USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 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 92 THR OG1 : rot 180:sc= 0.061 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.63 K(o=0.69,f=-4.4!) USER MOD Set 2.1: A 34 SER OG : rot -87:sc= 2.11 USER MOD Set 2.2: A 61 THR OG1 : rot -147:sc= 1.12 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.824 K(o=2.9,f=1.4) USER MOD Set 3.2: A 60 GLN : amide:sc= 2.12 K(o=2.9,f=-1.3) USER MOD Set 4.1: A 11 ASN : amide:sc= -1.89! K(o=-3.1!,f=-2.4) USER MOD Set 4.2: A 13 CYS SG : rot -172:sc= -0.168 USER MOD Set 4.3: A 43 HIS : no HE2:sc= -1.74! X(o=-3.1!,f=-3.4) USER MOD Set 4.4: A 45 THR OG1 : rot 114:sc= 0.688 USER MOD Set 5.1: A 8 CYS SG : rot 134:sc= 0.66 USER MOD Set 5.2: A 15 SER OG : rot 108:sc= 0.586 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0475) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.122 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.98) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.2) USER MOD Single : A 5 MET CE :methyl -174:sc= -0.0481 (180deg=-0.0961) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -60:sc= 0.0922 USER MOD Single : A 17 MET CE :methyl -174:sc= -1.92 (180deg=-2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.205 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0196 USER MOD Single : A 35 CYS SG : rot 130:sc= -0.862 USER MOD Single : A 39 SER OG : rot 93:sc= 1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 161:sc= -1.32 (180deg=-2.67!) USER MOD Single : A 50 MET CE :methyl -161:sc= -0.24 (180deg=-0.379) USER MOD Single : A 58 SER OG : rot 78:sc= 1.27 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.2) USER MOD Single : A 69 ASN : amide:sc= 0.825 K(o=0.82,f=-0.0089) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 107:sc= 1.08 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.517 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.729 K(o=-0.73,f=-4.1!) USER MOD Single : A 107 GLN : amide:sc= 0.398 X(o=0.4,f=-0.068) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 114 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 118 GLN : amide:sc= 0.847 K(o=0.85,f=-4.5!) USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= 2.5 (180deg=2.34) USER MOD Single : A 125 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.2) USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.062 -0.428 0.223 1.00 0.00 N ATOM 2 CA MET A 1 2.035 0.160 -0.758 1.00 0.00 C ATOM 3 C MET A 1 3.044 -0.910 -1.223 1.00 0.00 C ATOM 4 O MET A 1 3.055 -2.007 -0.668 1.00 0.00 O ATOM 5 CB MET A 1 2.792 1.393 -0.179 1.00 0.00 C ATOM 6 CG MET A 1 1.924 2.544 0.350 1.00 0.00 C ATOM 7 SD MET A 1 0.627 3.163 -0.769 1.00 0.00 S ATOM 8 CE MET A 1 1.608 4.108 -1.969 1.00 0.00 C ATOM 0 H1 MET A 1 0.096 -0.340 -0.151 1.00 0.00 H new ATOM 0 H2 MET A 1 1.285 -1.433 0.373 1.00 0.00 H new ATOM 0 H3 MET A 1 1.131 0.081 1.127 1.00 0.00 H new ATOM 0 HA MET A 1 1.454 0.507 -1.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.434 1.049 0.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.445 1.788 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.449 2.216 1.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.580 3.376 0.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.972 4.411 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.019 4.994 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.423 3.487 -2.342 1.00 0.00 H new ATOM 18 N LYS A 2 3.927 -0.614 -2.200 1.00 0.00 N ATOM 19 CA LYS A 2 5.054 -1.512 -2.522 1.00 0.00 C ATOM 20 C LYS A 2 5.901 -1.662 -1.268 1.00 0.00 C ATOM 21 O LYS A 2 6.104 -0.681 -0.553 1.00 0.00 O ATOM 22 CB LYS A 2 5.873 -1.116 -3.784 1.00 0.00 C ATOM 23 CG LYS A 2 6.471 0.270 -3.886 1.00 0.00 C ATOM 24 CD LYS A 2 5.435 1.384 -4.144 1.00 0.00 C ATOM 25 CE LYS A 2 6.109 2.713 -4.507 1.00 0.00 C ATOM 26 NZ LYS A 2 5.145 3.677 -5.119 1.00 0.00 N ATOM 0 H LYS A 2 3.882 0.229 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 2 4.648 -2.480 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.690 -1.831 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.225 -1.255 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.006 0.492 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.206 0.279 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.769 1.081 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.818 1.520 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.546 3.155 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.928 2.527 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.613 4.596 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.824 3.311 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.326 3.796 -4.489 1.00 0.00 H new ATOM 40 N LYS A 3 6.350 -2.876 -0.974 1.00 0.00 N ATOM 41 CA LYS A 3 6.982 -3.201 0.305 1.00 0.00 C ATOM 42 C LYS A 3 8.443 -3.501 0.037 1.00 0.00 C ATOM 43 O LYS A 3 8.757 -4.131 -0.972 1.00 0.00 O ATOM 44 CB LYS A 3 6.254 -4.359 1.018 1.00 0.00 C ATOM 45 CG LYS A 3 4.714 -4.284 0.987 1.00 0.00 C ATOM 46 CD LYS A 3 3.978 -5.423 1.717 1.00 0.00 C ATOM 47 CE LYS A 3 4.572 -5.791 3.088 1.00 0.00 C ATOM 48 NZ LYS A 3 3.761 -6.813 3.802 1.00 0.00 N ATOM 0 H LYS A 3 6.287 -3.667 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 3 6.912 -2.356 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.565 -5.299 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.580 -4.386 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.405 -3.336 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.389 -4.274 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.935 -5.137 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.986 -6.309 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.586 -6.166 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.643 -4.894 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.032 -6.832 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.752 -6.575 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.931 -7.748 3.380 1.00 0.00 H new ATOM 62 N VAL A 4 9.317 -3.075 0.940 1.00 0.00 N ATOM 63 CA VAL A 4 10.758 -3.185 0.781 1.00 0.00 C ATOM 64 C VAL A 4 11.321 -3.966 1.958 1.00 0.00 C ATOM 65 O VAL A 4 10.742 -3.948 3.047 1.00 0.00 O ATOM 66 CB VAL A 4 11.425 -1.804 0.670 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.887 -1.956 0.209 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.672 -0.858 -0.283 1.00 0.00 C ATOM 0 H VAL A 4 9.038 -2.636 1.817 1.00 0.00 H new ATOM 0 HA VAL A 4 10.972 -3.712 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 4 11.394 -1.355 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.349 -0.972 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.435 -2.560 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.912 -2.444 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.186 0.102 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.641 -1.296 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.655 -0.710 0.080 1.00 0.00 H new ATOM 78 N MET A 5 12.478 -4.595 1.758 1.00 0.00 N ATOM 79 CA MET A 5 13.156 -5.372 2.768 1.00 0.00 C ATOM 80 C MET A 5 14.630 -5.023 2.694 1.00 0.00 C ATOM 81 O MET A 5 15.183 -5.008 1.591 1.00 0.00 O ATOM 82 CB MET A 5 12.932 -6.848 2.454 1.00 0.00 C ATOM 83 CG MET A 5 13.504 -7.761 3.541 1.00 0.00 C ATOM 84 SD MET A 5 12.873 -7.453 5.214 1.00 0.00 S ATOM 85 CE MET A 5 11.212 -8.157 5.055 1.00 0.00 C ATOM 0 H MET A 5 12.973 -4.572 0.866 1.00 0.00 H new ATOM 0 HA MET A 5 12.783 -5.163 3.770 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.864 -7.037 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.396 -7.089 1.498 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.291 -8.796 3.274 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.588 -7.651 3.552 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.644 -7.957 5.963 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.705 -7.704 4.203 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.286 -9.234 4.903 1.00 0.00 H new ATOM 95 N PHE A 6 15.256 -4.784 3.844 1.00 0.00 N ATOM 96 CA PHE A 6 16.663 -4.434 3.943 1.00 0.00 C ATOM 97 C PHE A 6 17.356 -5.568 4.702 1.00 0.00 C ATOM 98 O PHE A 6 17.048 -5.789 5.873 1.00 0.00 O ATOM 99 CB PHE A 6 16.844 -3.069 4.621 1.00 0.00 C ATOM 100 CG PHE A 6 16.281 -1.944 3.780 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.914 -1.647 3.865 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.070 -1.310 2.806 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.321 -0.772 2.950 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.484 -0.382 1.927 1.00 0.00 C ATOM 105 CZ PHE A 6 15.108 -0.110 1.994 1.00 0.00 C ATOM 0 H PHE A 6 14.787 -4.830 4.748 1.00 0.00 H new ATOM 0 HA PHE A 6 17.114 -4.329 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.351 -3.078 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.904 -2.891 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.315 -2.097 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.124 -1.535 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.254 -0.605 2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.096 0.125 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.659 0.602 1.317 1.00 0.00 H new ATOM 115 N VAL A 7 18.222 -6.340 4.046 1.00 0.00 N ATOM 116 CA VAL A 7 18.769 -7.577 4.620 1.00 0.00 C ATOM 117 C VAL A 7 20.131 -7.264 5.244 1.00 0.00 C ATOM 118 O VAL A 7 20.937 -6.561 4.629 1.00 0.00 O ATOM 119 CB VAL A 7 18.862 -8.694 3.555 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.023 -10.083 4.185 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.644 -8.723 2.608 1.00 0.00 C ATOM 0 H VAL A 7 18.564 -6.131 3.108 1.00 0.00 H new ATOM 0 HA VAL A 7 18.101 -7.951 5.396 1.00 0.00 H new ATOM 0 HB VAL A 7 19.752 -8.452 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.084 -10.835 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.934 -10.108 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.165 -10.295 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.766 -9.527 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.736 -8.892 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.568 -7.770 2.084 1.00 0.00 H new ATOM 131 N CYS A 8 20.403 -7.793 6.440 1.00 0.00 N ATOM 132 CA CYS A 8 21.555 -7.424 7.260 1.00 0.00 C ATOM 133 C CYS A 8 22.602 -8.550 7.334 1.00 0.00 C ATOM 134 O CYS A 8 22.245 -9.730 7.326 1.00 0.00 O ATOM 135 CB CYS A 8 21.044 -7.136 8.686 1.00 0.00 C ATOM 136 SG CYS A 8 19.597 -6.024 8.726 1.00 0.00 S ATOM 0 H CYS A 8 19.814 -8.505 6.873 1.00 0.00 H new ATOM 0 HA CYS A 8 22.035 -6.554 6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.782 -8.078 9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.850 -6.692 9.270 1.00 0.00 H new ATOM 0 HG CYS A 8 18.703 -6.504 9.539 1.00 0.00 H new ATOM 142 N LYS A 9 23.883 -8.187 7.486 1.00 0.00 N ATOM 143 CA LYS A 9 25.016 -9.082 7.798 1.00 0.00 C ATOM 144 C LYS A 9 26.018 -8.237 8.585 1.00 0.00 C ATOM 145 O LYS A 9 26.191 -7.064 8.245 1.00 0.00 O ATOM 146 CB LYS A 9 25.678 -9.642 6.513 1.00 0.00 C ATOM 147 CG LYS A 9 25.019 -10.893 5.904 1.00 0.00 C ATOM 148 CD LYS A 9 25.106 -12.134 6.809 1.00 0.00 C ATOM 149 CE LYS A 9 24.576 -13.378 6.072 1.00 0.00 C ATOM 150 NZ LYS A 9 24.673 -14.611 6.904 1.00 0.00 N ATOM 0 H LYS A 9 24.176 -7.215 7.391 1.00 0.00 H new ATOM 0 HA LYS A 9 24.674 -9.946 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.684 -8.855 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.719 -9.877 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.971 -10.677 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.494 -11.116 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.140 -12.297 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.528 -11.969 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.536 -13.214 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.140 -13.519 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.305 -15.422 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.668 -14.784 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.114 -14.489 7.773 1.00 0.00 H new ATOM 164 N ARG A 10 26.742 -8.825 9.546 1.00 0.00 N ATOM 165 CA ARG A 10 27.567 -8.100 10.537 1.00 0.00 C ATOM 166 C ARG A 10 26.682 -7.108 11.306 1.00 0.00 C ATOM 167 O ARG A 10 25.460 -7.207 11.227 1.00 0.00 O ATOM 168 CB ARG A 10 28.879 -7.566 9.874 1.00 0.00 C ATOM 169 CG ARG A 10 29.876 -6.877 10.829 1.00 0.00 C ATOM 170 CD ARG A 10 31.337 -6.932 10.393 1.00 0.00 C ATOM 171 NE ARG A 10 31.988 -8.233 10.621 1.00 0.00 N ATOM 172 CZ ARG A 10 33.250 -8.502 10.260 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.974 -7.592 9.608 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.786 -9.686 10.552 1.00 0.00 N ATOM 0 H ARG A 10 26.775 -9.838 9.664 1.00 0.00 H new ATOM 0 HA ARG A 10 27.955 -8.754 11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.386 -8.401 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.607 -6.859 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.586 -5.832 10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.790 -7.338 11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.397 -6.690 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.893 -6.162 10.928 1.00 0.00 H new ATOM 0 HE ARG A 10 31.449 -8.969 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.568 -6.684 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.934 -7.803 9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.236 -10.386 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.747 -9.893 10.278 1.00 0.00 H new ATOM 188 N ASN A 11 27.278 -6.249 12.141 1.00 0.00 N ATOM 189 CA ASN A 11 26.591 -5.270 12.982 1.00 0.00 C ATOM 190 C ASN A 11 25.614 -4.498 12.099 1.00 0.00 C ATOM 191 O ASN A 11 26.013 -3.683 11.266 1.00 0.00 O ATOM 192 CB ASN A 11 27.612 -4.375 13.702 1.00 0.00 C ATOM 193 CG ASN A 11 26.996 -3.624 14.880 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.819 -3.774 15.197 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.802 -2.835 15.564 1.00 0.00 N ATOM 0 H ASN A 11 28.292 -6.218 12.251 1.00 0.00 H new ATOM 0 HA ASN A 11 26.020 -5.754 13.774 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.441 -4.987 14.058 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.026 -3.658 12.993 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.452 -2.331 16.379 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.775 -2.729 15.278 1.00 0.00 H new ATOM 202 N SER A 12 24.335 -4.820 12.257 1.00 0.00 N ATOM 203 CA SER A 12 23.220 -4.445 11.395 1.00 0.00 C ATOM 204 C SER A 12 22.920 -2.963 11.256 1.00 0.00 C ATOM 205 O SER A 12 22.048 -2.619 10.463 1.00 0.00 O ATOM 206 CB SER A 12 22.016 -5.265 11.859 1.00 0.00 C ATOM 207 OG SER A 12 22.472 -6.602 12.050 1.00 0.00 O ATOM 0 H SER A 12 24.029 -5.390 13.046 1.00 0.00 H new ATOM 0 HA SER A 12 23.502 -4.678 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.608 -4.861 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.218 -5.232 11.118 1.00 0.00 H new ATOM 0 HG SER A 12 22.823 -6.952 11.204 1.00 0.00 H new ATOM 213 N CYS A 13 23.680 -2.085 11.916 1.00 0.00 N ATOM 214 CA CYS A 13 23.629 -0.628 11.792 1.00 0.00 C ATOM 215 C CYS A 13 23.390 -0.186 10.348 1.00 0.00 C ATOM 216 O CYS A 13 22.470 0.574 10.095 1.00 0.00 O ATOM 217 CB CYS A 13 24.961 -0.043 12.307 1.00 0.00 C ATOM 218 SG CYS A 13 25.434 -0.806 13.883 1.00 0.00 S ATOM 0 H CYS A 13 24.385 -2.389 12.587 1.00 0.00 H new