USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 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 64 ASN : amide:sc= -2.39! C(o=-3.6!,f=-9.4!) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -1.19 F(o=-5.7!,f=-3.6) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -6.89! C(o=-8.5!,f=-12!) USER MOD Set 2.2: A 51 TYR OH : rot 1:sc= -1.6 USER MOD Set 3.1: A 48 CYS SG : rot -172:sc= -0.711 USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= 0.277 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -0.226 USER MOD Set 4.2: A 30 ASN : amide:sc= -1.62 X(o=-1.8,f=-1.6!) USER MOD Single : A 1 SER N :NH3+ -141:sc= 0.233 (180deg=0.0139) USER MOD Single : A 1 SER OG : rot 32:sc= -2.38 USER MOD Single : A 2 LYS NZ :NH3+ -159:sc= -0.0208 (180deg=-0.233) USER MOD Single : A 5 TYR OH : rot -88:sc= -0.225 USER MOD Single : A 7 SER OG : rot -87:sc= -1 USER MOD Single : A 8 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-8.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.837 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.064) USER MOD Single : A 45 CYS SG : rot 180:sc= 0.424 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.475 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -160:sc= -0.486 (180deg=-2.09) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -90:sc= -3.13! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -6.28! C(o=-6.3!,f=-12!) USER MOD Single : A 82 SER OG : rot 37:sc= -0.375! USER MOD Single : A 85 CYS SG : rot 180:sc= -10.9! USER MOD Single : A 90 MET CE :methyl 169:sc= -0.522 (180deg=-0.678) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 105 GLN : amide:sc= -9.29! C(o=-9.3!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.943 -9.044 3.691 1.00 0.00 N ATOM 2 CA SER A 1 9.683 -9.560 3.080 1.00 0.00 C ATOM 3 C SER A 1 9.650 -9.178 1.599 1.00 0.00 C ATOM 4 O SER A 1 10.108 -8.119 1.214 1.00 0.00 O ATOM 5 CB SER A 1 8.479 -8.946 3.799 1.00 0.00 C ATOM 6 OG SER A 1 8.761 -7.586 4.103 1.00 0.00 O ATOM 0 H1 SER A 1 11.315 -9.745 4.363 1.00 0.00 H new ATOM 0 H2 SER A 1 11.646 -8.873 2.944 1.00 0.00 H new ATOM 0 H3 SER A 1 10.747 -8.154 4.192 1.00 0.00 H new ATOM 0 HA SER A 1 9.644 -10.645 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.591 -9.014 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.265 -9.499 4.714 1.00 0.00 H new ATOM 0 HG SER A 1 9.344 -7.210 3.411 1.00 0.00 H new ATOM 14 N LYS A 2 9.110 -10.022 0.759 1.00 0.00 N ATOM 15 CA LYS A 2 9.052 -9.692 -0.683 1.00 0.00 C ATOM 16 C LYS A 2 7.820 -8.832 -0.914 1.00 0.00 C ATOM 17 O LYS A 2 6.723 -9.216 -0.582 1.00 0.00 O ATOM 18 CB LYS A 2 8.926 -11.004 -1.485 1.00 0.00 C ATOM 19 CG LYS A 2 10.294 -11.438 -2.049 1.00 0.00 C ATOM 20 CD LYS A 2 10.591 -10.706 -3.380 1.00 0.00 C ATOM 21 CE LYS A 2 9.984 -11.475 -4.559 1.00 0.00 C ATOM 22 NZ LYS A 2 10.788 -12.702 -4.824 1.00 0.00 N ATOM 0 H LYS A 2 8.708 -10.924 1.016 1.00 0.00 H new ATOM 0 HA LYS A 2 9.948 -9.159 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.527 -11.790 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.218 -10.869 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.078 -11.219 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.301 -12.516 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.182 -9.696 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.668 -10.609 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.952 -11.746 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.964 -10.843 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.617 -13.025 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.798 -12.488 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.510 -13.450 -4.157 1.00 0.00 H new ATOM 36 N VAL A 3 7.980 -7.663 -1.441 1.00 0.00 N ATOM 37 CA VAL A 3 6.813 -6.765 -1.667 1.00 0.00 C ATOM 38 C VAL A 3 6.703 -6.467 -3.150 1.00 0.00 C ATOM 39 O VAL A 3 7.629 -5.976 -3.747 1.00 0.00 O ATOM 40 CB VAL A 3 7.119 -5.487 -0.869 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.418 -4.251 -1.443 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.690 -5.708 0.566 1.00 0.00 C ATOM 0 H VAL A 3 8.879 -7.279 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 3 5.869 -7.206 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 3 8.190 -5.293 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.669 -3.378 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.747 -4.090 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.339 -4.404 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.899 -4.812 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.622 -5.921 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.241 -6.550 0.985 1.00 0.00 H new ATOM 52 N VAL A 4 5.578 -6.757 -3.749 1.00 0.00 N ATOM 53 CA VAL A 4 5.409 -6.484 -5.216 1.00 0.00 C ATOM 54 C VAL A 4 4.390 -5.363 -5.424 1.00 0.00 C ATOM 55 O VAL A 4 3.316 -5.363 -4.880 1.00 0.00 O ATOM 56 CB VAL A 4 4.935 -7.746 -5.916 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.691 -7.456 -7.393 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.999 -8.837 -5.771 1.00 0.00 C ATOM 0 H VAL A 4 4.767 -7.171 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 4 6.366 -6.175 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 4 4.004 -8.085 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.351 -8.364 -7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.930 -6.682 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.617 -7.114 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.661 -9.744 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.931 -8.498 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.163 -9.047 -4.714 1.00 0.00 H new ATOM 68 N TYR A 5 4.744 -4.431 -6.251 1.00 0.00 N ATOM 69 CA TYR A 5 3.847 -3.297 -6.589 1.00 0.00 C ATOM 70 C TYR A 5 3.380 -3.483 -8.035 1.00 0.00 C ATOM 71 O TYR A 5 4.169 -3.421 -8.956 1.00 0.00 O ATOM 72 CB TYR A 5 4.612 -1.975 -6.465 1.00 0.00 C ATOM 73 CG TYR A 5 4.806 -1.634 -5.006 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.752 -1.079 -4.270 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.040 -1.870 -4.392 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.933 -0.763 -2.920 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.218 -1.554 -3.033 1.00 0.00 C ATOM 78 CZ TYR A 5 5.166 -0.999 -2.303 1.00 0.00 C ATOM 79 OH TYR A 5 5.343 -0.688 -0.972 1.00 0.00 O ATOM 0 H TYR A 5 5.648 -4.406 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 5 2.995 -3.273 -5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.579 -2.055 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.062 -1.177 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.800 -0.895 -4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.855 -2.294 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.119 -0.336 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.168 -1.741 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 5 5.635 0.244 -0.890 1.00 0.00 H new ATOM 89 N VAL A 6 2.102 -3.662 -8.255 1.00 0.00 N ATOM 90 CA VAL A 6 1.596 -3.796 -9.653 1.00 0.00 C ATOM 91 C VAL A 6 1.047 -2.427 -10.036 1.00 0.00 C ATOM 92 O VAL A 6 0.115 -1.934 -9.442 1.00 0.00 O ATOM 93 CB VAL A 6 0.507 -4.867 -9.746 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.108 -5.061 -11.210 1.00 0.00 C ATOM 95 CG2 VAL A 6 1.046 -6.187 -9.191 1.00 0.00 C ATOM 0 H VAL A 6 1.389 -3.721 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 6 2.391 -4.109 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.363 -4.553 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.668 -5.824 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.271 -4.121 -11.611 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.978 -5.377 -11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.272 -6.952 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.914 -6.499 -9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.336 -6.052 -8.149 1.00 0.00 H new ATOM 105 N SER A 7 1.672 -1.790 -10.971 1.00 0.00 N ATOM 106 CA SER A 7 1.253 -0.422 -11.352 1.00 0.00 C ATOM 107 C SER A 7 -0.015 -0.434 -12.192 1.00 0.00 C ATOM 108 O SER A 7 -0.575 -1.465 -12.511 1.00 0.00 O ATOM 109 CB SER A 7 2.380 0.252 -12.132 1.00 0.00 C ATOM 110 OG SER A 7 2.413 -0.264 -13.456 1.00 0.00 O ATOM 0 H SER A 7 2.465 -2.161 -11.495 1.00 0.00 H new ATOM 0 HA SER A 7 1.041 0.134 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.227 1.331 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.335 0.076 -11.637 1.00 0.00 H new ATOM 0 HG SER A 7 2.969 -1.071 -13.479 1.00 0.00 H new ATOM 116 N HIS A 8 -0.451 0.734 -12.550 1.00 0.00 N ATOM 117 CA HIS A 8 -1.673 0.864 -13.386 1.00 0.00 C ATOM 118 C HIS A 8 -1.276 0.535 -14.826 1.00 0.00 C ATOM 119 O HIS A 8 -1.958 -0.190 -15.521 1.00 0.00 O ATOM 120 CB HIS A 8 -2.252 2.306 -13.284 1.00 0.00 C ATOM 121 CG HIS A 8 -1.338 3.192 -12.465 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.797 2.792 -11.249 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.869 4.465 -12.681 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.044 3.806 -10.792 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.055 4.846 -11.621 1.00 0.00 N ATOM 0 H HIS A 8 -0.009 1.617 -12.297 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.450 0.181 -13.043 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.375 2.726 -14.282 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.241 2.275 -12.828 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.098 5.076 -13.542 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.505 3.780 -9.862 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.431 5.735 -11.504 1.00 0.00 H new ATOM 134 N ASP A 9 -0.171 1.065 -15.271 1.00 0.00 N ATOM 135 CA ASP A 9 0.281 0.785 -16.660 1.00 0.00 C ATOM 136 C ASP A 9 0.621 -0.706 -16.789 1.00 0.00 C ATOM 137 O ASP A 9 0.903 -1.187 -17.870 1.00 0.00 O ATOM 138 CB ASP A 9 1.519 1.635 -16.978 1.00 0.00 C ATOM 139 CG ASP A 9 2.378 1.776 -15.723 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.863 2.263 -14.725 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.535 1.395 -15.769 1.00 0.00 O ATOM 0 H ASP A 9 0.438 1.680 -14.732 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.512 1.036 -17.364 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.097 1.170 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.215 2.619 -17.336 1.00 0.00 H new ATOM 146 N GLY A 10 0.590 -1.446 -15.712 1.00 0.00 N ATOM 147 CA GLY A 10 0.900 -2.911 -15.783 1.00 0.00 C ATOM 148 C GLY A 10 2.356 -3.180 -15.373 1.00 0.00 C ATOM 149 O GLY A 10 2.730 -4.305 -15.114 1.00 0.00 O ATOM 0 H GLY A 10 0.362 -1.100 -14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.225 -3.462 -15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.729 -3.275 -16.796 1.00 0.00 H new ATOM 153 N THR A 11 3.185 -2.168 -15.321 1.00 0.00 N ATOM 154 CA THR A 11 4.604 -2.402 -14.944 1.00 0.00 C ATOM 155 C THR A 11 4.674 -2.831 -13.471 1.00 0.00 C ATOM 156 O THR A 11 4.097 -2.218 -12.595 1.00 0.00 O ATOM 157 CB THR A 11 5.442 -1.132 -15.209 1.00 0.00 C ATOM 158 OG1 THR A 11 6.693 -1.515 -15.766 1.00 0.00 O ATOM 159 CG2 THR A 