.885 -3.873 1.00 0.00 N ATOM 0 H LYS A 55 -4.147 19.306 0.304 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.531 21.092 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.958 18.502 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.406 19.474 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.425 19.269 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.684 19.413 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.578 17.157 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.093 16.970 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.206 16.344 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.351 17.651 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.426 15.615 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.924 16.327 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.018 15.037 -3.515 1.00 0.00 H new ATOM 908 N ALA A 56 -6.131 21.157 1.760 1.00 0.00 N ATOM 909 CA ALA A 56 -6.694 21.968 2.821 1.00 0.00 C ATOM 910 C ALA A 56 -6.079 23.359 2.787 1.00 0.00 C ATOM 911 O ALA A 56 -6.521 24.253 3.506 1.00 0.00 O ATOM 912 CB ALA A 56 -6.436 21.295 4.166 1.00 0.00 C ATOM 0 H ALA A 56 -5.686 20.297 2.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.770 22.065 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.859 21.904 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.902 20.310 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.362 21.190 4.320 1.00 0.00 H new ATOM 918 N ALA A 57 -5.056 23.541 1.949 1.00 0.00 N ATOM 919 CA ALA A 57 -4.386 24.820 1.827 1.00 0.00 C ATOM 920 C ALA A 57 -4.589 25.377 0.425 1.00 0.00 C ATOM 921 O ALA A 57 -4.076 26.445 0.098 1.00 0.00 O ATOM 922 CB ALA A 57 -2.901 24.646 2.130 1.00 0.00 C ATOM 0 H ALA A 57 -4.679 22.810 1.346 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.809 25.526 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.396 25.608 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.779 24.267 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.466 23.939 1.424 1.00 0.00 H new ATOM 928 N ASN A 58 -5.340 24.649 -0.405 1.00 0.00 N ATOM 929 CA ASN A 58 -5.605 25.073 -1.765 1.00 0.00 C ATOM 930 C ASN A 58 -4.390 24.802 -2.640 1.00 0.00 C ATOM 931 O ASN A 58 -4.494 24.781 -3.864 1.00 0.00 O ATOM 932 CB ASN A 58 -5.956 26.558 -1.773 1.00 0.00 C ATOM 933 CG ASN A 58 -4.838 27.377 -2.403 1.00 0.00 C ATOM 934 OD1 ASN A 58 -4.180 28.160 -1.722 1.00 0.00 O ATOM 935 ND2 ASN A 58 -4.624 27.194 -3.708 1.00 0.00 N ATOM 0 H ASN A 58 -5.773 23.761 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.447 24.510 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.882 26.714 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.132 26.900 -0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.887 27.716 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.197 26.532 -4.231 1.00 0.00 H new ATOM 942 N ARG A 59 -3.233 24.593 -2.006 1.00 0.00 N ATOM 943 CA ARG A 59 -2.004 24.325 -2.726 1.00 0.00 C ATOM 944 C ARG A 59 -2.138 23.027 -3.509 1.00 0.00 C ATOM 945 O ARG A 59 -1.138 22.404 -3.860 1.00 0.00 O ATOM 946 CB ARG A 59 -0.845 24.243 -1.737 1.00 0.00 C ATOM 947 CG ARG A 59 -0.470 25.648 -1.276 1.00 0.00 C ATOM 948 CD ARG A 59 -0.785 25.797 0.210 1.00 0.00 C ATOM 949 NE ARG A 59 -0.392 27.118 0.701 1.00 0.00 N ATOM 950 CZ ARG A 59 -0.984 28.249 0.293 1.00 0.00 C ATOM 951 NH1 ARG A 59 -1.982 28.199 -0.599 1.00 0.00 N ATOM 952 NH2 ARG A 59 -0.579 29.430 0.779 1.00 0.00 N ATOM 0 H ARG A 59 -3.131 24.606 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.807 25.132 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.126 23.631 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.013 23.761 