ATOM 0 HA CYS A 13 22.793 -0.258 12.385 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.745 -0.208 11.568 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.865 1.035 12.434 1.00 0.00 H new ATOM 0 HG CYS A 13 26.464 -0.183 14.375 1.00 0.00 H new ATOM 224 N ARG A 14 24.174 -0.703 9.393 1.00 0.00 N ATOM 225 CA ARG A 14 24.155 -0.225 7.997 1.00 0.00 C ATOM 226 C ARG A 14 22.812 -0.512 7.330 1.00 0.00 C ATOM 227 O ARG A 14 22.238 0.341 6.665 1.00 0.00 O ATOM 228 CB ARG A 14 25.365 -0.789 7.198 1.00 0.00 C ATOM 229 CG ARG A 14 25.508 -2.327 7.124 1.00 0.00 C ATOM 230 CD ARG A 14 26.800 -2.758 6.403 1.00 0.00 C ATOM 231 NE ARG A 14 27.026 -4.208 6.559 1.00 0.00 N ATOM 232 CZ ARG A 14 27.984 -4.930 5.952 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.863 -4.364 5.129 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.057 -6.234 6.195 1.00 0.00 N ATOM 0 H ARG A 14 24.837 -1.460 9.561 1.00 0.00 H new ATOM 0 HA ARG A 14 24.265 0.859 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.305 -0.406 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.277 -0.386 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.502 -2.740 8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.647 -2.746 6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.732 -2.507 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.649 -2.207 6.807 1.00 0.00 H new ATOM 0 HE ARG A 14 26.397 -4.709 7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.819 -3.361 4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.581 -4.933 4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.393 -6.672 6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.777 -6.797 5.743 1.00 0.00 H new ATOM 248 N SER A 15 22.288 -1.705 7.551 1.00 0.00 N ATOM 249 CA SER A 15 21.134 -2.238 6.848 1.00 0.00 C ATOM 250 C SER A 15 19.839 -1.848 7.546 1.00 0.00 C ATOM 251 O SER A 15 18.869 -1.472 6.892 1.00 0.00 O ATOM 252 CB SER A 15 21.357 -3.750 6.751 1.00 0.00 C ATOM 253 OG SER A 15 22.092 -4.236 7.876 1.00 0.00 O ATOM 0 H SER A 15 22.665 -2.349 8.246 1.00 0.00 H new ATOM 0 HA SER A 15 21.032 -1.823 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.395 -4.259 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.896 -3.983 5.833 1.00 0.00 H new ATOM 0 HG SER A 15 21.495 -4.750 8.460 1.00 0.00 H new ATOM 259 N GLN A 16 19.831 -1.830 8.877 1.00 0.00 N ATOM 260 CA GLN A 16 18.677 -1.366 9.623 1.00 0.00 C ATOM 261 C GLN A 16 18.560 0.161 9.492 1.00 0.00 C ATOM 262 O GLN A 16 17.455 0.688 9.398 1.00 0.00 O ATOM 263 CB GLN A 16 18.764 -1.917 11.054 1.00 0.00 C ATOM 264 CG GLN A 16 19.553 -1.036 12.034 1.00 0.00 C ATOM 265 CD GLN A 16 19.476 -1.573 13.459 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.374 -2.262 13.934 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.414 -1.235 14.171 1.00 0.00 N ATOM 0 H GLN A 16 20.614 -2.133 9.456 1.00 0.00 H new ATOM 0 HA GLN A 16 17.738 -1.747 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.753 -2.050 11.440 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.226 -2.904 11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.595 -0.985 11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.161 -0.019 12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.681 -0.661 13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.328 -1.548 15.138 1.00 0.00 H new ATOM 276 N MET A 17 19.686 0.882 9.371 1.00 0.00 N ATOM 277 CA MET A 17 19.659 2.302 9.026 1.00 0.00 C ATOM 278 C MET A 17 19.042 2.482 7.657 1.00 0.00 C ATOM 279 O MET A 17 18.292 3.428 7.458 1.00 0.00 O ATOM 280 CB MET A 17 21.073 2.884 8.989 1.00 0.00 C ATOM 281 CG MET A 17 21.139 4.332 8.474 1.00 0.00 C ATOM 282 SD MET A 17 20.438 5.643 9.508 1.00 0.00 S ATOM 283 CE MET A 17 18.631 5.628 9.392 1.00 0.00 C ATOM 0 H MET A 17 20.622 0.501 9.508 1.00 0.00 H new ATOM 0 HA MET A 17 19.073 2.819 9.786 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.497 2.846 9.992 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.698 2.255 8.355 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.187 4.574 8.295 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.635 4.365 7.508 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.225 6.484 9.931 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.333 5.684 8.345 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.246 4.707 9.830 1.00 0.00 H new ATOM 293 N ALA A 18 19.341 1.597 6.714 1.00 0.00 N ATOM 294 CA ALA A 18 18.798 1.726 5.381 1.00 0.00 C ATOM 295 C ALA A 18 17.278 1.653 5.458 1.00 0.00 C ATOM 296 O ALA A 18 16.609 2.487 4.860 1.00 0.00 O ATOM 297 CB ALA A 18 19.421 0.652 4.493 1.00 0.00 C ATOM 0 H ALA A 18 19.951 0.792 6.852 1.00 0.00 H new ATOM 0 HA ALA A 18 19.043 2.689 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.020 0.737 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.503 0.784 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.186 -0.334 4.895 1.00 0.00 H new ATOM 303 N GLU A 19 16.731 0.773 6.296 1.00 0.00 N ATOM 304 CA GLU A 19 15.307 0.777 6.577 1.00 0.00 C ATOM 305 C GLU A 19 14.879 2.084 7.250 1.00 0.00 C ATOM 306 O GLU A 19 13.818 2.600 6.913 1.00 0.00 O ATOM 307 CB GLU A 19 14.940 -0.427 7.447 1.00 0.00 C ATOM 308 CG GLU A 19 13.422 -0.603 7.584 1.00 0.00 C ATOM 309 CD GLU A 19 13.015 -0.952 9.021 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.136 -2.138 9.405 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.612 -0.033 9.773 1.00 0.00 O ATOM 0 H GLU A 19 17.257 0.051 6.789 1.00 0.00 H new ATOM 0 HA GLU A 19 14.771 0.703 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.371 -1.330 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.381 -0.306 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.921 0.315 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.085 -1.390 6.910 1.00 0.00 H new ATOM 318 N GLY A 20 15.656 2.669 8.170 1.00 0.00 N ATOM 319 CA GLY A 20 15.214 3.850 8.907 1.00 0.00 C ATOM 320 C GLY A 20 15.145 5.072 8.002 1.00 0.00 C ATOM 321 O GLY A 20 14.147 5.790 8.006 1.00 0.00 O ATOM 0 H GLY A 20 16.590 2.342 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.233 3.663 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.899 4.044 9.732 1.00 0.00 H new ATOM 325 N PHE A 21 16.152 5.262 7.146 1.00 0.00 N ATOM 326 CA PHE A 21 16.121 6.275 6.099 1.00 0.00 C ATOM 327 C PHE A 21 14.999 5.950 5.123 1.00 0.00 C ATOM 328 O PHE A 21 14.293 6.860 4.716 1.00 0.00 O ATOM 329 CB PHE A 21 17.471 6.353 5.361 1.00 0.00 C ATOM 330 CG PHE A 21 18.550 7.191 6.015 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.290 8.518 6.417 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.850 6.678 6.152 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.310 9.304 6.981 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.866 7.463 6.708 1.00 0.00 C ATOM 335 CZ PHE A 21 20.601 8.780 7.128 1.00 0.00 C ATOM 0 H PHE A 21 17.012 4.714 7.163 1.00 0.00 H new ATOM 0 HA PHE A 21 15.939 7.248 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.853 5.339 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.291 6.748 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.301 8.933 6.291 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.067 5.671 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.098 10.313 7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.860 7.056 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.387 9.382 7.560 1.00 0.00 H new ATOM 345 N ALA A 22 14.784 4.681 4.764 1.00 0.00 N ATOM 346 CA ALA A 22 13.767 4.330 3.780 1.00 0.00 C ATOM 347 C ALA A 22 12.362 4.581 4.316 1.00 0.00 C ATOM 348 O ALA A 22 11.544 5.118 3.582 1.00 0.00 O ATOM 349 CB ALA A 22 13.979 2.890 3.312 1.00 0.00 C ATOM 0 H ALA A 22 15.300 3.886 5.141 1.00 0.00 H new ATOM 0 HA ALA A 22 13.870 4.978 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.217 2.631 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.967 2.796 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.904 2.215 4.165 1.00 0.00 H new ATOM 355 N LYS A 23 12.057 4.283 5.582 1.00 0.00 N ATOM 356 CA LYS A 23 10.740 4.575 6.151 1.00 0.00 C ATOM 357 C LYS A 23 10.515 6.073 6.359 1.00 0.00 C ATOM 358 O LYS A 23 9.376 6.512 6.407 1.00 0.00 O ATOM 359 CB LYS A 23 10.489 3.723 7.413 1.00 0.00 C ATOM 360 CG LYS A 23 10.988 4.322 8.737 1.00 0.00 C ATOM 361 CD LYS A 23 10.721 3.360 9.907 1.00 0.00 C ATOM 362 CE LYS A 23 11.024 3.976 11.287 1.00 0.00 C ATOM 363 NZ LYS A 23 9.985 4.946 11.748 1.00 0.00 N ATOM 0 H LYS A 23 12.706 3.839 6.232 1.00 0.00 H new ATOM 0 HA LYS A 23 9.982 4.282 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.417 3.543 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.965 2.753 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.056 4.530 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.489 5.274 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.678 3.046 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.327 2.464 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.114 3.176 12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.989 4.481 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.250 5.322 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.914 5.729 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.066 4.464 11.818 1.00 0.00 H new ATOM 377 N THR A 24 11.593 6.847 6.466 1.00 0.00 N ATOM 378 CA THR A 24 11.591 8.299 6.568 1.00 0.00 C ATOM 379 C THR A 24 11.354 8.929 5.185 1.00 0.00 C ATOM 380 O THR A 24 10.462 9.756 5.006 1.00 0.00 O ATOM 381 CB THR A 24 12.962 8.661 7.179 1.00 0.00 C ATOM 382 OG1 THR A 24 12.913 8.473 8.579 1.00 0.00 O ATOM 383 CG2 THR A 24 13.518 10.044 6.851 1.00 0.00 C ATOM 0 H THR A 24 12.535 6.457 6.485 1.00 0.00 H new ATOM 0 HA THR A 24 10.787 8.685 7.195 1.00 0.00 H new ATOM 0 HB THR A 24 13.666 7.981 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.278 7.592 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.484 10.173 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.642 10.140 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.826 10.808 7.206 1.00 0.00 H new ATOM 391 N LEU A 25 12.148 8.520 4.197 1.00 0.00 N ATOM 392 CA LEU A 25 12.232 9.140 2.880 1.00 0.00 C ATOM 393 C LEU A 25 11.156 8.598 1.931 1.00 0.00 C ATOM 394 O LEU A 25 10.729 9.293 1.011 1.00 0.00 O ATOM 395 CB LEU A 25 13.623 8.869 2.281 1.00 0.00 C ATOM 396 CG LEU A 25 14.793 9.653 2.897 1.00 0.00 C ATOM 397 CD1 LEU A 25 16.111 9.155 2.290 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.684 11.162 2.652 1.00 0.00 C ATOM 0 H LEU A 25 12.772 7.719 4.297 1.00 0.00 H new ATOM 0 HA LEU A 25 12.069 10.211 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.836 7.804 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.586 9.091 1.215 1.00 0.00 H new ATOM 0 HG LEU A 25 14.763 9.484 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.944 9.709 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.231 8.093 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.096 9.309 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.535 11.667 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.678 11.357 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.761 11.537 3.094 1.00 0.00 H new ATOM 410 N GLY A 26 10.706 7.365 2.177 1.00 0.00 N ATOM 411 CA GLY A 26 9.670 6.650 1.438 1.00 0.00 C ATOM 412 C GLY A 26 8.337 6.650 2.189 1.00 0.00 C ATOM 413 O GLY A 26 7.463 5.837 1.888 1.00 0.00 O ATOM 0 H GLY A 26 11.080 6.808 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.537 7.112 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.990 5.623 1.265 1.00 0.00 H new ATOM 417 N ALA A 27 8.190 7.516 3.196 1.00 0.00 N ATOM 418 CA ALA A 27 7.029 7.580 4.069 1.00 0.00 C ATOM 419 C ALA A 27 5.771 7.842 3.244 1.00 0.00 C ATOM 420 O ALA A 27 5.690 8.842 2.527 1.00 0.00 O ATOM 421 CB ALA A 27 7.240 8.675 5.123 1.00 0.00 C ATOM 0 H ALA A 27 8.901 8.210 3.428 1.00 0.00 H new ATOM 0 HA ALA A 27 6.902 6.627 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.370 8.723 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.126 8.445 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.374 9.636 4.627 1.00 0.00 H new ATOM 427 N GLY A 28 4.795 6.937 3.340 1.00 0.00 N ATOM 428 CA GLY A 28 3.523 7.075 2.635 1.00 0.00 C ATOM 429 C GLY A 28 3.607 6.708 1.158 1.00 0.00 C ATOM 430 O GLY A 28 2.643 6.916 0.421 1.00 0.00 O ATOM 0 H GLY A 28 4.865 6.092 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.778 6.442 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.175 8.104 2.727 1.00 0.00 H new ATOM 434 N LYS A 29 4.742 6.158 0.713 1.00 0.00 N ATOM 435 CA LYS A 29 5.011 5.792 -0.666 1.00 0.00 C ATOM 436 C LYS A 29 5.351 4.318 -0.737 1.00 0.00 C ATOM 437 O LYS A 29 5.015 3.668 -1.722 1.00 0.00 O ATOM 438 CB LYS A 29 6.179 6.626 -1.189 1.00 0.00 C ATOM 439 CG LYS A 29 5.884 8.132 -1.235 1.00 0.00 C ATOM 440 CD LYS A 29 4.903 8.532 -2.351 1.00 0.00 C ATOM 441 CE LYS A 29 4.705 10.058 -2.342 1.00 0.00 C ATOM 442 NZ LYS A 29 3.748 10.505 -3.390 1.00 0.00 N ATOM 0 H LYS A 29 5.524 5.951 1.335 1.00 0.00 H new ATOM 0 HA LYS A 29 4.131 5.984 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.050 6.454 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.439 6.284 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.475 8.443 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.820 8.673 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.287 8.211 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.946 8.030 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.341 10.370 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.666 10.549 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.645 11.539 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.106 10.231 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.823 10.058 -3.229 1.00 0.00 H new ATOM 456 N ILE A 30 5.981 3.790 0.310 1.00 0.00 N ATOM 457 CA ILE A 30 6.342 2.391 0.446 1.00 0.00 C ATOM 458 C ILE A 30 6.145 1.926 1.881 1.00 0.00 C ATOM 459 O ILE A 30 6.039 2.732 2.805 1.00 0.00 O ATOM 460 CB ILE A 30 7.817 2.180 0.033 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.815 3.060 0.814 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.952 2.423 -1.471 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.236 2.495 0.838 1.00 0.00 C ATOM 0 H ILE A 30 6.262 4.351 1.114 1.00 0.00 H new ATOM 0 HA ILE A 30 5.696 1.805 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 30 8.077 1.151 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.835 4.055 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.461 3.176 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.989 2.276 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.315 1.723 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.648 3.444 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.884 3.164 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.229 1.512 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.609 2.405 -0.182 1.00 0.00 H new ATOM 475 N ALA A 31 6.124 0.605 2.032 1.00 0.00 N ATOM 476 CA ALA A 31 6.201 -0.057 3.333 1.00 0.00 C ATOM 477 C ALA A 31 7.639 -0.560 3.435 1.00 0.00 C ATOM 478 O ALA A 31 8.218 -0.959 2.426 1.00 0.00 O ATOM 479 CB ALA A 31 5.191 -1.201 3.431 1.00 0.00 C ATOM 0 H ALA A 31 6.052 -0.043 1.248 1.00 0.00 H new ATOM 0 HA ALA A 31 5.954 0.618 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.271 -1.675 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.183 -0.808 