11 5.698 -0.321 -13.935 1.00 0.00 C ATOM 0 H THR A 11 2.939 -1.199 -15.522 1.00 0.00 H new ATOM 0 HA THR A 11 5.023 -3.202 -15.554 1.00 0.00 H new ATOM 0 HB THR A 11 4.876 -0.501 -15.895 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.232 -0.715 -15.940 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.291 0.561 -14.178 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.746 -0.010 -13.504 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.239 -0.935 -13.215 1.00 0.00 H new ATOM 167 N ARG A 12 5.373 -3.895 -13.213 1.00 0.00 N ATOM 168 CA ARG A 12 5.500 -4.419 -11.820 1.00 0.00 C ATOM 169 C ARG A 12 6.870 -4.064 -11.228 1.00 0.00 C ATOM 170 O ARG A 12 7.892 -4.230 -11.859 1.00 0.00 O ATOM 171 CB ARG A 12 5.363 -5.941 -11.833 1.00 0.00 C ATOM 172 CG ARG A 12 4.145 -6.347 -12.675 1.00 0.00 C ATOM 173 CD ARG A 12 3.963 -7.882 -12.671 1.00 0.00 C ATOM 174 NE ARG A 12 2.745 -8.208 -11.868 1.00 0.00 N ATOM 175 CZ ARG A 12 1.825 -9.036 -12.307 1.00 0.00 C ATOM 176 NH1 ARG A 12 1.940 -9.615 -13.469 1.00 0.00 N ATOM 177 NH2 ARG A 12 0.780 -9.290 -11.567 1.00 0.00 N ATOM 0 H ARG A 12 5.873 -4.437 -13.918 1.00 0.00 H new ATOM 0 HA ARG A 12 4.715 -3.967 -11.213 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.266 -6.393 -12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.253 -6.314 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.249 -5.869 -12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.270 -5.994 -13.698 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.857 -8.254 -13.690 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.841 -8.367 -12.244 1.00 0.00 H new ATOM 0 HE ARG A 12 2.625 -7.775 -10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.755 -9.428 -14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.215 -10.255 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.682 -8.846 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.062 -9.932 -11.902 1.00 0.00 H new ATOM 191 N ARG A 13 6.897 -3.609 -9.995 1.00 0.00 N ATOM 192 CA ARG A 13 8.186 -3.272 -9.319 1.00 0.00 C ATOM 193 C ARG A 13 8.153 -3.924 -7.947 1.00 0.00 C ATOM 194 O ARG A 13 7.197 -3.771 -7.210 1.00 0.00 O ATOM 195 CB ARG A 13 8.303 -1.765 -9.136 1.00 0.00 C ATOM 196 CG ARG A 13 9.704 -1.422 -8.594 1.00 0.00 C ATOM 197 CD ARG A 13 9.779 0.052 -8.156 1.00 0.00 C ATOM 198 NE ARG A 13 10.316 0.897 -9.257 1.00 0.00 N ATOM 199 CZ ARG A 13 9.506 1.472 -10.110 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.222 1.229 -10.074 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.985 2.293 -11.003 1.00 0.00 N ATOM 0 H ARG A 13 6.066 -3.456 -9.424 1.00 0.00 H new ATOM 0 HA ARG A 13 9.029 -3.622 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.135 -1.258 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.537 -1.411 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.940 -2.069 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.453 -1.616 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.787 0.403 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.415 0.144 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 13 11.323 1.029 -9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.844 0.587 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.598 1.681 -10.742 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.986 2.485 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.358 2.744 -11.670 1.00 0.00 H new ATOM 215 N GLU A 14 9.169 -4.668 -7.597 1.00 0.00 N ATOM 216 CA GLU A 14 9.185 -5.365 -6.274 1.00 0.00 C ATOM 217 C GLU A 14 10.341 -4.851 -5.394 1.00 0.00 C ATOM 218 O GLU A 14 11.447 -4.662 -5.868 1.00 0.00 O ATOM 219 CB GLU A 14 9.353 -6.880 -6.509 1.00 0.00 C ATOM 220 CG GLU A 14 8.769 -7.264 -7.884 1.00 0.00 C ATOM 221 CD GLU A 14 9.758 -6.894 -8.990 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.879 -7.371 -8.943 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.376 -6.141 -9.876 1.00 0.00 O ATOM 0 H GLU A 14 9.995 -4.825 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 14 8.246 -5.163 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.408 -7.149 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.848 -7.438 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.559 -8.333 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.822 -6.749 -8.044 1.00 0.00 H new ATOM 230 N LEU A 15 10.097 -4.647 -4.111 1.00 0.00 N ATOM 231 CA LEU A 15 11.182 -4.173 -3.178 1.00 0.00 C ATOM 232 C LEU A 15 11.282 -5.106 -1.973 1.00 0.00 C ATOM 233 O LEU A 15 10.446 -5.955 -1.740 1.00 0.00 O ATOM 234 CB LEU A 15 10.873 -2.771 -2.582 1.00 0.00 C ATOM 235 CG LEU A 15 9.847 -2.027 -3.391 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.517 -0.731 -2.621 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.390 -1.688 -4.794 1.00 0.00 C ATOM 0 H LEU A 15 9.188 -4.790 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 15 12.096 -4.148 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.515 -2.883 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.792 -2.186 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 15 8.956 -2.640 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.773 -0.158 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.122 -0.983 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.423 -0.135 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.628 -1.150 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.279 -1.065 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.647 -2.609 -5.317 1.00 0.00 H new ATOM 249 N ASP A 16 12.275 -4.860 -1.180 1.00 0.00 N ATOM 250 CA ASP A 16 12.457 -5.603 0.079 1.00 0.00 C ATOM 251 C ASP A 16 12.112 -4.602 1.192 1.00 0.00 C ATOM 252 O ASP A 16 12.813 -3.629 1.387 1.00 0.00 O ATOM 253 CB ASP A 16 13.921 -6.046 0.203 1.00 0.00 C ATOM 254 CG ASP A 16 14.125 -7.383 -0.512 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.922 -8.407 0.113 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.479 -7.360 -1.673 1.00 0.00 O ATOM 0 H ASP A 16 12.988 -4.153 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 16 11.833 -6.496 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.576 -5.290 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.193 -6.141 1.254 1.00 0.00 H new ATOM 261 N VAL A 17 11.058 -4.832 1.923 1.00 0.00 N ATOM 262 CA VAL A 17 10.668 -3.898 3.043 1.00 0.00 C ATOM 263 C VAL A 17 10.877 -4.643 4.366 1.00 0.00 C ATOM 264 O VAL A 17 10.387 -5.738 4.557 1.00 0.00 O ATOM 265 CB VAL A 17 9.189 -3.486 2.839 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.842 -2.192 3.628 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.986 -3.240 1.333 1.00 0.00 C ATOM 0 H VAL A 17 10.437 -5.632 1.800 1.00 0.00 H new ATOM 0 HA VAL A 17 11.273 -2.992 3.054 1.00 0.00 H new ATOM 0 HB VAL A 17 8.536 -4.277 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.796 -1.933 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.009 -2.359 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.477 -1.375 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.953 -2.947 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.654 -2.445 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.208 -4.154 0.782 1.00 0.00 H new ATOM 277 N ALA A 18 11.652 -4.079 5.253 1.00 0.00 N ATOM 278 CA ALA A 18 11.951 -4.777 6.542 1.00 0.00 C ATOM 279 C ALA A 18 10.706 -4.884 7.429 1.00 0.00 C ATOM 280 O ALA A 18 9.750 -4.148 7.295 1.00 0.00 O ATOM 281 CB ALA A 18 13.064 -4.022 7.291 1.00 0.00 C ATOM 0 H ALA A 18 12.092 -3.165 5.143 1.00 0.00 H new ATOM 0 HA ALA A 18 12.281 -5.789 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.281 -4.531 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.964 -3.996 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.737 -3.003 7.498 1.00 0.00 H new ATOM 287 N ASP A 19 10.740 -5.815 8.348 1.00 0.00 N ATOM 288 CA ASP A 19 9.601 -6.019 9.271 1.00 0.00 C ATOM 289 C ASP A 19 9.298 -4.727 10.014 1.00 0.00 C ATOM 290 O ASP A 19 10.180 -4.007 10.444 1.00 0.00 O ATOM 291 CB ASP A 19 9.957 -7.113 10.274 1.00 0.00 C ATOM 292 CG ASP A 19 11.330 -6.828 10.887 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.300 -6.842 10.147 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.389 -6.602 12.081 1.00 0.00 O ATOM 0 H ASP A 19 11.526 -6.449 8.494 1.00 0.00 H new ATOM 0 HA ASP A 19 8.721 -6.315 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.201 -7.160 11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.964 -8.084 9.779 1.00 0.00 H new ATOM 299 N GLY A 20 8.046 -4.452 10.186 1.00 0.00 N ATOM 300 CA GLY A 20 7.638 -3.226 10.921 1.00 0.00 C ATOM 301 C GLY A 20 7.741 -1.985 10.033 1.00 0.00 C ATOM 302 O GLY A 20 7.475 -0.889 10.487 1.00 0.00 O ATOM 0 H GLY A 20 7.275 -5.028 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.614 -3.337 11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.269 -3.100 11.801 1.00 0.00 H new ATOM 306 N VAL A 21 8.116 -2.116 8.788 1.00 0.00 N ATOM 307 CA VAL A 21 8.217 -0.905 7.913 1.00 0.00 C ATOM 308 C VAL A 21 6.908 -0.725 7.156 1.00 0.00 C ATOM 309 O VAL A 21 6.199 -1.677 6.886 1.00 0.00 O ATOM 310 CB VAL A 21 9.327 -1.101 6.877 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.433 0.139 5.991 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.669 -1.361 7.564 1.00 0.00 C ATOM 0 H VAL A 21 8.356 -3.000 8.339 1.00 0.00 H new ATOM 0 HA VAL A 21 8.431 -0.038 8.538 1.00 0.00 H new ATOM 0 HB VAL A 21 9.078 -1.967 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.224 -0.006 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.485 0.301 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.665 1.008 6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.444 -1.497 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.925 -0.511 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.596 -2.260 8.176 1.00 0.00 H new ATOM 322 N SER A 22 6.579 0.483 6.792 1.00 0.00 N ATOM 323 CA SER A 22 5.315 0.715 6.033 1.00 0.00 C ATOM 324 C SER A 22 5.589 0.585 4.534 1.00 0.00 C ATOM 325 O SER A 22 6.558 1.105 4.021 1.00 0.00 O ATOM 326 CB SER A 22 4.793 2.122 6.339 1.00 0.00 C ATOM 327 OG SER A 22 5.366 3.044 5.418 1.00 0.00 O ATOM 0 H SER A 22 7.129 1.320 6.986 1.00 0.00 H new ATOM 0 HA SER A 22 4.569 -0.023 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.706 2.144 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.049 2.404 7.361 1.00 0.00 H new ATOM 0 HG SER A 22 5.034 3.946 5.609 1.00 0.00 H new ATOM 333 N LEU A 23 4.734 -0.089 3.813 1.00 0.00 N ATOM 334 CA LEU A 23 4.945 -0.226 2.348 1.00 0.00 C ATOM 335 C LEU A 23 5.242 1.151 1.762 1.00 0.00 C ATOM 336 O LEU A 23 6.006 1.298 0.829 1.00 0.00 O ATOM 337 CB LEU A 23 3.671 -0.775 1.708 1.00 0.00 C ATOM 338 CG LEU A 23 3.542 -2.282 1.980 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.127 -2.733 1.616 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.550 -3.073 1.125 1.00 0.00 C ATOM 0 H LEU A 23 3.900 -0.549 4.177 1.00 0.00 H new ATOM 0 HA LEU A 23 5.777 -0.903 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.802 -0.251 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.689 -0.593 0.633 1.00 0.00 H new ATOM 0 HG LEU