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.590 25.830 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.022 26.391 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.852 25.646 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.262 25.025 0.775 1.00 0.00 H new ATOM 0 HE ARG A 59 0.364 27.181 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.292 27.300 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.432 29.060 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.180 29.468 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.030 30.291 0.468 1.00 0.00 H new ATOM 966 N GLU A 60 -3.379 22.618 -3.782 1.00 0.00 N ATOM 967 CA GLU A 60 -3.635 21.399 -4.522 1.00 0.00 C ATOM 968 C GLU A 60 -3.141 21.547 -5.955 1.00 0.00 C ATOM 969 O GLU A 60 -3.867 21.246 -6.900 1.00 0.00 O ATOM 970 CB GLU A 60 -5.129 21.092 -4.494 1.00 0.00 C ATOM 971 CG GLU A 60 -5.372 19.695 -5.060 1.00 0.00 C ATOM 972 CD GLU A 60 -6.825 19.280 -4.875 1.00 0.00 C ATOM 973 OE1 GLU A 60 -7.637 20.178 -4.564 1.00 0.00 O ATOM 974 OE2 GLU A 60 -7.096 18.072 -5.049 1.00 0.00 O ATOM 0 H GLU A 60 -4.219 23.121 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.098 20.571 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.505 21.153 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.674 21.833 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.117 19.678 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.719 18.978 -4.563 1.00 0.00 H new ATOM 981 N ASP A 61 -1.900 22.013 -6.113 1.00 0.00 N ATOM 982 CA ASP A 61 -1.315 22.199 -7.426 1.00 0.00 C ATOM 983 C ASP A 61 0.192 22.008 -7.350 1.00 0.00 C ATOM 984 O ASP A 61 0.833 21.700 -8.353 1.00 0.00 O ATOM 985 CB ASP A 61 -1.658 23.594 -7.941 1.00 0.00 C ATOM 986 CG ASP A 61 -2.900 23.559 -8.821 1.00 0.00 C ATOM 987 OD1 ASP A 61 -4.007 23.539 -8.240 1.00 0.00 O ATOM 988 OD2 ASP A 61 -2.718 23.552 -10.058 1.00 0.00 O ATOM 0 H ASP A 61 -1.286 22.267 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.720 21.461 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.823 24.266 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.817 23.994 -8.508 1.00 0.00 H new ATOM 993 N GLU A 62 0.760 22.191 -6.155 1.00 0.00 N ATOM 994 CA GLU A 62 2.187 22.036 -5.958 1.00 0.00 C ATOM 995 C GLU A 62 2.506 20.597 -5.577 1.00 0.00 C ATOM 996 O GLU A 62 3.588 20.311 -5.069 1.00 0.00 O ATOM 997 CB GLU A 62 2.657 23.000 -4.872 1.00 0.00 C ATOM 998 CG GLU A 62 1.934 24.334 -5.028 1.00 0.00 C ATOM 999 CD GLU A 62 2.623 25.424 -4.219 1.00 0.00 C ATOM 1000 OE1 GLU A 62 3.542 26.054 -4.784 1.00 0.00 O ATOM 1001 OE2 GLU A 62 2.216 25.606 -3.051 1.00 0.00 O ATOM 0 H GLU A 62 0.244 22.447 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 62 2.712 22.268 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.458 22.579 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.735 23.148 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.909 24.618 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.899 24.232 -4.701 1.00 0.00 H new ATOM 1008 N ILE A 63 1.558 19.690 -5.825 1.00 0.00 N ATOM 1009 CA ILE A 63 1.739 18.287 -5.512 1.00 0.00 C ATOM 1010 C ILE A 63 2.679 17.650 -6.526 1.00 0.00 C ATOM 1011 O ILE A 63 3.569 16.888 -6.156 1.00 0.00 O ATOM 1012 CB ILE A 63 0.383 17.587 -5.515 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -0.713 18.598 -5.192 1.00 0.00 C ATOM 1014 CG2 ILE A 63 0.380 16.480 -4.464 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -0.649 18.962 -3.712 1.00 0.00 C ATOM 0 H ILE A 63 0.655 19.913 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 63 2.183 18.185 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 63 0.200 17.155 