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.398 -1.937 2.654 1.00 0.00 H new ATOM 485 N VAL A 32 8.232 -0.538 4.620 1.00 0.00 N ATOM 486 CA VAL A 32 9.656 -0.760 4.808 1.00 0.00 C ATOM 487 C VAL A 32 9.903 -1.695 6.008 1.00 0.00 C ATOM 488 O VAL A 32 9.296 -1.502 7.065 1.00 0.00 O ATOM 489 CB VAL A 32 10.292 0.634 5.020 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.769 0.635 4.678 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.647 1.788 4.223 1.00 0.00 C ATOM 0 H VAL A 32 7.729 -0.363 5.490 1.00 0.00 H new ATOM 0 HA VAL A 32 10.104 -1.251 3.944 1.00 0.00 H new ATOM 0 HB VAL A 32 10.117 0.818 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.179 1.632 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.290 -0.080 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.901 0.354 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.168 2.719 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.718 1.577 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.598 1.883 4.505 1.00 0.00 H new ATOM 501 N THR A 33 10.795 -2.685 5.861 1.00 0.00 N ATOM 502 CA THR A 33 11.121 -3.683 6.895 1.00 0.00 C ATOM 503 C THR A 33 12.609 -4.088 6.771 1.00 0.00 C ATOM 504 O THR A 33 13.209 -3.882 5.715 1.00 0.00 O ATOM 505 CB THR A 33 10.184 -4.896 6.734 1.00 0.00 C ATOM 506 OG1 THR A 33 8.845 -4.514 6.448 1.00 0.00 O ATOM 507 CG2 THR A 33 10.143 -5.840 7.944 1.00 0.00 C ATOM 0 H THR A 33 11.324 -2.819 4.999 1.00 0.00 H new ATOM 0 HA THR A 33 10.972 -3.266 7.891 1.00 0.00 H new ATOM 0 HB THR A 33 10.623 -5.432 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.261 -5.298 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.458 -6.663 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.141 -6.236 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.800 -5.292 8.822 1.00 0.00 H new ATOM 515 N SER A 34 13.221 -4.678 7.803 1.00 0.00 N ATOM 516 CA SER A 34 14.597 -5.190 7.778 1.00 0.00 C ATOM 517 C SER A 34 14.611 -6.650 8.268 1.00 0.00 C ATOM 518 O SER A 34 13.642 -7.096 8.891 1.00 0.00 O ATOM 519 CB SER A 34 15.558 -4.256 8.531 1.00 0.00 C ATOM 520 OG SER A 34 15.064 -3.830 9.785 1.00 0.00 O ATOM 0 H SER A 34 12.762 -4.817 8.703 1.00 0.00 H new ATOM 0 HA SER A 34 14.973 -5.200 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.509 -4.769 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.760 -3.381 7.913 1.00 0.00 H new ATOM 0 HG SER A 34 14.514 -3.028 9.665 1.00 0.00 H new ATOM 526 N CYS A 35 15.669 -7.419 7.983 1.00 0.00 N ATOM 527 CA CYS A 35 15.755 -8.815 8.409 1.00 0.00 C ATOM 528 C CYS A 35 17.199 -9.261 8.588 1.00 0.00 C ATOM 529 O CYS A 35 18.090 -8.848 7.843 1.00 0.00 O ATOM 530 CB CYS A 35 15.025 -9.718 7.403 1.00 0.00 C ATOM 531 SG CYS A 35 15.663 -9.486 5.728 1.00 0.00 S ATOM 0 H CYS A 35 16.479 -7.093 7.456 1.00 0.00 H new ATOM 0 HA CYS A 35 15.269 -8.902 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.141 -10.761 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 35 13.958 -9.498 7.422 1.00 0.00 H new ATOM 0 HG CYS A 35 15.941 -10.643 5.206 1.00 0.00 H new ATOM 537 N GLY A 36 17.406 -10.169 9.546 1.00 0.00 N ATOM 538 CA GLY A 36 18.731 -10.528 10.026 1.00 0.00 C ATOM 539 C GLY A 36 19.129 -9.404 10.975 1.00 0.00 C ATOM 540 O GLY A 36 18.813 -8.237 10.725 1.00 0.00 O ATOM 0 H GLY A 36 16.651 -10.675 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.717 -11.490 10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.438 -10.616 9.201 1.00 0.00 H new ATOM 544 N LEU A 37 19.772 -9.703 12.099 1.00 0.00 N ATOM 545 CA LEU A 37 20.139 -8.658 13.031 1.00 0.00 C ATOM 546 C LEU A 37 21.193 -9.295 13.913 1.00 0.00 C ATOM 547 O LEU A 37 20.900 -10.335 14.504 1.00 0.00 O ATOM 548 CB LEU A 37 18.898 -8.188 13.815 1.00 0.00 C ATOM 549 CG LEU A 37 19.102 -6.740 14.304 1.00 0.00 C ATOM 550 CD1 LEU A 37 18.119 -5.786 13.613 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.957 -6.656 15.819 1.00 0.00 C ATOM 0 H LEU A 37 20.043 -10.646 12.378 1.00 0.00 H new ATOM 0 HA LEU A 37 20.528 -7.760 12.552 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.013 -8.245 13.181 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.724 -8.847 14.666 1.00 0.00 H new ATOM 0 HG LEU A 37 20.114 -6.434 14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.282 -4.771 13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.278 -5.818 12.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.097 -6.091 13.838 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.105 -5.626 16.142 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.960 -6.987 16.108 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.703 -7.295 16.292 1.00 0.00 H new ATOM 563 N GLU A 38 22.421 -8.773 13.928 1.00 0.00 N ATOM 564 CA GLU A 38 23.535 -9.441 14.585 1.00 0.00 C ATOM 565 C GLU A 38 23.174 -9.756 16.040 1.00 0.00 C ATOM 566 O GLU A 38 22.907 -8.868 16.858 1.00 0.00 O ATOM 567 CB GLU A 38 24.818 -8.611 14.497 1.00 0.00 C ATOM 568 CG GLU A 38 26.061 -9.454 14.187 1.00 0.00 C ATOM 569 CD GLU A 38 26.226 -10.649 15.145 1.00 0.00 C ATOM 570 OE1 GLU A 38 26.350 -10.443 16.376 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.194 -11.810 14.673 1.00 0.00 O ATOM 0 H GLU A 38 22.665 -7.885 13.489 1.00 0.00 H new ATOM 0 HA GLU A 38 23.727 -10.379 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.700 -7.851 13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.969 -8.086 15.440 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.999 -9.821 13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.947 -8.822 14.246 1.00 0.00 H new ATOM 578 N SER A 39 23.138 -11.053 16.325 1.00 0.00 N ATOM 579 CA SER A 39 22.797 -11.626 17.630 1.00 0.00 C ATOM 580 C SER A 39 21.453 -11.113 18.185 1.00 0.00 C ATOM 581 O SER A 39 21.266 -10.991 19.398 1.00 0.00 O ATOM 582 CB SER A 39 23.978 -11.449 18.605 1.00 0.00 C ATOM 583 OG SER A 39 25.168 -12.030 18.103 1.00 0.00 O ATOM 0 H SER A 39 23.354 -11.766 15.628 1.00 0.00 H new ATOM 0 HA SER A 39 22.635 -12.696 17.500 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.142 -10.387 18.788 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.729 -11.903 19.564 1.00 0.00 H new ATOM 0 HG SER A 39 25.682 -11.353 17.615 1.00 0.00 H new ATOM 589 N SER A 40 20.514 -10.807 17.286 1.00 0.00 N ATOM 590 CA SER A 40 19.110 -10.500 17.533 1.00 0.00 C ATOM 591 C SER A 40 18.842 -9.220 18.343 1.00 0.00 C ATOM 592 O SER A 40 17.675 -8.931 18.616 1.00 0.00 O ATOM 593 CB SER A 40 18.408 -11.731 18.137 1.00 0.00 C ATOM 594 OG SER A 40 18.705 -12.908 17.389 1.00 0.00 O ATOM 0 H SER A 40 20.737 -10.765 16.291 1.00 0.00 H new ATOM 0 HA SER A 40 18.677 -10.269 16.559 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.725 -11.864 19.171 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.330 -11.568 18.153 1.00 0.00 H new ATOM 0 HG SER A 40 18.249 -13.676 17.793 1.00 0.00 H new ATOM 600 N ARG A 41 19.858 -8.428 18.710 1.00 0.00 N ATOM 601 CA ARG A 41 19.698 -7.194 19.485 1.00 0.00 C ATOM 602 C ARG A 41 20.398 -6.035 18.778 1.00 0.00 C ATOM 603 O ARG A 41 21.395 -6.234 18.080 1.00 0.00 O ATOM 604 CB ARG A 41 20.262 -7.365 20.912 1.00 0.00 C ATOM 605 CG ARG A 41 19.270 -7.947 21.934 1.00 0.00 C ATOM 606 CD ARG A 41 19.038 -9.460 21.846 1.00 0.00 C ATOM 607 NE ARG A 41 20.281 -10.245 21.968 1.00 0.00 N ATOM 608 CZ ARG A 41 20.878 -10.649 23.098 1.00 0.00 C ATOM 609 NH1 ARG A 41 20.382 -10.319 24.290 1.00 0.00 N ATOM 610 NH2 ARG A 41 21.981 -11.389 23.025 1.00 0.00 N ATOM 0 H ARG A 41 20.829 -8.631 18.472 1.00 0.00 H new ATOM 0 HA ARG A 41 18.633 -6.973 19.562 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.137 -8.014 20.866 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.604 -6.394 21.271 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.628 -7.710 22.936 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.311 -7.443 21.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.346 -9.762 22.633 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.560 -9.693 20.895 1.00 0.00 H new ATOM 0 HE ARG A 41 20.737 -10.510 21.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.537 -9.751 24.351 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.848 -10.634 25.141 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.365 -11.644 22.115 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.443 -11.702 23.879 1.00 0.00 H new ATOM 624 N VAL A 42 19.852 -4.827 18.941 1.00 0.00 N ATOM 625 CA VAL A 42 20.369 -3.600 18.349 1.00 0.00 C ATOM 626 C VAL A 42 21.709 -3.203 18.974 1.00 0.00 C ATOM 627 O VAL A 42 22.200 -3.827 19.918 1.00 0.00 O ATOM 628 CB VAL A 42 19.308 -2.481 18.466 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.973 -2.887 17.813 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.080 -2.007 19.912 1.00 0.00 C ATOM 0 H VAL A 42 19.015 -4.676 19.505 1.00 0.00 H new ATOM 0 HA VAL A 42 20.566 -3.768 17.290 1.00 0.00 H new ATOM 0 HB VAL A 42 19.718 -1.634 17.917 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.255 -2.074 17.917 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.134 -3.096 16.755 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.584 -3.779 18.304 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.324 -1.222 19.923 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.741 -2.845 20.521 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.013 -1.618 20.319 1.00 0.00 H new ATOM 640 N HIS A 43 22.267 -2.112 18.450 1.00 0.00 N ATOM 641 CA HIS A 43 23.569 -1.598 18.811 1.00 0.00 C ATOM 642 C HIS A 43 23.403 -0.088 19.008 1.00 0.00 C ATOM 643 O HIS A 43 23.066 0.609 18.049 1.00 0.00 O ATOM 644 CB HIS A 43 24.512 -1.989 17.673 1.00 0.00 C ATOM 645 CG HIS A 43 25.934 -1.564 17.918 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.844 -2.173 18.754 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.559 -0.489 17.356 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.993 -1.479 18.698 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.868 -0.446 17.848 1.00 0.00 N ATOM 0 H HIS A 43 21.801 -1.549 17.739 1.00 0.00 H new ATOM 0 HA HIS A 43 23.988 -1.998 19.735 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.480 -3.070 17.537 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.159 -1.540 16.745 1.00 0.00 H new ATOM 0 HD1 HIS A 43 26.675 -3.006 19.318 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.121 0.206 16.655 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.887 -1.717 19.255 1.00 0.00 H new ATOM 657 N PRO A 44 23.614 0.449 20.221 1.00 0.00 N ATOM 658 CA PRO A 44 23.266 1.826 20.571 1.00 0.00 C ATOM 659 C PRO A 44 24.071 2.854 19.785 1.00 0.00 C ATOM 660 O PRO A 44 23.582 3.965 19.596 1.00 0.00 O ATOM 661 CB PRO A 44 23.534 1.954 22.073 1.00 0.00 C ATOM 662 CG PRO A 44 24.681 0.967 22.254 1.00 0.00 C ATOM 663 CD PRO A 44 24.219 -0.195 21.376 1.00 0.00 C ATOM 0 HA PRO A 44 22.225 2.029 20.321 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.815 2.968 22.356 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.663 1.687 22.671 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.634 1.379 21.922 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.807 0.670 23.295 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.055 -0.831 21.085 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.503 -0.829 21.899 1.00 0.00 H new ATOM 671 N THR A 45 25.263 2.504 19.285 1.00 0.00 N ATOM 672 CA THR A 45 26.046 3.452 18.509 1.00 0.00 C ATOM 673 C THR A 45 25.266 3.864 17.256 1.00 0.00 C ATOM 674 O THR A 45 25.290 5.036 16.889 1.00 0.00 O ATOM 675 CB THR A 45 27.440 2.894 18.150 1.00 0.00 C ATOM 676 OG1 THR A 45 27.995 2.215 19.267 1.00 0.00 O ATOM 677 CG2 THR A 45 28.393 4.006 17.688 1.00 0.00 C ATOM 0 H THR A 45 25.693 1.587 19.405 1.00 0.00 H new ATOM 0 HA THR A 45 26.218 4.336 19.123 1.00 0.00 H new ATOM 0 HB THR A 45 27.315 2.195 17.323 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.070 1.259 19.065 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.364 3.575 17.444 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.981 4.495 16.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.511 4.739 18.486 1.00 0.00 H new ATOM 685 N ALA A 46 24.512 2.941 16.627 1.00 0.00 N ATOM 686 CA ALA A 46 23.715 3.305 15.464 1.00 0.00 C ATOM 687 C ALA A 46 22.625 4.266 15.897 1.00 0.00 C ATOM 688 O ALA A 46 22.464 5.305 15.273 1.00 0.00 O ATOM 689 CB ALA A 46 23.115 2.075 14.769 1.00 0.00 C ATOM 0 H ALA A 46 24.445 1.962 16.905 1.00 0.00 H new ATOM 0 HA ALA A 46 24.365 3.788 14.734 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.529 2.394 13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.918 1.416 14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.472 1.540 15.468 1.00 0.00 H new ATOM 695 N ILE A 47 21.947 3.972 17.007 1.00 0.00 N ATOM 696 CA ILE A 47 20.860 4.811 17.494 1.00 0.00 C ATOM 697 C ILE A 47 21.395 6.230 17.686 1.00 0.00 C ATOM 698 O ILE A 47 20.816 7.171 17.151 1.00 0.00 O ATOM 699 CB ILE A 47 20.239 4.236 18.780 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.307 3.036 18.528 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.430 5.286 19.567 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.935 1.747 18.014 1.00 0.00 C ATOM 0 H ILE A 47 22.136 3.154 17.586 1.00 0.00 H new ATOM 0 HA ILE A 47 20.052 4.836 16.763 1.00 0.00 H new ATOM 0 HB ILE A 47 21.102 3.909 19.360 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.792 2.809 19.462 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.546 3.347 17.812 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.014 4.827 20.464 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.083 6.111 19.851 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.619 5.663 18.943 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.160 0.992 17.883 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.422 1.936 17.058 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.673 1.390 18.733 1.00 0.00 H new ATOM 714 N ALA A 48 22.536 6.394 18.368 1.00 0.00 N ATOM 715 CA ALA A 48 23.117 7.709 18.601 1.00 0.00 C ATOM 716 C ALA A 48 23.473 8.393 17.281 1.00 0.00 C ATOM 717 O ALA A 48 23.202 9.576 17.093 1.00 0.00 O ATOM 718 CB ALA A 48 24.357 7.583 19.489 1.00 0.00 C ATOM 0 H ALA A 48 23.072 5.624 18.767 1.00 0.00 H new ATOM 0 HA ALA A 48 22.377 8.327 19.