A 23 3.745 -2.469 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.026 -3.802 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.404 -2.187 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.941 -2.533 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.444 -4.138 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.356 -2.886 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.563 -2.755 1.370 1.00 0.00 H new ATOM 352 N MET A 24 4.638 2.159 2.313 1.00 0.00 N ATOM 353 CA MET A 24 4.869 3.535 1.813 1.00 0.00 C ATOM 354 C MET A 24 6.319 3.936 2.100 1.00 0.00 C ATOM 355 O MET A 24 6.956 4.591 1.294 1.00 0.00 O ATOM 356 CB MET A 24 3.915 4.481 2.537 1.00 0.00 C ATOM 357 CG MET A 24 4.048 5.903 1.982 1.00 0.00 C ATOM 358 SD MET A 24 3.371 5.951 0.302 1.00 0.00 S ATOM 359 CE MET A 24 3.097 7.739 0.215 1.00 0.00 C ATOM 0 H MET A 24 3.988 2.088 3.096 1.00 0.00 H new ATOM 0 HA MET A 24 4.691 3.585 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.889 4.133 2.420 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.132 4.479 3.605 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.516 6.607 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.095 6.207 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.675 7.996 -0.757 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.405 8.040 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.046 8.259 0.347 1.00 0.00 H new ATOM 369 N GLN A 25 6.851 3.553 3.231 1.00 0.00 N ATOM 370 CA GLN A 25 8.260 3.921 3.548 1.00 0.00 C ATOM 371 C GLN A 25 9.175 3.379 2.448 1.00 0.00 C ATOM 372 O GLN A 25 9.891 4.125 1.806 1.00 0.00 O ATOM 373 CB GLN A 25 8.671 3.336 4.911 1.00 0.00 C ATOM 374 CG GLN A 25 8.195 4.255 6.041 1.00 0.00 C ATOM 375 CD GLN A 25 9.164 5.430 6.202 1.00 0.00 C ATOM 376 OE1 GLN A 25 8.854 6.544 5.832 1.00 0.00 O ATOM 377 NE2 GLN A 25 10.332 5.229 6.745 1.00 0.00 N ATOM 0 H GLN A 25 6.372 3.004 3.945 1.00 0.00 H new ATOM 0 HA GLN A 25 8.349 5.006 3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.241 2.342 5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.754 3.222 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.194 4.626 5.822 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.131 3.695 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.595 4.294 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.982 6.007 6.858 1.00 0.00 H new ATOM 386 N ALA A 26 9.162 2.091 2.197 1.00 0.00 N ATOM 387 CA ALA A 26 10.050 1.549 1.113 1.00 0.00 C ATOM 388 C ALA A 26 9.618 2.077 -0.260 1.00 0.00 C ATOM 389 O ALA A 26 10.419 2.166 -1.168 1.00 0.00 O ATOM 390 CB ALA A 26 9.989 0.023 1.116 1.00 0.00 C ATOM 0 H ALA A 26 8.588 1.402 2.683 1.00 0.00 H new ATOM 0 HA ALA A 26 11.071 1.878 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.634 -0.368 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.326 -0.353 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.963 -0.300 0.939 1.00 0.00 H new ATOM 396 N ALA A 27 8.373 2.436 -0.425 1.00 0.00 N ATOM 397 CA ALA A 27 7.914 2.964 -1.744 1.00 0.00 C ATOM 398 C ALA A 27 8.627 4.283 -2.059 1.00 0.00 C ATOM 399 O ALA A 27 9.352 4.399 -3.027 1.00 0.00 O ATOM 400 CB ALA A 27 6.415 3.231 -1.648 1.00 0.00 C ATOM 0 H ALA A 27 7.653 2.387 0.296 1.00 0.00 H new ATOM 0 HA ALA A 27 8.136 2.241 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.053 3.618 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.894 2.303 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.225 3.963 -0.863 1.00 0.00 H new ATOM 406 N VAL A 28 8.408 5.279 -1.248 1.00 0.00 N ATOM 407 CA VAL A 28 9.047 6.607 -1.487 1.00 0.00 C ATOM 408 C VAL A 28 10.563 6.436 -1.618 1.00 0.00 C ATOM 409 O VAL A 28 11.250 7.291 -2.137 1.00 0.00 O ATOM 410 CB VAL A 28 8.734 7.546 -0.314 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.533 8.844 -0.465 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.237 7.868 -0.310 1.00 0.00 C ATOM 0 H VAL A 28 7.810 5.232 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 28 8.653 7.035 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 28 9.008 7.061 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.309 9.509 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.599 8.616 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.261 9.332 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.010 8.535 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.967 8.353 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.667 6.946 -0.201 1.00 0.00 H new ATOM 422 N SER A 29 11.089 5.345 -1.137 1.00 0.00 N ATOM 423 CA SER A 29 12.565 5.113 -1.220 1.00 0.00 C ATOM 424 C SER A 29 12.911 4.446 -2.541 1.00 0.00 C ATOM 425 O SER A 29 14.042 4.467 -2.988 1.00 0.00 O ATOM 426 CB SER A 29 12.955 4.187 -0.062 1.00 0.00 C ATOM 427 OG SER A 29 13.591 3.011 -0.558 1.00 0.00 O ATOM 0 H SER A 29 10.560 4.598 -0.687 1.00 0.00 H new ATOM 0 HA SER A 29 13.102 6.059 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.625 4.710 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.067 3.915 0.509 1.00 0.00 H new ATOM 0 HG SER A 29 13.835 2.430 0.192 1.00 0.00 H new ATOM 433 N ASN A 30 11.929 3.876 -3.191 1.00 0.00 N ATOM 434 CA ASN A 30 12.160 3.226 -4.508 1.00 0.00 C ATOM 435 C ASN A 30 11.450 4.043 -5.579 1.00 0.00 C ATOM 436 O ASN A 30 11.365 3.639 -6.724 1.00 0.00 O ATOM 437 CB ASN A 30 11.590 1.814 -4.470 1.00 0.00 C ATOM 438 CG ASN A 30 12.513 0.921 -3.644 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.179 0.055 -4.171 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.581 1.105 -2.350 1.00 0.00 N ATOM 0 H ASN A 30 10.966 3.835 -2.858 1.00 0.00 H new ATOM 0 HA ASN A 30 13.226 3.176 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.590 1.824 -4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.494 1.421 -5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.195 0.520 -1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.020 1.834 -1.908 1.00 0.00 H new ATOM 447 N GLY A 31 11.013 5.233 -5.247 1.00 0.00 N ATOM 448 CA GLY A 31 10.397 6.111 -6.294 1.00 0.00 C ATOM 449 C GLY A 31 9.055 5.553 -6.769 1.00 0.00 C ATOM 450 O GLY A 31 8.828 5.469 -7.961 1.00 0.00 O ATOM 0 H GLY A 31 11.054 5.632 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.254 7.114 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.076 6.201 -7.142 1.00 0.00 H new ATOM 454 N ILE A 32 8.178 5.129 -5.890 1.00 0.00 N ATOM 455 CA ILE A 32 6.876 4.532 -6.364 1.00 0.00 C ATOM 456 C ILE A 32 5.641 5.342 -5.959 1.00 0.00 C ATOM 457 O ILE A 32 4.948 5.884 -6.799 1.00 0.00 O ATOM 458 CB ILE A 32 6.743 3.129 -5.777 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.088 2.409 -5.862 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.688 2.335 -6.553 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.904 0.956 -5.428 1.00 0.00 C ATOM 0 H ILE A 32 8.299 5.167 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 32 6.911 4.526 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 32 6.436 3.207 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.474 2.451 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.820 2.903 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.599 1.335 -6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.727 2.844 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.986 2.259 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.860 0.435 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.536 0.926 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.185 0.468 -6.086 1.00 0.00 H new ATOM 616 N CYS A 45 -3.933 11.353 5.315 1.00 0.00 N ATOM 617 CA CYS A 45 -4.475 11.614 3.943 1.00 0.00 C ATOM 618 C CYS A 45 -4.999 10.309 3.344 1.00 0.00 C ATOM 619 O CYS A 45 -5.128 9.307 4.013 1.00 0.00 O ATOM 620 CB CYS A 45 -3.371 12.192 3.040 1.00 0.00 C ATOM 621 SG CYS A 45 -2.340 10.863 2.347 1.00 0.00 S ATOM 0 HA CYS A 45 -5.289 12.335 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.821 12.768 2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.749 12.879 3.613 1.00 0.00 H new ATOM 0 HG CYS A 45 -1.419 11.379 1.588 1.00 0.00 H new ATOM 626 N ALA A 46 -5.292 10.322 2.066 1.00 0.00 N ATOM 627 CA ALA A 46 -5.802 9.097 1.382 1.00 0.00 C ATOM 628 C ALA A 46 -5.056 8.935 0.050 1.00 0.00 C ATOM 629 O ALA A 46 -5.418 8.129 -0.780 1.00 0.00 O ATOM 630 CB ALA A 46 -7.319 9.250 1.145 1.00 0.00 C ATOM 0 H ALA A 46 -5.198 11.139 1.463 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.633 8.211 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.701 8.360 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.826 9.375 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.503 10.124 0.520 1.00 0.00 H new ATOM 636 N THR A 47 -4.013 9.698 -0.144 1.00 0.00 N ATOM 637 CA THR A 47 -3.236 9.592 -1.410 1.00 0.00 C ATOM 638 C THR A 47 -2.647 8.186 -1.528 1.00 0.00 C ATOM 639 O THR A 47 -2.335 7.716 -2.597 1.00 0.00 O ATOM 640 CB THR A 47 -2.104 10.628 -1.404 1.00 0.00 C ATOM 641 OG1 THR A 47 -2.660 11.932 -1.484 1.00 0.00 O ATOM 642 CG2 THR A 47 -1.174 10.397 -2.594 1.00 0.00 C ATOM 0 H THR A 47 -3.667 10.390 0.521 1.00 0.00 H new ATOM 0 HA THR A 47 -3.893 9.781 -2.259 1.00 0.00 H new ATOM 0 HB THR A 47 -1.532 10.527 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.939 12.596 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.374 11.138 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.744 9.397 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.739 10.491 -3.521 1.00 0.00 H new ATOM 650 N CYS A 48 -2.493 7.513 -0.418 1.00 0.00 N ATOM 651 CA CYS A 48 -1.923 6.137 -0.447 1.00 0.00 C ATOM 652 C CYS A 48 -3.018 5.116 -0.782 1.00 0.00 C ATOM 653 O CYS A 48 -3.033 4.022 -0.266 1.00 0.00 O ATOM 654 CB CYS A 48 -1.317 5.814 0.916 1.00 0.00 C ATOM 655 SG CYS A 48 -2.504 6.213 2.224 1.00 0.00 S ATOM 0 H CYS A 48 -2.739 7.860 0.509 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.150 6.086 -1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.049 4.758 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.398 6.383 1.060 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.930 6.089 3.384 1.00 0.00 H new ATOM 660 N HIS A 49 -3.930 5.471 -1.648 1.00 0.00 N ATOM 661 CA HIS A 49 -5.032 4.533 -2.036 1.00 0.00 C ATOM 662 C HIS A 49 -4.456 3.392 -2.889 1.00 0.00 C ATOM 663 O HIS A 49 -4.023 3.615 -4.008 1.00 0.00 O ATOM 664 CB HIS A 49 -6.052 5.344 -2.850 1.00 0.00 C ATOM 665 CG HIS A 49 -7.017 4.459 -3.608 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.934 3.612 -2.992 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.234 4.323 -4.941 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.648 3.008 -3.975 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.252 3.412 -5.174 1.00 0.00 N ATOM 0 H HIS A 49 -3.961 6.380 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.507 4.096 -1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.611 5.997 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.523 5.987 -3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.690 4.850 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.437 2.291 -3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.619 3.115 -6.078 