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.589 19.492 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.690 18.180 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.588 15.979 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.162 15.757 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.564 16.912 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.432 19.684 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.794 18.065 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.324 19.397 -3.486 1.00 0.00 H new ATOM 1027 N GLU A 64 2.479 17.964 -7.808 1.00 0.00 N ATOM 1028 CA GLU A 64 3.310 17.421 -8.864 1.00 0.00 C ATOM 1029 C GLU A 64 4.778 17.531 -8.477 1.00 0.00 C ATOM 1030 O GLU A 64 5.488 16.528 -8.427 1.00 0.00 O ATOM 1031 CB GLU A 64 3.035 18.173 -10.163 1.00 0.00 C ATOM 1032 CG GLU A 64 3.196 19.672 -9.927 1.00 0.00 C ATOM 1033 CD GLU A 64 2.718 20.467 -11.133 1.00 0.00 C ATOM 1034 OE1 GLU A 64 1.485 20.509 -11.333 1.00 0.00 O ATOM 1035 OE2 GLU A 64 3.595 21.018 -11.834 1.00 0.00 O ATOM 0 H GLU A 64 1.745 18.594 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 64 3.074 16.367 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.723 17.841 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.027 17.956 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.630 19.968 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.242 19.902 -9.726 1.00 0.00 H new ATOM 1042 N LYS A 65 5.234 18.755 -8.203 1.00 0.00 N ATOM 1043 CA LYS A 65 6.612 18.990 -7.823 1.00 0.00 C ATOM 1044 C LYS A 65 6.900 18.324 -6.485 1.00 0.00 C ATOM 1045 O LYS A 65 7.959 17.728 -6.299 1.00 0.00 O ATOM 1046 CB LYS A 65 6.869 20.492 -7.745 1.00 0.00 C ATOM 1047 CG LYS A 65 5.627 21.192 -7.202 1.00 0.00 C ATOM 1048 CD LYS A 65 5.996 21.990 -5.955 1.00 0.00 C ATOM 1049 CE LYS A 65 5.788 23.478 -6.222 1.00 0.00 C ATOM 1050 NZ LYS A 65 7.064 24.208 -6.164 1.00 0.00 N ATOM 0 H LYS A 65 4.659 19.597 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 65 7.277 18.559 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.724 20.693 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.117 20.881 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.209 21.855 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.858 20.457 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.382 21.672 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.034 21.800 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.331 23.615 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.096 23.890 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.895 25.217 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.486 24.095 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.714 23.829 -6.882 1.00 0.00 H new ATOM 1064 N PHE A 66 5.952 18.426 -5.550 1.00 0.00 N ATOM 1065 CA PHE A 66 6.109 17.834 -4.237 1.00 0.00 C ATOM 1066 C PHE A 66 6.268 16.326 -4.365 1.00 0.00 C ATOM 1067 O PHE A 66 6.928 15.696 -3.541 1.00 0.00 O ATOM 1068 CB PHE A 66 4.897 18.180 -3.377 1.00 0.00 C ATOM 1069 CG PHE A 66 4.986 19.541 -2.728 1.00 0.00 C ATOM 1070 CD1 PHE A 66 5.908 20.482 -3.201 1.00 0.00 C ATOM 1071 CD2 PHE A 66 4.149 19.860 -1.652 1.00 0.00 C ATOM 1072 CE1 PHE A 66 5.993 21.743 -2.598 1.00 0.00 C ATOM 1073 CE2 PHE A 66 4.234 21.120 -1.049 1.00 0.00 C ATOM 1074 CZ PHE A 66 5.156 22.062 -1.522 1.00 0.00 C ATOM 0 H PHE A 66 5.068 18.916 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 66 7.004 18.233 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.000 18.139 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.784 17.423 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.554 20.236 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.438 