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.785 8.571 19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.077 7.140 20.445 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.094 6.948 18.997 1.00 0.00 H new ATOM 724 N MET A 49 24.057 7.637 16.353 1.00 0.00 N ATOM 725 CA MET A 49 24.442 8.112 15.034 1.00 0.00 C ATOM 726 C MET A 49 23.272 8.595 14.206 1.00 0.00 C ATOM 727 O MET A 49 23.494 9.407 13.305 1.00 0.00 O ATOM 728 CB MET A 49 25.193 7.025 14.264 1.00 0.00 C ATOM 729 CG MET A 49 26.607 6.839 14.804 1.00 0.00 C ATOM 730 SD MET A 49 27.795 8.021 14.120 1.00 0.00 S ATOM 731 CE MET A 49 27.890 9.170 15.502 1.00 0.00 C ATOM 0 H MET A 49 24.279 6.653 16.506 1.00 0.00 H new ATOM 0 HA MET A 49 25.094 8.968 15.205 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.648 6.084 14.335 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.237 7.289 13.207 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.590 6.938 15.889 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.943 5.826 14.582 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.799 9.766 15.418 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.021 9.828 15.488 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.908 8.612 16.438 1.00 0.00 H new ATOM 741 N MET A 50 22.054 8.134 14.477 1.00 0.00 N ATOM 742 CA MET A 50 20.897 8.586 13.723 1.00 0.00 C ATOM 743 C MET A 50 20.136 9.610 14.552 1.00 0.00 C ATOM 744 O MET A 50 19.498 10.489 13.982 1.00 0.00 O ATOM 745 CB MET A 50 20.018 7.421 13.267 1.00 0.00 C ATOM 746 CG MET A 50 20.794 6.215 12.751 1.00 0.00 C ATOM 747 SD MET A 50 22.367 6.526 11.878 1.00 0.00 S ATOM 748 CE MET A 50 23.109 4.886 11.973 1.00 0.00 C ATOM 0 H MET A 50 21.847 7.453 15.208 1.00 0.00 H new ATOM 0 HA MET A 50 21.232 9.066 12.804 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.392 7.105 14.101 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.349 7.772 12.481 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.005 5.564 13.600 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.141 5.660 12.078 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.183 4.962 11.802 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.928 4.462 12.961 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.665 4.241 11.214 1.00 0.00 H new ATOM 758 N GLU A 51 20.265 9.591 15.875 1.00 0.00 N ATOM 759 CA GLU A 51 19.732 10.632 16.728 1.00 0.00 C ATOM 760 C GLU A 51 20.455 11.950 16.436 1.00 0.00 C ATOM 761 O GLU A 51 19.824 13.007 16.412 1.00 0.00 O ATOM 762 CB GLU A 51 19.864 10.212 18.202 1.00 0.00 C ATOM 763 CG GLU A 51 19.204 11.192 19.182 1.00 0.00 C ATOM 764 CD GLU A 51 17.668 11.205 19.060 1.00 0.00 C ATOM 765 OE1 GLU A 51 17.119 11.982 18.243 1.00 0.00 O ATOM 766 OE2 GLU A 51 16.996 10.454 19.808 1.00 0.00 O ATOM 0 H GLU A 51 20.745 8.847 16.382 1.00 0.00 H new ATOM 0 HA GLU A 51 18.672 10.783 16.524 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.418 9.226 18.331 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.921 10.119 18.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.482 10.924 20.201 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.588 12.196 19.001 1.00 0.00 H new ATOM 773 N GLU A 52 21.754 11.892 16.113 1.00 0.00 N ATOM 774 CA GLU A 52 22.517 13.058 15.683 1.00 0.00 C ATOM 775 C GLU A 52 22.151 13.524 14.252 1.00 0.00 C ATOM 776 O GLU A 52 22.776 14.443 13.717 1.00 0.00 O ATOM 777 CB GLU A 52 24.027 12.867 15.945 1.00 0.00 C ATOM 778 CG GLU A 52 24.775 11.896 15.021 1.00 0.00 C ATOM 779 CD GLU A 52 26.185 12.376 14.651 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.970 12.764 15.548 1.00 0.00 O ATOM 781 OE2 GLU A 52 26.551 12.289 13.454 1.00 0.00 O ATOM 0 H GLU A 52 22.301 11.031 16.145 1.00 0.00 H new ATOM 0 HA GLU A 52 22.221 13.902 16.306 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.509 13.842 15.875 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.152 12.523 16.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.846 10.923 15.508 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.196 11.754 14.109 1.00 0.00 H new ATOM 788 N VAL A 53 21.114 12.926 13.651 1.00 0.00 N ATOM 789 CA VAL A 53 20.490 13.301 12.383 1.00 0.00 C ATOM 790 C VAL A 53 19.010 13.662 12.610 1.00 0.00 C ATOM 791 O VAL A 53 18.525 14.625 12.011 1.00 0.00 O ATOM 792 CB VAL A 53 20.665 12.135 11.379 1.00 0.00 C ATOM 793 CG1 VAL A 53 19.801 12.260 10.121 1.00 0.00 C ATOM 794 CG2 VAL A 53 22.137 11.975 10.993 1.00 0.00 C ATOM 0 H VAL A 53 20.661 12.113 14.069 1.00 0.00 H new ATOM 0 HA VAL A 53 20.971 14.186 11.965 1.00 0.00 H new ATOM 0 HB VAL A 53 20.317 11.243 11.899 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.981 11.405 9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.749 12.285 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 53 20.057 13.179 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 53 22.241 11.151 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.494 12.896 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 53 22.726 11.764 11.885 1.00 0.00 H new ATOM 804 N GLY A 54 18.299 12.928 13.472 1.00 0.00 N ATOM 805 CA GLY A 54 16.873 13.086 13.741 1.00 0.00 C ATOM 806 C GLY A 54 16.065 11.813 13.447 1.00 0.00 C ATOM 807 O GLY A 54 14.870 11.915 13.163 1.00 0.00 O ATOM 0 H GLY A 54 18.721 12.179 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.734 13.365 14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.483 13.905 13.137 1.00 0.00 H new ATOM 811 N ILE A 55 16.696 10.631 13.475 1.00 0.00 N ATOM 812 CA ILE A 55 16.080 9.322 13.235 1.00 0.00 C ATOM 813 C ILE A 55 16.381 8.442 14.468 1.00 0.00 C ATOM 814 O ILE A 55 17.294 8.754 15.235 1.00 0.00 O ATOM 815 CB ILE A 55 16.516 8.735 11.871 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.206 9.770 10.769 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.837 7.376 11.577 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.436 9.235 9.367 1.00 0.00 C ATOM 0 H ILE A 55 17.694 10.560 13.675 1.00 0.00 H new ATOM 0 HA ILE A 55 14.997 9.390 13.138 1.00 0.00 H new ATOM 0 HB ILE A 55 17.587 8.535 11.897 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.169 10.092 10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.829 10.652 10.922 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.173 7.003 10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.104 6.660 12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.755 7.506 11.559 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.200 10.011 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.479 8.939 9.257 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.794 8.371 9.197 1.00 0.00 H new ATOM 830 N ASP A 56 15.637 7.347 14.678 1.00 0.00 N ATOM 831 CA ASP A 56 15.706 6.584 15.935 1.00 0.00 C ATOM 832 C ASP A 56 16.407 5.224 15.793 1.00 0.00 C ATOM 833 O ASP A 56 17.450 5.026 16.404 1.00 0.00 O ATOM 834 CB ASP A 56 14.299 6.440 16.521 1.00 0.00 C ATOM 835 CG ASP A 56 14.360 5.771 17.898 1.00 0.00 C ATOM 836 OD1 ASP A 56 14.447 4.523 17.952 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.315 6.485 18.926 1.00 0.00 O ATOM 0 H ASP A 56 14.981 6.969 13.995 1.00 0.00 H new ATOM 0 HA ASP A 56 16.331 7.149 16.626 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.832 7.421 16.607 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.677 5.848 15.849 1.00 0.00 H new ATOM 842 N ILE A 57 15.881 4.305 14.968 1.00 0.00 N ATOM 843 CA ILE A 57 16.356 2.935 14.727 1.00 0.00 C ATOM 844 C ILE A 57 16.498 1.992 15.932 1.00 0.00 C ATOM 845 O ILE A 57 16.828 0.821 15.731 1.00 0.00 O ATOM 846 CB ILE A 57 17.498 2.867 13.686 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.853 3.461 14.096 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.035 3.484 12.348 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.946 3.055 13.098 1.00 0.00 C ATOM 0 H ILE A 57 15.052 4.516 14.412 1.00 0.00 H new ATOM 0 HA ILE A 57 15.490 2.467 14.258 1.00 0.00 H new ATOM 0 HB ILE A 57 17.698 1.800 13.591 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.781 4.548 14.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.120 3.117 15.095 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.847 3.431 11.623 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.175 2.931 11.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.756 4.526 12.505 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.899 3.486 13.406 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.030 1.969 13.073 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.686 3.422 12.105 1.00 0.00 H new ATOM 861 N SER A 58 16.173 2.395 17.156 1.00 0.00 N ATOM 862 CA SER A 58 16.075 1.486 18.281 1.00 0.00 C ATOM 863 C SER A 58 14.798 0.647 18.148 1.00 0.00 C ATOM 864 O SER A 58 13.788 1.107 17.609 1.00 0.00 O ATOM 865 CB SER A 58 16.116 2.252 19.614 1.00 0.00 C ATOM 866 OG SER A 58 16.254 3.653 19.485 1.00 0.00 O ATOM 0 H SER A 58 15.970 3.367 17.391 1.00 0.00 H new ATOM 0 HA SER A 58 16.933 0.814 18.276 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.201 2.040 20.168 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.945 1.872 20.211 1.00 0.00 H new ATOM 0 HG SER A 58 15.392 4.045 19.233 1.00 0.00 H new ATOM 872 N GLY A 59 14.840 -0.598 18.632 1.00 0.00 N ATOM 873 CA GLY A 59 13.686 -1.499 18.653 1.00 0.00 C ATOM 874 C GLY A 59 13.191 -1.943 17.269 1.00 0.00 C ATOM 875 O GLY A 59 12.205 -2.680 17.211 1.00 0.00 O ATOM 0 H GLY A 59 15.686 -1.012 19.024 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.945 -2.385 19.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.867 -1.005 19.175 1.00 0.00 H new ATOM 879 N GLN A 60 13.840 -1.518 16.172 1.00 0.00 N ATOM 880 CA GLN A 60 13.437 -1.821 14.801 1.00 0.00 C ATOM 881 C GLN A 60 13.143 -3.302 14.573 1.00 0.00 C ATOM 882 O GLN A 60 12.000 -3.675 14.295 1.00 0.00 O ATOM 883 CB GLN A 60 14.552 -1.370 13.842 1.00 0.00 C ATOM 884 CG GLN A 60 14.245 -0.059 13.137 1.00 0.00 C ATOM 885 CD GLN A 60 15.358 0.228 12.134 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.535 0.071 12.436 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.037 0.612 10.920 1.00 0.00 N ATOM 0 H GLN A 60 14.679 -0.940 16.222 1.00 0.00 H new ATOM 0 HA GLN A 60 12.509 -1.282 14.611 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.482 -1.265 14.401 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.715 -2.147 13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.283 -0.120 12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.171 0.752 13.862 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.057 0.743 10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.768 0.780 10.228 1.00 0.00 H new ATOM 896 N THR A 61 14.181 -4.129 14.695 1.00 0.00 N ATOM 897 CA THR A 61 14.141 -5.526 14.284 1.00 0.00 C ATOM 898 C THR A 61 14.947 -6.435 15.215 1.00 0.00 C ATOM 899 O THR A 61 15.714 -5.946 16.048 1.00 0.00 O ATOM 900 CB THR A 61 14.549 -5.618 12.794 1.00 0.00 C ATOM 901 OG1 THR A 61 15.466 -4.593 12.441 1.00 0.00 O ATOM 902 CG2 THR A 61 13.312 -5.466 11.907 1.00 0.00 C ATOM 0 H THR A 61 15.079 -3.843 15.085 1.00 0.00 H new ATOM 0 HA THR A 61 13.123 -5.906 14.374 1.00 0.00 H new ATOM 0 HB THR A 61 15.020 -6.590 12.646 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.321 -4.331 11.508 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.605 -5.532 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.601 -6.260 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.847 -4.498 12.094 1.00 0.00 H new ATOM 910 N SER A 62 14.740 -7.756 15.092 1.00 0.00 N ATOM 911 CA SER A 62 15.290 -8.756 16.005 1.00 0.00 C ATOM 912 C SER A 62 15.108 -10.202 15.482 1.00 0.00 C ATOM 913 O SER A 62 15.118 -11.140 16.283 1.00 0.00 O ATOM 914 CB SER A 62 14.655 -8.553 17.400 1.00 0.00 C ATOM 915 OG SER A 62 13.246 -8.329 17.333 1.00 0.00 O ATOM 0 H SER A 62 14.177 -8.159 14.343 1.00 0.00 H new ATOM 0 HA SER A 62 16.368 -8.615 16.077 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.851 -9.431 18.016 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.131 -7.705 17.892 1.00 0.00 H new ATOM 0 HG SER A 62 12.891 -8.208 18.238 1.00 0.00 H new ATOM 921 N ASP A 63 14.937 -10.423 14.163 1.00 0.00 N ATOM 922 CA ASP A 63 14.540 -11.737 13.622 1.00 0.00 C ATOM 923 C ASP A 63 15.297 -12.086 12.332 1.00 0.00 C ATOM 924 O ASP A 63 15.669 -11.171 11.591 1.00 0.00 O ATOM 925 CB ASP A 63 13.025 -11.761 13.355 1.00 0.00 C ATOM 926 CG ASP A 63 12.218 -12.188 14.591 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.295 -13.376 14.984 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.476 -11.348 15.154 1.00 0.00 O ATOM 0 H ASP A 63 15.068 -9.705 13.451 1.00 0.00 H new ATOM 0 HA ASP A 63 14.798 -12.486 14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.699 -10.771 13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.815 -12.445 12.533 1.00 0.00 H new ATOM 933 N PRO A 64 15.537 -13.382 12.038 1.00 0.00 N ATOM 934 CA PRO A 64 16.408 -13.829 10.949 1.00 0.00 C ATOM 935 C PRO A 64 15.690 -13.881 9.592 1.00 0.00 C ATOM 936 O PRO A 64 14.462 -13.960 9.526 1.00 0.00 O ATOM 937 CB PRO A 64 16.870 -15.228 11.384 1.00 0.00 C ATOM 938 CG PRO A 64 15.652 -15.772 12.128 1.00 0.00 C ATOM 939 CD PRO A 64 15.126 -14.529 12.845 1.00 0.00 C ATOM 0 HA PRO A 64 17.234 -13.135 10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.133 -15.851 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.749 -15.182 12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.913 -16.191 11.446 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.923 -16.562 12.829 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.041 -14.567 12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.534 -14.461 13.853 1.00 0.00 H new ATOM 947 N ILE A 65 16.473 -13.923 8.504 1.00 0.00 N ATOM 948 CA ILE A 65 16.013 -13.909 7.107 1.00 0.00 C ATOM 949 C ILE A 65 15.058 -15.066 6.827 1.00 0.00 C ATOM 950 O ILE A 65 14.085 -14.918 6.097 1.00 0.00 O ATOM 951 CB ILE A 65 17.253 -13.920 6.160 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.871 -13.732 4.667 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.141 -15.174 6.350 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.071 -13.707 3.704 1.00 0.00 C ATOM 0 H ILE A 65 17.489 -13.970 8.577 1.00 0.00 H new ATOM 0 HA ILE A 65 15.446 -12.997 6.919 1.00 0.00 H new ATOM 0 HB ILE A 65 17.846 -13.054 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.200 -14.539 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.316 -12.800 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 65 18.988 -15.127 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.506 -15.209 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.555 -16.069 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.715 -13.572 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.733 -12.883 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.616 -14.648 3.777 1.00 0.00 H new ATOM 966 N GLU A 66 15.324 -16.214 7.443 1.00 0.00 N ATOM 967 CA GLU A 66 14.638 -17.456 7.140 1.00 0.00 C ATOM 968 C GLU A 66 13.206 -17.491 7.685 1.00 0.00 C ATOM 969 O GLU A 66 12.400 -18.308 7.232 1.00 0.00 O ATOM 970 CB GLU A 66 15.513 -18.620 7.631 1.00 0.00 C ATOM 971 CG GLU A 66 15.625 -18.719 9.160 1.00 0.00 C ATOM 972 CD GLU A 66 16.487 -19.925 9.579 1.00 0.00 C ATOM 973 OE1 GLU A 66 15.939 -21.042 9.745 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.719 -19.764 9.757 1.00 0.00 O ATOM 0 H GLU A 66 16.030 -16.304 8.174 1.00 0.00 H new ATOM 0 HA GLU A 66 14.506 -17.548 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.105 -19.555 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.513 -18.511 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.062 -17.802 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.630 -18.811 9.595 1.00 0.00 H new ATOM 981 N ASN A 67 12.870 -16.593 8.620 1.00 0.00 N ATOM 982 CA ASN A 67 11.504 -16.391 9.072 1.00 0.00 C ATOM 983 C ASN A 67 10.724 -15.452 8.133 1.00 0.00 C ATOM 984 O ASN A 67 9.492 -15.441 8.196 1.00 0.00 O ATOM 985 CB ASN A 67 11.455 -15.938 10.549 1.00 0.00 C ATOM 986 CG ASN A 67 10.936 -14.514 10.734 1.00 0.00 C ATOM 987 OD1 ASN A 67 9.799 -14.295 11.142 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.756 -13.525 10.431 1.00 0.00 N ATOM 0 H ASN A 67 13.548 -15.987 9.081 1.00 0.00 H new ATOM 0 HA ASN A 67 10.997 -17.355 9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.819 -16.623 11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.455 -16.010 10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.449 -12.558 10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.697 -13.728 