1.00 0.00 H new ATOM 678 N VAL A 50 -4.462 2.163 -2.402 1.00 0.00 N ATOM 679 CA VAL A 50 -3.928 1.023 -3.228 1.00 0.00 C ATOM 680 C VAL A 50 -4.812 -0.197 -3.007 1.00 0.00 C ATOM 681 O VAL A 50 -5.702 -0.191 -2.177 1.00 0.00 O ATOM 682 CB VAL A 50 -2.463 0.683 -2.833 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.778 1.921 -2.270 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.401 -0.438 -1.779 1.00 0.00 C ATOM 0 H VAL A 50 -4.810 1.904 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.936 1.314 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.954 0.341 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.752 1.676 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.774 2.709 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.317 2.266 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.360 -0.646 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.933 -0.123 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.866 -1.339 -2.179 1.00 0.00 H new ATOM 694 N TYR A 51 -4.563 -1.246 -3.737 1.00 0.00 N ATOM 695 CA TYR A 51 -5.357 -2.486 -3.597 1.00 0.00 C ATOM 696 C TYR A 51 -4.410 -3.641 -3.229 1.00 0.00 C ATOM 697 O TYR A 51 -3.610 -4.100 -4.023 1.00 0.00 O ATOM 698 CB TYR A 51 -6.040 -2.732 -4.929 1.00 0.00 C ATOM 699 CG TYR A 51 -7.050 -1.629 -5.178 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.247 -1.562 -4.443 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.779 -0.650 -6.148 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.156 -0.526 -4.681 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.690 0.372 -6.375 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.869 0.438 -5.654 1.00 0.00 C ATOM 705 OH TYR A 51 -9.750 1.457 -5.914 1.00 0.00 O ATOM 0 H TYR A 51 -3.825 -1.292 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.109 -2.406 -2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.303 -2.755 -5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.536 -3.703 -4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.464 -2.310 -3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.862 -0.693 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.075 -0.470 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.477 1.123 -7.121 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.523 1.381 -5.317 1.00 0.00 H new ATOM 715 N VAL A 52 -4.530 -4.104 -2.017 1.00 0.00 N ATOM 716 CA VAL A 52 -3.680 -5.236 -1.539 1.00 0.00 C ATOM 717 C VAL A 52 -4.378 -6.546 -1.869 1.00 0.00 C ATOM 718 O VAL A 52 -5.556 -6.715 -1.622 1.00 0.00 O ATOM 719 CB VAL A 52 -3.481 -5.168 -0.013 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.735 -6.423 0.455 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.665 -3.924 0.354 1.00 0.00 C ATOM 0 H VAL A 52 -5.188 -3.743 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.709 -5.171 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.454 -5.112 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.592 -6.380 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.318 -7.308 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.764 -6.474 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.529 -3.884 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.691 -3.971 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.194 -3.031 0.021 1.00 0.00 H new ATOM 731 N ASN A 53 -3.664 -7.484 -2.420 1.00 0.00 N ATOM 732 CA ASN A 53 -4.308 -8.783 -2.738 1.00 0.00 C ATOM 733 C ASN A 53 -4.998 -9.304 -1.466 1.00 0.00 C ATOM 734 O ASN A 53 -4.376 -9.456 -0.439 1.00 0.00 O ATOM 735 CB ASN A 53 -3.235 -9.784 -3.229 1.00 0.00 C ATOM 736 CG ASN A 53 -3.317 -9.974 -4.758 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.023 -9.259 -5.441 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.610 -10.915 -5.322 1.00 0.00 N ATOM 0 H ASN A 53 -2.676 -7.409 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.049 -8.662 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.243 -9.423 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.373 -10.744 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.651 -11.048 -6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.016 -11.517 -4.752 1.00 0.00 H new ATOM 745 N GLU A 54 -6.284 -9.525 -1.530 1.00 0.00 N ATOM 746 CA GLU A 54 -7.053 -9.998 -0.329 1.00 0.00 C ATOM 747 C GLU A 54 -6.352 -11.174 0.361 1.00 0.00 C ATOM 748 O GLU A 54 -6.848 -11.690 1.347 1.00 0.00 O ATOM 749 CB GLU A 54 -8.446 -10.448 -0.778 1.00 0.00 C ATOM 750 CG GLU A 54 -8.320 -11.435 -1.944 1.00 0.00 C ATOM 751 CD GLU A 54 -9.681 -12.081 -2.209 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.335 -12.463 -1.254 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.046 -12.184 -3.369 1.00 0.00 O ATOM 0 H GLU A 54 -6.846 -9.398 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.119 -9.174 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.972 -10.917 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.037 -9.584 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.970 -10.918 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.581 -12.201 -1.709 1.00 0.00 H new ATOM 760 N ALA A 55 -5.219 -11.613 -0.115 1.00 0.00 N ATOM 761 CA ALA A 55 -4.524 -12.759 0.539 1.00 0.00 C ATOM 762 C ALA A 55 -3.587 -12.277 1.660 1.00 0.00 C ATOM 763 O ALA A 55 -3.160 -13.068 2.475 1.00 0.00 O ATOM 764 CB ALA A 55 -3.702 -13.517 -0.497 1.00 0.00 C ATOM 0 H ALA A 55 -4.743 -11.227 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.283 -13.410 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.195 -14.354 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.361 -13.892 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.962 -12.847 -0.935 1.00 0.00 H new ATOM 770 N PHE A 56 -3.248 -11.009 1.724 1.00 0.00 N ATOM 771 CA PHE A 56 -2.329 -10.500 2.792 1.00 0.00 C ATOM 772 C PHE A 56 -3.107 -9.504 3.655 1.00 0.00 C ATOM 773 O PHE A 56 -2.642 -9.046 4.674 1.00 0.00 O ATOM 774 CB PHE A 56 -1.184 -9.795 2.078 1.00 0.00 C ATOM 775 CG PHE A 56 -0.318 -10.842 1.409 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.617 -11.302 0.121 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.769 -11.373 2.103 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.178 -12.296 -0.459 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.566 -12.356 1.528 1.00 0.00 C ATOM 780 CZ PHE A 56 1.271 -12.825 0.233 1.00 0.00 C ATOM 0 H PHE A 56 -3.575 -10.296 1.071 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.948 -11.298 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.573 -9.095 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.595 -9.214 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.456 -10.892 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.994 -11.017 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.055 -12.658 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.408 -12.758 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.885 -13.588 -0.222 1.00 0.00 H new ATOM 790 N THR A 57 -4.295 -9.169 3.225 1.00 0.00 N ATOM 791 CA THR A 57 -5.142 -8.198 3.981 1.00 0.00 C ATOM 792 C THR A 57 -5.647 -8.822 5.281 1.00 0.00 C ATOM 793 O THR A 57 -5.703 -8.173 6.312 1.00 0.00 O ATOM 794 CB THR A 57 -6.361 -7.807 3.138 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.034 -8.983 2.715 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.919 -7.004 1.918 1.00 0.00 C ATOM 0 H THR A 57 -4.720 -9.531 2.371 1.00 0.00 H new ATOM 0 HA THR A 57 -4.533 -7.322 4.205 1.00 0.00 H new ATOM 0 HB THR A 57 -7.032 -7.194 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.896 -8.741 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.793 -6.731 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.405 -6.100 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.243 -7.607 1.311 1.00 0.00 H new ATOM 804 N ASP A 58 -6.033 -10.068 5.260 1.00 0.00 N ATOM 805 CA ASP A 58 -6.549 -10.707 6.497 1.00 0.00 C ATOM 806 C ASP A 58 -5.384 -11.185 7.356 1.00 0.00 C ATOM 807 O ASP A 58 -5.567 -11.663 8.453 1.00 0.00 O ATOM 808 CB ASP A 58 -7.440 -11.899 6.140 1.00 0.00 C ATOM 809 CG ASP A 58 -6.606 -12.976 5.444 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.782 -12.618 4.620 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.808 -14.141 5.743 1.00 0.00 O ATOM 0 H ASP A 58 -6.012 -10.670 4.437 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.135 -9.975 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.898 -12.306 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.252 -11.576 5.488 1.00 0.00 H new ATOM 816 N LYS A 59 -4.187 -11.062 6.850 1.00 0.00 N ATOM 817 CA LYS A 59 -2.992 -11.511 7.617 1.00 0.00 C ATOM 818 C LYS A 59 -2.282 -10.287 8.213 1.00 0.00 C ATOM 819 O LYS A 59 -1.860 -10.302 9.354 1.00 0.00 O ATOM 820 CB LYS A 59 -2.063 -12.286 6.675 1.00 0.00 C ATOM 821 CG LYS A 59 -2.909 -13.010 5.611 1.00 0.00 C ATOM 822 CD LYS A 59 -2.036 -14.014 4.832 1.00 0.00 C ATOM 823 CE LYS A 59 -2.918 -15.103 4.187 1.00 0.00 C ATOM 824 NZ LYS A 59 -3.028 -16.261 5.119 1.00 0.00 N ATOM 0 H LYS A 59 -3.985 -10.667 5.932 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.286 -12.167 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.360 -11.604 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.472 -13.007 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.739 -13.532 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.342 -12.283 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.469 -13.492 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.311 -14.474 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.908 -14.703 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.486 -15.424 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.622 -16.998 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.081 -16.646 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.458 -15.948 6.012 1.00 0.00 H new ATOM 838 N VAL A 60 -2.160 -9.222 7.468 1.00 0.00 N ATOM 839 CA VAL A 60 -1.492 -8.001 8.015 1.00 0.00 C ATOM 840 C VAL A 60 -2.473 -7.383 9.033 1.00 0.00 C ATOM 841 O VAL A 60 -3.642 -7.713 9.037 1.00 0.00 O ATOM 842 CB VAL A 60 -1.122 -7.058 6.820 1.00 0.00 C ATOM 843 CG1 VAL A 60 -2.012 -5.802 6.782 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.396 -6.665 6.811 1.00 0.00 C ATOM 0 H VAL A 60 -2.492 -9.142 6.507 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.556 -8.207 8.534 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.312 -7.633 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.722 -5.176 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.055 -6.098 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.890 -5.241 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.598 -6.011 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.643 -6.145 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.004 -7.565 6.728 1.00 0.00 H new ATOM 854 N PRO A 61 -2.001 -6.558 9.943 1.00 0.00 N ATOM 855 CA PRO A 61 -2.869 -5.984 11.019 1.00 0.00 C ATOM 856 C PRO A 61 -4.087 -5.204 10.494 1.00 0.00 C ATOM 857 O PRO A 61 -3.962 -4.182 9.845 1.00 0.00 O ATOM 858 CB PRO A 61 -1.928 -5.086 11.855 1.00 0.00 C ATOM 859 CG PRO A 61 -0.661 -4.935 11.059 1.00 0.00 C ATOM 860 CD PRO A 61 -0.612 -6.080 10.035 1.00 0.00 C ATOM 0 HA PRO A 61 -3.319 -6.783 11.608 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.385 -4.115 12.044 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.724 -5.536 12.826 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.640 -3.969 10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.209 -4.971 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.248 -5.732 9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.059 -6.874 10.361 1.00 0.00 H new ATOM 868 N ALA A 62 -5.264 -5.708 10.792 1.00 0.00 N ATOM 869 CA ALA A 62 -6.530 -5.074 10.358 1.00 0.00 C ATOM 870 C ALA A 62 -6.423 -3.564 10.409 1.00 0.00 C ATOM 871 O ALA A 62 -6.010 -2.971 11.390 1.00 0.00 O ATOM 872 CB ALA A 62 -7.662 -5.525 11.284 1.00 0.00 C ATOM 0 H ALA A 62 -5.391 -6.561 11.337 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.735 -5.376 9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.597 -5.061 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.761 -6.609 11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.436 -5.226 12.308 1.00 0.00 H new ATOM 878 N ALA A 63 -6.806 -2.957 9.351 1.00 0.00 N ATOM 879 CA ALA A 63 -6.766 -1.472 9.260 1.00 0.00 C ATOM 880 C ALA A 63 -7.592 -0.851 10.390 1.00 0.00 C ATOM 881 O ALA A 63 -8.624 -1.360 10.777 1.00 0.00 O ATOM 882 CB ALA A 63 -7.340 -1.036 7.912 1.00 0.00 C ATOM 0 H ALA A 63 -7.157 -3.426 8.516 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.733 -1.135 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.313 0.051 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.746 -1.468 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.371 -1.380 7.827 1.00 0.00 H new ATOM 888 N ASN A 64 -7.111 0.229 10.946 1.00 0.00 N ATOM 889 CA ASN A 64 -7.838 0.869 12.092 1.00 0.00 C ATOM 890 C ASN A 64 -8.946 1.789 11.573 1.00 0.00 C ATOM 891 O ASN A 64 -8.982 2.176 10.426 1.00 0.00 O ATOM 892 CB ASN A 64 -6.868 1.680 12.954 1.00 0.00 C ATOM 893 CG ASN A 64 -5.882 2.431 12.061 1.00 0.00 C ATOM 894 OD1 ASN A 64 -6.148 2.656 10.903 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.746 2.835 12.561 1.00 0.00 N ATOM 0 H ASN A 64 -6.251 0.697 10.661 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.281 0.078 12.698 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.421 2.386 13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.328 1.018 13.630 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.082 3.341 11.975 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.522 2.645 13.538 1.00 0.00 H new ATOM 902 N GLU A 65 -9.854 2.122 12.446 1.00 0.00 N ATOM 903 CA GLU A 65 -10.999 2.996 12.070 1.00 0.00 C ATOM 904 C GLU A 65 -10.512 4.300 11.447 1.00 0.00 C ATOM 905 O GLU A 65 -11.278 5.016 10.834 1.00 0.00 O ATOM 906 CB GLU A 65 -11.815 3.319 13.321 1.00 0.00 C ATOM 907 CG GLU A 65 -10.943 4.103 14.312 1.00 0.00 C ATOM 908 CD GLU A 65 -11.598 4.101 15.691 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.566 4.824 15.866 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.121 3.379 16.551 1.00 0.00 O ATOM 0 H GLU A 65 -9.851 1.820 13.420 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.611 2.467 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.695 3.903 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.172 2.399 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.951 3.656 14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.811 5.127 13.963 1.00 0.00 H new ATOM 917 N ARG A 66 -9.262 4.638 11.588 1.00 0.00 N ATOM 918 CA ARG A 66 -8.779 5.907 10.989 1.00 0.00 C ATOM 919 C ARG A 66 -8.671 5.766 9.470 1.00 0.00 C ATOM 920 O ARG A 66 -8.963 6.685 8.730 1.00 0.00 O ATOM 921 CB ARG A 66 -7.394 6.214 11.568 1.00 0.00 C ATOM 922 CG ARG A 66 -7.464 6.285 13.112 1.00 0.00 C ATOM 923 CD ARG A 66 -6.063 6.114 13.755 1.00 0.00 C ATOM 924 NE ARG A 66 -5.677 7.396 14.422 1.00 0.00 N ATOM 925 CZ ARG A 66 -4.438 7.834 14.393 1.00 0.00 C ATOM 926 NH1 ARG A 66 -3.494 7.146 13.808 1.00 0.00 N ATOM 927 NH2 ARG A 66 -4.146 8.966 14.980 1.00 0.00 N ATOM 0 H ARG A 66 -8.560 4.094 12.089 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.478 6.712 11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.686 5.443 11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.027 7.160 11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.889 7.242 13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.133 5.508 13.483 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.078 5.301 14.481 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.329 5.849 12.994 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.389 7.941 14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.713 6.254 13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.538 7.501 13.795 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.876 9.498 15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.188 9.316 14.964 1.00 0.00 H new ATOM 941 N GLU A 67 -8.238 4.629 8.999 1.00 0.00 N ATOM 942 CA GLU A 67 -8.087 4.429 7.526 1.00 0.00 C ATOM 943 C GLU A 67 -9.454 4.215 6.874 1.00 0.00 C ATOM 944 O GLU A 67 -9.732 4.738 5.815 1.00 0.00 O ATOM 945 CB GLU A 67 -7.204 3.203 7.275 1.00 0.00 C ATOM 946 CG GLU A 67 -5.841 3.400 7.950 1.00 0.00 C ATOM 947 CD GLU A 67 -5.147 2.046 8.123 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.028 1.333 7.138 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.746 1.743 9.236 1.00 0.00 O ATOM 0 H GLU A 67 -7.981 3.825 9.572 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.627 5.316 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.688 2.308 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.071 3.052 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.219 4.063 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.971 3.879 8.921 1.00 0.00 H new ATOM 956 N ILE A 68 -10.313 3.453 7.499 1.00 0.00 N ATOM 957 CA ILE A 68 -11.663 3.215 6.905 1.00 0.00 C ATOM 958 C ILE A 68 -12.295 4.573 6.579 1.00 0.00 C ATOM 959 O ILE A 68 -13.024 4.714 5.620 1.00 0.00 O ATOM 960 CB ILE A 68 -12.532 2.438 7.922 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.201 0.935 7.862 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.025 2.625 7.612 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.685 0.711 7.893 1.00 0.00 C ATOM 0 H ILE A 68 -10.140 2.987 8.390 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.587 2.626 5.991 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.316 2.828 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.666 0.421 8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.619 0.502 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.620 2.071 8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.278 3.684 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.238 2.253 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.474 -0.358 7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.226 1.206 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.275 1.125 8.814 1.00 0.00 H new ATOM 975 N GLY A 69 -12.022 5.569 7.373 1.00 0.00 N ATOM 976 CA GLY A 69 -12.609 6.916 7.119 1.00 0.00 C ATOM 977 C GLY A 69 -11.808 7.639 6.036 1.00 0.00 C ATOM 978 O GLY A 69 -12.355 8.396 5.254 1.00 0.00 O ATOM 0 H GLY A 69 -11.415 5.509 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.649 6.816 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.606 7.502 8.038 1.00 0.00 H new ATOM 982 N MET A 70 -10.527 7.399 5.945 1.00 0.00 N ATOM 983 CA MET A 70 -9.724 8.059 4.884 1.00 0.00 C ATOM 984 C MET A 70 -9.949 7.287 3.592 1.00 0.00 C ATOM 985 O MET A 70 -9.991 7.839 2.506 1.00 0.00 O ATOM 986 CB MET A 70 -8.238 8.018 5.241 1.00 0.00 C ATOM 987 CG MET A 70 -7.981 8.932 6.442 1.00 0.00 C ATOM 988 SD MET A 70 -6.220 8.880 6.874 1.00 0.00 S ATOM 989 CE MET A 70 -6.367 8.076 8.495 1.00 0.00 C ATOM 0 H MET A 70 -10.006 6.775 6.560 1.00 0.00 H new ATOM 0 HA MET A 70 -10.026 9.101 4.779 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.936 6.997 5.475 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.639 8.340 4.389 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.279 9.954 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.585 8.613 7.292 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.466 8.265 9.078 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.232 8.477 9.023 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.492 7.002 8.358 1.00 0.00 H new ATOM 999 N LEU A 71 -10.103 6.000 3.716 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.339 5.145 2.522 1.00 0.00 C ATOM 1001 C LEU A 71 -11.626 5.607 1.835 1.00 0.00 C ATOM 1002 O LEU A 71 -11.768 5.506 0.635 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.464 3.681 2.996 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.092 2.975 2.921 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.079 1.776 3.880 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.825 2.478 1.494 1.00 0.00 C ATOM 0 H LEU A 71 -10.075 5.499 4.604 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.517 5.222 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.839 3.653 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.188 3.151 2.376 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.316 3.687 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.111 1.278 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.253 2.123 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.864 1.075 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.855 1.983 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.604 1.773 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.827 3.325 0.808 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.559 6.131 2.577 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.823 6.617 1.963 1.00 0.00 C ATOM 1020 C GLU A 72 -13.566 8.008 1.370 1.00 0.00 C ATOM 1021 O GLU A 72 -14.374 8.563 0.655 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.904 6.688 3.053 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.163 7.383 2.522 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.612 6.715 1.217 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.318 5.723 1.304 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.243 7.205 0.166 1.00 0.00 O ATOM 0 H GLU A 72 -12.499 6.244 3.589 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.160 5.945 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.153 5.682 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.521 7.230 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.960 7.328 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.961 8.440 2.350 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.422 8.565 1.673 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.067 9.924 1.153 1.00 0.00 C ATOM 1035 C CYS A 73 -11.123 9.806 -0.050 1.00 0.00 C ATOM 1036 O CYS A 73 -10.582 10.794 -0.507 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.390 10.736 2.292 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.345 12.238 2.643 1.00 0.00 S ATOM 0 H CYS A 73 -11.711 8.134 2.264 1.00 0.00 H new ATOM 0 HA CYS A 73 -12.971 