USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 990 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 125 ASN : amide:sc= 0.727 K(o=2.8,f=-4.6!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 157:sc= 2.08 (180deg=1.12) USER MOD Set 2.1: A 16 GLN : amide:sc= 0.531 K(o=-0.13,f=-2.7) USER MOD Set 2.2: A 50 MET CE :methyl 144:sc= -0.658 (180deg=-2.07) USER MOD Set 3.1: A 33 THR OG1 : rot 157:sc= 0.597 USER MOD Set 3.2: A 73 TYR OH : rot 30:sc= 0.543 USER MOD Set 4.1: A 5 MET CE :methyl -163:sc= -0.0429 (180deg=-0.361) USER MOD Set 4.2: A 35 SER OG : rot -150:sc= 0.0968 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.157) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.569 K(o=0.57,f=-1.4!) USER MOD Single : A 12 SER OG : rot -53:sc= 0.792 USER MOD Single : A 13 SER OG : rot -43:sc= 1.28 USER MOD Single : A 15 SER OG : rot 140:sc= 0.465 USER MOD Single : A 17 MET CE :methyl 146:sc= -0.352 (180deg=-1.07) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 2.06 (180deg=1.96) USER MOD Single : A 24 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 90:sc= 0.0897 USER MOD Single : A 39 SER OG : rot -80:sc= 0.676 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00164 USER MOD Single : A 43 HIS : no HE2:sc= 0.377 K(o=0.38,f=-5.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.181 USER MOD Single : A 60 GLN : amide:sc= -0.838 X(o=-0.84,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 87:sc= 1.43 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 67 ASN : amide:sc= 1.2 K(o=1.2,f=-0.87) USER MOD Single : A 69 ASN : amide:sc= 0.391 K(o=0.39,f=-6.4!) USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 85 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.2) USER MOD Single : A 92 THR OG1 : rot -87:sc= 0.0689 USER MOD Single : A 93 GLN : amide:sc= -0.171 K(o=-0.17,f=-4.3!) USER MOD Single : A 100 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.27) USER MOD Single : A 107 GLN : amide:sc= 1.11 K(o=1.1,f=-0.82) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 85:sc= 0.777 USER MOD Single : A 118 GLN : amide:sc= 0.904 K(o=0.9,f=-4.2!) USER MOD Single : A 120 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.13) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.885 0.831 0.449 1.00 0.00 N ATOM 2 CA MET A 1 2.587 0.701 -0.869 1.00 0.00 C ATOM 3 C MET A 1 2.615 -0.766 -1.335 1.00 0.00 C ATOM 4 O MET A 1 2.825 -1.667 -0.524 1.00 0.00 O ATOM 5 CB MET A 1 4.051 1.227 -0.830 1.00 0.00 C ATOM 6 CG MET A 1 4.210 2.749 -0.692 1.00 0.00 C ATOM 7 SD MET A 1 3.674 3.741 -2.112 1.00 0.00 S ATOM 8 CE MET A 1 5.279 4.329 -2.721 1.00 0.00 C ATOM 0 H1 MET A 1 1.879 1.829 0.742 1.00 0.00 H new ATOM 0 H2 MET A 1 0.906 0.492 0.356 1.00 0.00 H new ATOM 0 H3 MET A 1 2.382 0.263 1.165 1.00 0.00 H new ATOM 0 HA MET A 1 2.017 1.314 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.567 0.750 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.556 0.909 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.649 3.074 0.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.260 2.968 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.144 4.822 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.702 5.036 -2.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.956 3.483 -2.838 1.00 0.00 H new ATOM 18 N LYS A 2 2.481 -1.020 -2.647 1.00 0.00 N ATOM 19 CA LYS A 2 2.718 -2.360 -3.221 1.00 0.00 C ATOM 20 C LYS A 2 4.224 -2.487 -3.339 1.00 0.00 C ATOM 21 O LYS A 2 4.812 -1.663 -4.031 1.00 0.00 O ATOM 22 CB LYS A 2 2.013 -2.559 -4.581 1.00 0.00 C ATOM 23 CG LYS A 2 0.564 -2.038 -4.598 1.00 0.00 C ATOM 24 CD LYS A 2 -0.068 -2.170 -5.994 1.00 0.00 C ATOM 25 CE LYS A 2 -1.241 -1.190 -6.184 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.489 -1.626 -5.492 1.00 0.00 N ATOM 0 H LYS A 2 2.210 -0.316 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 2 2.297 -3.137 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.584 -2.049 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.013 -3.620 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.032 -2.594 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.549 -0.993 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.689 -1.983 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.420 -3.191 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.950 -0.208 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.444 -1.078 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.240 -0.926 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.788 -2.550 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.310 -1.707 -4.471 1.00 0.00 H new ATOM 40 N LYS A 3 4.873 -3.430 -2.659 1.00 0.00 N ATOM 41 CA LYS A 3 6.324 -3.549 -2.795 1.00 0.00 C ATOM 42 C LYS A 3 6.612 -4.369 -4.035 1.00 0.00 C ATOM 43 O LYS A 3 5.982 -5.411 -4.228 1.00 0.00 O ATOM 44 CB LYS A 3 7.027 -4.093 -1.550 1.00 0.00 C ATOM 45 CG LYS A 3 6.544 -3.426 -0.261 1.00 0.00 C ATOM 46 CD LYS A 3 7.480 -3.761 0.900 1.00 0.00 C ATOM 47 CE LYS A 3 6.939 -3.075 2.156 1.00 0.00 C ATOM 48 NZ LYS A 3 7.767 -3.390 3.349 1.00 0.00 N ATOM 0 H LYS A 3 4.436 -4.102 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 3 6.744 -2.549 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.859 -5.168 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.102 -3.944 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.499 -2.346 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.533 -3.760 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.533 -4.840 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.492 -3.419 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.917 -1.996 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.911 -3.393 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.261 -3.099 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.950 -4.413 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.671 -2.878 3.289 1.00 0.00 H new ATOM 62 N VAL A 4 7.543 -3.890 -4.844 1.00 0.00 N ATOM 63 CA VAL A 4 7.856 -4.359 -6.177 1.00 0.00 C ATOM 64 C VAL A 4 9.300 -4.836 -6.145 1.00 0.00 C ATOM 65 O VAL A 4 10.130 -4.247 -5.453 1.00 0.00 O ATOM 66 CB VAL A 4 7.693 -3.230 -7.212 1.00 0.00 C ATOM 67 CG1 VAL A 4 7.350 -3.771 -8.605 1.00 0.00 C ATOM 68 CG2 VAL A 4 6.636 -2.176 -6.871 1.00 0.00 C ATOM 0 H VAL A 4 8.138 -3.110 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 4 7.179 -5.162 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 4 8.671 -2.749 -7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.244 -2.940 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.148 -4.431 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.414 -4.327 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.600 -1.427 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.661 -2.655 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.893 -1.695 -5.927 1.00 0.00 H new ATOM 78 N MET A 5 9.615 -5.844 -6.945 1.00 0.00 N ATOM 79 CA MET A 5 10.975 -6.311 -7.157 1.00 0.00 C ATOM 80 C MET A 5 11.146 -6.720 -8.611 1.00 0.00 C ATOM 81 O MET A 5 10.236 -7.310 -9.193 1.00 0.00 O ATOM 82 CB MET A 5 11.254 -7.461 -6.187 1.00 0.00 C ATOM 83 CG MET A 5 12.693 -7.977 -6.261 1.00 0.00 C ATOM 84 SD MET A 5 13.152 -9.128 -4.946 1.00 0.00 S ATOM 85 CE MET A 5 13.094 -8.039 -3.490 1.00 0.00 C ATOM 0 H MET A 5 8.919 -6.369 -7.474 1.00 0.00 H new ATOM 0 HA MET A 5 11.699 -5.521 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.046 -7.128 -5.170 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.569 -8.282 -6.400 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.839 -8.469 -7.223 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.372 -7.125 -6.232 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.633 -8.505 -2.665 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.558 -7.083 -3.732 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.056 -7.875 -3.199 1.00 0.00 H new ATOM 95 N PHE A 6 12.313 -6.432 -9.184 1.00 0.00 N ATOM 96 CA PHE A 6 12.671 -6.740 -10.553 1.00 0.00 C ATOM 97 C PHE A 6 14.045 -7.362 -10.467 1.00 0.00 C ATOM 98 O PHE A 6 14.953 -6.745 -9.917 1.00 0.00 O ATOM 99 CB PHE A 6 12.731 -5.460 -11.398 1.00 0.00 C ATOM 100 CG PHE A 6 11.432 -4.708 -11.542 1.00 0.00 C ATOM 101 CD1 PHE A 6 11.102 -3.748 -10.574 1.00 0.00 C ATOM 102 CD2 PHE A 6 10.568 -4.944 -12.629 1.00 0.00 C ATOM 103 CE1 PHE A 6 9.894 -3.044 -10.671 1.00 0.00 C ATOM 104 CE2 PHE A 6 9.373 -4.212 -12.739 1.00 0.00 C ATOM 105 CZ PHE A 6 9.028 -3.272 -11.753 1.00 0.00 C ATOM 0 H PHE A 6 13.062 -5.957 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 6 11.942 -7.400 -11.023 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.470 -4.791 -10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.091 -5.721 -12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.778 -3.552 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.822 -5.683 -13.374 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.628 -2.324 -9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.719 -4.372 -13.583 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.099 -2.726 -11.827 1.00 0.00 H new ATOM 115 N VAL A 7 14.216 -8.585 -10.953 1.00 0.00 N ATOM 116 CA VAL A 7 15.452 -9.296 -10.684 1.00 0.00 C ATOM 117 C VAL A 7 15.703 -10.310 -11.790 1.00 0.00 C ATOM 118 O VAL A 7 14.880 -11.181 -12.053 1.00 0.00 O ATOM 119 CB VAL A 7 15.381 -9.867 -9.241 1.00 0.00 C ATOM 120 CG1 VAL A 7 14.038 -10.524 -8.876 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.543 -10.816 -8.930 1.00 0.00 C ATOM 0 H VAL A 7 13.535 -9.091 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 7 16.327 -8.646 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 7 15.470 -8.985 -8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.080 -10.894 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.238 -9.789 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.843 -11.355 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.447 -11.187 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.523 -11.655 -9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.487 -10.281 -9.034 1.00 0.00 H new ATOM 131 N CYS A 8 16.830 -10.152 -12.481 1.00 0.00 N ATOM 132 CA CYS A 8 17.381 -11.123 -13.417 1.00 0.00 C ATOM 133 C CYS A 8 18.475 -11.904 -12.663 1.00 0.00 C ATOM 134 O CYS A 8 18.761 -11.592 -11.504 1.00 0.00 O ATOM 135 CB CYS A 8 17.893 -10.345 -14.645 1.00 0.00 C ATOM 136 SG CYS A 8 18.653 -11.296 -16.001 1.00 0.00 S ATOM 0 H CYS A 8 17.404 -9.313 -12.400 1.00 0.00 H new ATOM 0 HA CYS A 8 16.655 -11.849 -13.783 1.00 0.00 H new ATOM 0 HB2 CYS A 8 17.055 -9.784 -15.059 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.624 -9.615 -14.297 1.00 0.00 H new ATOM 141 N LYS A 9 19.120 -12.890 -13.306 1.00 0.00 N ATOM 142 CA LYS A 9 20.200 -13.677 -12.686 1.00 0.00 C ATOM 143 C LYS A 9 21.276 -12.758 -12.102 1.00 0.00 C ATOM 144 O LYS A 9 21.715 -12.977 -10.978 1.00 0.00 O ATOM 145 CB LYS A 9 20.829 -14.646 -13.711 1.00 0.00 C ATOM 146 CG LYS A 9 19.881 -15.775 -14.147 1.00 0.00 C ATOM 147 CD LYS A 9 20.588 -16.722 -15.134 1.00 0.00 C ATOM 148 CE LYS A 9 19.648 -17.853 -15.585 1.00 0.00 C ATOM 149 NZ LYS A 9 20.309 -18.780 -16.546 1.00 0.00 N ATOM 0 H LYS A 9 18.910 -13.164 -14.266 1.00 0.00 H new ATOM 0 HA LYS A 9 19.765 -14.262 -11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.138 -14.082 -14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.729 -15.084 -13.280 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.546 -16.334 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.992 -15.351 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.928 -16.159 -16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.474 -17.147 -14.663 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.312 -18.414 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.760 -17.423 -16.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.640 -19.527 -16.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.607 -18.250 -17.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.142 -19.211 -16.096 1.00 0.00 H new ATOM 163 N ARG A 10 21.648 -11.696 -12.827 1.00 0.00 N ATOM 164 CA ARG A 10 22.497 -10.626 -12.309 1.00 0.00 C ATOM 165 C ARG A 10 21.656 -9.372 -12.126 1.00 0.00 C ATOM 166 O ARG A 10 20.824 -9.065 -12.974 1.00 0.00 O ATOM 167 CB ARG A 10 23.673 -10.361 -13.271 1.00 0.00 C ATOM 168 CG ARG A 10 24.727 -11.482 -13.263 1.00 0.00 C ATOM 169 CD ARG A 10 25.906 -11.155 -14.191 1.00 0.00 C ATOM 170 NE ARG A 10 26.553 -9.882 -13.813 1.00 0.00 N ATOM 171 CZ ARG A 10 27.176 -9.027 -14.633 1.00 0.00 C ATOM 172 NH1 ARG A 10 27.476 -9.367 -15.883 1.00 0.00 N ATOM 173 NH2 ARG A 10 27.474 -7.805 -14.206 1.00 0.00 N ATOM 0 H ARG A 10 21.364 -11.558 -13.797 1.00 0.00 H new ATOM 0 HA ARG A 10 22.914 -10.922 -11.346 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.286 -10.242 -14.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 24.151 -9.420 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.093 -11.631 -12.247 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.266 -12.419 -13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.637 -11.962 -14.151 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.554 -11.094 -15.221 1.00 0.00 H new ATOM 0 HE ARG A 10 26.522 -9.628 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.231 -10.294 -16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 10 27.951 -8.701 -16.493 1.00 0.00 H new ATOM 0 HH21 ARG A 10 27.228 -7.522 -13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 10 27.949 -7.149 -14.827 1.00 0.00 H new ATOM 187 N ASN A 11 21.965 -8.582 -11.095 1.00 0.00 N ATOM 188 CA ASN A 11 21.419 -7.232 -10.891 1.00 0.00 C ATOM 189 C ASN A 11 21.666 -6.346 -12.116 1.00 0.00 C ATOM 190 O ASN A 11 20.824 -5.544 -12.504 1.00 0.00 O ATOM 191 CB ASN A 11 22.095 -6.599 -9.664 1.00 0.00 C ATOM 192 CG ASN A 11 21.557 -5.193 -9.412 1.00 0.00 C ATOM 193 OD1 ASN A 11 20.577 -5.024 -8.703 1.00 0.00 O ATOM 194 ND2 ASN A 11 22.175 -4.174 -9.993 1.00 0.00 N ATOM 0 H ASN A 11 22.615 -8.866 -10.362 1.00 0.00 H new ATOM 0 HA ASN A 11 20.343 -7.312 -10.736 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.922 -7.222 -8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 11 23.173 -6.558 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.834 -3.223 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 11 22.992 -4.341 -10.581 1.00 0.00 H new ATOM 201 N SER A 12 22.837 -6.504 -12.733 1.00 0.00 N ATOM 202 CA SER A 12 23.359 -5.626 -13.770 1.00 0.00 C ATOM 203 C SER A 12 22.597 -5.682 -15.099 1.00 0.00 C ATOM 204 O SER A 12 22.764 -4.773 -15.912 1.00 0.00 O ATOM 205 CB SER A 12 24.833 -6.006 -13.970 1.00 0.00 C ATOM 206 OG SER A 12 25.430 -6.330 -12.715 1.00 0.00 O ATOM 0 H SER A 12 23.467 -7.275 -12.514 1.00 0.00 H new ATOM 0 HA SER A 12 23.238 -4.595 -13.439 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.909 -6.856 -14.