10.094 1.00 0.00 H new ATOM 995 N PHE A 68 11.402 -14.676 7.271 1.00 0.00 N ATOM 996 CA PHE A 68 10.745 -13.757 6.348 1.00 0.00 C ATOM 997 C PHE A 68 10.407 -14.463 5.027 1.00 0.00 C ATOM 998 O PHE A 68 10.831 -15.594 4.765 1.00 0.00 O ATOM 999 CB PHE A 68 11.586 -12.483 6.132 1.00 0.00 C ATOM 1000 CG PHE A 68 11.571 -11.542 7.322 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.514 -10.628 7.491 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.606 -11.586 8.270 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.499 -9.763 8.600 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.596 -10.720 9.381 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.544 -9.805 9.542 1.00 0.00 C ATOM 0 H PHE A 68 12.420 -14.674 7.200 1.00 0.00 H new ATOM 0 HA PHE A 68 9.803 -13.437 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.616 -12.769 5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.212 -11.954 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.713 -10.591 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.416 -12.289 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.685 -9.066 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.395 -10.760 10.106 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.536 -9.134 10.388 1.00 0.00 H new ATOM 1015 N ASN A 69 9.628 -13.773 4.186 1.00 0.00 N ATOM 1016 CA ASN A 69 9.138 -14.254 2.900 1.00 0.00 C ATOM 1017 C ASN A 69 9.170 -13.090 1.922 1.00 0.00 C ATOM 1018 O ASN A 69 8.210 -12.325 1.833 1.00 0.00 O ATOM 1019 CB ASN A 69 7.750 -14.925 3.010 1.00 0.00 C ATOM 1020 CG ASN A 69 6.762 -14.278 3.985 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.355 -14.894 4.968 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.361 -13.037 3.764 1.00 0.00 N ATOM 0 H ASN A 69 9.312 -12.826 4.396 1.00 0.00 H new ATOM 0 HA ASN A 69 9.787 -15.047 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.296 -14.937 2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.894 -15.964 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.712 -12.588 4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.701 -12.529 2.947 1.00 0.00 H new ATOM 1029 N ALA A 70 10.298 -12.922 1.221 1.00 0.00 N ATOM 1030 CA ALA A 70 10.468 -11.907 0.191 1.00 0.00 C ATOM 1031 C ALA A 70 9.376 -11.922 -0.871 1.00 0.00 C ATOM 1032 O ALA A 70 9.161 -10.902 -1.516 1.00 0.00 O ATOM 1033 CB ALA A 70 11.782 -12.113 -0.526 1.00 0.00 C ATOM 0 H ALA A 70 11.127 -13.500 1.361 1.00 0.00 H new ATOM 0 HA ALA A 70 10.427 -10.953 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.901 -11.349 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.602 -12.039 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.793 -13.099 -0.990 1.00 0.00 H new ATOM 1039 N ASP A 71 8.698 -13.053 -1.055 1.00 0.00 N ATOM 1040 CA ASP A 71 7.538 -13.159 -1.934 1.00 0.00 C ATOM 1041 C ASP A 71 6.506 -12.065 -1.633 1.00 0.00 C ATOM 1042 O ASP A 71 5.814 -11.593 -2.539 1.00 0.00 O ATOM 1043 CB ASP A 71 6.883 -14.535 -1.789 1.00 0.00 C ATOM 1044 CG ASP A 71 5.635 -14.636 -2.681 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.787 -14.704 -3.924 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.503 -14.685 -2.141 1.00 0.00 O ATOM 0 H ASP A 71 8.942 -13.929 -0.593 1.00 0.00 H new ATOM 0 HA ASP A 71 7.889 -13.030 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.596 -15.314 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.608 -14.705 -0.748 1.00 0.00 H new ATOM 1051 N ASP A 72 6.437 -11.624 -0.371 1.00 0.00 N ATOM 1052 CA ASP A 72 5.505 -10.597 0.089 1.00 0.00 C ATOM 1053 C ASP A 72 6.077 -9.168 0.027 1.00 0.00 C ATOM 1054 O ASP A 72 5.398 -8.238 0.453 1.00 0.00 O ATOM 1055 CB ASP A 72 5.027 -10.941 1.507 1.00 0.00 C ATOM 1056 CG ASP A 72 3.785 -10.124 1.905 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.741 -10.228 1.215 1.00 0.00 O ATOM 1058 OD2 ASP A 72 3.819 -9.427 2.947 1.00 0.00 O ATOM 0 H ASP A 72 7.041 -11.980 0.370 1.00 0.00 H new ATOM 0 HA ASP A 72 4.660 -10.598 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.796 -12.005 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.831 -10.750 2.218 1.00 0.00 H new ATOM 1063 N TYR A 73 7.294 -8.944 -0.497 1.00 0.00 N ATOM 1064 CA TYR A 73 7.918 -7.627 -0.548 1.00 0.00 C ATOM 1065 C TYR A 73 8.458 -7.377 -1.945 1.00 0.00 C ATOM 1066 O TYR A 73 9.387 -8.053 -2.376 1.00 0.00 O ATOM 1067 CB TYR A 73 9.019 -7.431 0.505 1.00 0.00 C ATOM 1068 CG TYR A 73 8.620 -7.760 1.927 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.530 -9.100 2.334 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.326 -6.730 2.838 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.101 -9.430 3.627 1.00 0.00 C ATOM 1072 CE2 TYR A 73 7.904 -7.047 4.144 1.00 0.00 C ATOM 1073 CZ TYR A 73 7.775 -8.400 4.543 1.00 0.00 C ATOM 1074 OH TYR A 73 7.344 -8.691 5.805 1.00 0.00 O ATOM 0 H TYR A 73 7.871 -9.684 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 73 7.146 -6.895 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.874 -8.050 0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.352 -6.394 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.794 -9.886 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.424 -5.697 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.019 -10.465 3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.678 -6.256 4.843 1.00 0.00 H new ATOM 0 HH TYR A 73 7.169 -7.858 6.291 1.00 0.00 H new ATOM 1084 N ASP A 74 7.886 -6.388 -2.641 1.00 0.00 N ATOM 1085 CA ASP A 74 8.156 -6.200 -4.072 1.00 0.00 C ATOM 1086 C ASP A 74 9.575 -5.713 -4.371 1.00 0.00 C ATOM 1087 O ASP A 74 9.951 -5.574 -5.531 1.00 0.00 O ATOM 1088 CB ASP A 74 7.145 -5.230 -4.699 1.00 0.00 C ATOM 1089 CG ASP A 74 6.891 -5.471 -6.204 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.087 -6.600 -6.717 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.362 -4.539 -6.856 1.00 0.00 O ATOM 0 H ASP A 74 7.238 -5.710 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 74 8.054 -7.189 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.199 -5.312 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.502 -4.210 -4.560 1.00 0.00 H new ATOM 1096 N VAL A 75 10.371 -5.374 -3.356 1.00 0.00 N ATOM 1097 CA VAL A 75 11.658 -4.727 -3.532 1.00 0.00 C ATOM 1098 C VAL A 75 12.571 -5.275 -2.433 1.00 0.00 C ATOM 1099 O VAL A 75 12.265 -5.174 -1.246 1.00 0.00 O ATOM 1100 CB VAL A 75 11.399 -3.213 -3.489 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.601 -2.285 -3.272 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.573 -2.644 -4.652 1.00 0.00 C ATOM 0 H VAL A 75 10.131 -5.546 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 75 12.159 -4.925 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 75 10.809 -3.199 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.264 -1.248 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.074 -2.519 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.321 -2.427 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.452 -1.569 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.088 -2.838 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.593 -3.120 -4.669 1.00 0.00 H new ATOM 1112 N VAL A 76 13.709 -5.856 -2.802 1.00 0.00 N ATOM 1113 CA VAL A 76 14.663 -6.430 -1.881 1.00 0.00 C ATOM 1114 C VAL A 76 15.945 -5.653 -2.066 1.00 0.00 C ATOM 1115 O VAL A 76 16.465 -5.564 -3.179 1.00 0.00 O ATOM 1116 CB VAL A 76 14.866 -7.919 -2.232 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.155 -8.506 -1.633 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.655 -8.747 -1.768 1.00 0.00 C ATOM 0 H VAL A 76 13.993 -5.939 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 76 14.327 -6.374 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 76 14.961 -7.972 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.242 -9.555 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.016 -7.956 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.122 -8.423 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.812 -9.795 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.539 -8.649 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.755 -8.384 -2.264 1.00 0.00 H new ATOM 1128 N ILE A 77 16.470 -5.155 -0.957 1.00 0.00 N ATOM 1129 CA ILE A 77 17.765 -4.538 -0.878 1.00 0.00 C ATOM 1130 C ILE A 77 18.518 -5.360 0.145 1.00 0.00 C ATOM 1131 O ILE A 77 18.356 -5.171 1.351 1.00 0.00 O ATOM 1132 CB ILE A 77 17.625 -3.079 -0.433 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.785 -2.201 -1.383 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.018 -2.473 -0.235 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.181 -2.235 -2.865 1.00 0.00 C ATOM 0 H ILE A 77 15.981 -5.175 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 77 18.285 -4.517 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 77 17.073 -3.094 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.742 -2.507 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.843 -1.169 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.921 -1.435 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.555 -3.037 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.570 -2.516 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.521 -1.580 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.211 -1.895 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.093 -3.254 -3.242 1.00 0.00 H new ATOM 1147 N SER A 78 19.282 -6.346 -0.295 1.00 0.00 N ATOM 1148 CA SER A 78 20.184 -6.976 0.634 1.00 0.00 C ATOM 1149 C SER A 78 21.352 -6.003 0.888 1.00 0.00 C ATOM 1150 O SER A 78 21.482 -4.974 0.222 1.00 0.00 O ATOM 1151 CB SER A 78 20.486 -8.399 0.158 1.00 0.00 C ATOM 1152 OG SER A 78 20.866 -8.466 -1.186 1.00 0.00 O ATOM 0 H SER A 78 19.294 -6.710 -1.248 1.00 0.00 H new ATOM 0 HA SER A 78 19.771 -7.151 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 78 21.281 -8.819 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.603 -9.020 0.310 1.00 0.00 H new ATOM 0 HG SER A 78 21.826 -8.655 -1.246 1.00 0.00 H new ATOM 1158 N LEU A 79 22.179 -6.253 1.896 1.00 0.00 N ATOM 1159 CA LEU A 79 23.404 -5.498 2.177 1.00 0.00 C ATOM 1160 C LEU A 79 24.401 -6.547 2.668 1.00 0.00 C ATOM 1161 O LEU A 79 25.089 -6.380 3.677 1.00 0.00 O ATOM 1162 CB LEU A 79 23.198 -4.370 3.213 1.00 0.00 C ATOM 1163 CG LEU A 79 22.305 -3.195 2.769 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.812 -3.370 3.095 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.781 -1.890 3.430 1.00 0.00 C ATOM 0 H LEU A 79 22.015 -7.008 2.562 1.00 0.00 H new ATOM 0 HA LEU A 79 23.756 -4.974 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.767 -4.807 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.176 -3.973 3.487 1.00 0.00 H new ATOM 0 HG LEU A 79 22.400 -3.162 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.259 -2.497 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.433 -4.262 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.685 -3.475 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.143 -1.066 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.727 -1.990 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.811 -1.687 3.135 1.00 0.00 H new ATOM 1177 N CYS A 80 24.388 -7.692 1.986 1.00 0.00 N ATOM 1178 CA CYS A 80 25.051 -8.910 2.381 1.00 0.00 C ATOM 1179 C CYS A 80 26.363 -9.123 1.628 1.00 0.00 C ATOM 1180 O CYS A 80 27.068 -10.076 1.953 1.00 0.00 O ATOM 1181 CB CYS A 80 24.053 -10.065 2.160 1.00 0.00 C ATOM 1182 SG CYS A 80 22.493 -9.746 3.050 1.00 0.00 S ATOM 0 H CYS A 80 23.888 -7.788 1.102 1.00 0.00 H new ATOM 0 HA CYS A 80 25.337 -8.860 3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 80 23.853 -10.181 1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.490 -11.002 2.506 1.00 0.00 H new ATOM 0 HG CYS A 80 21.668 -10.730 2.847 1.00 0.00 H new ATOM 1188 N GLY A 81 26.706 -8.278 0.646 1.00 0.00 N ATOM 1189 CA GLY A 81 27.976 -8.401 -0.070 1.00 0.00 C ATOM 1190 C GLY A 81 27.823 -8.717 -1.553 1.00 0.00 C ATOM 1191 O GLY A 81 28.799 -9.117 -2.185 1.00 0.00 O ATOM 0 H GLY A 81 26.120 -7.504 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.533 -7.470 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.571 -9.185 0.399 1.00 0.00 H new ATOM 1195 N CYS A 82 26.615 -8.530 -2.095 1.00 0.00 N ATOM 1196 CA CYS A 82 26.258 -8.772 -3.494 1.00 0.00 C ATOM 1197 C CYS A 82 26.814 -10.125 -3.985 1.00 0.00 C ATOM 1198 O CYS A 82 27.600 -10.198 -4.934 1.00 0.00 O ATOM 1199 CB CYS A 82 26.663 -7.555 -4.342 1.00 0.00 C ATOM 1200 SG CYS A 82 25.736 -7.529 -5.908 1.00 0.00 S ATOM 0 H CYS A 82 25.826 -8.191 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 82 25.178 -8.872 -3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.473 -6.637 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.733 -7.588 -4.547 1.00 0.00 H new ATOM 0 HG CYS A 82 26.093 -6.492 -6.606 1.00 0.00 H new ATOM 1206 N GLY A 83 26.451 -11.196 -3.270 1.00 0.00 N ATOM 1207 CA GLY A 83 27.013 -12.530 -3.483 1.00 0.00 C ATOM 1208 C GLY A 83 26.363 -13.610 -2.618 1.00 0.00 C ATOM 1209 O GLY A 83 26.336 -14.773 -3.018 1.00 0.00 O ATOM 0 H GLY A 83 25.756 -11.159 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.900 -12.800 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.082 -12.503 -3.274 1.00 0.00 H new ATOM 1213 N VAL A 84 25.809 -13.232 -1.460 1.00 0.00 N ATOM 1214 CA VAL A 84 24.975 -14.107 -0.639 1.00 0.00 C ATOM 1215 C VAL A 84 23.822 -14.591 -1.508 1.00 0.00 C ATOM 1216 O VAL A 84 23.062 -13.796 -2.064 1.00 0.00 O ATOM 1217 CB VAL A 84 24.530 -13.389 0.651 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.504 -14.187 1.475 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.787 -13.136 1.501 1.00 0.00 C ATOM 0 H VAL A 84 25.931 -12.299 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 84 25.530 -14.979 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 84 24.033 -12.461 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.236 -13.622 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.611 -14.361 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.937 -15.144 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 84 25.506 -12.628 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 84 26.262 -14.087 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.485 -12.513 0.942 1.00 0.00 H new ATOM 1229 N ASN A 85 23.739 -15.914 -1.639 1.00 0.00 N ATOM 1230 CA ASN A 85 22.639 -16.581 -2.298 1.00 0.00 C ATOM 1231 C ASN A 85 21.386 -16.326 -1.459 1.00 0.00 C ATOM 1232 O ASN A 85 21.429 -16.453 -0.231 1.00 0.00 O ATOM 1233 CB ASN A 85 22.957 -18.082 -2.416 1.00 0.00 C ATOM 1234 CG ASN A 85 21.697 -18.938 -2.514 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.149 -19.147 -3.593 1.00 0.00 O ATOM 1236 ND2 ASN A 85 21.216 -19.432 -1.385 1.00 0.00 N ATOM 0 H ASN A 85 24.449 -16.554 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 85 22.478 -16.203 -3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.577 -18.251 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.540 -18.396 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.370 -20.002 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.691 -19.243 -0.502 1.00 0.00 H new ATOM 1243 N LEU A 86 20.279 -16.009 -2.127 1.00 0.00 N ATOM 1244 CA LEU A 86 18.971 -15.797 -1.515 1.00 0.00 C ATOM 1245 C LEU A 86 17.992 -16.767 -2.201 1.00 0.00 C ATOM 1246 O LEU A 86 18.151 -17.004 -3.404 1.00 0.00 O ATOM 1247 CB LEU A 86 18.499 -14.337 -1.702 