10.437 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.317 10.124 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.373 11.002 2.004 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.769 12.905 3.598 1.00 0.00 H new ATOM 1044 N VAL A 74 -10.917 8.628 -0.589 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.008 8.516 -1.776 1.00 0.00 C ATOM 1046 C VAL A 74 -10.747 8.978 -3.032 1.00 0.00 C ATOM 1047 O VAL A 74 -11.942 9.208 -3.011 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.557 7.069 -1.954 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -8.887 6.577 -0.675 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.761 6.188 -2.268 1.00 0.00 C ATOM 0 H VAL A 74 -11.330 7.753 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.133 9.145 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.846 7.016 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.567 5.543 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.020 7.200 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.595 6.635 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.434 5.156 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.477 6.244 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.235 6.533 -3.187 1.00 0.00 H new ATOM 1060 N THR A 75 -10.044 9.144 -4.120 1.00 0.00 N ATOM 1061 CA THR A 75 -10.698 9.623 -5.370 1.00 0.00 C ATOM 1062 C THR A 75 -11.126 8.452 -6.267 1.00 0.00 C ATOM 1063 O THR A 75 -11.931 8.635 -7.160 1.00 0.00 O ATOM 1064 CB THR A 75 -9.712 10.502 -6.144 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.308 11.583 -5.314 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.382 11.045 -7.408 1.00 0.00 C ATOM 0 H THR A 75 -9.042 8.968 -4.196 1.00 0.00 H new ATOM 0 HA THR A 75 -11.588 10.187 -5.093 1.00 0.00 H new ATOM 0 HB THR A 75 -8.842 9.912 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.917 12.340 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.676 11.670 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.695 10.214 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.253 11.639 -7.132 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.604 7.258 -6.069 1.00 0.00 N ATOM 1075 CA ALA A 76 -11.001 6.111 -6.960 1.00 0.00 C ATOM 1076 C ALA A 76 -12.052 5.229 -6.255 1.00 0.00 C ATOM 1077 O ALA A 76 -12.528 5.543 -5.178 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.748 5.281 -7.276 1.00 0.00 C ATOM 0 H ALA A 76 -9.929 7.030 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.437 6.494 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.018 4.445 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.014 5.908 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.321 4.900 -6.349 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.440 4.147 -6.886 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.492 3.232 -6.327 1.00 0.00 C ATOM 1086 C GLU A 77 -12.920 2.340 -5.210 1.00 0.00 C ATOM 1087 O GLU A 77 -11.889 1.736 -5.358 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.027 2.396 -7.527 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.968 0.874 -7.301 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.930 0.472 -6.185 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.410 1.356 -5.504 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.174 -0.713 -6.044 1.00 0.00 O ATOM 0 H GLU A 77 -12.064 3.851 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.302 3.796 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.059 2.684 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.449 2.644 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.228 0.351 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.952 0.576 -7.041 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.586 2.257 -4.089 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.059 1.400 -2.983 1.00 0.00 C ATOM 1101 C LEU A 78 -13.440 -0.057 -3.193 1.00 0.00 C ATOM 1102 O LEU A 78 -14.459 -0.391 -3.766 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.586 1.896 -1.617 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.484 1.707 -0.556 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.329 2.703 -0.812 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.070 1.899 0.850 1.00 0.00 C ATOM 0 H LEU A 78 -14.463 2.739 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.972 1.474 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.870 2.946 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.480 1.341 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.087 0.694 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.554 2.563 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.908 2.526 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.709 3.723 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.284 1.764 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.483 2.904 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.859 1.166 1.019 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.586 -0.918 -2.732 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.789 -2.379 -2.868 1.00 0.00 C ATOM 1120 C LYS A 79 -13.072 -2.961 -1.480 1.00 0.00 C ATOM 1121 O LYS A 79 -12.700 -2.383 -0.480 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.469 -2.953 -3.392 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.384 -2.845 -4.913 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.193 -3.969 -5.586 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.884 -3.985 -7.086 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.500 -5.191 -7.715 1.00 0.00 N ATOM 0 H LYS A 79 -11.725 -0.659 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.618 -2.615 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.633 -2.420 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.380 -3.998 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.763 -1.875 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.342 -2.901 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.941 -4.931 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.259 -3.812 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.270 -3.081 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.806 -3.991 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.288 -5.198 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.111 -6.049 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.530 -5.167 -7.576 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.692 -4.106 -1.401 1.00 0.00 N ATOM 1141 CA PRO A 80 -13.969 -4.756 -0.093 1.00 0.00 C ATOM 1142 C PRO A 80 -12.658 -4.957 0.671 1.00 0.00 C ATOM 1143 O PRO A 80 -12.614 -4.857 1.877 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.627 -6.103 -0.476 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.329 -6.301 -1.931 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.194 -4.903 -2.531 1.00 0.00 C ATOM 0 HA PRO A 80 -14.612 -4.168 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.222 -6.920 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.702 -6.079 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.411 -6.873 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.128 -6.859 -2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.502 -4.890 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.149 -4.527 -2.898 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.588 -5.238 -0.033 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.256 -5.446 0.610 1.00 0.00 C ATOM 1156 C ASN A 81 -9.295 -4.309 0.219 1.00 0.00 C ATOM 1157 O ASN A 81 -8.095 -4.494 0.184 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.684 -6.825 0.194 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.836 -6.727 -1.080 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.892 -7.473 -1.245 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.130 -5.839 -1.981 1.00 0.00 N ATOM 0 H ASN A 81 -11.584 -5.334 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.372 -5.433 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.077 -7.227 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.504 -7.525 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.568 -5.767 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.923 -5.213 -1.841 1.00 0.00 H new ATOM 1168 N SER A 82 -9.802 -3.127 -0.039 1.00 0.00 N ATOM 1169 CA SER A 82 -8.908 -1.987 -0.382 1.00 0.00 C ATOM 1170 C SER A 82 -8.060 -1.648 0.840 1.00 0.00 C ATOM 1171 O SER A 82 -8.501 -1.782 1.964 1.00 0.00 O ATOM 1172 CB SER A 82 -9.763 -0.783 -0.765 1.00 0.00 C ATOM 1173 OG SER A 82 -9.373 -0.351 -2.055 1.00 0.00 O ATOM 0 H SER A 82 -10.798 -2.907 -0.026 1.00 0.00 H new ATOM 0 HA SER A 82 -8.260 -2.250 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.820 -1.050 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.633 0.021 -0.040 1.00 0.00 H new ATOM 0 HG SER A 82 -9.150 -1.129 -2.607 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.847 -1.229 0.628 1.00 0.00 N ATOM 1180 CA ARG A 83 -5.949 -0.908 1.779 1.00 0.00 C ATOM 1181 C ARG A 83 -5.069 0.290 1.441 1.00 0.00 C ATOM 1182 O ARG A 83 -4.996 0.736 0.314 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.048 -2.125 2.041 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.759 -3.140 2.957 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.454 -2.840 4.426 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.304 -3.729 5.284 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.795 -4.418 6.273 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -4.533 -4.301 6.597 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.563 -5.222 6.953 1.00 0.00 N ATOM 0 H ARG A 83 -6.433 -1.093 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.551 -0.672 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.787 -2.601 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.116 -1.801 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.835 -3.101 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.434 -4.151 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.398 -3.010 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.658 -1.793 4.648 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.303 -3.798 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.929 -3.665 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.153 -4.846 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.550 -5.309 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.177 -5.764 7.726 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.381 0.791 2.435 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.470 1.947 2.228 1.00 0.00 C ATOM 1205 C LEU A 84 -2.027 1.443 2.252 1.00 0.00 C ATOM 1206 O LEU A 84 -1.773 0.275 2.472 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.681 2.973 3.338 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.149 3.448 3.379 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.267 4.641 4.337 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.619 3.877 1.973 1.00 0.00 C ATOM 0 H LEU A 84 -4.415 0.440 3.392 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.680 2.420 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.409 2.536 