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.370 -5.179 -14.434 1.00 0.00 H new ATOM 0 HG SER A 12 25.284 -5.595 -12.084 1.00 0.00 H new ATOM 212 N SER A 13 21.758 -6.697 -15.312 1.00 0.00 N ATOM 213 CA SER A 13 21.151 -6.995 -16.604 1.00 0.00 C ATOM 214 C SER A 13 19.632 -7.042 -16.477 1.00 0.00 C ATOM 215 O SER A 13 19.131 -7.581 -15.500 1.00 0.00 O ATOM 216 CB SER A 13 21.755 -8.325 -17.086 1.00 0.00 C ATOM 217 OG SER A 13 23.159 -8.189 -17.210 1.00 0.00 O ATOM 0 H SER A 13 21.478 -7.345 -14.576 1.00 0.00 H new ATOM 0 HA SER A 13 21.361 -6.219 -17.340 1.00 0.00 H new ATOM 0 HB2 SER A 13 21.517 -9.121 -16.381 1.00 0.00 H new ATOM 0 HB3 SER A 13 21.320 -8.608 -18.045 1.00 0.00 H new ATOM 0 HG SER A 13 23.368 -7.333 -17.638 1.00 0.00 H new ATOM 223 N ARG A 14 18.889 -6.497 -17.453 1.00 0.00 N ATOM 224 CA ARG A 14 17.417 -6.335 -17.485 1.00 0.00 C ATOM 225 C ARG A 14 16.855 -5.496 -16.331 1.00 0.00 C ATOM 226 O ARG A 14 16.326 -4.417 -16.580 1.00 0.00 O ATOM 227 CB ARG A 14 16.696 -7.688 -17.671 1.00 0.00 C ATOM 228 CG ARG A 14 16.897 -8.364 -19.028 1.00 0.00 C ATOM 229 CD ARG A 14 18.213 -9.140 -19.193 1.00 0.00 C ATOM 230 NE ARG A 14 17.960 -10.283 -20.085 1.00 0.00 N ATOM 231 CZ ARG A 14 18.802 -11.219 -20.544 1.00 0.00 C ATOM 232 NH1 ARG A 14 20.071 -11.248 -20.154 1.00 0.00 N ATOM 233 NH2 ARG A 14 18.354 -12.114 -21.416 1.00 0.00 N ATOM 0 H ARG A 14 19.325 -6.132 -18.300 1.00 0.00 H new ATOM 0 HA ARG A 14 17.199 -5.740 -18.372 1.00 0.00 H new ATOM 0 HB2 ARG A 14 17.036 -8.370 -16.892 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.628 -7.534 -17.517 1.00 0.00 H new ATOM 0 HG2 ARG A 14 16.067 -9.050 -19.199 1.00 0.00 H new ATOM 0 HG3 ARG A 14 16.845 -7.602 -19.805 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.986 -8.495 -19.611 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.575 -9.485 -18.225 1.00 0.00 H new ATOM 0 HE ARG A 14 16.995 -10.377 -20.403 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.418 -10.551 -19.495 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.699 -11.967 -20.513 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.383 -12.082 -21.726 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.981 -12.834 -21.776 1.00 0.00 H new ATOM 247 N SER A 15 17.040 -5.922 -15.078 1.00 0.00 N ATOM 248 CA SER A 15 16.762 -5.165 -13.845 1.00 0.00 C ATOM 249 C SER A 15 17.293 -3.728 -13.990 1.00 0.00 C ATOM 250 O SER A 15 16.602 -2.781 -13.621 1.00 0.00 O ATOM 251 CB SER A 15 17.374 -5.911 -12.639 1.00 0.00 C ATOM 252 OG SER A 15 17.584 -7.294 -12.935 1.00 0.00 O ATOM 0 H SER A 15 17.407 -6.853 -14.882 1.00 0.00 H new ATOM 0 HA SER A 15 15.688 -5.092 -13.671 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.322 -5.448 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.713 -5.818 -11.777 1.00 0.00 H new ATOM 0 HG SER A 15 18.438 -7.584 -12.553 1.00 0.00 H new ATOM 258 N GLN A 16 18.450 -3.607 -14.667 1.00 0.00 N ATOM 259 CA GLN A 16 19.130 -2.426 -15.182 1.00 0.00 C ATOM 260 C GLN A 16 18.152 -1.281 -15.453 1.00 0.00 C ATOM 261 O GLN A 16 18.280 -0.260 -14.798 1.00 0.00 O ATOM 262 CB GLN A 16 19.900 -2.863 -16.456 1.00 0.00 C ATOM 263 CG GLN A 16 21.012 -1.889 -16.864 1.00 0.00 C ATOM 264 CD GLN A 16 21.621 -2.202 -18.234 1.00 0.00 C ATOM 265 OE1 GLN A 16 21.183 -1.654 -19.237 1.00 0.00 O ATOM 266 NE2 GLN A 16 22.631 -3.053 -18.293 1.00 0.00 N ATOM 0 H GLN A 16 18.988 -4.445 -14.888 1.00 0.00 H new ATOM 0 HA GLN A 16 19.828 -2.032 -14.444 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.335 -3.848 -16.288 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.195 -2.962 -17.281 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.611 -0.875 -16.876 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.799 -1.912 -16.111 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.976 -3.495 -17.441 1.00 0.00 H new ATOM 0 HE22 GLN A 16 23.066 -3.267 -19.191 1.00 0.00 H new ATOM 275 N MET A 17 17.176 -1.440 -16.362 1.00 0.00 N ATOM 276 CA MET A 17 16.179 -0.402 -16.626 1.00 0.00 C ATOM 277 C MET A 17 14.863 -0.634 -15.910 1.00 0.00 C ATOM 278 O MET A 17 14.164 0.329 -15.614 1.00 0.00 O ATOM 279 CB MET A 17 15.900 -0.248 -18.137 1.00 0.00 C ATOM 280 CG MET A 17 16.597 0.970 -18.734 1.00 0.00 C ATOM 281 SD MET A 17 15.682 2.538 -18.788 1.00 0.00 S ATOM 282 CE MET A 17 15.777 3.143 -17.080 1.00 0.00 C ATOM 0 H MET A 17 17.060 -2.282 -16.926 1.00 0.00 H new ATOM 0 HA MET A 17 16.620 0.514 -16.235 1.00 0.00 H new ATOM 0 HB2 MET A 17 16.232 -1.146 -18.659 1.00 0.00 H new ATOM 0 HB3 MET A 17 14.825 -0.164 -18.299 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.515 1.139 -18.170 1.00 0.00 H new ATOM 0 HG3 MET A 17 16.890 0.720 -19.754 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.830 4.232 -17.082 1.00 0.00 H new ATOM 0 HE2 MET A 17 14.891 2.824 -16.531 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.667 2.737 -16.599 1.00 0.00 H new ATOM 292 N ALA A 18 14.501 -1.889 -15.667 1.00 0.00 N ATOM 293 CA ALA A 18 13.158 -2.228 -15.194 1.00 0.00 C ATOM 294 C ALA A 18 12.847 -1.583 -13.850 1.00 0.00 C ATOM 295 O ALA A 18 11.836 -0.900 -13.717 1.00 0.00 O ATOM 296 CB ALA A 18 12.999 -3.748 -15.175 1.00 0.00 C ATOM 0 H ALA A 18 15.118 -2.692 -15.789 1.00 0.00 H new ATOM 0 HA ALA A 18 12.422 -1.818 -15.885 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.000 -4.005 -14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.142 -4.141 -16.181 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.742 -4.183 -14.507 1.00 0.00 H new ATOM 302 N GLU A 19 13.753 -1.699 -12.877 1.00 0.00 N ATOM 303 CA GLU A 19 13.539 -1.040 -11.589 1.00 0.00 C ATOM 304 C GLU A 19 13.638 0.473 -11.764 1.00 0.00 C ATOM 305 O GLU A 19 12.926 1.218 -11.093 1.00 0.00 O ATOM 306 CB GLU A 19 14.496 -1.612 -10.544 1.00 0.00 C ATOM 307 CG GLU A 19 15.935 -1.098 -10.570 1.00 0.00 C ATOM 308 CD GLU A 19 16.130 0.302 -9.958 1.00 0.00 C ATOM 309 OE1 GLU A 19 15.730 0.538 -8.797 1.00 0.00 O ATOM 310 OE2 GLU A 19 16.736 1.174 -10.624 1.00 0.00 O ATOM 0 H GLU A 19 14.621 -2.229 -12.952 1.00 0.00 H new ATOM 0 HA GLU A 19 12.535 -1.240 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.081 -1.409 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.520 -2.695 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.569 -1.805 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.281 -1.079 -11.603 1.00 0.00 H new ATOM 317 N GLY A 20 14.462 0.906 -12.728 1.00 0.00 N ATOM 318 CA GLY A 20 14.656 2.291 -13.107 1.00 0.00 C ATOM 319 C GLY A 20 13.324 2.929 -13.449 1.00 0.00 C ATOM 320 O GLY A 20 12.907 3.892 -12.813 1.00 0.00 O ATOM 0 H GLY A 20 15.030 0.265 -13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.130 2.836 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.327 2.351 -13.964 1.00 0.00 H new ATOM 324 N PHE A 21 12.602 2.362 -14.409 1.00 0.00 N ATOM 325 CA PHE A 21 11.317 2.919 -14.788 1.00 0.00 C ATOM 326 C PHE A 21 10.294 2.767 -13.697 1.00 0.00 C ATOM 327 O PHE A 21 9.435 3.636 -13.572 1.00 0.00 O ATOM 328 CB PHE A 21 10.791 2.271 -16.058 1.00 0.00 C ATOM 329 CG PHE A 21 11.273 2.996 -17.278 1.00 0.00 C ATOM 330 CD1 PHE A 21 10.980 4.365 -17.449 1.00 0.00 C ATOM 331 CD2 PHE A 21 12.026 2.296 -18.227 1.00 0.00 C ATOM 332 CE1 PHE A 21 11.428 5.019 -18.611 1.00 0.00 C ATOM 333 CE2 PHE A 21 12.469 2.950 -19.380 1.00 0.00 C ATOM 334 CZ PHE A 21 12.166 4.308 -19.579 1.00 0.00 C ATOM 0 H PHE A 21 12.882 1.531 -14.929 1.00 0.00 H new ATOM 0 HA PHE A 21 11.481 3.982 -14.964 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.114 1.231 -16.099 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.701 2.266 -16.042 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.420 4.903 -16.699 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.264 1.254 -18.069 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.207 6.065 -18.761 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.044 2.412 -20.118 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.500 4.808 -20.476 1.00 0.00 H new ATOM 344 N ALA A 22 10.357 1.706 -12.898 1.00 0.00 N ATOM 345 CA ALA A 22 9.321 1.498 -11.909 1.00 0.00 C ATOM 346 C ALA A 22 9.344 2.596 -10.848 1.00 0.00 C ATOM 347 O ALA A 22 8.276 3.040 -10.443 1.00 0.00 O ATOM 348 CB ALA A 22 9.469 0.100 -11.323 1.00 0.00 C ATOM 0 H ALA A 22 11.093 1.000 -12.917 1.00 0.00 H new ATOM 0 HA ALA A 22 8.340 1.563 -12.379 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.692 -0.066 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.372 -0.640 -12.118 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.449 0.004 -10.855 1.00 0.00 H new ATOM 354 N LYS A 23 10.517 3.122 -10.470 1.00 0.00 N ATOM 355 CA LYS A 23 10.554 4.253 -9.532 1.00 0.00 C ATOM 356 C LYS A 23 9.987 5.537 -10.155 1.00 0.00 C ATOM 357 O LYS A 23 9.523 6.407 -9.427 1.00 0.00 O ATOM 358 CB LYS A 23 11.966 4.430 -8.923 1.00 0.00 C ATOM 359 CG LYS A 23 12.989 5.177 -9.810 1.00 0.00 C ATOM 360 CD LYS A 23 14.253 4.383 -10.165 1.00 0.00 C ATOM 361 CE LYS A 23 15.136 4.069 -8.953 1.00 0.00 C ATOM 362 NZ LYS A 23 16.498 3.609 -9.337 1.00 0.00 N ATOM 0 H LYS A 23 11.429 2.794 -10.788 1.00 0.00 H new ATOM 0 HA LYS A 23 9.891 4.021 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.870 4.967 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.367 3.444 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.495 5.474 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.287 6.093 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.963 3.449 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.835 4.948 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.220 4.959 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.655 3.301 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.035 3.362 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.422 2.773 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.990 4.370 -9.848 1.00 0.00 H new ATOM 376 N THR A 24 10.007 5.651 -11.488 1.00 0.00 N ATOM 377 CA THR A 24 9.515 6.790 -12.237 1.00 0.00 C ATOM 378 C THR A 24 7.996 6.697 -12.416 1.00 0.00 C ATOM 379 O THR A 24 7.254 7.593 -12.019 1.00 0.00 O ATOM 380 CB THR A 24 10.348 6.869 -13.526 1.00 0.00 C ATOM 381 OG1 THR A 24 11.583 7.482 -13.211 1.00 0.00 O ATOM 382 CG2 THR A 24 9.683 7.640 -14.658 1.00 0.00 C ATOM 0 H THR A 24 10.383 4.918 -12.089 1.00 0.00 H new ATOM 0 HA THR A 24 9.646 7.737 -11.714 1.00 0.00 H new ATOM 0 HB THR A 24 10.469 5.849 -13.891 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.838 8.094 -13.933 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.339 7.646 -15.528 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.739 7.162 -14.919 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.494 8.665 -14.338 1.00 0.00 H new ATOM 390 N LEU A 25 7.529 5.593 -12.991 1.00 0.00 N ATOM 391 CA LEU A 25 6.138 5.388 -13.387 1.00 0.00 C ATOM 392 C LEU A 25 5.278 5.086 -12.161 1.00 0.00 C ATOM 393 O LEU A 25 4.116 5.486 -12.100 1.00 0.00 O ATOM 394 CB LEU A 25 6.082 4.207 -14.376 1.00 0.00 C ATOM 395 CG LEU A 25 6.835 4.411 -15.700 1.00 0.00 C ATOM 396 CD1 LEU A 25 6.933 3.060 -16.412 1.00 0.00 C ATOM 397 CD2 LEU A 25 6.153 5.442 -16.603 1.00 0.00 C ATOM 0 H LEU A 25 8.125 4.792 -13.201 1.00 0.00 H new ATOM 0 HA LEU A 25 5.751 6.290 -13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.486 3.324 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.037 3.996 -14.602 1.00 0.00 H new ATOM 0 HG LEU A 25 7.829 4.801 -15.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.465 3.184 -17.355 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.473 2.354 -15.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.931 2.678 -16.608 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.723 5.551 -17.526 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.142 5.108 -16.