1.00 0.00 C ATOM 1248 CG LEU A 86 19.459 -13.215 -1.260 1.00 0.00 C ATOM 1249 CD1 LEU A 86 18.852 -11.850 -1.609 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.764 -13.232 0.243 1.00 0.00 C ATOM 0 H LEU A 86 20.268 -15.889 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 86 19.020 -15.981 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.273 -14.189 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.564 -14.214 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 86 20.395 -13.387 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.533 -11.058 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.693 -11.787 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.898 -11.734 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.445 -12.416 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.837 -13.110 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.227 -14.182 0.510 1.00 0.00 H new ATOM 1262 N PRO A 87 16.999 -17.340 -1.487 1.00 0.00 N ATOM 1263 CA PRO A 87 15.987 -18.202 -2.096 1.00 0.00 C ATOM 1264 C PRO A 87 15.279 -17.545 -3.290 1.00 0.00 C ATOM 1265 O PRO A 87 15.193 -16.316 -3.329 1.00 0.00 O ATOM 1266 CB PRO A 87 14.980 -18.516 -0.993 1.00 0.00 C ATOM 1267 CG PRO A 87 15.765 -18.325 0.306 1.00 0.00 C ATOM 1268 CD PRO A 87 16.824 -17.277 -0.044 1.00 0.00 C ATOM 0 HA PRO A 87 16.461 -19.099 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.120 -17.848 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.599 -19.533 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.119 -17.983 1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.222 -19.258 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.504 -16.282 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.762 -17.485 0.471 1.00 0.00 H new ATOM 1276 N PRO A 88 14.695 -18.319 -4.223 1.00 0.00 N ATOM 1277 CA PRO A 88 14.188 -17.790 -5.486 1.00 0.00 C ATOM 1278 C PRO A 88 13.198 -16.621 -5.388 1.00 0.00 C ATOM 1279 O PRO A 88 13.165 -15.770 -6.276 1.00 0.00 O ATOM 1280 CB PRO A 88 13.562 -18.981 -6.216 1.00 0.00 C ATOM 1281 CG PRO A 88 14.352 -20.173 -5.685 1.00 0.00 C ATOM 1282 CD PRO A 88 14.647 -19.777 -4.239 1.00 0.00 C ATOM 0 HA PRO A 88 15.025 -17.341 -6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.498 -19.073 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.657 -18.885 -7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.775 -21.096 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.268 -20.335 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 88 13.874 -20.149 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.593 -20.202 -3.903 1.00 0.00 H new ATOM 1290 N GLU A 89 12.400 -16.542 -4.318 1.00 0.00 N ATOM 1291 CA GLU A 89 11.407 -15.492 -4.154 1.00 0.00 C ATOM 1292 C GLU A 89 12.067 -14.127 -3.971 1.00 0.00 C ATOM 1293 O GLU A 89 11.494 -13.097 -4.304 1.00 0.00 O ATOM 1294 CB GLU A 89 10.472 -15.829 -2.987 1.00 0.00 C ATOM 1295 CG GLU A 89 11.161 -16.170 -1.657 1.00 0.00 C ATOM 1296 CD GLU A 89 10.119 -16.511 -0.579 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.578 -15.569 0.044 1.00 0.00 O ATOM 1298 OE2 GLU A 89 9.848 -17.718 -0.357 1.00 0.00 O ATOM 0 H GLU A 89 12.430 -17.207 -3.545 1.00 0.00 H new ATOM 0 HA GLU A 89 10.809 -15.435 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.806 -14.982 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.848 -16.674 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.837 -17.014 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.768 -15.326 -1.329 1.00 0.00 H new ATOM 1305 N TRP A 90 13.294 -14.091 -3.466 1.00 0.00 N ATOM 1306 CA TRP A 90 14.002 -12.847 -3.223 1.00 0.00 C ATOM 1307 C TRP A 90 14.418 -12.122 -4.509 1.00 0.00 C ATOM 1308 O TRP A 90 14.779 -10.950 -4.424 1.00 0.00 O ATOM 1309 CB TRP A 90 15.214 -13.119 -2.324 1.00 0.00 C ATOM 1310 CG TRP A 90 14.915 -13.477 -0.889 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.495 -14.672 -0.414 1.00 0.00 C ATOM 1312 CD2 TRP A 90 14.953 -12.610 0.281 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.265 -14.589 0.950 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.489 -13.321 1.421 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.201 -11.241 0.452 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.279 -12.703 2.663 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.995 -10.593 1.681 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.537 -11.327 2.792 1.00 0.00 C ATOM 0 H TRP A 90 13.824 -14.926 -3.214 1.00 0.00 H new ATOM 0 HA TRP A 90 13.311 -12.171 -2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.792 -13.931 -2.766 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.850 -12.234 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.359 -15.562 -1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.967 -15.373 1.531 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.562 -10.666 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.924 -13.276 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.187 -9.534 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.384 -10.834 3.741 1.00 0.00 H new ATOM 1329 N VAL A 91 14.361 -12.766 -5.683 1.00 0.00 N ATOM 1330 CA VAL A 91 14.934 -12.233 -6.914 1.00 0.00 C ATOM 1331 C VAL A 91 13.883 -11.986 -8.006 1.00 0.00 C ATOM 1332 O VAL A 91 14.191 -11.340 -9.008 1.00 0.00 O ATOM 1333 CB VAL A 91 16.123 -13.106 -7.373 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.212 -13.177 -6.286 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.752 -14.544 -7.760 1.00 0.00 C ATOM 0 H VAL A 91 13.913 -13.675 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 91 15.331 -11.240 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 91 16.487 -12.606 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.036 -13.798 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.579 -12.173 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.792 -13.610 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.649 -15.081 -8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.305 -15.048 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.038 -14.527 -8.584 1.00 0.00 H new ATOM 1345 N THR A 92 12.639 -12.440 -7.817 1.00 0.00 N ATOM 1346 CA THR A 92 11.550 -12.291 -8.787 1.00 0.00 C ATOM 1347 C THR A 92 10.812 -10.945 -8.651 1.00 0.00 C ATOM 1348 O THR A 92 9.992 -10.579 -9.497 1.00 0.00 O ATOM 1349 CB THR A 92 10.601 -13.484 -8.591 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.301 -13.657 -7.212 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.295 -14.755 -9.082 1.00 0.00 C ATOM 0 H THR A 92 12.356 -12.931 -6.969 1.00 0.00 H new ATOM 0 HA THR A 92 11.957 -12.286 -9.798 1.00 0.00 H new ATOM 0 HB THR A 92 9.683 -13.295 -9.147 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.695 -14.419 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.630 -15.608 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.541 -14.650 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.209 -14.914 -8.510 1.00 0.00 H new ATOM 1359 N GLN A 93 11.111 -10.224 -7.571 1.00 0.00 N ATOM 1360 CA GLN A 93 10.609 -8.930 -7.176 1.00 0.00 C ATOM 1361 C GLN A 93 10.917 -7.822 -8.200 1.00 0.00 C ATOM 1362 O GLN A 93 11.728 -8.010 -9.112 1.00 0.00 O ATOM 1363 CB GLN A 93 11.287 -8.670 -5.826 1.00 0.00 C ATOM 1364 CG GLN A 93 10.933 -9.643 -4.701 1.00 0.00 C ATOM 1365 CD GLN A 93 9.490 -10.166 -4.756 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.502 -9.447 -4.878 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.351 -11.474 -4.781 1.00 0.00 N ATOM 0 H GLN A 93 11.781 -10.578 -6.888 1.00 0.00 H new ATOM 0 HA GLN A 93 9.521 -8.922 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.367 -8.693 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.031 -7.661 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.617 -10.491 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.093 -9.148 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.168 -12.076 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.426 -11.886 -4.901 1.00 0.00 H new ATOM 1376 N GLU A 94 10.285 -6.654 -8.045 1.00 0.00 N ATOM 1377 CA GLU A 94 10.489 -5.490 -8.882 1.00 0.00 C ATOM 1378 C GLU A 94 11.905 -4.964 -8.663 1.00 0.00 C ATOM 1379 O GLU A 94 12.586 -4.642 -9.640 1.00 0.00 O ATOM 1380 CB GLU A 94 9.399 -4.439 -8.588 1.00 0.00 C ATOM 1381 CG GLU A 94 9.853 -3.003 -8.818 1.00 0.00 C ATOM 1382 CD GLU A 94 8.666 -2.020 -8.847 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.061 -1.838 -9.934 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.361 -1.386 -7.808 1.00 0.00 O ATOM 0 H GLU A 94 9.598 -6.498 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 94 10.396 -5.747 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.533 -4.642 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.073 -4.546 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.546 -2.711 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.398 -2.941 -9.760 1.00 0.00 H new ATOM 1391 N ILE A 95 12.372 -4.949 -7.408 1.00 0.00 N ATOM 1392 CA ILE A 95 13.775 -4.669 -7.135 1.00 0.00 C ATOM 1393 C ILE A 95 14.406 -5.856 -6.419 1.00 0.00 C ATOM 1394 O ILE A 95 13.805 -6.455 -5.528 1.00 0.00 O ATOM 1395 CB ILE A 95 13.966 -3.380 -6.296 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.631 -2.067 -7.021 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.390 -3.233 -5.731 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.430 -1.740 -8.288 1.00 0.00 C ATOM 0 H ILE A 95 11.803 -5.126 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 95 14.270 -4.506 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 95 13.242 -3.527 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.574 -2.088 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.767 -1.248 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.459 -2.311 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.615 -4.083 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.106 -3.201 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 95 14.091 -0.788 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.490 -1.673 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.278 -2.526 -9.027 1.00 0.00 H new ATOM 1410 N PHE A 96 15.634 -6.161 -6.824 1.00 0.00 N ATOM 1411 CA PHE A 96 16.548 -7.044 -6.140 1.00 0.00 C ATOM 1412 C PHE A 96 17.896 -6.383 -6.410 1.00 0.00 C ATOM 1413 O PHE A 96 18.392 -6.380 -7.540 1.00 0.00 O ATOM 1414 CB PHE A 96 16.529 -8.524 -6.540 1.00 0.00 C ATOM 1415 CG PHE A 96 17.807 -9.231 -6.081 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.316 -9.029 -4.775 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.568 -9.975 -7.004 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.578 -9.530 -4.414 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.810 -10.516 -6.624 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.320 -10.288 -5.335 1.00 0.00 C ATOM 0 H PHE A 96 16.030 -5.776 -7.681 1.00 0.00 H new ATOM 0 HA PHE A 96 16.274 -7.136 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.660 -9.013 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.429 -8.611 -7.622 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.729 -8.485 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.197 -10.131 -8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.977 -9.333 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.375 -11.110 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.280 -10.694 -5.053 1.00 0.00 H new ATOM 1430 N GLU A 97 18.432 -5.761 -5.372 1.00 0.00 N ATOM 1431 CA GLU A 97 19.743 -5.146 -5.338 1.00 0.00 C ATOM 1432 C GLU A 97 20.408 -5.619 -4.044 1.00 0.00 C ATOM 1433 O GLU A 97 19.754 -6.165 -3.147 1.00 0.00 O ATOM 1434 CB GLU A 97 19.610 -3.614 -5.352 1.00 0.00 C ATOM 1435 CG GLU A 97 19.379 -3.034 -6.749 1.00 0.00 C ATOM 1436 CD GLU A 97 19.159 -1.511 -6.700 1.00 0.00 C ATOM 1437 OE1 GLU A 97 20.033 -0.782 -6.176 1.00 0.00 O ATOM 1438 OE2 GLU A 97 18.131 -1.028 -7.231 1.00 0.00 O ATOM 0 H GLU A 97 17.936 -5.669 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 97 20.338 -5.426 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.782 -3.323 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.514 -3.175 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.237 -3.258 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.512 -3.513 -7.204 1.00 0.00 H new ATOM 1445 N ASP A 98 21.708 -5.365 -3.937 1.00 0.00 N ATOM 1446 CA ASP A 98 22.462 -5.586 -2.716 1.00 0.00 C ATOM 1447 C ASP A 98 23.422 -4.423 -2.550 1.00 0.00 C ATOM 1448 O ASP A 98 24.334 -4.233 -3.358 1.00 0.00 O ATOM 1449 CB ASP A 98 23.206 -6.917 -2.712 1.00 0.00 C ATOM 1450 CG ASP A 98 23.873 -7.165 -1.355 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.917 -6.571 -1.017 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.391 -8.060 -0.633 1.00 0.00 O ATOM 0 H ASP A 98 22.270 -4.997 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 98 21.769 -5.639 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.512 -7.727 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.960 -6.919 -3.499 1.00 0.00 H new ATOM 1457 N TRP A 99 23.174 -3.601 -1.539 1.00 0.00 N ATOM 1458 CA TRP A 99 23.988 -2.449 -1.208 1.00 0.00 C ATOM 1459 C TRP A 99 25.019 -2.924 -0.190 1.00 0.00 C ATOM 1460 O TRP A 99 24.970 -2.534 0.973 1.00 0.00 O ATOM 1461 CB TRP A 99 23.108 -1.291 -0.717 1.00 0.00 C ATOM 1462 CG TRP A 99 22.026 -0.828 -1.639 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.895 -1.083 -2.963 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.862 -0.039 -1.280 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.717 -0.537 -3.430 1.00 0.00 N ATOM 1466 CE2 TRP A 99 20.005 0.065 -2.416 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.443 0.580 -0.084 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.747 0.677 -2.337 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.185 1.201 -0.003 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.328 1.215 -1.113 1.00 0.00 C ATOM 0 H TRP A 99 22.379 -3.724 -0.912 1.00 0.00 H new ATOM 0 HA TRP A 99 24.512 -2.047 -2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.647 -1.590 0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.755 -0.441 -0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.606 -1.631 -3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.412 -0.574 -4.403 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.095 0.577 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 18.110 0.733 -3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.876 1.670 0.919 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.340 1.643 -1.024 1.00 0.00 H new ATOM 1481 N GLN A 100 25.911 -3.815 -0.634 1.00 0.00 N ATOM 1482 CA GLN A 100 27.029 -4.378 0.122 1.00 0.00 C ATOM 1483 C GLN A 100 27.608 -3.366 1.121 1.00 0.00 C ATOM 1484 O GLN A 100 27.686 -3.640 2.318 1.00 0.00 O ATOM 1485 CB GLN A 100 28.110 -4.937 -0.824 1.00 0.00 C ATOM 1486 CG GLN A 100 28.828 -3.995 -1.799 1.00 0.00 C ATOM 1487 CD GLN A 100 27.894 -3.261 -2.756 1.00 0.00 C ATOM 1488 OE1 GLN A 100 27.522 -2.119 -2.503 1.00 0.00 O ATOM 1489 NE2 GLN A 100 27.447 -3.915 -3.819 1.00 0.00 N ATOM 0 H GLN A 100 25.868 -4.182 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 100 26.645 -5.212 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.873 -5.408 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.648 -5.727 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.395 -3.261 