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.023 3.827 3.179 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.776 2.625 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.302 4.980 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.953 4.338 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.630 5.453 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.656 4.209 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.993 4.694 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.540 3.032 1.289 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.085 2.309 1.985 1.00 0.00 N ATOM 1223 CA CYS A 85 0.352 1.892 1.947 1.00 0.00 C ATOM 1224 C CYS A 85 1.136 2.406 3.164 1.00 0.00 C ATOM 1225 O CYS A 85 2.246 1.976 3.404 1.00 0.00 O ATOM 1226 CB CYS A 85 0.971 2.478 0.673 1.00 0.00 C ATOM 1227 SG CYS A 85 2.645 1.841 0.453 1.00 0.00 S ATOM 0 H CYS A 85 -1.249 3.297 1.790 1.00 0.00 H new ATOM 0 HA CYS A 85 0.402 0.803 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.358 2.220 -0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.992 3.566 0.736 1.00 0.00 H new ATOM 0 HG CYS A 85 3.161 2.342 -0.630 1.00 0.00 H new ATOM 1233 N CYS A 86 0.603 3.346 3.912 1.00 0.00 N ATOM 1234 CA CYS A 86 1.373 3.900 5.080 1.00 0.00 C ATOM 1235 C CYS A 86 0.950 3.250 6.403 1.00 0.00 C ATOM 1236 O CYS A 86 1.652 3.360 7.392 1.00 0.00 O ATOM 1237 CB CYS A 86 1.160 5.414 5.145 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.590 5.782 5.423 1.00 0.00 S ATOM 0 H CYS A 86 -0.322 3.751 3.768 1.00 0.00 H new ATOM 0 HA CYS A 86 2.429 3.675 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.762 5.840 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.494 5.877 4.216 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.759 7.070 5.479 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.171 2.569 6.441 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.611 1.906 7.727 1.00 0.00 C ATOM 1245 C GLN A 87 -0.458 0.382 7.593 1.00 0.00 C ATOM 1246 O GLN A 87 -0.894 -0.376 8.438 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.072 2.265 8.011 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.171 3.750 8.381 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.500 3.996 9.739 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.226 3.995 10.821 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -0.305 4.199 9.811 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.800 2.440 5.649 1.00 0.00 H new ATOM 0 HA GLN A 87 0.008 2.256 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.686 2.056 7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.457 1.650 8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.692 4.358 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.217 4.055 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.264 4.200 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.130 4.369 10.718 1.00 0.00 H new ATOM 1260 N ILE A 88 0.178 -0.057 6.538 1.00 0.00 N ATOM 1261 CA ILE A 88 0.395 -1.531 6.323 1.00 0.00 C ATOM 1262 C ILE A 88 1.848 -1.879 6.711 1.00 0.00 C ATOM 1263 O ILE A 88 2.784 -1.377 6.135 1.00 0.00 O ATOM 1264 CB ILE A 88 0.109 -1.887 4.843 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.406 -2.069 4.629 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.818 -3.194 4.462 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.169 -0.881 5.223 1.00 0.00 C ATOM 0 H ILE A 88 0.562 0.542 5.807 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.285 -2.112 6.946 1.00 0.00 H new ATOM 0 HB ILE A 88 0.479 -1.074 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.623 -2.155 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.738 -2.995 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.608 -3.431 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.893 -3.078 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.457 -4.002 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.239 -1.020 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.965 -0.815 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.847 0.039 4.735 1.00 0.00 H new ATOM 1279 N ILE A 89 2.027 -2.739 7.691 1.00 0.00 N ATOM 1280 CA ILE A 89 3.405 -3.131 8.147 1.00 0.00 C ATOM 1281 C ILE A 89 3.823 -4.445 7.484 1.00 0.00 C ATOM 1282 O ILE A 89 3.177 -5.463 7.631 1.00 0.00 O ATOM 1283 CB ILE A 89 3.401 -3.312 9.690 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.806 -1.999 10.377 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.380 -4.424 10.135 1.00 0.00 C ATOM 1286 CD1 ILE A 89 2.933 -0.844 9.878 1.00 0.00 C ATOM 0 H ILE A 89 1.268 -3.191 8.200 1.00 0.00 H new ATOM 0 HA ILE A 89 4.111 -2.350 7.866 1.00 0.00 H new ATOM 0 HB ILE A 89 2.390 -3.596 9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.704 -2.100 11.457 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.855 -1.784 10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.350 -4.522 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.089 -5.369 9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.391 -4.165 9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.232 0.079 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.057 -0.733 8.801 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.888 -1.054 10.103 1.00 0.00 H new ATOM 1298 N MET A 90 4.897 -4.424 6.750 1.00 0.00 N ATOM 1299 CA MET A 90 5.355 -5.660 6.083 1.00 0.00 C ATOM 1300 C MET A 90 5.988 -6.610 7.097 1.00 0.00 C ATOM 1301 O MET A 90 6.482 -6.204 8.131 1.00 0.00 O ATOM 1302 CB MET A 90 6.377 -5.295 4.999 1.00 0.00 C ATOM 1303 CG MET A 90 6.329 -6.339 3.886 1.00 0.00 C ATOM 1304 SD MET A 90 4.733 -6.207 3.034 1.00 0.00 S ATOM 1305 CE MET A 90 4.025 -7.826 3.457 1.00 0.00 C ATOM 0 H MET A 90 5.476 -3.600 6.586 1.00 0.00 H new ATOM 0 HA MET A 90 4.500 -6.162 5.630 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.158 -4.306 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.378 -5.250 5.428 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.147 -6.180 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.455 -7.339 4.300 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.970 -7.845 3.182 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.555 -8.608 2.914 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.124 -7.998 4.529 1.00 0.00 H new ATOM 1315 N THR A 91 5.977 -7.877 6.793 1.00 0.00 N ATOM 1316 CA THR A 91 6.579 -8.898 7.703 1.00 0.00 C ATOM 1317 C THR A 91 7.009 -10.093 6.840 1.00 0.00 C ATOM 1318 O THR A 91 6.408 -10.359 5.814 1.00 0.00 O ATOM 1319 CB THR A 91 5.540 -9.356 8.744 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.247 -9.347 8.150 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.547 -8.422 9.949 1.00 0.00 C ATOM 0 H THR A 91 5.570 -8.257 5.939 1.00 0.00 H new ATOM 0 HA THR A 91 7.433 -8.478 8.234 1.00 0.00 H new ATOM 0 HB THR A 91 5.792 -10.363 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.583 -9.639 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.807 -8.759 10.675 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.535 -8.428 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.303 -7.410 9.626 1.00 0.00 H new ATOM 1329 N PRO A 92 8.047 -10.796 7.219 1.00 0.00 N ATOM 1330 CA PRO A 92 8.551 -11.957 6.425 1.00 0.00 C ATOM 1331 C PRO A 92 7.457 -13.004 6.154 1.00 0.00 C ATOM 1332 O PRO A 92 7.316 -13.491 5.050 1.00 0.00 O ATOM 1333 CB PRO A 92 9.694 -12.544 7.286 1.00 0.00 C ATOM 1334 CG PRO A 92 9.584 -11.892 8.633 1.00 0.00 C ATOM 1335 CD PRO A 92 8.850 -10.569 8.425 1.00 0.00 C ATOM 0 HA PRO A 92 8.887 -11.650 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.601 -13.627 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.665 -12.341 6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.039 -12.531 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.572 -11.723 9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.223 -10.321 9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.547 -9.742 8.291 1.00 0.00 H new ATOM 1343 N GLU A 93 6.689 -13.358 7.147 1.00 0.00 N ATOM 1344 CA GLU A 93 5.622 -14.377 6.913 1.00 0.00 C ATOM 1345 C GLU A 93 4.686 -13.871 5.809 1.00 0.00 C ATOM 1346 O GLU A 93 4.124 -14.635 5.055 1.00 0.00 O ATOM 1347 CB GLU A 93 4.837 -14.625 8.221 1.00 0.00 C ATOM 1348 CG GLU A 93 4.917 -13.391 9.125 1.00 0.00 C ATOM 1349 CD GLU A 93 3.878 -13.510 10.241 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.053 -14.358 11.102 1.00 0.00 O ATOM 1351 OE2 GLU A 93 2.923 -12.751 10.224 1.00 0.00 O ATOM 0 H GLU A 93 6.750 -12.993 8.098 1.00 0.00 H new ATOM 0 HA GLU A 93 6.070 -15.320 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.796 -14.851 7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.245 -15.493 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.916 -13.303 9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.739 -12.487 8.542 1.00 0.00 H new ATOM 1358 N LEU A 94 4.511 -12.582 5.736 1.00 0.00 N ATOM 1359 CA LEU A 94 3.606 -11.994 4.704 1.00 0.00 C ATOM 1360 C LEU A 94 4.398 -11.702 3.428 1.00 0.00 C ATOM 1361 O LEU A 94 3.926 -11.039 2.522 1.00 0.00 O ATOM 1362 CB LEU A 94 2.989 -10.708 5.286 1.00 0.00 C ATOM 1363 CG LEU A 94 2.172 -11.021 6.564 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.207 -9.875 6.831 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.355 -12.314 6.435 1.00 0.00 C ATOM 0 H LEU A 94 4.959 -11.903 6.351 1.00 0.00 H new ATOM 0 HA LEU A 94 2.809 -12.691 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.778 -9.994 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.344 -10.239 4.542 1.00 0.00 H new ATOM 0 HG LEU A 94 2.883 -11.146 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.628 -10.089 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.769 -8.952 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.532 -9.763 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.801 -12.488 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.656 -12.221 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.027 -13.152 6.252 1.00 0.00 H new ATOM 1377 N ASP A 95 5.600 -12.202 3.343 1.00 0.00 N ATOM 1378 CA ASP A 95 6.431 -11.975 2.127 1.00 0.00 C ATOM 1379 C ASP A 95 5.693 -12.457 0.865 1.00 0.00 C ATOM 1380 O ASP A 95 5.078 -13.505 0.849 1.00 0.00 O ATOM 1381 CB ASP A 95 7.735 -12.766 2.261 1.00 0.00 C ATOM 1382 CG ASP A 95 7.421 -14.262 2.338 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.320 -14.599 2.742 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.289 -15.047 1.990 1.00 0.00 O ATOM 0 H ASP A 95 6.045 -12.762 4.070 1.00 0.00 H new ATOM 0 HA ASP A 95 6.632 -10.908 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.384 -12.564 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.274 -12.450 3.155 1.00 0.00 H new ATOM 1389 N GLY A 96 5.777 -11.699 -0.186 1.00 0.00 N ATOM 1390 CA GLY A 96 5.119 -12.077 -1.483 1.00 0.00 C ATOM 1391 C GLY A 96 3.893 -11.196 -1.706 1.00 0.00 C ATOM 1392 O GLY A 96 3.162 -11.354 -2.661 1.00 0.00 O ATOM 0 H GLY A 96 6.282 -10.813 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.821 -11.957 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.827 -13.127 -1.463 1.00 0.00 H new ATOM 1396 N