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.108 6.402 -16.089 1.00 0.00 H new ATOM 409 N GLY A 26 5.852 4.373 -11.186 1.00 0.00 N ATOM 410 CA GLY A 26 5.192 3.933 -9.967 1.00 0.00 C ATOM 411 C GLY A 26 5.361 4.909 -8.806 1.00 0.00 C ATOM 412 O GLY A 26 4.994 4.567 -7.680 1.00 0.00 O ATOM 0 H GLY A 26 6.827 4.079 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.129 3.796 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.590 2.961 -9.677 1.00 0.00 H new ATOM 416 N ALA A 27 5.943 6.090 -9.053 1.00 0.00 N ATOM 417 CA ALA A 27 6.248 7.088 -8.035 1.00 0.00 C ATOM 418 C ALA A 27 4.991 7.396 -7.208 1.00 0.00 C ATOM 419 O ALA A 27 3.949 7.756 -7.758 1.00 0.00 O ATOM 420 CB ALA A 27 6.784 8.362 -8.712 1.00 0.00 C ATOM 0 H ALA A 27 6.219 6.379 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 27 7.012 6.701 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.013 9.109 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.689 8.124 -9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.030 8.756 -9.394 1.00 0.00 H new ATOM 426 N GLY A 28 5.089 7.237 -5.884 1.00 0.00 N ATOM 427 CA GLY A 28 3.995 7.505 -4.951 1.00 0.00 C ATOM 428 C GLY A 28 2.896 6.434 -4.938 1.00 0.00 C ATOM 429 O GLY A 28 1.922 6.591 -4.200 1.00 0.00 O ATOM 0 H GLY A 28 5.942 6.914 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.406 7.599 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.546 8.466 -5.203 1.00 0.00 H new ATOM 433 N LYS A 29 3.026 5.350 -5.719 1.00 0.00 N ATOM 434 CA LYS A 29 2.048 4.252 -5.767 1.00 0.00 C ATOM 435 C LYS A 29 2.636 2.960 -5.211 1.00 0.00 C ATOM 436 O LYS A 29 1.953 2.238 -4.485 1.00 0.00 O ATOM 437 CB LYS A 29 1.543 4.025 -7.211 1.00 0.00 C ATOM 438 CG LYS A 29 0.946 5.286 -7.856 1.00 0.00 C ATOM 439 CD LYS A 29 0.426 4.990 -9.272 1.00 0.00 C ATOM 440 CE LYS A 29 -0.006 6.261 -10.026 1.00 0.00 C ATOM 441 NZ LYS A 29 -1.223 6.903 -9.454 1.00 0.00 N ATOM 0 H LYS A 29 3.822 5.210 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 29 1.204 4.541 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.370 3.669 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.789 3.238 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.132 5.664 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.703 6.069 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.204 4.482 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.420 4.306 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.814 6.979 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.193 6.009 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.460 7.752 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.018 6.233 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.041 7.173 -8.466 1.00 0.00 H new ATOM 455 N ILE A 30 3.885 2.642 -5.571 1.00 0.00 N ATOM 456 CA ILE A 30 4.503 1.340 -5.307 1.00 0.00 C ATOM 457 C ILE A 30 5.981 1.518 -4.910 1.00 0.00 C ATOM 458 O ILE A 30 6.611 2.499 -5.300 1.00 0.00 O ATOM 459 CB ILE A 30 4.261 0.410 -6.526 1.00 0.00 C ATOM 460 CG1 ILE A 30 4.947 0.925 -7.810 1.00 0.00 C ATOM 461 CG2 ILE A 30 2.754 0.219 -6.786 1.00 0.00 C ATOM 462 CD1 ILE A 30 4.682 0.087 -9.072 1.00 0.00 C ATOM 0 H ILE A 30 4.502 3.291 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 30 4.041 0.850 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 30 4.709 -0.550 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.616 1.947 -7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.023 0.964 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.613 -0.437 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.287 -0.228 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.294 1.186 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.206 0.529 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.040 -0.931 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.612 0.067 -9.278 1.00 0.00 H new ATOM 474 N ALA A 31 6.521 0.593 -4.102 1.00 0.00 N ATOM 475 CA ALA A 31 7.859 0.664 -3.505 1.00 0.00 C ATOM 476 C ALA A 31 8.772 -0.358 -4.171 1.00 0.00 C ATOM 477 O ALA A 31 8.663 -1.546 -3.890 1.00 0.00 O ATOM 478 CB ALA A 31 7.784 0.384 -1.997 1.00 0.00 C ATOM 0 H ALA A 31 6.018 -0.254 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 31 8.261 1.666 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.784 0.440 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.142 1.125 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.373 -0.612 -1.832 1.00 0.00 H new ATOM 484 N VAL A 32 9.655 0.067 -5.061 1.00 0.00 N ATOM 485 CA VAL A 32 10.579 -0.826 -5.748 1.00 0.00 C ATOM 486 C VAL A 32 11.774 -1.114 -4.833 1.00 0.00 C ATOM 487 O VAL A 32 12.355 -0.199 -4.245 1.00 0.00 O ATOM 488 CB VAL A 32 11.001 -0.153 -7.069 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.803 -1.116 -7.946 1.00 0.00 C ATOM 490 CG2 VAL A 32 9.792 0.352 -7.881 1.00 0.00 C ATOM 0 H VAL A 32 9.752 1.046 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 32 10.113 -1.783 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 32 11.618 0.701 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.087 -0.615 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.700 -1.431 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.194 -1.989 -8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.142 0.818 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.140 -0.487 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.238 1.083 -7.292 1.00 0.00 H new ATOM 500 N THR A 33 12.171 -2.383 -4.775 1.00 0.00 N ATOM 501 CA THR A 33 13.389 -2.860 -4.160 1.00 0.00 C ATOM 502 C THR A 33 13.887 -3.950 -5.097 1.00 0.00 C ATOM 503 O THR A 33 13.231 -4.977 -5.228 1.00 0.00 O ATOM 504 CB THR A 33 13.091 -3.443 -2.771 1.00 0.00 C ATOM 505 OG1 THR A 33 12.183 -2.660 -2.005 1.00 0.00 O ATOM 506 CG2 THR A 33 14.374 -3.669 -1.960 1.00 0.00 C ATOM 0 H THR A 33 11.617 -3.138 -5.179 1.00 0.00 H new ATOM 0 HA THR A 33 14.123 -2.067 -4.018 1.00 0.00 H new ATOM 0 HB THR A 33 12.611 -4.401 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.758 -3.223 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.119 -4.082 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.022 -4.366 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.893 -2.720 -1.828 1.00 0.00 H new ATOM 514 N SER A 34 15.001 -3.741 -5.792 1.00 0.00 N ATOM 515 CA SER A 34 15.557 -4.747 -6.690 1.00 0.00 C ATOM 516 C SER A 34 16.900 -5.191 -6.113 1.00 0.00 C ATOM 517 O SER A 34 17.936 -4.556 -6.311 1.00 0.00 O ATOM 518 CB SER A 34 15.558 -4.201 -8.113 1.00 0.00 C ATOM 519 OG SER A 34 14.186 -4.039 -8.468 1.00 0.00 O ATOM 0 H SER A 34 15.540 -2.876 -5.749 1.00 0.00 H new ATOM 0 HA SER A 34 14.959 -5.655 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.091 -3.252 -8.167 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.060 -4.887 -8.795 1.00 0.00 H new ATOM 0 HG SER A 34 13.887 -3.140 -8.217 1.00 0.00 H new ATOM 525 N SER A 35 16.818 -6.250 -5.308 1.00 0.00 N ATOM 526 CA SER A 35 17.897 -6.812 -4.505 1.00 0.00 C ATOM 527 C SER A 35 19.036 -7.351 -5.371 1.00 0.00 C ATOM 528 O SER A 35 20.155 -6.836 -5.315 1.00 0.00 O ATOM 529 CB SER A 35 17.281 -7.892 -3.615 1.00 0.00 C ATOM 530 OG SER A 35 16.364 -8.660 -4.388 1.00 0.00 O ATOM 0 H SER A 35 15.946 -6.766 -5.194 1.00 0.00 H new ATOM 0 HA SER A 35 18.355 -6.038 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.061 -8.535 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.770 -7.435 -2.768 1.00 0.00 H new ATOM 0 HG SER A 35 15.650 -8.997 -3.808 1.00 0.00 H new ATOM 536 N GLY A 36 18.738 -8.358 -6.197 1.00 0.00 N ATOM 537 CA GLY A 36 19.713 -9.073 -7.008 1.00 0.00 C ATOM 538 C GLY A 36 19.919 -10.470 -6.428 1.00 0.00 C ATOM 539 O GLY A 36 19.984 -10.649 -5.210 1.00 0.00 O ATOM 0 H GLY A 36 17.786 -8.703 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.366 -9.142 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.658 -8.530 -7.025 1.00 0.00 H new ATOM 543 N LEU A 37 19.989 -11.468 -7.313 1.00 0.00 N ATOM 544 CA LEU A 37 20.382 -12.831 -6.986 1.00 0.00 C ATOM 545 C LEU A 37 21.909 -12.899 -6.900 1.00 0.00 C ATOM 546 O LEU A 37 22.466 -13.514 -5.990 1.00 0.00 O ATOM 547 CB LEU A 37 19.858 -13.784 -8.070 1.00 0.00 C ATOM 548 CG LEU A 37 18.342 -14.046 -7.997 1.00 0.00 C ATOM 549 CD1 LEU A 37 17.826 -14.381 -9.402 1.00 0.00 C ATOM 550 CD2 LEU A 37 18.013 -15.221 -7.062 1.00 0.00 C ATOM 0 H LEU A 37 19.767 -11.342 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 37 19.958 -13.129 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.098 -13.370 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.385 -14.735 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 37 17.863 -13.149 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.753 -14.568 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.023 -13.543 -10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.335 -15.270 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.934 -15.375 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.500 -16.125 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.371 -14.998 -6.057 1.00 0.00 H new ATOM 562 N GLU A 38 22.562 -12.203 -7.830 1.00 0.00 N ATOM 563 CA GLU A 38 23.987 -11.957 -7.928 1.00 0.00 C ATOM 564 C GLU A 38 24.177 -10.507 -8.375 1.00 0.00 C ATOM 565 O GLU A 38 23.223 -9.853 -8.819 1.00 0.00 O ATOM 566 CB GLU A 38 24.632 -12.916 -8.946 1.00 0.00 C ATOM 567 CG GLU A 38 24.859 -14.303 -8.347 1.00 0.00 C ATOM 568 CD GLU A 38 25.609 -15.231 -9.317 1.00 0.00 C ATOM 569 OE1 GLU A 38 26.865 -15.236 -9.305 1.00 0.00 O ATOM 570 OE2 GLU A 38 24.958 -15.978 -10.088 1.00 0.00 O ATOM 0 H GLU A 38 22.056 -11.761 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 38 24.466 -12.127 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.992 -12.999 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.584 -12.504 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.427 -14.210 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.898 -14.748 -8.088 1.00 0.00 H new ATOM 577 N SER A 39 25.422 -10.034 -8.326 1.00 0.00 N ATOM 578 CA SER A 39 25.807 -8.669 -8.657 1.00 0.00 C ATOM 579 C SER A 39 25.204 -7.644 -7.691 1.00 0.00 C ATOM 580 O SER A 39 24.720 -7.998 -6.613 1.00 0.00 O ATOM 581 CB SER A 39 25.583 -8.417 -10.158 1.00 0.00 C ATOM 582 OG SER A 39 26.163 -9.443 -10.950 1.00 0.00 O ATOM 0 H SER A 39 26.214 -10.612 -8.045 1.00 0.00 H new ATOM 0 HA SER A 39 26.877 -8.530 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.514 -8.358 -10.363 1.00 0.00 H new ATOM 0 HB3 SER A 39 26.014 -7.455 -10.435 1.00 0.00 H new ATOM 0 HG SER A 39 27.126 -9.283 -11.038 1.00 0.00 H new ATOM 588 N SER A 40 25.298 -6.360 -8.054 1.00 0.00 N ATOM 589 CA SER A 40 25.023 -5.272 -7.119 1.00 0.00 C ATOM 590 C SER A 40 24.775 -3.941 -7.829 1.00 0.00 C ATOM 591 O SER A 40 23.789 -3.251 -7.563 1.00 0.00 O ATOM 592 CB SER A 40 26.273 -5.201 -6.217 1.00 0.00 C ATOM 593 OG SER A 40 27.470 -5.085 -6.985 1.00 0.00 O ATOM 0 H SER A 40 25.563 -6.052 -8.990 1.00 0.00 H new ATOM 0 HA SER A 40 24.111 -5.459 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.188 -4.348 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.325 -6.095 -5.595 1.00 0.00 H new ATOM 0 HG SER A 40 28.242 -5.041 -6.383 1.00 0.00 H new ATOM 599 N ARG A 41 25.661 -3.615 -8.773 1.00 0.00 N ATOM 600 CA ARG A 41 25.605 -2.421 -9.613 1.00 0.00 C ATOM 601 C ARG A 41 25.247 -2.825 -11.034 1.00 0.00 C ATOM 602 O ARG A 41 24.734 -3.919 -11.257 1.00 0.00 O ATOM 603 CB ARG A 41 26.930 -1.620 -9.455 1.00 0.00 C ATOM 604 CG ARG A 41 26.624 -0.207 -8.940 1.00 0.00 C ATOM 605 CD ARG A 41 27.856 0.703 -8.891 1.00 0.00 C ATOM 606 NE ARG A 41 28.149 1.274 -10.223 1.00 0.00 N ATOM 607 CZ ARG A 41 29.216 1.031 -11.000 1.00 0.00 C ATOM 608 NH1 ARG A 41 30.121 0.117 -10.656 1.00 0.00 N ATOM 609 NH2 ARG A 41 29.372 1.716 -12.129 1.00 0.00 N ATOM 0 H ARG A 41 26.470 -4.201 -8.980 1.00 0.00 H new ATOM 0 HA ARG A 41 24.816 -1.736 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 41 27.596 -2.134 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.448 -1.564 -10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 41 25.869 0.250 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 41 26.194 -0.278 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 41 27.689 1.508 -8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 41 28.717 0.136 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 41 27.460 1.928 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 41 30.009 -0.411 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 41 30.926 -0.055 -11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.684 2.419 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 41 30.180 1.538 -12.726 1.00 0.00 H new ATOM 623 N VAL A 42 25.400 -1.910 -11.980 1.00 0.00 N ATOM 624 CA VAL A 42 24.960 -2.039 -13.355 1.00 0.00 C ATOM 625 C VAL A 42 26.131 -1.747 -14.307 1.00 0.00 C ATOM 626 O VAL A 42 27.172 -1.244 -13.883 1.00 0.00 O ATOM 627 CB VAL A 42 23.750 -1.107 -13.552 1.00 0.00 C ATOM 628 CG1 VAL A 42 22.568 -1.467 -12.644 1.00 0.00 C ATOM 629 CG2 VAL A 42 24.107 0.361 -13.297 1.00 0.00 C ATOM 0 H VAL A 42 25.856 -1.016 -11.797 1.00 0.00 H new ATOM 0 HA VAL A 42 24.639 -3.055 -13.586 1.00 0.00 H new ATOM 0 HB VAL A 42 23.459 -1.246 -14.593 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.745 -0.776 -12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.242 -2.485 -12.858 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.876 -1.396 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.224 0.982 -13.448 1.00 0.00 H new ATOM 0 HG22 VAL A 42 24.461 0.477 -12.273 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.890 0.671 -13.989 1.00 0.00 H new ATOM 639 N HIS A 43 25.944 -2.046 -15.594 1.00 0.00 N ATOM 640 CA HIS A 43 26.941 -1.790 -16.630 1.00 0.00 C ATOM 641 C HIS A 43 27.038 -0.268 -16.896 1.00 0.00 C ATOM 642 O HIS A 43 26.031 0.428 -16.764 1.00 0.00 O ATOM 643 CB HIS A 43 26.596 -2.684 -17.837 1.00 0.00 C ATOM 644 CG HIS A 43 26.655 -4.164 -17.486 1.00 0.00 C ATOM 645 ND1 HIS A 43 25.673 -5.126 -17.659 1.00 0.00 N ATOM 646 CD2 HIS A 43 27.721 -4.802 -16.902 1.00 0.00 C ATOM 647 CE1 HIS A 43 26.152 -6.296 -17.211 1.00 0.00 C ATOM 648 NE2 HIS A 43 27.392 -6.151 -16.710 1.00 0.00 N ATOM 0 H HIS A 43 25.089 -2.476 -15.947 1.00 0.00 H new ATOM 0 HA HIS A 43 27.954 -2.063 -16.335 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.598 -2.437 -18.198 1.00 0.00 H new ATOM 0 HB3 HIS A 43 27.290 -2.477 -18.652 1.00 0.00 H new ATOM 0 HD1 HIS A 43 24.747 -4.971 -18.058 1.00 0.00 H new ATOM 0 HD2 HIS A 43 28.660 -4.340 -16.634 1.00 0.00 H new ATOM 0 HE1 HIS A 43 25.613 -7.231 -17.248 1.00 0.00 H new ATOM 656 N PRO A 44 28.214 0.278 -17.265 1.00 0.00 N ATOM 657 CA PRO A 44 28.467 1.726 -17.306 1.00 0.00 C ATOM 658 C PRO A 44 27.595 2.501 -18.291 1.00 0.00 C ATOM 659 O PRO A 44 26.970 3.488 -17.901 1.00 0.00 O ATOM 660 CB PRO A 44 29.953 1.878 -17.654 1.00 0.00 C ATOM 661 CG PRO A 44 30.304 0.558 -18.343 1.00 0.00 C ATOM 662 CD PRO A 44 29.434 -0.446 -17.596 1.00 0.00 C ATOM 0 HA PRO A 44 28.209 2.159 -16.340 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.125 2.730 -18.311 1.00 0.00 H new ATOM 0 HB3 PRO A 44 30.559 2.037 -16.762 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.073 0.582 -19.