19.134 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.704 22.469 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.588 21.366 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.221 23.034 -1.057 1.00 0.00 H new ATOM 1084 N ARG A 67 5.659 15.747 -5.403 1.00 0.00 N ATOM 1085 CA ARG A 67 5.734 14.318 -5.634 1.00 0.00 C ATOM 1086 C ARG A 67 7.178 13.913 -5.894 1.00 0.00 C ATOM 1087 O ARG A 67 7.722 13.061 -5.195 1.00 0.00 O ATOM 1088 CB ARG A 67 4.847 13.948 -6.819 1.00 0.00 C ATOM 1089 CG ARG A 67 3.658 13.128 -6.328 1.00 0.00 C ATOM 1090 CD ARG A 67 2.764 12.770 -7.511 1.00 0.00 C ATOM 1091 NE ARG A 67 1.786 11.747 -7.140 1.00 0.00 N ATOM 1092 CZ ARG A 67 0.464 11.963 -7.165 1.00 0.00 C ATOM 1093 NH1 ARG A 67 -0.013 13.157 -7.543 1.00 0.00 N ATOM 1094 NH2 ARG A 67 -0.382 10.985 -6.812 1.00 0.00 N ATOM 0 H ARG A 67 5.108 16.256 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 67 5.381 13.784 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.498 14.850 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.419 13.377 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.007 12.221 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.092 13.695 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.246 13.662 -7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.376 12.410 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 67 2.125 10.830 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.630 13.901 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.019 13.321 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.019 10.076 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.388 11.150 -6.831 1.00 0.00 H new ATOM 1108 N VAL A 68 7.799 14.528 -6.904 1.00 0.00 N ATOM 1109 CA VAL A 68 9.174 14.230 -7.251 1.00 0.00 C ATOM 1110 C VAL A 68 10.067 14.430 -6.035 1.00 0.00 C ATOM 1111 O VAL A 68 11.100 13.777 -5.905 1.00 0.00 O ATOM 1112 CB VAL A 68 9.615 15.132 -8.400 1.00 0.00 C ATOM 1113 CG1 VAL A 68 9.971 16.512 -7.856 1.00 0.00 C ATOM 1114 CG2 VAL A 68 10.837 14.524 -9.083 1.00 0.00 C ATOM 0 H VAL A 68 7.361 15.237 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 68 9.256 13.191 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 68 8.803 15.224 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.286 17.156 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.099 16.947 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.783 16.420 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.153 15.168 -9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.649 14.432 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.583 13.538 -9.472 1.00 0.00 H new ATOM 1124 N TRP A 69 9.666 15.336 -5.140 1.00 0.00 N ATOM 1125 CA TRP A 69 10.432 15.613 -3.941 1.00 0.00 C ATOM 1126 C TRP A 69 10.375 14.417 -3.002 1.00 0.00 C ATOM 1127 O TRP A 69 11.407 13.936 -2.541 1.00 0.00 O ATOM 1128 CB TRP A 69 9.876 16.861 -3.261 1.00 0.00 C ATOM 1129 CG TRP A 69 10.140 18.143 -3.985 1.00 0.00 C ATOM 1130 CD1 TRP A 69 10.851 18.262 -5.127 1.00 0.00 C ATOM 1131 CD2 TRP A 69 9.712 19.495 -3.638 1.00 0.00 C ATOM 1132 NE1 TRP A 69 10.892 19.586 -5.509 1.00 0.00 N ATOM 1133 CE2 TRP A 69 10.205 20.392 -4.625 1.00 0.00 C ATOM 1134 CE3 TRP A 69 8.959 20.056 -2.592 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 9.964 21.768 -4.577 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 8.711 21.435 -2.534 1.00 0.00 C ATOM 1137 CH2 TRP A 69 9.211 22.292 -3.522 1.00 0.00 C ATOM 0 H TRP A 69 8.812 15.887 -5.231 1.00 0.00 H new ATOM 0 HA TRP A 69 11.474 15.792 -4.205 1.00 0.00 H new ATOM 0 HB2 TRP A 69 8.799 16.743 -3.142 1.00 0.00 H new ATOM 0 HB3 TRP A 69 10.301 16.932 -2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 69 11.316 17.445 -5.659 1.00 0.00 H new ATOM 0 HE1 TRP A 69 11.371 19.927 -6.342 1.00 0.00 H new ATOM 0 HE3 TRP A 69 8.564 19.413 -1.