ILE A 97 3.624 -10.321 -0.781 1.00 0.00 N ATOM 1397 CA ILE A 97 2.392 -9.479 -0.884 1.00 0.00 C ATOM 1398 C ILE A 97 2.289 -8.763 -2.234 1.00 0.00 C ATOM 1399 O ILE A 97 3.230 -8.176 -2.728 1.00 0.00 O ATOM 1400 CB ILE A 97 2.357 -8.486 0.285 1.00 0.00 C ATOM 1401 CG1 ILE A 97 0.973 -7.816 0.374 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.464 -7.438 0.165 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.727 -6.777 -0.718 1.00 0.00 C ATOM 0 H ILE A 97 4.200 -10.149 0.043 1.00 0.00 H new ATOM 0 HA ILE A 97 1.522 -10.133 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 97 2.535 -9.042 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.202 -8.584 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.872 -7.338 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.408 -6.752 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.435 -7.933 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.339 -6.881 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.267 -6.346 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.476 -5.988 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.796 -7.254 -1.696 1.00 0.00 H new ATOM 1415 N VAL A 98 1.129 -8.836 -2.851 1.00 0.00 N ATOM 1416 CA VAL A 98 0.920 -8.186 -4.177 1.00 0.00 C ATOM 1417 C VAL A 98 0.078 -6.918 -3.997 1.00 0.00 C ATOM 1418 O VAL A 98 -1.067 -6.976 -3.598 1.00 0.00 O ATOM 1419 CB VAL A 98 0.181 -9.169 -5.085 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.326 -8.744 -6.552 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.772 -10.569 -4.893 1.00 0.00 C ATOM 0 H VAL A 98 0.313 -9.325 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 98 1.879 -7.916 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.877 -9.176 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.204 -9.451 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.096 -7.748 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.381 -8.730 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.250 -11.276 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.831 -10.556 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.657 -10.873 -3.853 1.00 0.00 H new ATOM 1431 N VAL A 99 0.643 -5.771 -4.279 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.098 -4.486 -4.110 1.00 0.00 C ATOM 1433 C VAL A 99 -0.539 -3.976 -5.477 1.00 0.00 C ATOM 1434 O VAL A 99 0.261 -3.813 -6.378 1.00 0.00 O ATOM 1435 CB VAL A 99 0.831 -3.416 -3.497 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.019 -2.337 -2.822 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.784 -4.021 -2.463 1.00 0.00 C ATOM 0 H VAL A 99 1.598 -5.670 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.955 -4.663 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 99 1.429 -2.987 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.633 -1.579 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.672 -1.873 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.624 -2.789 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.422 -3.238 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.206 -4.476 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.403 -4.781 -2.940 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.799 -3.723 -5.640 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.321 -3.217 -6.948 1.00 0.00 C ATOM 1449 C ASP A 100 -2.538 -1.705 -6.834 1.00 0.00 C ATOM 1450 O ASP A 100 -3.283 -1.227 -6.002 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.631 -3.960 -7.277 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.358 -5.100 -8.270 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.902 -6.145 -7.836 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.603 -4.904 -9.451 1.00 0.00 O ATOM 0 H ASP A 100 -2.508 -3.844 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.614 -3.401 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.070 -4.361 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.356 -3.265 -7.700 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.864 -0.954 -7.669 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.976 0.536 -7.648 1.00 0.00 C ATOM 1461 C VAL A 101 -2.818 1.016 -8.852 1.00 0.00 C ATOM 1462 O VAL A 101 -2.546 0.636 -9.972 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.565 1.135 -7.767 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.583 2.619 -7.370 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.407 0.361 -6.864 1.00 0.00 C ATOM 0 H VAL A 101 -1.228 -1.319 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.453 0.852 -6.721 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.233 1.054 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.422 3.032 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.258 3.164 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.926 2.716 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.405 0.790 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.073 0.428 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.433 -0.685 -7.170 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.819 1.845 -8.642 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.674 2.363 -9.760 1.00 0.00 C ATOM 1477 C PRO A 102 -4.067 3.575 -10.479 1.00 0.00 C ATOM 1478 O PRO A 102 -2.963 4.003 -10.208 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.951 2.789 -9.035 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.484 3.247 -7.700 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.267 2.380 -7.341 1.00 0.00 C ATOM 0 HA PRO A 102 -4.809 1.613 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.465 3.587 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.653 1.960 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.214 4.303 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.272 3.137 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.485 2.968 -6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.535 1.580 -6.651 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.828 4.148 -11.376 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.372 5.362 -12.111 1.00 0.00 C ATOM 1491 C ASP A 103 -4.857 6.586 -11.326 1.00 0.00 C ATOM 1492 O ASP A 103 -4.419 7.699 -11.537 1.00 0.00 O ATOM 1493 CB ASP A 103 -4.981 5.371 -13.514 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.888 3.968 -14.113 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -5.399 3.047 -13.497 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.307 3.837 -15.184 1.00 0.00 O ATOM 0 H ASP A 103 -5.759 3.820 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.286 5.373 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.022 5.692 -13.469 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.454 6.085 -14.147 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.775 6.361 -10.418 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.345 7.455 -9.588 1.00 0.00 C ATOM 1503 C ARG A 104 -6.037 7.123 -8.132 1.00 0.00 C ATOM 1504 O ARG A 104 -6.628 6.220 -7.584 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.880 7.472 -9.782 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.286 8.462 -10.886 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.223 9.913 -10.377 1.00 0.00 C ATOM 1508 NE ARG A 104 -6.859 10.463 -10.639 1.00 0.00 N ATOM 1509 CZ ARG A 104 -6.644 11.750 -10.569 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -7.634 12.563 -10.305 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -5.439 12.220 -10.782 1.00 0.00 N ATOM 0 H ARG A 104 -6.160 5.438 -10.217 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.928 8.423 -9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.228 6.472 -10.040 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.365 7.747 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.625 8.345 -11.745 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.296 8.236 -11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.976 10.521 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.444 9.947 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.093 9.832 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.572 12.192 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.468 13.568 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.674 11.582 -11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.266 13.224 -10.728 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.136 7.831 -7.487 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.820 7.527 -6.053 1.00 0.00 C ATOM 1527 C GLN A 105 -5.234 8.721 -5.196 1.00 0.00 C ATOM 1528 O GLN A 105 -5.317 8.634 -3.981 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.311 7.316 -5.905 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.879 6.091 -6.709 1.00 0.00 C ATOM 1531 CD GLN A 105 -2.984 6.397 -8.205 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -3.788 5.809 -8.907 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -2.201 7.299 -8.736 1.00 0.00 N ATOM 0 H GLN A 105 -4.608 8.604 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.353 6.630 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.775 8.199 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.055 7.182 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.855 5.819 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.508 5.237 -6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.526 7.795 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.265 7.507 -9.732 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.481 9.841 -5.813 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.877 11.055 -5.044 1.00 0.00 C ATOM 1544 C TRP A 106 -7.103 10.735 -4.184 1.00 0.00 C ATOM 1545 O TRP A 106 -7.603 11.642 -3.534 1.00 0.00 O ATOM 1546 CB TRP A 106 -6.208 12.208 -6.000 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.296 13.485 -5.219 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.447 14.094 -4.846 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.212 14.314 -4.707 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.138 15.239 -4.133 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.774 15.419 -4.021 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.810 14.213 -4.762 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.974 16.393 -3.421 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -3.002 15.191 -4.157 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.583 16.277 -3.490 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.517 9.588 -4.179 1.00 0.00 O ATOM 0 H TRP A 106 -5.426 9.970 -6.823 1.00 0.00 H new ATOM 0 HA TRP A 106 -5.047 11.356 -4.405 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.440 12.290 -6.769 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.151 12.014 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.444 13.743 -5.069 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.833 15.873 -3.738 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.352 13.379 -5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.426 17.229 -2.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.927 15.105 -4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -2.956 17.025 -3.029 1.00 0.00 H new