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.364 0.322 -18.252 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.219 -1.318 -18.214 1.00 0.00 H new ATOM 0 HD3 PRO A 44 29.933 -0.808 -16.697 1.00 0.00 H new ATOM 670 N THR A 45 27.520 2.060 -19.552 1.00 0.00 N ATOM 671 CA THR A 45 26.787 2.784 -20.591 1.00 0.00 C ATOM 672 C THR A 45 25.289 2.836 -20.259 1.00 0.00 C ATOM 673 O THR A 45 24.602 3.766 -20.680 1.00 0.00 O ATOM 674 CB THR A 45 27.091 2.155 -21.960 1.00 0.00 C ATOM 675 OG1 THR A 45 28.495 1.969 -22.087 1.00 0.00 O ATOM 676 CG2 THR A 45 26.565 2.968 -23.152 1.00 0.00 C ATOM 0 H THR A 45 27.962 1.200 -19.877 1.00 0.00 H new ATOM 0 HA THR A 45 27.117 3.822 -20.633 1.00 0.00 H new ATOM 0 HB THR A 45 26.563 1.202 -21.990 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.694 1.566 -22.958 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.820 2.458 -24.081 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.482 3.065 -23.077 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.020 3.959 -23.146 1.00 0.00 H new ATOM 684 N ALA A 46 24.796 1.899 -19.430 1.00 0.00 N ATOM 685 CA ALA A 46 23.427 1.919 -18.947 1.00 0.00 C ATOM 686 C ALA A 46 23.136 3.243 -18.280 1.00 0.00 C ATOM 687 O ALA A 46 22.211 3.933 -18.679 1.00 0.00 O ATOM 688 CB ALA A 46 23.173 0.779 -17.945 1.00 0.00 C ATOM 0 H ALA A 46 25.345 1.112 -19.083 1.00 0.00 H new ATOM 0 HA ALA A 46 22.767 1.782 -19.804 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.139 0.820 -17.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.356 -0.180 -18.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.844 0.888 -17.093 1.00 0.00 H new ATOM 694 N ILE A 47 23.942 3.615 -17.290 1.00 0.00 N ATOM 695 CA ILE A 47 23.652 4.764 -16.440 1.00 0.00 C ATOM 696 C ILE A 47 23.587 6.012 -17.316 1.00 0.00 C ATOM 697 O ILE A 47 22.702 6.834 -17.111 1.00 0.00 O ATOM 698 CB ILE A 47 24.725 4.863 -15.324 1.00 0.00 C ATOM 699 CG1 ILE A 47 24.587 3.678 -14.341 1.00 0.00 C ATOM 700 CG2 ILE A 47 24.630 6.188 -14.544 1.00 0.00 C ATOM 701 CD1 ILE A 47 25.866 3.388 -13.541 1.00 0.00 C ATOM 0 H ILE A 47 24.809 3.132 -17.056 1.00 0.00 H new ATOM 0 HA ILE A 47 22.688 4.657 -15.943 1.00 0.00 H new ATOM 0 HB ILE A 47 25.699 4.829 -15.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 23.774 3.887 -13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 47 24.308 2.785 -14.900 1.00 0.00 H new ATOM 0 HG21 ILE A 47 25.400 6.213 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.774 7.024 -15.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 23.648 6.266 -14.078 1.00 0.00 H new ATOM 0 HD11 ILE A 47 25.694 2.544 -12.873 1.00 0.00 H new ATOM 0 HD12 ILE A 47 26.678 3.147 -14.227 1.00 0.00 H new ATOM 0 HD13 ILE A 47 26.135 4.266 -12.954 1.00 0.00 H new ATOM 713 N ALA A 48 24.449 6.124 -18.329 1.00 0.00 N ATOM 714 CA ALA A 48 24.422 7.256 -19.237 1.00 0.00 C ATOM 715 C ALA A 48 23.099 7.310 -20.012 1.00 0.00 C ATOM 716 O ALA A 48 22.459 8.355 -20.046 1.00 0.00 O ATOM 717 CB ALA A 48 25.625 7.202 -20.186 1.00 0.00 C ATOM 0 H ALA A 48 25.175 5.438 -18.536 1.00 0.00 H new ATOM 0 HA ALA A 48 24.491 8.173 -18.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.594 8.056 -20.862 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.547 7.232 -19.606 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.590 6.279 -20.765 1.00 0.00 H new ATOM 723 N MET A 49 22.653 6.192 -20.592 1.00 0.00 N ATOM 724 CA MET A 49 21.405 6.138 -21.359 1.00 0.00 C ATOM 725 C MET A 49 20.191 6.362 -20.452 1.00 0.00 C ATOM 726 O MET A 49 19.199 7.012 -20.808 1.00 0.00 O ATOM 727 CB MET A 49 21.301 4.762 -22.030 1.00 0.00 C ATOM 728 CG MET A 49 22.387 4.586 -23.094 1.00 0.00 C ATOM 729 SD MET A 49 22.209 5.710 -24.502 1.00 0.00 S ATOM 730 CE MET A 49 23.865 6.426 -24.457 1.00 0.00 C ATOM 0 H MET A 49 23.146 5.300 -20.543 1.00 0.00 H new ATOM 0 HA MET A 49 21.415 6.928 -22.110 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.394 3.979 -21.278 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.318 4.650 -22.487 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.363 4.744 -22.635 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.367 3.558 -23.455 1.00 0.00 H new ATOM 0 HE1 MET A 49 23.967 7.158 -25.258 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.024 6.915 -23.496 1.00 0.00 H new ATOM 0 HE3 MET A 49 24.606 5.638 -24.590 1.00 0.00 H new ATOM 740 N MET A 50 20.270 5.841 -19.238 1.00 0.00 N ATOM 741 CA MET A 50 19.153 5.885 -18.328 1.00 0.00 C ATOM 742 C MET A 50 19.070 7.312 -17.783 1.00 0.00 C ATOM 743 O MET A 50 17.972 7.838 -17.619 1.00 0.00 O ATOM 744 CB MET A 50 19.269 4.768 -17.284 1.00 0.00 C ATOM 745 CG MET A 50 19.379 3.327 -17.857 1.00 0.00 C ATOM 746 SD MET A 50 19.022 3.007 -19.625 1.00 0.00 S ATOM 747 CE MET A 50 19.625 1.295 -19.884 1.00 0.00 C ATOM 0 H MET A 50 21.102 5.383 -18.866 1.00 0.00 H new ATOM 0 HA MET A 50 18.200 5.677 -18.814 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.145 4.962 -16.665 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.399 4.815 -16.629 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.394 2.980 -17.665 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.710 2.695 -17.273 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.967 0.779 -20.584 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.636 1.323 -20.290 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.631 0.763 -18.932 1.00 0.00 H new ATOM 757 N GLU A 51 20.203 8.006 -17.651 1.00 0.00 N ATOM 758 CA GLU A 51 20.259 9.415 -17.329 1.00 0.00 C ATOM 759 C GLU A 51 19.787 10.256 -18.522 1.00 0.00 C ATOM 760 O GLU A 51 19.298 11.368 -18.310 1.00 0.00 O ATOM 761 CB GLU A 51 21.672 9.784 -16.847 1.00 0.00 C ATOM 762 CG GLU A 51 21.786 11.234 -16.367 1.00 0.00 C ATOM 763 CD GLU A 51 23.160 11.503 -15.726 1.00 0.00 C ATOM 764 OE1 GLU A 51 24.140 11.768 -16.464 1.00 0.00 O ATOM 765 OE2 GLU A 51 23.268 11.470 -14.476 1.00 0.00 O ATOM 0 H GLU A 51 21.124 7.584 -17.770 1.00 0.00 H new ATOM 0 HA GLU A 51 19.576 9.637 -16.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.958 9.116 -16.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.380 9.620 -17.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.636 11.911 -17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.997 11.443 -15.644 1.00 0.00 H new ATOM 772 N GLU A 52 19.821 9.731 -19.754 1.00 0.00 N ATOM 773 CA GLU A 52 19.199 10.421 -20.881 1.00 0.00 C ATOM 774 C GLU A 52 17.674 10.439 -20.713 1.00 0.00 C ATOM 775 O GLU A 52 17.039 11.418 -21.118 1.00 0.00 O ATOM 776 CB GLU A 52 19.635 9.895 -22.260 1.00 0.00 C ATOM 777 CG GLU A 52 21.080 10.257 -22.623 1.00 0.00 C ATOM 778 CD GLU A 52 21.239 11.756 -22.943 1.00 0.00 C ATOM 779 OE1 GLU A 52 20.952 12.166 -24.095 1.00 0.00 O ATOM 780 OE2 GLU A 52 21.658 12.536 -22.052 1.00 0.00 O ATOM 0 H GLU A 52 20.267 8.844 -19.989 1.00 0.00 H new ATOM 0 HA GLU A 52 19.563 11.448 -20.862 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.525 8.811 -22.278 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.966 10.296 -23.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.738 9.991 -21.796 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.396 9.667 -23.484 1.00 0.00 H new ATOM 787 N VAL A 53 17.086 9.418 -20.073 1.00 0.00 N ATOM 788 CA VAL A 53 15.667 9.466 -19.660 1.00 0.00 C ATOM 789 C VAL A 53 15.511 10.046 -18.231 1.00 0.00 C ATOM 790 O VAL A 53 14.411 10.071 -17.677 1.00 0.00 O ATOM 791 CB VAL A 53 14.944 8.136 -19.970 1.00 0.00 C ATOM 792 CG1 VAL A 53 15.394 6.956 -19.101 1.00 0.00 C ATOM 793 CG2 VAL A 53 13.410 8.233 -19.940 1.00 0.00 C ATOM 0 H VAL A 53 17.564 8.551 -19.829 1.00 0.00 H new ATOM 0 HA VAL A 53 15.125 10.186 -20.273 1.00 0.00 H new ATOM 0 HB VAL A 53 15.252 7.935 -20.996 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.837 6.063 -19.384 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.460 6.781 -19.248 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.206 7.184 -18.052 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.979 7.258 -20.168 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.085 8.551 -18.949 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.077 8.959 -20.682 1.00 0.00 H new ATOM 803 N GLY A 54 16.589 10.576 -17.643 1.00 0.00 N ATOM 804 CA GLY A 54 16.581 11.253 -16.352 1.00 0.00 C ATOM 805 C GLY A 54 16.480 10.300 -15.156 1.00 0.00 C ATOM 806 O GLY A 54 16.105 10.741 -14.067 1.00 0.00 O ATOM 0 H GLY A 54 17.515 10.542 -18.069 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.491 11.846 -16.257 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.743 11.949 -16.322 1.00 0.00 H new ATOM 810 N ILE A 55 16.786 9.012 -15.340 1.00 0.00 N ATOM 811 CA ILE A 55 16.681 7.979 -14.310 1.00 0.00 C ATOM 812 C ILE A 55 18.084 7.508 -13.918 1.00 0.00 C ATOM 813 O ILE A 55 18.901 7.212 -14.789 1.00 0.00 O ATOM 814 CB ILE A 55 15.797 6.819 -14.801 1.00 0.00 C ATOM 815 CG1 ILE A 55 14.378 7.310 -15.169 1.00 0.00 C ATOM 816 CG2 ILE A 55 15.716 5.679 -13.765 1.00 0.00 C ATOM 817 CD1 ILE A 55 13.384 6.188 -15.474 1.00 0.00 C ATOM 0 H ILE A 55 17.122 8.652 -16.233 1.00 0.00 H new ATOM 0 HA ILE A 55 16.202 8.390 -13.422 1.00 0.00 H new ATOM 0 HB ILE A 55 16.270 6.422 -15.699 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.989 7.911 -14.347 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.447 7.965 -16.037 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.082 4.881 -14.151 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.716 5.289 -13.574 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.292 6.061 -12.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.414 6.619 -15.722 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.747 5.600 -16.317 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.282 5.545 -14.600 1.00 0.00 H new ATOM 829 N ASP A 56 18.354 7.373 -12.616 1.00 0.00 N ATOM 830 CA ASP A 56 19.567 6.711 -12.141 1.00 0.00 C ATOM 831 C ASP A 56 19.208 5.278 -11.745 1.00 0.00 C ATOM 832 O ASP A 56 18.133 5.008 -11.200 1.00 0.00 O ATOM 833 CB ASP A 56 20.261 7.469 -11.006 1.00 0.00 C ATOM 834 CG ASP A 56 21.560 6.754 -10.566 1.00 0.00 C ATOM 835 OD1 ASP A 56 22.214 6.092 -11.410 1.00 0.00 O ATOM 836 OD2 ASP A 56 21.918 6.857 -9.368 1.00 0.00 O ATOM 0 H ASP A 56 17.745 7.715 -11.873 1.00 0.00 H new ATOM 0 HA ASP A 56 20.299 6.698 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 56 20.494 8.483 -11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 56 19.584 7.555 -10.156 1.00 0.00 H new ATOM 841 N ILE A 57 20.112 4.354 -12.049 1.00 0.00 N ATOM 842 CA ILE A 57 19.961 2.909 -11.889 1.00 0.00 C ATOM 843 C ILE A 57 21.177 2.296 -11.174 1.00 0.00 C ATOM 844 O ILE A 57 21.102 1.143 -10.741 1.00 0.00 O ATOM 845 CB ILE A 57 19.681 2.271 -13.263 1.00 0.00 C ATOM 846 CG1 ILE A 57 20.793 2.617 -14.271 1.00 0.00 C ATOM 847 CG2 ILE A 57 18.317 2.738 -13.810 1.00 0.00 C ATOM 848 CD1 ILE A 57 20.928 1.562 -15.358 1.00 0.00 C ATOM 0 H ILE A 57 21.022 4.605 -12.436 1.00 0.00 H new ATOM 0 HA ILE A 57 19.107 2.698 -11.246 1.00 0.00 H new ATOM 0 HB ILE A 57 19.659 1.190 -13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.579 3.583 -14.728 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.742 2.717 -13.744 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.137 2.277 -14.781 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.528 2.445 -13.118 1.00 0.00 H new ATOM 0 HG23 ILE A 57 18.321 3.823 -13.919 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.724 1.848 -16.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.169 0.601 -14.904 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.988 1.480 -15.904 1.00 0.00 H new ATOM 860 N SER A 58 22.293 3.034 -11.093 1.00 0.00 N ATOM 861 CA SER A 58 23.440 2.710 -10.251 1.00 0.00 C ATOM 862 C SER A 58 22.992 2.589 -8.778 1.00 0.00 C ATOM 863 O SER A 58 21.910 3.048 -8.397 1.00 0.00 O ATOM 864 CB SER A 58 24.508 3.806 -10.373 1.00 0.00 C ATOM 865 OG SER A 58 25.787 3.230 -10.149 1.00 0.00 O ATOM 0 H SER A 58 22.420 3.894 -11.627 1.00 0.00 H new ATOM 0 HA SER A 58 23.861 1.760 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 58 24.468 4.262 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 58 24.319 4.598 -9.649 1.00 0.00 H new ATOM 0 HG SER A 58 26.476 3.923 -10.227 1.00 0.00 H new ATOM 871 N GLY A 59 23.837 1.971 -7.940 1.00 0.00 N ATOM 872 CA GLY A 59 23.571 1.789 -6.509 1.00 0.00 C ATOM 873 C GLY A 59 22.267 1.026 -6.257 1.00 0.00 C ATOM 874 O GLY A 59 21.563 1.312 -5.287 1.00 0.00 O ATOM 0 H GLY A 59 24.730 1.581 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.400 1.249 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.520 2.764 -6.024 1.00 0.00 H new ATOM 878 N GLN A 60 21.916 0.096 -7.157 1.00 0.00 N ATOM 879 CA GLN A 60 20.607 -0.543 -7.178 1.00 0.00 C ATOM 880 C GLN A 60 20.322 -1.411 -5.957 1.00 0.00 C ATOM 881 O GLN A 60 19.182 -1.459 -5.491 1.00 0.00 O ATOM 882 CB GLN A 60 20.515 -1.420 -8.434 1.00 0.00 C ATOM 883 CG GLN A 60 19.134 -1.310 -9.063 1.00 0.00 C ATOM 884 CD GLN A 60 19.070 -2.042 -10.401 1.00 0.00 C ATOM 885 OE1 GLN A 60 18.658 -3.192 -10.508 1.00 0.00 O ATOM 886 NE2 GLN A 60 19.482 -1.380 -11.467 1.00 0.00 N ATOM 0 H GLN A 60 22.542 -0.231 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 60 19.865 0.256 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.274 -1.114 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.721 -2.459 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.389 -1.725 -8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.882 -0.260 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.824 -0.424 -11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.458 -1.825 -12.384 1.00 0.00 H new ATOM 895 N THR A 61 21.340 -2.137 -5.497 1.00 0.00 N ATOM 896 CA THR A 61 21.156 -3.163 -4.491 1.00 0.00 C ATOM 897 C THR A 61 20.972 -2.532 -3.106 1.00 0.00 C ATOM 898 O THR A 61 21.035 -1.311 -2.917 1.00 0.00 O ATOM 899 CB THR A 61 22.273 -4.223 -4.568 1.00 0.00 C ATOM 900 OG1 THR A 61 21.946 -5.383 -3.830 1.00 0.00 O ATOM 901 CG2 THR A 61 23.635 -3.713 -4.079 1.00 0.00 C ATOM 0 H THR A 61 22.304 -2.027 -5.812 1.00 0.00 H new ATOM 0 HA THR A 61 20.234 -3.708 -4.692 1.00 0.00 H new ATOM 0 HB THR A 61 22.354 -4.460 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.434 -5.997 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.373 -4.511 -4.161 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.947 -2.866 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.554 -3.400 -3.038 1.00 0.00 H new ATOM 909 N SER A 62 20.752 -3.405 -2.135 1.00 0.00 N ATOM 910 CA SER A 62 20.369 -3.067 -0.777 1.00 0.00 C ATOM 911 C SER A 62 20.796 -4.215 0.144 1.00 0.00 C ATOM 912 O SER A 62 21.573 -4.022 1.083 1.00 0.00 O ATOM 913 CB SER A 62 18.855 -2.813 -0.778 1.00 0.00 C ATOM 914 OG SER A 62 18.146 -3.851 -1.452 1.00 0.00 O ATOM 0 H SER A 62 20.840 -4.411 -2.280 1.00 0.00 H new ATOM 0 HA SER A 62 20.858 -2.166 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.498 -2.736 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.647 -1.858 -1.260 1.00 0.00 H new ATOM 0 HG SER A 62 17.185 -3.658 -1.432 1.00 0.00 H new ATOM 920 N ASP A 63 20.357 -5.423 -0.198 1.00 0.00 N ATOM 921 CA ASP A 63 20.761 -6.709 0.361 1.00 0.00 C ATOM 922 C ASP A 63 20.564 -7.742 -0.757 1.00 0.00 C ATOM 923 O ASP A 63 19.740 -7.504 -1.651 1.00 0.00 O ATOM 924 CB ASP A 63 19.894 -7.095 1.577 1.00 0.00 C ATOM 925 CG ASP A 63 20.691 -7.089 2.892 1.00 0.00 C ATOM 926 OD1 ASP A 63 21.517 -8.009 3.101 1.00 0.00 O ATOM 927 OD2 ASP A 63 20.466 -6.194 3.743 1.00 0.00 O ATOM 0 H ASP A 63 19.655 -5.537 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 63 21.794 -6.664 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.058 -6.400 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.470 -8.086 1.417 1.00 0.00 H new ATOM 932 N PRO A 64 21.269 -8.887 -0.747 1.00 0.00 N ATOM 933 CA PRO A 64 20.958 -9.988 -1.649 1.00 0.00 C ATOM 934 C PRO A 64 19.523 -10.452 -1.392 1.00 0.00 C ATOM 935 O PRO A 64 19.054 -10.420 -0.250 1.00 0.00 O ATOM 936 CB PRO A 64 21.973 -11.096 -1.341 1.00 0.00 C ATOM 937 CG PRO A 64 23.117 -10.351 -0.651 1.00 0.00 C ATOM 938 CD PRO A 64 22.399 -9.229 0.095 1.00 0.00 C ATOM 0 HA PRO A 64 21.025 -9.701 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.546 -11.863 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 64 22.310 -11.596 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 64 23.668 -11.000 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 64 23.836 -9.961 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 64 22.072 -9.556 1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.054 -8.371 0.245 1.00 0.00 H new ATOM 946 N ILE A 65 18.841 -10.943 -2.431 1.00 0.00 N ATOM 947 CA ILE A 65 17.423 -11.308 -2.358 1.00 0.00 C ATOM 948 C ILE A 65 17.136 -12.311 -1.235 1.00 0.00 C ATOM 949 O ILE A 65 16.058 -12.305 -0.645 1.00 0.00 O ATOM 950 CB ILE A 65 16.972 -11.832 -3.738 1.00 0.00 C ATOM 951 CG1 ILE A 65 15.438 -11.985 -3.797 1.00 0.00 C ATOM 952 CG2 ILE A 65 17.678 -13.137 -4.142 1.00 0.00 C ATOM 953 CD1 ILE A 65 14.897 -12.230 -5.210 1.00 0.00 C ATOM 0 H ILE A 65 19.258 -11.099 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 65 16.842 -10.421 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 65 17.272 -11.082 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.139 -12.813 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.976 -11.085 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 65 17.320 -13.456 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.754 -12.970 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.461 -13.911 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.812 -12.327 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.164 -11.391 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.330 -13.146 -5.611 1.00 0.00 H new ATOM 965 N GLU A 66 18.116 -13.152 -0.906 1.00 0.00 N ATOM 966 CA GLU A 66 17.944 -14.248 0.037 1.00 0.00 C ATOM 967 C GLU A 66 17.664 -13.720 1.449 1.00 0.00 C ATOM 968 O GLU A 66 16.997 -14.380 2.250 1.00 0.00 O ATOM 969 CB GLU A 66 19.210 -15.123 0.088 1.00 0.00 C ATOM 970 CG GLU A 66 19.896 -15.315 -1.268 1.00 0.00 C ATOM 971 CD GLU A 66 21.043 -16.337 -1.185 1.00 0.00 C ATOM 972 OE1 GLU A 66 20.794 -17.552 -1.382 1.00 0.00 O ATOM 973 OE2 GLU A 66 22.207 -15.932 -0.939 1.00 0.00 O ATOM 0 H GLU A 66 19.058 -13.088 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 66 17.096 -14.840 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 66 19.921 -14.674 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.946 -16.101 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.163 -15.649 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.285 -14.359 -1.618 1.00 0.00 H new ATOM 980 N ASN A 67 18.199 -12.532 1.746 1.00 0.00 N ATOM 981 CA ASN A 67 18.083 -11.888 3.050 1.00 0.00 C ATOM 982 C ASN A 67 16.710 -11.232 3.255 1.00 0.00 C ATOM 983 O ASN A 67 16.409 -10.796 4.370 1.00 0.00 O ATOM 984 CB ASN A 67 19.231 -10.880 3.265 1.00 0.00 C ATOM 985 CG ASN A 67 20.590 -11.535 3.525 1.00 0.00 C ATOM 986 OD1 ASN A 67 20.704 -12.743 3.729 1.00 0.00 O ATOM 987 ND2 ASN A 67 21.660 -10.758 3.550 1.00 0.00 N ATOM 0 H ASN A 67 18.734 -11.984 1.072 1.00 0.00 H new ATOM 0 HA ASN A 67 18.169 -12.667 3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 67 19.309 -10.240 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 67 18.982 -10.235 4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.578 -11.160 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 67 21.567 -9.756 3.381 1.00 0.00 H new ATOM 994 N PHE A 68 15.873 -11.150 2.216 1.00 0.00 N ATOM 995 CA PHE A 68 14.518 -10.612 2.292 1.00 0.00 C ATOM 996 C PHE A 68 13.489 -11.724 2.485 1.00 0.00 C ATOM 997 O PHE A 68 13.768 -12.895 2.206 1.00 0.00 O ATOM 998 CB PHE A 68 14.179 -9.856 1.004 1.00 0.00 C ATOM 999 CG PHE A 68 14.827 -8.503 0.901 1.00 0.00 C ATOM 1000 CD1 PHE A 68 14.198 -7.403 1.505 1.00 0.00 C ATOM 1001 CD2 PHE A 68 16.044 -8.349 0.216 1.00 0.00 C ATOM 1002 CE1 PHE A 68 14.782 -6.128 1.407 1.00 0.00 C ATOM 1003 CE2 PHE A 68 16.622 -7.072 0.109 1.00 0.00 C ATOM 1004 CZ PHE A 68 15.993 -5.962 0.706 1.00 0.00 C ATOM 0 H PHE A 68 16.128 -11.464 1.279 1.00 0.00 H new ATOM 0 HA PHE A 68 14.481 -9.939 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.484 -10.460 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.098 -9.736 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.270 -7.535 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.532 -9.206 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.303 -5.277 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 68 17.548 -6.942 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.440 -4.982 0.626 1.00 0.00 H new ATOM 1014 N ASN A 69 12.284 -11.344 2.931 1.00 0.00 N ATOM 1015 CA ASN A 69 11.139 -12.228 2.943 1.00 0.00 C ATOM 1016 C ASN A 69 10.299 -11.898 1.729 1.00 0.00 C ATOM 1017 O ASN A 69 9.897 -10.744 1.555 1.00 0.00 O ATOM 1018 CB ASN A 69 10.277 -12.105 4.199 1.00 0.00 C ATOM 1019 CG ASN A 69 9.324 -13.286 4.375 1.00 0.00 C ATOM 1020 OD1 ASN A 69 9.039 -14.027 3.438 1.00 0.00 O ATOM 1021 ND2 ASN A 69 8.788 -13.474 5.571 1.00 0.00 N ATOM 0 H ASN A 69 12.088 -10.410 3.292 1.00 0.00 H new ATOM 0 HA ASN A 69 11.508 -13.253 2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.924 -12.031 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.700 -11.181 4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.132 -14.240 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.032 -12.853 6.342 1.00 0.00 H new ATOM 1028 N ALA A 70 9.974 -12.899 0.926 1.00 0.00 N ATOM 1029 CA ALA A 70 9.212 -12.672 -0.267 1.00 0.00 C ATOM 1030 C ALA A 70 7.771 -12.379 0.102 1.00 0.00 C ATOM 1031 O ALA A 70 7.062 -11.694 -0.634 1.00 0.00 O ATOM 1032 CB ALA A 70 9.306 -13.887 -1.181 1.00 0.00 C ATOM 0 H ALA A 70 10.231 -13.873 1.089 1.00 0.00 H new ATOM 0 HA ALA A 70 9.615 -11.812 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.725 -13.708 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.348 -14.062 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.912 -14.762 -0.664 1.00 0.00 H new ATOM 1038 N ASP A 71 7.337 -12.886 1.256 1.00 0.00 N ATOM 1039 CA ASP A 71 5.978 -12.712 1.709 1.00 0.00 C ATOM 1040 C ASP A 71 5.654 -11.233 1.969 1.00 0.00 C ATOM 1041 O ASP A 71 4.488 -10.833 1.936 1.00 0.00 O ATOM 1042 CB ASP A 71 5.753 -13.523 2.987 1.00 0.00 C ATOM 1043 CG ASP A 71 4.298 -13.417 3.474 1.00 0.00 C ATOM 1044 OD1 ASP A 71 3.391 -13.946 2.785 1.00 0.00 O ATOM 1045 OD2 ASP A 71 4.061 -12.852 4.569 1.00 0.00 O ATOM 0 H ASP A 71 7.924 -13.425 1.893 1.00 0.00 H new ATOM 0 HA ASP A 71 5.313 -13.068 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.001 -14.568 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.426 -13.168 3.768 1.00 0.00 H new ATOM 1050 N ASP A 72 6.685 -10.408 2.207 1.00 0.00 N ATOM 1051 CA ASP A 72 6.522 -8.983 2.444 1.00 0.00 C ATOM 1052 C ASP A 72 6.190 -8.220 1.154 1.00 0.00 C ATOM 1053 O ASP A 72 5.592 -7.140 1.193 1.00 0.00 O ATOM 1054 CB ASP A 72 7.809 -8.421 3.045 1.00 0.00 C ATOM 1055 CG ASP A 72 7.610 -6.988 3.571 1.00 0.00 C ATOM 1056 OD1 ASP A 72 6.674 -6.751 4.373 1.00 0.00 O ATOM 1057 OD2 ASP A 72 8.427 -6.095 3.247 1.00 0.00 O ATOM 0 H ASP A 72 7.655 -10.721 2.239 1.00 0.00 H new ATOM 0 HA ASP A 72 5.688 -8.853 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.143 -9.065 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.596 -8.426 2.291 1.00 0.00 H new ATOM 1062 N TYR A 73 6.584 -8.785 0.010 1.00 0.00 N ATOM 1063 CA TYR A 73 6.431 -8.193 -1.306 1.00 0.00 C ATOM 1064 C TYR A 73 5.060 -8.501 -1.902 1.00 0.00 C ATOM 1065 O TYR A 73 4.501 -9.578 -1.690 1.00 0.00 O ATOM 1066 CB TYR A 73 7.598 -8.572 -2.234 1.00 0.00 C ATOM 1067 CG TYR A 73 8.829 -7.749 -1.907 1.00 0.00 C ATOM 1068 CD1 TYR A 73 9.567 -8.028 -0.741 1.00 0.00 C ATOM 1069 CD2 TYR A 73 9.137 -6.612 -2.677 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.537 -7.123 -0.285 1.00 0.00 C ATOM 1071 CE2 TYR A 73 10.110 -5.701 -2.230 1.00 0.00 C ATOM 1072 CZ TYR A 73 10.784 -5.931 -1.004 1.00 0.00 C ATOM 1073 OH TYR A 73 11.635 -5.006 -0.482 1.00 0.00 O ATOM 0 H TYR A 73 7.034 -9.700 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 73 6.474 -7.109 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.824 -9.633 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 73 7.311 -8.410 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.386 -8.942 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.625 -6.439 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.095 -7.337 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.344 -4.827 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 73 12.312 -5.456 0.065 1.00 0.00 H new ATOM 1083 N ASP A 74 4.521 -7.542 -2.664 1.00 0.00 N ATOM 1084 CA ASP A 74 3.212 -7.664 -3.313 1.00 0.00 C ATOM 1085 C ASP A 74 3.362 -8.071 -4.777 1.00 0.00 C ATOM 1086 O ASP A 74 2.533 -8.817 -5.298 1.00 0.00 O ATOM 1087 CB ASP A 74 2.448 -6.344 -3.220 1.00 0.00 C ATOM 1088 CG ASP A 74 1.049 -6.484 -3.849 1.00 0.00 C ATOM 1089 OD1 ASP A 74 0.139 -7.007 -3.161 1.00 0.00 O ATOM 1090 OD2 ASP A 74 0.848 -6.031 -5.000 1.00 0.00 O ATOM 0 H ASP A 74 4.985 -6.653 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 74 2.651 -8.441 -2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.355 -6.044 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.005 -5.558 -3.730 1.00 0.00 H new ATOM 1095 N VAL A 75 4.444 -7.628 -5.427 1.00 0.00 N ATOM 1096 CA VAL A 75 4.698 -7.846 -6.839 1.00 0.00 C ATOM 1097 C VAL A 75 6.185 -8.149 -7.040 1.00 0.00 C ATOM 1098 O VAL A 75 7.050 -7.456 -6.500 1.00 0.00 O ATOM 1099 CB VAL A 75 4.180 -6.637 -7.653 1.00 0.00 C ATOM 1100 CG1 VAL A 75 4.197 -5.269 -6.944 1.00 0.00 C ATOM 1101 CG2 VAL A 75 4.866 -6.562 -9.027 1.00 0.00 C ATOM 0 H VAL A 75 5.181 -7.095 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 75 4.153 -8.713 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 75 3.117 -6.845 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.810 -4.505 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.573 -5.314 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.219 -5.019 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.483 -5.703 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.942 -6.456 -8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.659 -7.474 -9.587 1.00 0.00 H new ATOM 1111 N VAL A 76 6.494 -9.168 -7.841 1.00 0.00 N ATOM 1112 CA VAL A 76 7.864 -9.583 -8.102 1.00 0.00 C ATOM 1113 C VAL A 76 7.928 -10.035 -9.558 1.00 0.00 C ATOM 1114 O VAL A 76 7.012 -10.702 -10.053 1.00 0.00 O ATOM 1115 CB VAL A 76 8.248 -10.717 -7.139 1.00 0.00 C ATOM 1116 CG1 VAL A 76 9.654 -11.266 -7.441 1.00 0.00 C ATOM 1117 CG2 VAL A 76 8.208 -10.312 -5.652 1.00 0.00 C ATOM 0 H VAL A 76 5.795 -9.729 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 76 8.570 -8.769 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 76 7.490 -11.482 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.891 -12.066 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.682 -11.655 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.387 -10.466 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.491 -11.165 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.905 -9.492 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.200 -9.993 -5.389 1.00 0.00 H new ATOM 1127 N ILE A 77 9.015 -9.671 -10.233 1.00 0.00 N ATOM 1128 CA ILE A 77 9.271 -9.981 -11.623 1.00 0.00 C ATOM 1129 C ILE A 77 10.602 -10.729 -11.665 1.00 0.00 C ATOM 1130 O ILE A 77 11.617 -10.185 -11.210 1.00 0.00 O ATOM 1131 CB ILE A 77 9.364 -8.678 -12.444 1.00 0.00 C ATOM 1132 CG1 ILE A 77 8.260 -7.629 -12.152 1.00 0.00 C ATOM 1133 CG2 ILE A 77 9.447 -8.999 -13.945 1.00 0.00 C ATOM 1134 CD1 ILE A 77 6.821 -8.064 -12.448 1.00 0.00 C ATOM 0 H ILE A 77 9.766 -9.131 -9.803 1.00 0.00 H new ATOM 0 HA ILE A 77 8.470 -10.585 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 77 10.284 -8.195 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.324 -7.347 -11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.475 -6.734 -12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.512 -8.071 -14.513 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.332 -9.606 -14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.556 -9.549 -14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.138 -7.250 -12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.727 -8.314 -13.505 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.574 -8.937 -11.845 1.00 0.00 H new ATOM 1146 N SER A 78 10.617 -11.928 -12.243 1.00 0.00 N ATOM 1147 CA SER A 78 11.849 -12.627 -12.543 1.00 0.00 C ATOM 1148 C