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.548 -4.571 -2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.771 -4.863 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.779 -3.470 -4.448 1.00 0.00 H new ATOM 1498 N LEU A 101 27.921 -2.185 0.577 1.00 0.00 N ATOM 1499 CA LEU A 101 28.568 -1.019 1.177 1.00 0.00 C ATOM 1500 C LEU A 101 29.726 -1.357 2.133 1.00 0.00 C ATOM 1501 O LEU A 101 30.247 -2.475 2.171 1.00 0.00 O ATOM 1502 CB LEU A 101 27.502 -0.062 1.798 1.00 0.00 C ATOM 1503 CG LEU A 101 27.061 1.126 0.918 1.00 0.00 C ATOM 1504 CD1 LEU A 101 28.174 2.170 0.776 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.611 0.685 -0.477 1.00 0.00 C ATOM 0 H LEU A 101 27.702 -2.006 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 101 29.064 -0.482 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.619 -0.649 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.899 0.333 2.733 1.00 0.00 H new ATOM 0 HG LEU A 101 26.210 1.573 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.825 2.991 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.441 2.553 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.049 1.709 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.311 1.559 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.434 0.180 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.767 0.002 -0.388 1.00 0.00 H new ATOM 1517 N GLU A 102 30.202 -0.331 2.841 1.00 0.00 N ATOM 1518 CA GLU A 102 31.137 -0.455 3.937 1.00 0.00 C ATOM 1519 C GLU A 102 30.545 -1.242 5.104 1.00 0.00 C ATOM 1520 O GLU A 102 29.371 -1.615 5.130 1.00 0.00 O ATOM 1521 CB GLU A 102 31.602 0.948 4.373 1.00 0.00 C ATOM 1522 CG GLU A 102 32.956 1.282 3.753 1.00 0.00 C ATOM 1523 CD GLU A 102 34.114 0.385 4.246 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.978 -0.294 5.294 1.00 0.00 O ATOM 1525 OE2 GLU A 102 35.172 0.352 3.571 1.00 0.00 O ATOM 0 H GLU A 102 29.933 0.635 2.654 1.00 0.00 H new ATOM 0 HA GLU A 102 32.002 -1.023 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.864 1.692 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.673 0.992 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.879 1.194 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 102 33.197 2.322 3.972 1.00 0.00 H new ATOM 1532 N ASP A 103 31.397 -1.458 6.090 1.00 0.00 N ATOM 1533 CA ASP A 103 31.231 -2.319 7.251 1.00 0.00 C ATOM 1534 C ASP A 103 31.525 -1.472 8.497 1.00 0.00 C ATOM 1535 O ASP A 103 32.689 -1.155 8.767 1.00 0.00 O ATOM 1536 CB ASP A 103 32.207 -3.492 7.144 1.00 0.00 C ATOM 1537 CG ASP A 103 32.207 -4.324 8.428 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.225 -4.228 9.201 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.169 -5.107 8.623 1.00 0.00 O ATOM 0 H ASP A 103 32.305 -0.994 6.101 1.00 0.00 H new ATOM 0 HA ASP A 103 30.220 -2.723 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.932 -4.122 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.212 -3.117 6.949 1.00 0.00 H new ATOM 1544 N PRO A 104 30.492 -1.044 9.247 1.00 0.00 N ATOM 1545 CA PRO A 104 30.674 -0.276 10.465 1.00 0.00 C ATOM 1546 C PRO A 104 31.103 -1.148 11.654 1.00 0.00 C ATOM 1547 O PRO A 104 31.357 -0.567 12.703 1.00 0.00 O ATOM 1548 CB PRO A 104 29.323 0.399 10.723 1.00 0.00 C ATOM 1549 CG PRO A 104 28.332 -0.627 10.179 1.00 0.00 C ATOM 1550 CD PRO A 104 29.074 -1.238 8.985 1.00 0.00 C ATOM 0 HA PRO A 104 31.479 0.450 10.351 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.163 0.595 11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.242 1.355 10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.083 -1.381 10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.396 -0.159 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.839 -2.297 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.780 -0.753 8.054 1.00 0.00 H new ATOM 1558 N ASP A 105 31.185 -2.486 11.508 1.00 0.00 N ATOM 1559 CA ASP A 105 31.588 -3.498 12.497 1.00 0.00 C ATOM 1560 C ASP A 105 31.485 -3.017 13.954 1.00 0.00 C ATOM 1561 O ASP A 105 30.405 -3.032 14.544 1.00 0.00 O ATOM 1562 CB ASP A 105 33.008 -3.999 12.171 1.00 0.00 C ATOM 1563 CG ASP A 105 33.468 -5.076 13.171 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.675 -5.989 13.505 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.628 -4.992 13.639 1.00 0.00 O ATOM 0 H ASP A 105 30.950 -2.921 10.616 1.00 0.00 H new ATOM 0 HA ASP A 105 30.879 -4.322 12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.028 -4.407 11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.705 -3.161 12.191 1.00 0.00 H new ATOM 1570 N GLY A 106 32.600 -2.531 14.493 1.00 0.00 N ATOM 1571 CA GLY A 106 32.729 -1.822 15.763 1.00 0.00 C ATOM 1572 C GLY A 106 33.639 -0.605 15.569 1.00 0.00 C ATOM 1573 O GLY A 106 34.542 -0.358 16.375 1.00 0.00 O ATOM 0 H GLY A 106 33.499 -2.629 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.748 -1.505 16.118 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.144 -2.484 16.523 1.00 0.00 H new ATOM 1577 N GLN A 107 33.472 0.079 14.433 1.00 0.00 N ATOM 1578 CA GLN A 107 34.338 1.147 13.947 1.00 0.00 C ATOM 1579 C GLN A 107 34.147 2.462 14.699 1.00 0.00 C ATOM 1580 O GLN A 107 33.327 2.598 15.612 1.00 0.00 O ATOM 1581 CB GLN A 107 34.122 1.342 12.429 1.00 0.00 C ATOM 1582 CG GLN A 107 34.696 0.138 11.664 1.00 0.00 C ATOM 1583 CD GLN A 107 35.564 0.561 10.479 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.645 1.120 10.656 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.128 0.311 9.258 1.00 0.00 N ATOM 0 H GLN A 107 32.693 -0.108 13.802 1.00 0.00 H new ATOM 0 HA GLN A 107 35.367 0.841 14.134 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.059 1.448 12.214 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.607 2.260 12.098 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.288 -0.473 12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.877 -0.486 11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.230 -0.153 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.689 0.582 8.451 1.00 0.00 H new ATOM 1594 N SER A 108 34.952 3.432 14.270 1.00 0.00 N ATOM 1595 CA SER A 108 34.876 4.817 14.682 1.00 0.00 C ATOM 1596 C SER A 108 33.526 5.405 14.263 1.00 0.00 C ATOM 1597 O SER A 108 32.904 4.948 13.296 1.00 0.00 O ATOM 1598 CB SER A 108 36.061 5.578 14.061 1.00 0.00 C ATOM 1599 OG SER A 108 36.208 5.256 12.682 1.00 0.00 O ATOM 0 H SER A 108 35.702 3.260 13.600 1.00 0.00 H new ATOM 0 HA SER A 108 34.943 4.906 15.766 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.907 6.651 14.173 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.978 5.330 14.596 1.00 0.00 H new ATOM 0 HG SER A 108 36.966 5.753 12.309 1.00 0.00 H new ATOM 1605 N LEU A 109 33.112 6.476 14.950 1.00 0.00 N ATOM 1606 CA LEU A 109 31.887 7.201 14.617 1.00 0.00 C ATOM 1607 C LEU A 109 31.934 7.700 13.181 1.00 0.00 C ATOM 1608 O LEU A 109 30.900 7.779 12.538 1.00 0.00 O ATOM 1609 CB LEU A 109 31.650 8.392 15.567 1.00 0.00 C ATOM 1610 CG LEU A 109 31.379 8.053 17.047 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.865 9.304 17.778 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.385 6.900 17.240 1.00 0.00 C ATOM 0 H LEU A 109 33.616 6.861 15.749 1.00 0.00 H new ATOM 0 HA LEU A 109 31.059 6.501 14.733 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.523 9.043 15.521 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.804 8.966 15.189 1.00 0.00 H new ATOM 0 HG LEU A 109 32.328 7.721 17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.674 9.062 18.824 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.614 10.093 17.719 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.941 9.645 17.310 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.243 6.717 18.305 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.430 7.163 16.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.776 6.000 16.766 1.00 0.00 H new ATOM 1624 N GLU A 110 33.119 8.003 12.654 1.00 0.00 N ATOM 1625 CA GLU A 110 33.260 8.496 11.292 1.00 0.00 C ATOM 1626 C GLU A 110 32.779 7.468 10.287 1.00 0.00 C ATOM 1627 O GLU A 110 32.092 7.846 9.337 1.00 0.00 O ATOM 1628 CB GLU A 110 34.712 8.870 10.994 1.00 0.00 C ATOM 1629 CG GLU A 110 35.083 10.130 11.770 1.00 0.00 C ATOM 1630 CD GLU A 110 36.502 10.619 11.429 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.471 10.192 12.104 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.656 11.445 10.495 1.00 0.00 O ATOM 0 H GLU A 110 34.001 7.913 13.158 1.00 0.00 H new ATOM 0 HA GLU A 110 32.641 9.389 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.374 8.050 11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.844 9.037 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.364 10.918 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.015 9.931 12.839 1.00 0.00 H new ATOM 1639 N VAL A 111 33.084 6.180 10.477 1.00 0.00 N ATOM 1640 CA VAL A 111 32.601 5.199 9.528 1.00 0.00 C ATOM 1641 C VAL A 111 31.105 5.027 9.705 1.00 0.00 C ATOM 1642 O VAL A 111 30.410 5.021 8.698 1.00 0.00 O ATOM 1643 CB VAL A 111 33.399 3.884 9.595 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.865 2.917 8.525 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.888 4.148 9.334 1.00 0.00 C ATOM 0 H VAL A 111 33.640 5.813 11.249 1.00 0.00 H new ATOM 0 HA VAL A 111 32.769 5.560 8.513 1.00 0.00 H new ATOM 0 HB VAL A 111 33.285 3.450 10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.426 1.983 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.810 2.716 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.980 3.366 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.438 3.209 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 111 35.012 4.588 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.273 4.835 10.087 1.00 0.00 H new ATOM 1655 N PHE A 112 30.578 4.996 10.934 1.00 0.00 N ATOM 1656 CA PHE A 112 29.124 5.053 11.133 1.00 0.00 C ATOM 1657 C PHE A 112 28.489 6.225 10.363 1.00 0.00 C ATOM 1658 O PHE A 112 27.576 5.997 9.570 1.00 0.00 O ATOM 1659 CB PHE A 112 28.761 5.128 12.620 1.00 0.00 C ATOM 1660 CG PHE A 112 28.723 3.803 13.355 1.00 0.00 C ATOM 1661 CD1 PHE A 112 29.910 3.132 13.702 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.482 3.251 13.729 1.00 0.00 C ATOM 1663 CE1 PHE A 112 29.856 1.922 14.413 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.431 2.054 14.459 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.618 1.381 14.797 1.00 0.00 C ATOM 0 H PHE A 112 31.125 4.933 11.793 1.00 0.00 H new ATOM 0 HA PHE A 112 28.715 4.126 10.731 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.480 5.778 13.118 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.784 5.602 12.713 1.00 0.00 H new ATOM 0 HD1 PHE A 112 30.866 3.549 13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.566 3.752 13.453 1.00 0.00 H new ATOM 0 HE1 PHE A 112 30.770 1.405 14.666 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.477 1.648 14.762 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.578 0.453 15.349 1.00 0.00 H new ATOM 1675 N ARG A 113 29.000 7.454 10.513 1.00 0.00 N ATOM 1676 CA ARG A 113 28.476 8.637 9.809 1.00 0.00 C ATOM 1677 C ARG A 113 28.549 8.449 8.303 1.00 0.00 C ATOM 1678 O ARG A 113 27.592 8.753 7.591 1.00 0.00 O ATOM 1679 CB ARG A 113 29.280 9.906 10.162 1.00 0.00 C ATOM 1680 CG ARG A 113 29.059 10.414 11.594 1.00 0.00 C ATOM 1681 CD ARG A 113 29.750 11.760 11.827 1.00 0.00 C ATOM 1682 NE ARG A 113 29.368 12.317 13.137 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.153 12.941 14.021 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.443 13.166 13.770 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.627 13.337 15.173 1.00 0.00 N ATOM 0 H ARG A 113 29.789 7.659 11.126 1.00 0.00 H new ATOM 0 HA ARG A 113 27.440 8.754 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.341 9.701 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 113 29.013 10.698 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.990 10.515 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.441 9.680 12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.832 11.633 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.477 12.457 11.035 1.00 0.00 H new ATOM 0 HE ARG A 113 28.388 12.214 13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.852 12.860 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 113 32.021 13.644 14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.641 13.163 15.370 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.208 13.815 15.862 1.00 0.00 H new ATOM 1699 N THR A 114 29.684 7.962 7.821 1.00 0.00 N ATOM 1700 CA THR A 114 29.930 7.845 6.397 1.00 0.00 C ATOM 1701 C THR A 114 29.005 6.781 5.818 1.00 0.00 C ATOM 1702 O THR A 114 28.402 6.994 4.767 1.00 0.00 O ATOM 1703 CB THR A 114 31.412 7.512 6.169 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.221 8.551 6.690 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.751 7.333 4.685 1.00 0.00 C ATOM 0 H THR A 114 30.455 7.639 8.406 1.00 0.00 H new ATOM 0 HA THR A 114 29.718 8.784 5.886 1.00 0.00 H new ATOM 0 HB THR A 114 31.607 6.569 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.275 8.466 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.810 7.099 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.157 6.518 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.527 8.254 4.147 1.00 0.00 H new ATOM 1713 N VAL A 115 28.852 5.652 6.510 1.00 0.00 N ATOM 1714 CA VAL A 115 28.078 4.514 6.026 1.00 0.00 C ATOM 1715 C VAL A 115 26.632 4.960 5.923 1.00 0.00 C ATOM 1716 O VAL A 115 26.021 4.852 4.869 1.00 0.00 O ATOM 1717 CB VAL A 115 28.277 3.314 6.979 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.239 2.199 6.810 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.643 2.673 6.729 1.00 0.00 C ATOM 0 H VAL A 115 29.266 5.503 7.430 1.00 0.00 H new ATOM 0 HA VAL A 115 28.407 4.181 5.041 1.00 0.00 H new ATOM 0 HB VAL A 115 28.179 3.731 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.450 1.395 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.243 2.597 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.285 1.810 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.777 1.828 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.699 2.326 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.428 3.408 6.907 1.00 0.00 H new ATOM 1729 N ARG A 116 26.129 5.566 6.994 1.00 0.00 N ATOM 1730 CA ARG A 116 24.817 6.187 7.060 1.00 0.00 C ATOM 1731 C ARG A 116 24.580 7.094 5.857 1.00 0.00 C ATOM 1732 O ARG A 116 23.622 6.873 5.128 1.00 0.00 O ATOM 1733 CB ARG A 116 24.804 6.906 8.413 1.00 0.00 C ATOM 1734 CG ARG A 116 23.657 7.865 8.686 1.00 0.00 C ATOM 1735 CD ARG A 116 24.069 8.717 9.883 1.00 0.00 C ATOM 1736 NE ARG A 116 24.791 9.944 9.468 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.367 10.832 10.289 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.275 10.705 11.605 1.00 0.00 N ATOM 1739 NH2 ARG A 116 26.061 11.848 9.790 1.00 0.00 N ATOM 0 H ARG A 116 26.646 5.639 7.870 1.00 0.00 H new ATOM 0 HA ARG A 116 23.992 5.477 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.803 6.148 9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.737 7.462 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.461 8.491 7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.738 7.318 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.182 8.993 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.704 8.129 10.545 1.00 0.00 H new