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 10.355 22.418 -5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 8.129 21.840 -1.719 1.00 0.00 H new ATOM 0 HH2 TRP A 69 9.016 23.353 -3.469 1.00 0.00 H new ATOM 1148 N ILE A 70 9.161 13.936 -2.721 1.00 0.00 N ATOM 1149 CA ILE A 70 8.972 12.800 -1.842 1.00 0.00 C ATOM 1150 C ILE A 70 9.774 11.613 -2.355 1.00 0.00 C ATOM 1151 O ILE A 70 10.130 10.722 -1.586 1.00 0.00 O ATOM 1152 CB ILE A 70 7.487 12.458 -1.766 1.00 0.00 C ATOM 1153 CG1 ILE A 70 6.731 13.610 -1.111 1.00 0.00 C ATOM 1154 CG2 ILE A 70 7.298 11.190 -0.938 1.00 0.00 C ATOM 1155 CD1 ILE A 70 7.566 14.180 0.033 1.00 0.00 C ATOM 0 H ILE A 70 8.296 14.324 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 70 9.326 13.046 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 70 7.101 12.296 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.523 14.387 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.769 13.261 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.237 10.946 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.837 10.366 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.685 11.351 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.027 15.003 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.751 13.400 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.517 14.544 -0.357 1.00 0.00 H new ATOM 1167 N SER A 71 10.060 11.601 -3.659 1.00 0.00 N ATOM 1168 CA SER A 71 10.818 10.526 -4.266 1.00 0.00 C ATOM 1169 C SER A 71 12.300 10.708 -3.970 1.00 0.00 C ATOM 1170 O SER A 71 13.024 9.732 -3.787 1.00 0.00 O ATOM 1171 CB SER A 71 10.565 10.511 -5.770 1.00 0.00 C ATOM 1172 OG SER A 71 9.926 9.305 -6.127 1.00 0.00 O ATOM 0 H SER A 71 9.772 12.332 -4.310 1.00 0.00 H new ATOM 0 HA SER A 71 10.499 9.571 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.945 11.361 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.507 10.609 -6.309 1.00 0.00 H new ATOM 0 HG SER A 71 9.762 9.295 -7.093 1.00 0.00 H new ATOM 1178 N ILE A 72 12.750 11.964 -3.923 1.00 0.00 N ATOM 1179 CA ILE A 72 14.139 12.271 -3.647 1.00 0.00 C ATOM 1180 C ILE A 72 14.526 11.727 -2.280 1.00 0.00 C ATOM 1181 O ILE A 72 15.652 11.275 -2.085 1.00 0.00 O ATOM 1182 CB ILE A 72 14.347 13.782 -3.708 1.00 0.00 C ATOM 1183 CG1 ILE A 72 14.033 14.284 -5.114 1.00 0.00 C ATOM 1184 CG2 ILE A 72 15.797 14.110 -3.363 1.00 0.00 C ATOM 1185 CD1 ILE A 72 13.572 15.737 -5.045 1.00 0.00 C ATOM 0 H ILE A 72 12.162 12.783 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 72 14.776 11.800 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 72 13.684 14.268 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.917 14.201 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.258 13.667 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 72 15.946 15.189 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 72 16.022 13.753 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.460 13.623 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.348 16.096 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.677 15.806 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.362 16.349 -4.609 1.00 0.00 H new ATOM 1197 N LEU A 73 13.588 11.770 -1.330 1.00 0.00 N ATOM 1198 CA LEU A 73 13.834 11.282 0.012 1.00 0.00 C ATOM 1199 C LEU A 73 13.951 9.764 -0.004 1.00 0.00 C ATOM 1200 O LEU A 73 14.265 9.153 1.014 1.00 0.00 O ATOM 1201 CB LEU A 73 12.700 11.727 0.931 1.00 0.00 C ATOM 1202 CG LEU A 73 12.300 13.159 0.587 1.00 0.00 