SER A 78 12.121 -12.268 -13.992 1.00 0.00 C ATOM 1149 O SER A 78 11.433 -12.744 -14.882 1.00 0.00 O ATOM 1150 CB SER A 78 11.677 -14.135 -12.397 1.00 0.00 C ATOM 1151 OG SER A 78 11.609 -14.519 -11.034 1.00 0.00 O ATOM 0 H SER A 78 9.774 -12.435 -12.513 1.00 0.00 H new ATOM 0 HA SER A 78 12.659 -12.348 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.769 -14.450 -12.911 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.510 -14.646 -12.879 1.00 0.00 H new ATOM 0 HG SER A 78 11.339 -15.459 -10.972 1.00 0.00 H new ATOM 1157 N LEU A 79 13.092 -11.397 -14.258 1.00 0.00 N ATOM 1158 CA LEU A 79 13.260 -10.831 -15.597 1.00 0.00 C ATOM 1159 C LEU A 79 13.897 -11.784 -16.606 1.00 0.00 C ATOM 1160 O LEU A 79 14.051 -11.388 -17.760 1.00 0.00 O ATOM 1161 CB LEU A 79 14.040 -9.509 -15.506 1.00 0.00 C ATOM 1162 CG LEU A 79 13.130 -8.356 -15.090 1.00 0.00 C ATOM 1163 CD1 LEU A 79 13.972 -7.152 -14.704 1.00 0.00 C ATOM 1164 CD2 LEU A 79 12.190 -7.920 -16.214 1.00 0.00 C ATOM 0 H LEU A 79 13.770 -11.069 -13.571 1.00 0.00 H new ATOM 0 HA LEU A 79 12.259 -10.644 -15.985 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.852 -9.612 -14.786 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.496 -9.286 -16.471 1.00 0.00 H new ATOM 0 HG LEU A 79 12.534 -8.715 -14.251 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.319 -6.331 -14.408 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.624 -7.416 -13.871 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.578 -6.844 -15.556 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.564 -7.098 -15.867 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.777 -7.592 -17.072 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.558 -8.759 -16.505 1.00 0.00 H new ATOM 1176 N CYS A 80 14.326 -12.976 -16.183 1.00 0.00 N ATOM 1177 CA CYS A 80 15.133 -13.866 -16.997 1.00 0.00 C ATOM 1178 C CYS A 80 14.766 -15.317 -16.671 1.00 0.00 C ATOM 1179 O CYS A 80 15.546 -16.028 -16.035 1.00 0.00 O ATOM 1180 CB CYS A 80 16.620 -13.550 -16.729 1.00 0.00 C ATOM 1181 SG CYS A 80 17.119 -11.869 -17.211 1.00 0.00 S ATOM 0 H CYS A 80 14.117 -13.347 -15.256 1.00 0.00 H new ATOM 0 HA CYS A 80 14.945 -13.721 -18.061 1.00 0.00 H new ATOM 0 HB2 CYS A 80 16.824 -13.688 -15.667 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.236 -14.269 -17.268 1.00 0.00 H new ATOM 1186 N GLY A 81 13.581 -15.751 -17.099 1.00 0.00 N ATOM 1187 CA GLY A 81 13.041 -17.077 -16.828 1.00 0.00 C ATOM 1188 C GLY A 81 12.205 -17.078 -15.547 1.00 0.00 C ATOM 1189 O GLY A 81 12.058 -16.047 -14.887 1.00 0.00 O ATOM 0 H GLY A 81 12.955 -15.172 -17.659 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.426 -17.402 -17.668 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.857 -17.794 -16.734 1.00 0.00 H new ATOM 1193 N SER A 82 11.635 -18.236 -15.207 1.00 0.00 N ATOM 1194 CA SER A 82 10.636 -18.366 -14.152 1.00 0.00 C ATOM 1195 C SER A 82 11.298 -18.641 -12.796 1.00 0.00 C ATOM 1196 O SER A 82 11.685 -17.704 -12.093 1.00 0.00 O ATOM 1197 CB SER A 82 9.575 -19.392 -14.586 1.00 0.00 C ATOM 1198 OG SER A 82 10.192 -20.585 -15.066 1.00 0.00 O ATOM 0 H SER A 82 11.859 -19.120 -15.665 1.00 0.00 H new ATOM 0 HA SER A 82 10.106 -17.426 -14.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.924 -19.627 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.945 -18.963 -15.366 1.00 0.00 H new ATOM 0 HG SER A 82 9.501 -21.225 -15.335 1.00 0.00 H new ATOM 1204 N GLY A 83 11.442 -19.921 -12.434 1.00 0.00 N ATOM 1205 CA GLY A 83 12.109 -20.353 -11.208 1.00 0.00 C ATOM 1206 C GLY A 83 13.620 -20.324 -11.369 1.00 0.00 C ATOM 1207 O GLY A 83 14.304 -19.846 -10.474 1.00 0.00 O ATOM 0 H GLY A 83 11.091 -20.696 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.815 -19.705 -10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.787 -21.362 -10.951 1.00 0.00 H new ATOM 1211 N VAL A 84 14.132 -20.770 -12.522 1.00 0.00 N ATOM 1212 CA VAL A 84 15.544 -20.727 -12.913 1.00 0.00 C ATOM 1213 C VAL A 84 16.512 -21.155 -11.790 1.00 0.00 C ATOM 1214 O VAL A 84 16.768 -22.354 -11.641 1.00 0.00 O ATOM 1215 CB VAL A 84 15.889 -19.422 -13.678 1.00 0.00 C ATOM 1216 CG1 VAL A 84 15.337 -19.518 -15.108 1.00 0.00 C ATOM 1217 CG2 VAL A 84 15.370 -18.114 -13.051 1.00 0.00 C ATOM 0 H VAL A 84 13.544 -21.191 -13.242 1.00 0.00 H new ATOM 0 HA VAL A 84 15.711 -21.512 -13.650 1.00 0.00 H new ATOM 0 HB VAL A 84 16.976 -19.357 -13.641 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.576 -18.604 -15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.788 -20.371 -15.616 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.255 -19.647 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.671 -17.269 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.282 -18.148 -12.986 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.789 -17.998 -12.052 1.00 0.00 H new ATOM 1227 N ASN A 85 17.052 -20.209 -11.013 1.00 0.00 N ATOM 1228 CA ASN A 85 17.939 -20.459 -9.871 1.00 0.00 C ATOM 1229 C ASN A 85 17.597 -19.473 -8.743 1.00 0.00 C ATOM 1230 O ASN A 85 18.464 -18.816 -8.163 1.00 0.00 O ATOM 1231 CB ASN A 85 19.416 -20.382 -10.301 1.00 0.00 C ATOM 1232 CG ASN A 85 20.366 -20.848 -9.192 1.00 0.00 C ATOM 1233 OD1 ASN A 85 19.989 -21.574 -8.275 1.00 0.00 O ATOM 1234 ND2 ASN A 85 21.637 -20.481 -9.272 1.00 0.00 N ATOM 0 H ASN A 85 16.878 -19.216 -11.167 1.00 0.00 H new ATOM 0 HA ASN A 85 17.784 -21.469 -9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 85 19.567 -20.996 -11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 85 19.659 -19.356 -10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.305 -20.801 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.947 -19.878 -10.034 1.00 0.00 H new ATOM 1241 N LEU A 86 16.296 -19.292 -8.512 1.00 0.00 N ATOM 1242 CA LEU A 86 15.685 -18.303 -7.631 1.00 0.00 C ATOM 1243 C LEU A 86 14.618 -19.033 -6.792 1.00 0.00 C ATOM 1244 O LEU A 86 13.926 -19.901 -7.336 1.00 0.00 O ATOM 1245 CB LEU A 86 15.135 -17.157 -8.510 1.00 0.00 C ATOM 1246 CG LEU A 86 14.026 -16.290 -7.878 1.00 0.00 C ATOM 1247 CD1 LEU A 86 14.107 -14.829 -8.337 1.00 0.00 C ATOM 1248 CD2 LEU A 86 12.646 -16.825 -8.285 1.00 0.00 C ATOM 0 H LEU A 86 15.595 -19.875 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 86 16.385 -17.846 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 86 15.965 -16.506 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 86 14.749 -17.588 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 86 14.167 -16.337 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.308 -14.255 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.071 -14.410 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.000 -14.782 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.869 -16.207 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.550 -16.795 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.538 -17.853 -7.939 1.00 0.00 H new ATOM 1260 N PRO A 87 14.472 -18.749 -5.481 1.00 0.00 N ATOM 1261 CA PRO A 87 13.527 -19.484 -4.644 1.00 0.00 C ATOM 1262 C PRO A 87 12.069 -19.242 -5.073 1.00 0.00 C ATOM 1263 O PRO A 87 11.697 -18.095 -5.325 1.00 0.00 O ATOM 1264 CB PRO A 87 13.793 -19.049 -3.196 1.00 0.00 C ATOM 1265 CG PRO A 87 15.226 -18.523 -3.241 1.00 0.00 C ATOM 1266 CD PRO A 87 15.344 -17.930 -4.644 1.00 0.00 C ATOM 0 HA PRO A 87 13.672 -20.559 -4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.092 -18.279 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.693 -19.883 -2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.402 -17.771 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.952 -19.320 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.034 -16.885 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.374 -17.962 -4.999 1.00 0.00 H new ATOM 1274 N PRO A 88 11.205 -20.273 -5.116 1.00 0.00 N ATOM 1275 CA PRO A 88 9.849 -20.142 -5.641 1.00 0.00 C ATOM 1276 C PRO A 88 8.940 -19.291 -4.768 1.00 0.00 C ATOM 1277 O PRO A 88 7.945 -18.796 -5.281 1.00 0.00 O ATOM 1278 CB PRO A 88 9.332 -21.575 -5.804 1.00 0.00 C ATOM 1279 CG PRO A 88 10.111 -22.349 -4.742 1.00 0.00 C ATOM 1280 CD PRO A 88 11.472 -21.657 -4.752 1.00 0.00 C ATOM 0 HA PRO A 88 9.856 -19.608 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.256 -21.636 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.524 -21.961 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.633 -22.288 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.193 -23.407 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.951 -21.720 -3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.146 -22.128 -5.468 1.00 0.00 H new ATOM 1288 N GLU A 89 9.288 -19.004 -3.512 1.00 0.00 N ATOM 1289 CA GLU A 89 8.531 -18.024 -2.739 1.00 0.00 C ATOM 1290 C GLU A 89 8.532 -16.636 -3.409 1.00 0.00 C ATOM 1291 O GLU A 89 7.705 -15.805 -3.047 1.00 0.00 O ATOM 1292 CB GLU A 89 9.037 -17.970 -1.288 1.00 0.00 C ATOM 1293 CG GLU A 89 10.487 -17.487 -1.150 1.00 0.00 C ATOM 1294 CD GLU A 89 10.891 -17.389 0.334 1.00 0.00 C ATOM 1295 OE1 GLU A 89 10.634 -16.342 0.977 1.00 0.00 O ATOM 1296 OE2 GLU A 89 11.470 -18.367 0.869 1.00 0.00 O ATOM 0 H GLU A 89 10.074 -19.428 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 89 7.491 -18.348 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.389 -17.310 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.952 -18.963 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.155 -18.174 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.598 -16.513 -1.627 1.00 0.00 H new ATOM 1303 N TRP A 90 9.413 -16.388 -4.386 1.00 0.00 N ATOM 1304 CA TRP A 90 9.462 -15.171 -5.183 1.00 0.00 C ATOM 1305 C TRP A 90 8.737 -15.291 -6.533 1.00 0.00 C ATOM 1306 O TRP A 90 8.555 -14.271 -7.203 1.00 0.00 O ATOM 1307 CB TRP A 90 10.926 -14.819 -5.424 1.00 0.00 C ATOM 1308 CG TRP A 90 11.701 -14.412 -4.211 1.00 0.00 C ATOM 1309 CD1 TRP A 90 12.576 -15.185 -3.532 1.00 0.00 C ATOM 1310 CD2 TRP A 90 11.667 -13.141 -3.498 1.00 0.00 C ATOM 1311 NE1 TRP A 90 13.058 -14.497 -2.434 1.00 0.00 N ATOM 1312 CE2 TRP A 90 12.522 -13.226 -2.361 1.00 0.00 C ATOM 1313 CE3 TRP A 90 10.975 -11.930 -3.695 1.00 0.00 C ATOM 1314 CZ2 TRP A 90 12.662 -12.163 -1.456 1.00 0.00 C ATOM 1315 CZ3 TRP A 90 11.109 -10.855 -2.802 1.00 0.00 C ATOM 1316 CH2 TRP A 90 11.955 -10.969 -1.685 1.00 0.00 C ATOM 0 H TRP A 90 10.135 -17.059 -4.647 1.00 0.00 H new ATOM 0 HA TRP A 90 8.943 -14.391 -4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.419 -15.680 -5.876 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.971 -14.008 -6.151 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.857 -16.191 -3.806 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.725 -14.879 -1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.327 -11.826 -4.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.305 -12.261 -0.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.562 -9.940 -2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.062 -10.139 -1.002 1.00 0.00 H new ATOM 1327 N VAL A 91 8.337 -16.488 -6.980 1.00 0.00 N ATOM 1328 CA VAL A 91 7.552 -16.647 -8.191 1.00 0.00 C ATOM 1329 C VAL A 91 6.054 -16.652 -7.890 1.00 0.00 C ATOM 1330 O VAL A 91 5.250 -16.797 -8.813 1.00 0.00 O ATOM 1331 CB VAL A 91 8.026 -17.832 -9.052 1.00 0.00 C ATOM 1332 CG1 VAL A 91 9.548 -17.849 -9.240 1.00 0.00 C ATOM 1333 CG2 VAL A 91 7.546 -19.223 -8.621 1.00 0.00 C ATOM 0 H VAL A 91 8.552 -17.366 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 91 7.726 -15.770 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 91 7.533 -17.635 -10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.829 -18.704 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.864 -16.929 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.034 -17.926 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.945 -19.973 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.895 -19.431 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.457 -19.255 -8.643 1.00 0.00 H new ATOM 1343 N THR A 92 5.663 -16.502 -6.622 1.00 0.00 N ATOM 1344 CA THR A 92 4.280 -16.717 -6.204 1.00 0.00 C ATOM 1345 C THR A 92 3.537 -15.509 -5.616 1.00 0.00 C ATOM 1346 O THR A 92 2.479 -15.684 -5.000 1.00 0.00 O ATOM 1347 CB THR A 92 4.284 -17.913 -5.236 1.00 0.00 C ATOM 1348 OG1 THR A 92 5.161 -17.648 -4.149 1.00 0.00 O ATOM 1349 CG2 THR A 92 4.778 -19.185 -5.921 1.00 0.00 C ATOM 0 H THR A 92 6.291 -16.231 -5.865 1.00 0.00 H new ATOM 0 HA THR A 92 3.701 -16.912 -7.107 1.00 0.00 H new ATOM 0 HB THR A 92 3.259 -18.056 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.069 -17.930 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.768 -20.010 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.125 -19.423 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.794 -19.032 -6.284 1.00 0.00 H new ATOM 1357 N GLN A 93 4.045 -14.287 -5.801 1.00 0.00 N ATOM 1358 CA GLN A 93 3.354 -13.089 -5.341 1.00 0.00 C ATOM 1359 C GLN A 93 2.042 -12.875 -6.119 1.00 0.00 C ATOM 1360 O GLN A 93 1.750 -13.605 -7.072 1.00 0.00 O ATOM 1361 CB GLN A 93 4.300 -11.870 -5.394 1.00 0.00 C ATOM 1362 CG GLN A 93 5.154 -11.772 -4.121 1.00 0.00 C ATOM 1363 CD GLN A 93 6.132 -12.936 -3.972 1.00 0.00 C ATOM 1364 OE1 GLN A 93 6.660 -13.455 -4.950 1.00 0.00 O ATOM 1365 NE2 GLN A 93 6.380 -13.391 -2.759 1.00 0.00 N ATOM 0 H GLN A 93 4.934 -14.106 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 93 3.067 -13.219 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.950 -11.949 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.715 -10.958 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.711 -10.835 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.498 -11.741 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.937 -12.955 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.014 -14.179 -2.630 1.00 0.00 H new ATOM 1374 N GLU A 94 1.240 -11.877 -5.712 1.00 0.00 N ATOM 1375 CA GLU A 94 -0.112 -11.649 -6.243 1.00 0.00 C ATOM 1376 C GLU A 94 -0.089 -11.473 -7.770 1.00 0.00 C ATOM 1377 O GLU A 94 -1.068 -11.791 -8.451 1.00 0.00 O ATOM 1378 CB GLU A 94 -0.759 -10.424 -5.572 1.00 0.00 C ATOM 1379 CG GLU A 94 -1.036 -10.611 -4.072 1.00 0.00 C ATOM 1380 CD GLU