ATOM 0 HE ARG A 116 24.855 10.128 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.760 9.922 12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.720 11.390 12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.156 11.953 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.499 12.523 10.417 1.00 0.00 H new ATOM 1753 N GLY A 117 25.444 8.074 5.605 1.00 0.00 N ATOM 1754 CA GLY A 117 25.207 9.022 4.515 1.00 0.00 C ATOM 1755 C GLY A 117 25.196 8.324 3.159 1.00 0.00 C ATOM 1756 O GLY A 117 24.325 8.561 2.326 1.00 0.00 O ATOM 0 H GLY A 117 26.303 8.233 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.255 9.528 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.981 9.789 4.524 1.00 0.00 H new ATOM 1760 N GLN A 118 26.116 7.390 2.946 1.00 0.00 N ATOM 1761 CA GLN A 118 26.222 6.674 1.684 1.00 0.00 C ATOM 1762 C GLN A 118 24.998 5.787 1.467 1.00 0.00 C ATOM 1763 O GLN A 118 24.470 5.724 0.354 1.00 0.00 O ATOM 1764 CB GLN A 118 27.548 5.902 1.684 1.00 0.00 C ATOM 1765 CG GLN A 118 28.732 6.896 1.680 1.00 0.00 C ATOM 1766 CD GLN A 118 29.306 7.193 0.291 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.623 7.101 -0.727 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.577 7.554 0.209 1.00 0.00 N ATOM 0 H GLN A 118 26.807 7.110 3.642 1.00 0.00 H new ATOM 0 HA GLN A 118 26.234 7.363 0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.605 5.258 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.602 5.254 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.406 7.832 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.527 6.497 2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.141 7.630 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.992 7.757 -0.700 1.00 0.00 H new ATOM 1777 N VAL A 119 24.497 5.178 2.540 1.00 0.00 N ATOM 1778 CA VAL A 119 23.256 4.417 2.538 1.00 0.00 C ATOM 1779 C VAL A 119 22.111 5.363 2.196 1.00 0.00 C ATOM 1780 O VAL A 119 21.271 4.988 1.389 1.00 0.00 O ATOM 1781 CB VAL A 119 23.058 3.721 3.905 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.649 3.160 4.100 1.00 0.00 C ATOM 1783 CG2 VAL A 119 24.039 2.542 4.052 1.00 0.00 C ATOM 0 H VAL A 119 24.954 5.202 3.452 1.00 0.00 H new ATOM 0 HA VAL A 119 23.286 3.628 1.786 1.00 0.00 H new ATOM 0 HB VAL A 119 23.236 4.493 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.579 2.685 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.923 3.970 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.440 2.424 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.888 2.062 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.861 1.819 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 119 25.063 2.910 3.985 1.00 0.00 H new ATOM 1793 N LYS A 120 22.066 6.580 2.749 1.00 0.00 N ATOM 1794 CA LYS A 120 20.931 7.476 2.534 1.00 0.00 C ATOM 1795 C LYS A 120 20.745 7.789 1.059 1.00 0.00 C ATOM 1796 O LYS A 120 19.613 7.867 0.595 1.00 0.00 O ATOM 1797 CB LYS A 120 21.015 8.724 3.433 1.00 0.00 C ATOM 1798 CG LYS A 120 21.724 9.999 2.905 1.00 0.00 C ATOM 1799 CD LYS A 120 20.905 11.267 3.206 1.00 0.00 C ATOM 1800 CE LYS A 120 19.638 11.377 2.332 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.870 12.107 1.060 1.00 0.00 N ATOM 0 H LYS A 120 22.800 6.963 3.345 1.00 0.00 H new ATOM 0 HA LYS A 120 20.022 6.959 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.996 9.004 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.516 8.429 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.710 10.084 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.879 9.911 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.618 11.268 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.530 12.145 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.271 10.376 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.856 11.884 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 19.019 12.046 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 20.078 13.105 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.675 11.682 0.557 1.00 0.00 H new ATOM 1815 N GLU A 121 21.841 7.911 0.315 1.00 0.00 N ATOM 1816 CA GLU A 121 21.771 8.123 -1.119 1.00 0.00 C ATOM 1817 C GLU A 121 21.249 6.875 -1.818 1.00 0.00 C ATOM 1818 O GLU A 121 20.408 7.004 -2.704 1.00 0.00 O ATOM 1819 CB GLU A 121 23.145 8.507 -1.696 1.00 0.00 C ATOM 1820 CG GLU A 121 23.676 9.857 -1.206 1.00 0.00 C ATOM 1821 CD GLU A 121 22.719 11.019 -1.521 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.802 11.599 -2.630 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.873 11.353 -0.657 1.00 0.00 O ATOM 0 H GLU A 121 22.789 7.866 0.688 1.00 0.00 H new ATOM 0 HA GLU A 121 21.082 8.948 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.865 7.731 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.077 8.529 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.841 9.809 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.643 10.052 -1.669 1.00 0.00 H new ATOM 1830 N ARG A 122 21.698 5.665 -1.451 1.00 0.00 N ATOM 1831 CA ARG A 122 21.157 4.459 -2.087 1.00 0.00 C ATOM 1832 C ARG A 122 19.676 4.306 -1.770 1.00 0.00 C ATOM 1833 O ARG A 122 18.899 4.030 -2.679 1.00 0.00 O ATOM 1834 CB ARG A 122 21.903 3.182 -1.684 1.00 0.00 C ATOM 1835 CG ARG A 122 23.216 2.936 -2.436 1.00 0.00 C ATOM 1836 CD ARG A 122 24.340 3.853 -1.972 1.00 0.00 C ATOM 1837 NE ARG A 122 25.585 3.652 -2.732 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.654 4.453 -2.645 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.624 5.500 -1.828 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.739 4.206 -3.366 1.00 0.00 N ATOM 0 H ARG A 122 22.411 5.499 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 122 21.296 4.591 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 122 22.116 3.225 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.244 2.328 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.519 1.898 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.051 3.082 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 122 24.022 4.891 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.533 3.679 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 122 25.636 2.853 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.790 5.689 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 122 27.435 6.115 -1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.763 3.401 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 122 28.550 4.821 -3.294 1.00 0.00 H new ATOM 1854 N VAL A 123 19.275 4.566 -0.526 1.00 0.00 N ATOM 1855 CA VAL A 123 17.879 4.584 -0.133 1.00 0.00 C ATOM 1856 C VAL A 123 17.121 5.541 -1.046 1.00 0.00 C ATOM 1857 O VAL A 123 16.153 5.150 -1.691 1.00 0.00 O ATOM 1858 CB VAL A 123 17.785 4.963 1.357 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.346 5.240 1.772 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.333 3.871 2.285 1.00 0.00 C ATOM 0 H VAL A 123 19.919 4.771 0.238 1.00 0.00 H new ATOM 0 HA VAL A 123 17.418 3.602 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 123 18.394 5.861 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.317 5.504 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.949 6.065 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.741 4.349 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.240 4.194 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.766 2.952 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.383 3.690 2.054 1.00 0.00 H new ATOM 1870 N GLU A 124 17.576 6.780 -1.145 1.00 0.00 N ATOM 1871 CA GLU A 124 16.874 7.798 -1.893 1.00 0.00 C ATOM 1872 C GLU A 124 16.829 7.469 -3.387 1.00 0.00 C ATOM 1873 O GLU A 124 15.832 7.754 -4.043 1.00 0.00 O ATOM 1874 CB GLU A 124 17.524 9.127 -1.552 1.00 0.00 C ATOM 1875 CG GLU A 124 16.740 10.291 -2.139 1.00 0.00 C ATOM 1876 CD GLU A 124 17.343 11.659 -1.764 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.651 11.894 -0.570 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.504 12.518 -2.667 1.00 0.00 O ATOM 0 H GLU A 124 18.440 7.103 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 124 15.821 7.850 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.587 9.237 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.545 9.144 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.712 10.195 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.709 10.244 -1.788 1.00 0.00 H new ATOM 1885 N ASN A 125 17.862 6.812 -3.919 1.00 0.00 N ATOM 1886 CA ASN A 125 17.865 6.289 -5.282 1.00 0.00 C ATOM 1887 C ASN A 125 16.781 5.238 -5.475 1.00 0.00 C ATOM 1888 O ASN A 125 16.021 5.328 -6.433 1.00 0.00 O ATOM 1889 CB ASN A 125 19.224 5.684 -5.657 1.00 0.00 C ATOM 1890 CG ASN A 125 20.171 6.713 -6.266 1.00 0.00 C ATOM 1891 OD1 ASN A 125 20.273 6.834 -7.483 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.866 7.485 -5.444 1.00 0.00 N ATOM 0 H ASN A 125 18.726 6.628 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 125 17.665 7.136 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.684 5.252 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.073 4.869 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 125 21.497 8.193 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.770 7.372 -4.435 1.00 0.00 H new ATOM 1899 N LEU A 126 16.670 4.261 -4.570 1.00 0.00 N ATOM 1900 CA LEU A 126 15.603 3.254 -4.620 1.00 0.00 C ATOM 1901 C LEU A 126 14.257 3.943 -4.639 1.00 0.00 C ATOM 1902 O LEU A 126 13.435 3.656 -5.500 1.00 0.00 O ATOM 1903 CB LEU A 126 15.757 2.222 -3.485 1.00 0.00 C ATOM 1904 CG LEU A 126 14.491 1.747 -2.737 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.573 0.261 -2.431 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.290 2.426 -1.379 1.00 0.00 C ATOM 0 H LEU A 126 17.312 4.145 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 126 15.680 2.679 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.244 1.341 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.439 2.643 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 126 13.669 1.999 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.672 -0.052 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.662 -0.298 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.445 0.066 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.383 2.044 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.145 2.215 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.199 3.503 -1.521 1.00 0.00 H new ATOM 1918 N ILE A 127 14.066 4.892 -3.738 1.00 0.00 N ATOM 1919 CA ILE A 127 12.845 5.678 -3.636 1.00 0.00 C ATOM 1920 C ILE A 127 12.594 6.395 -4.962 1.00 0.00 C ATOM 1921 O ILE A 127 11.468 6.383 -5.446 1.00 0.00 O ATOM 1922 CB ILE A 127 13.038 6.631 -2.445 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.567 5.893 -1.178 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.359 8.001 -2.553 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.532 6.160 -0.031 1.00 0.00 C ATOM 0 H ILE A 127 14.768 5.144 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 127 11.959 5.070 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 127 14.099 6.880 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.565 6.224 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.507 4.822 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.567 8.582 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.744 8.530 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.282 7.866 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.191 5.634 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.527 5.807 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.570 7.230 0.171 1.00 0.00 H new ATOM 1937 N ALA A 128 13.625 6.958 -5.593 1.00 0.00 N ATOM 1938 CA ALA A 128 13.482 7.618 -6.877 1.00 0.00 C ATOM 1939 C ALA A 128 13.007 6.648 -7.964 1.00 0.00 C ATOM 1940 O ALA A 128 12.278 7.067 -8.866 1.00 0.00 O ATOM 1941 CB ALA A 128 14.784 8.329 -7.264 1.00 0.00 C ATOM 0 H ALA A 128 14.576 6.966 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 128 12.706 8.378 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.658 8.818 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 128 15.030 9.075 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.591 7.600 -7.329 1.00 0.00 H new ATOM 1947 N LYS A 129 13.373 5.362 -7.882 1.00 0.00 N ATOM 1948 CA LYS A 129 12.850 4.351 -8.780 1.00 0.00 C ATOM 1949 C LYS A 129 11.392 4.025 -8.469 1.00 0.00 C ATOM 1950 O LYS A 129 10.605 3.913 -9.412 1.00 0.00 O ATOM 1951 CB LYS A 129 13.677 3.057 -8.712 1.00 0.00 C ATOM 1952 CG LYS A 129 15.155 3.267 -9.045 1.00 0.00 C ATOM 1953 CD LYS A 129 15.935 1.991 -8.737 1.00 0.00 C ATOM 1954 CE LYS A 129 17.425 2.243 -8.987 1.00 0.00 C ATOM 1955 NZ LYS A 129 18.214 0.988 -9.088 1.00 0.00 N ATOM 0 H LYS A 129 14.036 5.006 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 129 12.916 4.766 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.594 2.633 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.256 2.328 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.268 3.529 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.554 4.099 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.773 1.691 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.581 1.173 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.542 2.815 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.826 2.854 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 19.201 1.216 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 18.183 0.485 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.811 0.383 -9.832 1.00 0.00 H new ATOM 1969 N ILE A 130 11.019 3.890 -7.187 1.00 0.00 N ATOM 1970 CA ILE A 130 9.725 3.340 -6.824 1.00 0.00 C ATOM 1971 C ILE A 130 8.628 4.295 -6.368 1.00 0.00 C ATOM 1972 O ILE A 130 7.491 4.102 -6.799 1.00 0.00 O ATOM 1973 CB ILE A 130 9.910 2.195 -5.814 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.500 2.523 -4.428 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.588 1.011 -6.529 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.725 1.257 -3.590 1.00 0.00 C ATOM 0 H ILE A 130 11.601 4.157 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 130 9.331 2.988 -7.777 1.00 0.00 H new ATOM 0 HB ILE A 130 8.903 1.925 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.446 3.050 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.827 3.196 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.726 0.191 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.961 0.678 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.558 1.326 -6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.142 1.531 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.775 0.744 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.419 0.596 -4.109 1.00 0.00 H new ATOM 1988 N SER A 131 8.918 5.241 -5.478 1.00 0.00 N ATOM 1989 CA SER A 131 7.919 6.059 -4.801 1.00 0.00 C ATOM 1990 C SER A 131 6.961 6.723 -5.790 1.00 0.00 C ATOM 1991 O SER A 131 7.400 7.566 -6.606 1.00 0.00 O ATOM 1992 CB SER A 131 8.601 7.057 -3.874 1.00 0.00 C ATOM 1993 OG SER A 131 9.248 6.310 -2.848 1.00 0.00 O ATOM 1994 OXT SER A 131 5.761 6.366 -5.737 1.00 0.00 O ATOM 0 H SER A 131 9.875 5.464 -5.203 1.00 0.00 H new ATOM 0 HA SER A 131 7.298 5.410 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.324 7.660 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.871 7.745 -3.446 1.00 0.00 H new ATOM 0 HG SER A 131 9.420 6.892 -2.079 1.00 0.00 H new TER 2000 SER A 131