C ATOM 1203 CD1 LEU A 73 10.813 13.354 0.870 1.00 0.00 C ATOM 1204 CD2 LEU A 73 13.112 14.132 1.438 1.00 0.00 C ATOM 0 H LEU A 73 12.649 12.142 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 73 14.771 11.695 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.844 11.062 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.016 11.666 1.972 1.00 0.00 H new ATOM 0 HG LEU A 73 12.496 13.348 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.527 14.377 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.233 12.659 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.616 13.166 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.827 15.155 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.916 13.944 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.174 13.993 1.236 1.00 0.00 H new ATOM 1216 N ASN A 74 13.697 9.157 -1.166 1.00 0.00 N ATOM 1217 CA ASN A 74 13.776 7.717 -1.307 1.00 0.00 C ATOM 1218 C ASN A 74 15.031 7.340 -2.081 1.00 0.00 C ATOM 1219 O ASN A 74 15.113 6.251 -2.646 1.00 0.00 O ATOM 1220 CB ASN A 74 12.527 7.209 -2.021 1.00 0.00 C ATOM 1221 CG ASN A 74 11.372 7.043 -1.044 1.00 0.00 C ATOM 1222 OD1 ASN A 74 11.484 6.303 -0.069 1.00 0.00 O ATOM 1223 ND2 ASN A 74 10.261 7.735 -1.306 1.00 0.00 N ATOM 0 H ASN A 74 13.435 9.650 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 74 13.830 7.254 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.244 7.907 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.741 6.255 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.456 7.662 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.217 8.336 -2.129 1.00 0.00 H new ATOM 1230 N ALA A 75 16.011 8.246 -2.106 1.00 0.00 N ATOM 1231 CA ALA A 75 17.255 8.007 -2.810 1.00 0.00 C ATOM 1232 C ALA A 75 17.766 6.609 -2.492 1.00 0.00 C ATOM 1233 O ALA A 75 18.629 6.085 -3.194 1.00 0.00 O ATOM 1234 CB ALA A 75 18.279 9.062 -2.403 1.00 0.00 C ATOM 0 H ALA A 75 15.958 9.153 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 75 17.089 8.076 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.215 8.883 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.902 10.052 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 75 18.453 9.005 -1.328 1.00 0.00 H new ATOM 1240 N GLY A 76 17.231 6.003 -1.429 1.00 0.00 N ATOM 1241 CA GLY A 76 17.638 4.671 -1.028 1.00 0.00 C ATOM 1242 C GLY A 76 16.415 3.801 -0.773 1.00 0.00 C ATOM 1243 O GLY A 76 16.443 2.918 0.081 1.00 0.00 O ATOM 0 H GLY A 76 16.515 6.421 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.256 4.222 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.249 4.725 -0.127 1.00 0.00 H new ATOM 1247 N GLN A 77 15.337 4.053 -1.520 1.00 0.00 N ATOM 1248 CA GLN A 77 14.111 3.295 -1.373 1.00 0.00 C ATOM 1249 C GLN A 77 13.637 2.809 -2.735 1.00 0.00 C ATOM 1250 O GLN A 77 13.086 1.717 -2.849 1.00 0.00 O ATOM 1251 CB GLN A 77 13.050 4.171 -0.712 1.00 0.00 C ATOM 1252 CG GLN A 77 12.603 3.529 0.598 1.00 0.00 C ATOM 1253 CD GLN A 77 13.560 3.881 1.728 1.00 0.00 C ATOM 1254 OE1 GLN A 77 14.066 2.995 2.414 1.00 0.00 O ATOM 1255 NE2 GLN A 77 13.806 5.179 1.922 1.00 0.00 N ATOM 1256 OXT GLN A 77 13.801 3.502 -3.736 1.00 0.00 O ATOM 0 H GLN A 77 15.298 4.781 -2.233 1.00 0.00 H new ATOM 0 HA GLN A 77 14.291 2.424 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.452 5.167 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.197 4.293 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.597 3.867 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.556 2.446 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.361 5.877 1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.439 5.472 2.666 1.00 0.00 H new TER 1265 GLN A 77