A 94 -2.033 -11.751 -3.790 1.00 0.00 C ATOM 1381 OE1 GLU A 94 -3.260 -11.554 -3.968 1.00 0.00 O ATOM 1382 OE2 GLU A 94 -1.601 -12.854 -3.375 1.00 0.00 O ATOM 0 H GLU A 94 1.515 -11.201 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.712 -12.530 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.107 -9.561 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.697 -10.197 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.098 -10.818 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.428 -9.681 -3.660 1.00 0.00 H new ATOM 1389 N ILE A 95 1.039 -10.999 -8.303 1.00 0.00 N ATOM 1390 CA ILE A 95 1.357 -10.982 -9.716 1.00 0.00 C ATOM 1391 C ILE A 95 2.791 -11.504 -9.804 1.00 0.00 C ATOM 1392 O ILE A 95 3.672 -11.055 -9.060 1.00 0.00 O ATOM 1393 CB ILE A 95 1.140 -9.590 -10.352 1.00 0.00 C ATOM 1394 CG1 ILE A 95 1.705 -9.545 -11.791 1.00 0.00 C ATOM 1395 CG2 ILE A 95 1.754 -8.465 -9.501 1.00 0.00 C ATOM 1396 CD1 ILE A 95 1.076 -8.437 -12.649 1.00 0.00 C ATOM 0 H ILE A 95 1.782 -10.601 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 95 0.689 -11.614 -10.301 1.00 0.00 H new ATOM 0 HB ILE A 95 0.064 -9.423 -10.393 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.784 -9.395 -11.747 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.537 -10.509 -12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.578 -7.505 -9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.293 -8.463 -8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.827 -8.629 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.514 -8.457 -13.647 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.001 -8.599 -12.721 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.267 -7.468 -12.189 1.00 0.00 H new ATOM 1408 N PHE A 96 3.008 -12.463 -10.703 1.00 0.00 N ATOM 1409 CA PHE A 96 4.324 -12.934 -11.086 1.00 0.00 C ATOM 1410 C PHE A 96 4.482 -12.633 -12.581 1.00 0.00 C ATOM 1411 O PHE A 96 3.539 -12.884 -13.342 1.00 0.00 O ATOM 1412 CB PHE A 96 4.498 -14.420 -10.793 1.00 0.00 C ATOM 1413 CG PHE A 96 5.855 -14.917 -11.242 1.00 0.00 C ATOM 1414 CD1 PHE A 96 7.016 -14.303 -10.732 1.00 0.00 C ATOM 1415 CD2 PHE A 96 5.968 -15.940 -12.203 1.00 0.00 C ATOM 1416 CE1 PHE A 96 8.280 -14.719 -11.173 1.00 0.00 C ATOM 1417 CE2 PHE A 96 7.238 -16.360 -12.638 1.00 0.00 C ATOM 1418 CZ PHE A 96 8.392 -15.751 -12.119 1.00 0.00 C ATOM 0 H PHE A 96 2.251 -12.941 -11.193 1.00 0.00 H new ATOM 0 HA PHE A 96 5.096 -12.427 -10.507 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.379 -14.598 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.716 -14.986 -11.299 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.932 -13.512 -10.001 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.079 -16.402 -12.606 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.169 -14.245 -10.785 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.325 -17.149 -13.370 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.368 -16.077 -12.448 1.00 0.00 H new ATOM 1428 N GLU A 97 5.633 -12.113 -13.017 1.00 0.00 N ATOM 1429 CA GLU A 97 5.929 -11.889 -14.435 1.00 0.00 C ATOM 1430 C GLU A 97 7.397 -12.205 -14.722 1.00 0.00 C ATOM 1431 O GLU A 97 8.221 -12.358 -13.817 1.00 0.00 O ATOM 1432 CB GLU A 97 5.610 -10.454 -14.890 1.00 0.00 C ATOM 1433 CG GLU A 97 4.156 -9.969 -14.775 1.00 0.00 C ATOM 1434 CD GLU A 97 3.236 -10.451 -15.916 1.00 0.00 C ATOM 1435 OE1 GLU A 97 3.510 -11.490 -16.565 1.00 0.00 O ATOM 1436 OE2 GLU A 97 2.222 -9.759 -16.188 1.00 0.00 O ATOM 0 H GLU A 97 6.390 -11.834 -12.393 1.00 0.00 H new ATOM 0 HA GLU A 97 5.284 -12.560 -15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.236 -9.773 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.913 -10.359 -15.933 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.746 -10.309 -13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.149 -8.879 -14.754 1.00 0.00 H new ATOM 1443 N ASP A 98 7.680 -12.318 -16.015 1.00 0.00 N ATOM 1444 CA ASP A 98 8.910 -12.744 -16.663 1.00 0.00 C ATOM 1445 C ASP A 98 8.755 -12.392 -18.137 1.00 0.00 C ATOM 1446 O ASP A 98 7.688 -12.634 -18.718 1.00 0.00 O ATOM 1447 CB ASP A 98 9.142 -14.257 -16.520 1.00 0.00 C ATOM 1448 CG ASP A 98 10.180 -14.799 -17.532 1.00 0.00 C ATOM 1449 OD1 ASP A 98 11.253 -14.186 -17.749 1.00 0.00 O ATOM 1450 OD2 ASP A 98 9.900 -15.865 -18.136 1.00 0.00 O ATOM 0 H ASP A 98 6.971 -12.086 -16.711 1.00 0.00 H new ATOM 0 HA ASP A 98 9.766 -12.250 -16.202 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.480 -14.475 -15.507 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.196 -14.781 -16.660 1.00 0.00 H new ATOM 1455 N TRP A 99 9.785 -11.795 -18.729 1.00 0.00 N ATOM 1456 CA TRP A 99 9.734 -11.230 -20.074 1.00 0.00 C ATOM 1457 C TRP A 99 11.079 -11.428 -20.767 1.00 0.00 C ATOM 1458 O TRP A 99 12.118 -11.367 -20.113 1.00 0.00 O ATOM 1459 CB TRP A 99 9.402 -9.730 -19.995 1.00 0.00 C ATOM 1460 CG TRP A 99 8.069 -9.361 -19.407 1.00 0.00 C ATOM 1461 CD1 TRP A 99 6.856 -9.797 -19.818 1.00 0.00 C ATOM 1462 CD2 TRP A 99 7.797 -8.490 -18.275 1.00 0.00 C ATOM 1463 NE1 TRP A 99 5.867 -9.271 -19.005 1.00 0.00 N ATOM 1464 CE2 TRP A 99 6.390 -8.426 -18.060 1.00 0.00 C ATOM 1465 CE3 TRP A 99 8.608 -7.747 -17.401 1.00 0.00 C ATOM 1466 CZ2 TRP A 99 5.811 -7.650 -17.048 1.00 0.00 C ATOM 1467 CZ3 TRP A 99 8.040 -7.013 -16.350 1.00 0.00 C ATOM 1468 CH2 TRP A 99 6.650 -6.948 -16.177 1.00 0.00 C ATOM 0 H TRP A 99 10.695 -11.688 -18.280 1.00 0.00 H new ATOM 0 HA TRP A 99 8.959 -11.737 -20.648 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.179 -9.240 -19.408 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.455 -9.317 -21.002 1.00 0.00 H new ATOM 0 HD1 TRP A 99 6.685 -10.457 -20.656 1.00 0.00 H new ATOM 0 HE1 TRP A 99 4.874 -9.485 -19.097 1.00 0.00 H new ATOM 0 HE3 TRP A 99 9.679 -7.741 -17.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.738 -7.595 -16.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 8.685 -6.488 -15.661 1.00 0.00 H new ATOM 0 HH2 TRP A 99 6.230 -6.359 -15.375 1.00 0.00 H new ATOM 1479 N GLN A 100 11.079 -11.580 -22.096 1.00 0.00 N ATOM 1480 CA GLN A 100 12.298 -11.733 -22.890 1.00 0.00 C ATOM 1481 C GLN A 100 12.904 -10.348 -23.177 1.00 0.00 C ATOM 1482 O GLN A 100 13.054 -9.930 -24.327 1.00 0.00 O ATOM 1483 CB GLN A 100 12.012 -12.603 -24.130 1.00 0.00 C ATOM 1484 CG GLN A 100 13.274 -13.092 -24.864 1.00 0.00 C ATOM 1485 CD GLN A 100 14.175 -13.969 -23.990 1.00 0.00 C ATOM 1486 OE1 GLN A 100 15.164 -13.499 -23.425 1.00 0.00 O ATOM 1487 NE2 GLN A 100 13.855 -15.246 -23.832 1.00 0.00 N ATOM 0 H GLN A 100 10.225 -11.600 -22.653 1.00 0.00 H new ATOM 0 HA GLN A 100 13.067 -12.275 -22.339 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.425 -13.469 -23.824 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.399 -12.032 -24.827 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.977 -13.655 -25.749 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.843 -12.229 -25.211 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.035 -15.628 -24.303 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.429 -15.846 -23.240 1.00 0.00 H new ATOM 1496 N LEU A 101 13.198 -9.604 -22.107 1.00 0.00 N ATOM 1497 CA LEU A 101 13.971 -8.369 -22.164 1.00 0.00 C ATOM 1498 C LEU A 101 15.441 -8.780 -22.264 1.00 0.00 C ATOM 1499 O LEU A 101 15.808 -9.843 -21.763 1.00 0.00 O ATOM 1500 CB LEU A 101 13.666 -7.514 -20.912 1.00 0.00 C ATOM 1501 CG LEU A 101 12.268 -6.868 -20.937 1.00 0.00 C ATOM 1502 CD1 LEU A 101 11.917 -6.334 -19.544 1.00 0.00 C ATOM 1503 CD2 LEU A 101 12.132 -5.830 -22.060 1.00 0.00 C ATOM 0 H LEU A 101 12.899 -9.850 -21.164 1.00 0.00 H new ATOM 0 HA LEU A 101 13.714 -7.751 -23.024 1.00 0.00 H new ATOM 0 HB2 LEU A 101 13.753 -8.140 -20.024 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.419 -6.730 -20.824 1.00 0.00 H new ATOM 0 HG LEU A 101 11.526 -7.629 -21.180 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.927 -5.878 -19.568 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.921 -7.156 -18.828 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.653 -5.588 -19.244 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.130 -5.401 -22.039 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.869 -5.040 -21.916 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.300 -6.312 -23.023 1.00 0.00 H new ATOM 1515 N GLU A 102 16.296 -7.952 -22.864 1.00 0.00 N ATOM 1516 CA GLU A 102 17.725 -8.191 -23.010 1.00 0.00 C ATOM 1517 C GLU A 102 18.524 -7.093 -22.309 1.00 0.00 C ATOM 1518 O GLU A 102 17.966 -6.050 -21.977 1.00 0.00 O ATOM 1519 CB GLU A 102 18.093 -8.441 -24.479 1.00 0.00 C ATOM 1520 CG GLU A 102 18.382 -7.191 -25.302 1.00 0.00 C ATOM 1521 CD GLU A 102 18.833 -7.576 -26.721 1.00 0.00 C ATOM 1522 OE1 GLU A 102 19.998 -8.017 -26.889 1.00 0.00 O ATOM 1523 OE2 GLU A 102 18.024 -7.449 -27.674 1.00 0.00 O ATOM 0 H GLU A 102 15.999 -7.067 -23.275 1.00 0.00 H new ATOM 0 HA GLU A 102 18.005 -9.113 -22.500 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.970 -9.088 -24.511 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.277 -8.987 -24.953 1.00 0.00 H new ATOM 0 HG2 GLU A 102 17.489 -6.568 -25.354 1.00 0.00 H new ATOM 0 HG3 GLU A 102 19.157 -6.599 -24.815 1.00 0.00 H new ATOM 1530 N ASP A 103 19.818 -7.313 -22.072 1.00 0.00 N ATOM 1531 CA ASP A 103 20.734 -6.295 -21.581 1.00 0.00 C ATOM 1532 C ASP A 103 21.500 -5.698 -22.775 1.00 0.00 C ATOM 1533 O ASP A 103 22.161 -6.446 -23.503 1.00 0.00 O ATOM 1534 CB ASP A 103 21.653 -6.877 -20.495 1.00 0.00 C ATOM 1535 CG ASP A 103 22.658 -5.883 -19.912 1.00 0.00 C ATOM 1536 OD1 ASP A 103 22.716 -4.734 -20.382 1.00 0.00 O ATOM 1537 OD2 ASP A 103 23.325 -6.224 -18.913 1.00 0.00 O ATOM 0 H ASP A 103 20.261 -8.220 -22.220 1.00 0.00 H new ATOM 0 HA ASP A 103 20.186 -5.483 -21.103 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.036 -7.266 -19.685 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.199 -7.722 -20.914 1.00 0.00 H new ATOM 1542 N PRO A 104 21.415 -4.376 -23.017 1.00 0.00 N ATOM 1543 CA PRO A 104 22.162 -3.693 -24.071 1.00 0.00 C ATOM 1544 C PRO A 104 23.678 -3.592 -23.794 1.00 0.00 C ATOM 1545 O PRO A 104 24.412 -3.111 -24.659 1.00 0.00 O ATOM 1546 CB PRO A 104 21.513 -2.318 -24.146 1.00 0.00 C ATOM 1547 CG PRO A 104 21.094 -2.045 -22.704 1.00 0.00 C ATOM 1548 CD PRO A 104 20.603 -3.417 -22.275 1.00 0.00 C ATOM 0 HA PRO A 104 22.113 -4.245 -25.009 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.210 -1.564 -24.511 1.00 0.00 H new ATOM 0 HB3 PRO A 104 20.657 -2.314 -24.821 1.00 0.00 H new ATOM 0 HG2 PRO A 104 21.926 -1.696 -22.093 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.312 -1.289 -22.639 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.718 -3.556 -21.200 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.544 -3.542 -22.501 1.00 0.00 H new ATOM 1556 N ASP A 105 24.148 -4.024 -22.617 1.00 0.00 N ATOM 1557 CA ASP A 105 25.539 -3.997 -22.182 1.00 0.00 C ATOM 1558 C ASP A 105 26.484 -4.448 -23.303 1.00 0.00 C ATOM 1559 O ASP A 105 26.357 -5.568 -23.814 1.00 0.00 O ATOM 1560 CB ASP A 105 25.768 -4.935 -20.998 1.00 0.00 C ATOM 1561 CG ASP A 105 27.277 -5.155 -20.763 1.00 0.00 C ATOM 1562 OD1 ASP A 105 28.027 -4.157 -20.630 1.00 0.00 O ATOM 1563 OD2 ASP A 105 27.728 -6.329 -20.749 1.00 0.00 O ATOM 0 H ASP A 105 23.531 -4.422 -21.909 1.00 0.00 H new ATOM 0 HA ASP A 105 25.749 -2.965 -21.899 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.312 -4.515 -20.101 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.280 -5.892 -21.185 1.00 0.00 H new ATOM 1568 N GLY A 106 27.448 -3.595 -23.662 1.00 0.00 N ATOM 1569 CA GLY A 106 28.551 -3.951 -24.550 1.00 0.00 C ATOM 1570 C GLY A 106 28.154 -4.192 -26.011 1.00 0.00 C ATOM 1571 O GLY A 106 29.028 -4.537 -26.812 1.00 0.00 O ATOM 0 H GLY A 106 27.482 -2.628 -23.339 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.295 -3.155 -24.518 1.00 0.00 H new ATOM 0 HA3 GLY A 106 29.031 -4.851 -24.166 1.00 0.00 H new ATOM 1575 N GLN A 107 26.879 -4.010 -26.376 1.00 0.00 N ATOM 1576 CA GLN A 107 26.401 -4.040 -27.758 1.00 0.00 C ATOM 1577 C GLN A 107 25.954 -2.633 -28.183 1.00 0.00 C ATOM 1578 O GLN A 107 26.266 -1.642 -27.514 1.00 0.00 O ATOM 1579 CB GLN A 107 25.386 -5.178 -27.976 1.00 0.00 C ATOM 1580 CG GLN A 107 24.152 -5.116 -27.080 1.00 0.00 C ATOM 1581 CD GLN A 107 23.179 -6.271 -27.353 1.00 0.00 C ATOM 1582 OE1 GLN A 107 23.038 -6.744 -28.479 1.00 0.00 O ATOM 1583 NE2 GLN A 107 22.464 -6.750 -26.348 1.00 0.00 N ATOM 0 H GLN A 107 26.136 -3.834 -25.700 1.00 0.00 H new ATOM 0 HA GLN A 107 27.210 -4.297 -28.442 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.063 -5.163 -29.017 1.00 0.00 H new ATOM 0 HB3 GLN A 107 25.889 -6.131 -27.812 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.462 -5.143 -26.035 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.639 -4.167 -27.236 1.00 0.00 H new ATOM 0 HE21 GLN A 107 22.576 -6.362 -25.412 1.00 0.00 H new ATOM 0 HE22 GLN A 107 21.800 -7.508 -26.510 1.00 0.00 H new ATOM 1592 N SER A 108 25.250 -2.535 -29.312 1.00 0.00 N ATOM 1593 CA SER A 108 24.973 -1.268 -29.967 1.00 0.00 C ATOM 1594 C SER A 108 24.022 -0.327 -29.219 1.00 0.00 C ATOM 1595 O SER A 108 23.124 -0.760 -28.494 1.00 0.00 O ATOM 1596 CB SER A 108 24.509 -1.537 -31.412 1.00 0.00 C ATOM 1597 OG SER A 108 25.278 -2.577 -32.013 1.00 0.00 O ATOM 0 H SER A 108 24.856 -3.342 -29.796 1.00 0.00 H new ATOM 0 HA SER A 108 25.911 -0.713 -29.969 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.455 -1.813 -31.413 1.00 0.00 H new ATOM 0 HB3 SER A 108 24.600 -0.625 -32.002 1.00 0.00 H new ATOM 0 HG SER A 108 24.963 -2.730 -32.928 1.00 0.00 H new ATOM 1603 N LEU A 109 24.166 0.976 -29.494 1.00 0.00 N ATOM 1604 CA LEU A 109 23.307 2.064 -29.019 1.00 0.00 C ATOM 1605 C LEU A 109 21.846 1.833 -29.387 1.00 0.00 C ATOM 1606 O LEU A 109 20.954 2.151 -28.608 1.00 0.00 O ATOM 1607 CB LEU A 109 23.846 3.364 -29.647 1.00 0.00 C ATOM 1608 CG LEU A 109 23.192 4.656 -29.129 1.00 0.00 C ATOM 1609 CD1 LEU A 109 23.423 4.832 -27.628 1.00 0.00 C ATOM 1610 CD2 LEU A 109 23.796 5.847 -29.876 1.00 0.00 C ATOM 0 H LEU A 109 24.925 1.315 -30.085 1.00 0.00 H new ATOM 0 HA LEU A 109 23.332 2.120 -27.931 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.919 3.420 -29.465 1.00 0.00 H new ATOM 0 HB3 LEU A 109 23.708 3.312 -30.727 1.00 0.00 H new ATOM 0 HG LEU A 109 22.118 4.597 -29.302 1.00 0.00 H new ATOM 0 HD11 LEU A 109 22.949 5.754 -27.293 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.992 3.986 -27.092 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.493 4.881 -27.428 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.340 6.770 -29.518 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.871 5.880 -29.699 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.607 5.740 -30.944 1.00 0.00 H new ATOM 1622 N GLU A 110 21.604 1.207 -30.538 1.00 0.00 N ATOM 1623 CA GLU A 110 20.268 0.813 -30.977 1.00 0.00 C ATOM 1624 C GLU A 110 19.616 -0.116 -29.947 1.00 0.00 C ATOM 1625 O GLU A 110 18.414 -0.027 -29.715 1.00 0.00 O ATOM 1626 CB GLU A 110 20.384 0.164 -32.366 1.00 0.00 C ATOM 1627 CG GLU A 110 19.022 -0.223 -32.960 1.00 0.00 C ATOM 1628 CD GLU A 110 19.158 -0.718 -34.411 1.00 0.00 C ATOM 1629 OE1 GLU A 110 19.386 -1.934 -34.625 1.00 0.00 O ATOM 1630 OE2 GLU A 110 19.023 0.103 -35.352 1.00 0.00 O ATOM 0 H GLU A 110 22.340 0.957 -31.199 1.00 0.00 H new ATOM 0 HA GLU A 110 19.619 1.685 -31.057 1.00 0.00 H new ATOM 0 HB2 GLU A 110 20.887 0.854 -33.043 1.00 0.00 H new ATOM 0 HB3 GLU A 110 21.010 -0.726 -32.295 1.00 0.00 H new ATOM 0 HG2 GLU A 110 18.566 -1.003 -32.350 1.00 0.00 H new ATOM 0 HG3 GLU A 110 18.353 0.637 -32.929 1.00 0.00 H new ATOM 1637 N VAL A 111 20.392 -0.971 -29.281 1.00 0.00 N ATOM 1638 CA VAL A 111 19.882 -1.914 -28.299 1.00 0.00 C ATOM 1639 C VAL A 111 19.570 -1.188 -26.992 1.00 0.00 C ATOM 1640 O VAL A 111 18.518 -1.445 -26.423 1.00 0.00 O ATOM 1641 CB VAL A 111 20.815 -3.129 -28.108 1.00 0.00 C ATOM 1642 CG1 VAL A 111 20.029 -4.278 -27.459 1.00 0.00 C ATOM 1643 CG2 VAL A 111 21.422 -3.632 -29.429 1.00 0.00 C ATOM 0 H VAL A 111 21.402 -1.025 -29.413 1.00 0.00 H new ATOM 0 HA VAL A 111 18.949 -2.333 -28.677 1.00 0.00 H new ATOM 0 HB VAL A 111 21.636 -2.801 -27.471 1.00 0.00 H new ATOM 0 HG11 VAL A 111 20.686 -5.137 -27.323 1.00 0.00 H new ATOM 0 HG12 VAL A 111 19.648 -3.956 -26.490 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.195 -4.557 -28.103 1.00 0.00 H new ATOM 0 HG21 VAL A 111 22.068 -4.487 -29.230 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.622 -3.932 -30.106 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.006 -2.834 -29.888 1.00 0.00 H new ATOM 1653 N PHE A 112 20.400 -0.236 -26.535 1.00 0.00 N ATOM 1654 CA PHE A 112 20.059 0.620 -25.388 1.00 0.00 C ATOM 1655 C PHE A 112 18.737 1.340 -25.662 1.00 0.00 C ATOM 1656 O PHE A 112 17.826 1.295 -24.839 1.00 0.00 O ATOM 1657 CB PHE A 112 21.183 1.637 -25.117 1.00 0.00 C ATOM 1658 CG PHE A 112 22.419 1.066 -24.442 1.00 0.00 C ATOM 1659 CD1 PHE A 112 22.460 0.935 -23.040 1.00 0.00 C ATOM 1660 CD2 PHE A 112 23.519 0.635 -25.208 1.00 0.00 C ATOM 1661 CE1 PHE A 112 23.572 0.337 -22.417 1.00 0.00 C ATOM 1662 CE2 PHE A 112 24.632 0.050 -24.583 1.00 0.00 C ATOM 1663 CZ PHE A 112 24.654 -0.119 -23.188 1.00 0.00 C ATOM 0 H PHE A 112 21.314 -0.040 -26.944 1.00 0.00 H new ATOM 0 HA PHE A 112 19.948 -0.003 -24.500 1.00 0.00 H new ATOM 0 HB2 PHE A 112 21.480 2.088 -26.064 1.00 0.00 H new ATOM 0 HB3 PHE A 112 20.785 2.438 -24.494 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.636 1.294 -22.441 1.00 0.00 H new ATOM 0 HD2 PHE A 112 23.507 0.755 -26.281 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.593 0.229 -21.343 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.475 -0.271 -25.177 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.498 -0.596 -22.712 1.00 0.00 H new ATOM 1673 N ARG A 113 18.588 1.929 -26.851 1.00 0.00 N ATOM 1674 CA ARG A 113 17.367 2.640 -27.242 1.00 0.00 C ATOM 1675 C ARG A 113 16.168 1.687 -27.287 1.00 0.00 C ATOM 1676 O ARG A 113 15.106 2.013 -26.756 1.00 0.00 O ATOM 1677 CB ARG A 113 17.607 3.330 -28.598 1.00 0.00 C ATOM 1678 CG ARG A 113 18.561 4.533 -28.469 1.00 0.00 C ATOM 1679 CD ARG A 113 19.126 4.950 -29.832 1.00 0.00 C ATOM 1680 NE ARG A 113 19.820 6.252 -29.760 1.00 0.00 N ATOM 1681 CZ ARG A 113 20.300 6.946 -30.804 1.00 0.00 C ATOM 1682 NH1 ARG A 113 20.246 6.449 -32.039 1.00 0.00 N ATOM 1683 NH2 ARG A 113 20.840 8.145 -30.606 1.00 0.00 N ATOM 0 H ARG A 113 19.311 1.927 -27.571 1.00 0.00 H new ATOM 0 HA ARG A 113 17.129 3.401 -26.499 1.00 0.00 H new ATOM 0 HB2 ARG A 113 18.023 2.610 -29.303 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.654 3.664 -29.009 1.00 0.00 H new ATOM 0 HG2 ARG A 113 18.030 5.373 -28.021 1.00 0.00 H new ATOM 0 HG3 ARG A 113 19.380 4.279 -27.797 1.00 0.00 H new ATOM 0 HD2 ARG A 113 19.819 4.187 -30.188 1.00 0.00 H new ATOM 0 HD3 ARG A 113 18.316 5.009 -30.559 1.00 0.00 H new ATOM 0 HE ARG A 113 19.946 6.660 -28.834 1.00 0.00 H new ATOM 0 HH11 ARG A 113 19.836 5.529 -32.201 1.00 0.00 H new ATOM 0 HH12 ARG A 113 20.615 6.988 -32.822 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.888 8.533 -29.664 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.206 8.676 -31.396 1.00 0.00 H new ATOM 1697 N THR A 114 16.341 0.487 -27.844 1.00 0.00 N ATOM 1698 CA THR A 114 15.306 -0.522 -27.946 1.00 0.00 C ATOM 1699 C THR A 114 14.889 -0.982 -26.554 1.00 0.00 C ATOM 1700 O THR A 114 13.699 -0.992 -26.250 1.00 0.00 O ATOM 1701 CB THR A 114 15.889 -1.664 -28.798 1.00 0.00 C ATOM 1702 OG1 THR A 114 15.940 -1.285 -30.161 1.00 0.00 O ATOM 1703 CG2 THR A 114 15.125 -2.974 -28.662 1.00 0.00 C ATOM 0 H THR A 114 17.231 0.190 -28.245 1.00 0.00 H new ATOM 0 HA THR A 114 14.402 -0.139 -28.420 1.00 0.00 H new ATOM 0 HB THR A 114 16.895 -1.842 -28.417 1.00 0.00 H new ATOM 0 HG1 THR A 114 16.764 -0.782 -30.330 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.591 -3.734 -29.290 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.144 -3.300 -27.622 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.092 -2.827 -28.977 1.00 0.00 H new ATOM 1711 N VAL A 115 15.836 -1.344 -25.686 1.00 0.00 N ATOM 1712 CA VAL A 115 15.523 -1.923 -24.390 1.00 0.00 C ATOM 1713 C VAL A 115 14.878 -0.859 -23.513 1.00 0.00 C ATOM 1714 O VAL A 115 13.901 -1.159 -22.843 1.00 0.00 O ATOM 1715 CB VAL A 115 16.771 -2.616 -23.792 1.00 0.00 C ATOM 1716 CG1 VAL A 115 16.537 -3.088 -22.352 1.00 0.00 C ATOM 1717 CG2 VAL A 115 17.119 -3.857 -24.635 1.00 0.00 C ATOM 0 H VAL A 115 16.835 -1.242 -25.866 1.00 0.00 H new ATOM 0 HA VAL A 115 14.787 -2.722 -24.477 1.00 0.00 H new ATOM 0 HB VAL A 115 17.578 -1.883 -23.798 1.00 0.00 H new ATOM 0 HG11 VAL A 115 17.440 -3.568 -21.975 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.292 -2.232 -21.724 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.712 -3.800 -22.332 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.998 -4.347 -24.216 1.00 0.00 H new ATOM 0 HG22 VAL A 115 16.278 -4.550 -24.626 1.00 0.00 H new ATOM 0 HG23 VAL A 115 17.328 -3.553 -25.661 1.00 0.00 H new ATOM 1727 N ARG A 116 15.317 0.396 -23.588 1.00 0.00 N ATOM 1728 CA ARG A 116 14.666 1.481 -22.859 1.00 0.00 C ATOM 1729 C ARG A 116 13.187 1.586 -23.266 1.00 0.00 C ATOM 1730 O ARG A 116 12.327 1.623 -22.391 1.00 0.00 O ATOM 1731 CB ARG A 116 15.507 2.757 -23.063 1.00 0.00 C ATOM 1732 CG ARG A 116 14.971 3.970 -22.297 1.00 0.00 C ATOM 1733 CD ARG A 116 16.056 5.021 -22.020 1.00 0.00 C ATOM 1734 NE ARG A 116 16.793 5.474 -23.221 1.00 0.00 N ATOM 1735 CZ ARG A 116 16.395 6.369 -24.140 1.00 0.00 C ATOM 1736 NH1 ARG A 116 15.164 6.873 -24.128 1.00 0.00 N ATOM 1737 NH2 ARG A 116 17.245 6.759 -25.085 1.00 0.00 N ATOM 0 H ARG A 116 16.120 0.686 -24.146 1.00 0.00 H new ATOM 0 HA ARG A 116 14.631 1.298 -21.785 1.00 0.00 H new ATOM 0 HB2 ARG A 116 16.532 2.562 -22.747 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.541 2.994 -24.126 1.00 0.00 H new ATOM 0 HG2 ARG A 116 14.164 4.428 -22.869 1.00 0.00 H new ATOM 0 HG3 ARG A 116 14.543 3.638 -21.351 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.593 5.886 -21.546 1.00 0.00 H new ATOM 0 HD3 ARG A 116 16.769 4.609 -21.306 1.00 0.00 H new ATOM 0 HE ARG A 116 17.712 5.057 -23.368 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.500 6.581 -23.411 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.884 7.552 -24.836 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.191 6.379 -25.108 1.00 0.00 H new ATOM 0 HH22 ARG A 116 16.951 7.438 -25.787 1.00 0.00 H new ATOM 1751 N GLY A 117 12.875 1.510 -24.562 1.00 0.00 N ATOM 1752 CA GLY A 117 11.495 1.516 -25.047 1.00 0.00 C ATOM 1753 C GLY A 117 10.715 0.281 -24.588 1.00 0.00 C ATOM 1754 O GLY A 117 9.634 0.406 -24.014 1.00 0.00 O ATOM 0 H GLY A 117 13.572 1.443 -25.303 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.991 2.415 -24.692 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.495 1.560 -26.136 1.00 0.00 H new ATOM 1758 N GLN A 118 11.278 -0.915 -24.790 1.00 0.00 N ATOM 1759 CA GLN A 118 10.644 -2.192 -24.451 1.00 0.00 C ATOM 1760 C GLN A 118 10.304 -2.235 -22.967 1.00 0.00 C ATOM 1761 O GLN A 118 9.176 -2.527 -22.580 1.00 0.00 O ATOM 1762 CB GLN A 118 11.587 -3.363 -24.800 1.00 0.00 C ATOM 1763 CG GLN A 118 11.715 -3.654 -26.306 1.00 0.00 C ATOM 1764 CD GLN A 118 10.491 -4.356 -26.907 1.00 0.00 C ATOM 1765 OE1 GLN A 118 9.536 -4.705 -26.213 1.00 0.00 O ATOM 1766 NE2 GLN A 118 10.483 -4.581 -28.211 1.00 0.00 N ATOM 0 H GLN A 118 12.205 -1.024 -25.202 1.00 0.00 H new ATOM 0 HA GLN A 118 9.725 -2.287 -25.030 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.577 -3.147 -24.399 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.230 -4.262 -24.298 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.880 -2.715 -26.835 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.596 -4.274 -26.473 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.276 -4.291 -28.783 1.00 0.00 H new ATOM 0 HE22 GLN A 118 9.684 -5.045 -28.644 1.00 0.00 H new ATOM 1775 N VAL A 119 11.288 -1.928 -22.130 1.00 0.00 N ATOM 1776 CA VAL A 119 11.170 -2.041 -20.681 1.00 0.00 C ATOM 1777 C VAL A 119 10.171 -1.013 -20.147 1.00 0.00 C ATOM 1778 O VAL A 119 9.376 -1.371 -19.281 1.00 0.00 O ATOM 1779 CB VAL A 119 12.568 -1.937 -20.038 1.00 0.00 C ATOM 1780 CG1 VAL A 119 12.482 -1.960 -18.514 1.00 0.00 C ATOM 1781 CG2 VAL A 119 13.445 -3.129 -20.452 1.00 0.00 C ATOM 0 H VAL A 119 12.199 -1.590 -22.441 1.00 0.00 H new ATOM 0 HA VAL A 119 10.770 -3.018 -20.409 1.00 0.00 H new ATOM 0 HB VAL A 119 12.998 -0.996 -20.380 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.484 -1.885 -18.092 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.880 -1.119 -18.171 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.021 -2.893 -18.190 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.427 -3.037 -19.988 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.975 -4.057 -20.126 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.556 -3.140 -21.536 1.00 0.00 H new ATOM 1791 N LYS A 120 10.135 0.213 -20.687 1.00 0.00 N ATOM 1792 CA LYS A 120 9.133 1.197 -20.275 1.00 0.00 C ATOM 1793 C LYS A 120 7.744 0.601 -20.441 1.00 0.00 C ATOM 1794 O LYS A 120 6.929 0.700 -19.532 1.00 0.00 O ATOM 1795 CB LYS A 120 9.259 2.459 -21.143 1.00 0.00 C ATOM 1796 CG LYS A 120 8.328 3.591 -20.675 1.00 0.00 C ATOM 1797 CD LYS A 120 8.626 4.876 -21.468 1.00 0.00 C ATOM 1798 CE LYS A 120 7.674 6.038 -21.130 1.00 0.00 C ATOM 1799 NZ LYS A 120 6.343 5.909 -21.779 1.00 0.00 N ATOM 0 H LYS A 120 10.783 0.542 -21.403 1.00 0.00 H new ATOM 0 HA LYS A 120 9.294 1.463 -19.230 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.291 2.809 -21.122 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.029 2.208 -22.179 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.287 3.299 -20.816 1.00 0.00 H new ATOM 0 HG3 LYS A 120 8.467 3.771 -19.609 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.652 5.187 -21.269 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.559 4.660 -22.534 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.541 6.088 -20.049 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.133 6.977 -21.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.823 6.805 -21.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.468 5.686 -22.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 5.805 5.146 -21.320 1.00 0.00 H new ATOM 1813 N GLU A 121 7.495 -0.059 -21.569 1.00 0.00 N ATOM 1814 CA GLU A 121 6.191 -0.602 -21.881 1.00 0.00 C ATOM 1815 C GLU A 121 5.836 -1.773 -20.949 1.00 0.00 C ATOM 1816 O GLU A 121 4.726 -1.800 -20.420 1.00 0.00 O ATOM 1817 CB GLU A 121 6.180 -0.964 -23.371 1.00 0.00 C ATOM 1818 CG GLU A 121 4.786 -1.424 -23.806 1.00 0.00 C ATOM 1819 CD GLU A 121 4.739 -1.812 -25.294 1.00 0.00 C ATOM 1820 OE1 GLU A 121 4.641 -0.911 -26.161 1.00 0.00 O ATOM 1821 OE2 GLU A 121 4.783 -3.031 -25.595 1.00 0.00 O ATOM 0 H GLU A 121 8.198 -0.229 -22.289 1.00 0.00 H new ATOM 0 HA GLU A 121 5.406 0.134 -21.703 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.484 -0.100 -23.962 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.906 -1.754 -23.564 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.482 -2.277 -23.200 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.067 -0.627 -23.617 1.00 0.00 H new ATOM 1828 N ARG A 122 6.768 -2.697 -20.669 1.00 0.00 N ATOM 1829 CA ARG A 122 6.512 -3.797 -19.719 1.00 0.00 C ATOM 1830 C ARG A 122 6.185 -3.245 -18.333 1.00 0.00 C ATOM 1831 O ARG A 122 5.213 -3.670 -17.714 1.00 0.00 O ATOM 1832 CB ARG A 122 7.695 -4.792 -19.605 1.00 0.00 C ATOM 1833 CG ARG A 122 8.218 -5.433 -20.903 1.00 0.00 C ATOM 1834 CD ARG A 122 7.189 -6.213 -21.735 1.00 0.00 C ATOM 1835 NE ARG A 122 7.374 -5.925 -23.174 1.00 0.00 N ATOM 1836 CZ ARG A 122 6.543 -5.220 -23.957 1.00 0.00 C ATOM 1837 NH1 ARG A 122 5.302 -4.933 -23.578 1.00 0.00 N ATOM 1838 NH2 ARG A 122 6.935 -4.767 -25.138 1.00 0.00 N ATOM 0 H ARG A 122 7.700 -2.707 -21.082 1.00 0.00 H new ATOM 0 HA ARG A 122 5.659 -4.346 -20.117 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.526 -4.272 -19.129 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.394 -5.595 -18.932 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.639 -4.646 -21.529 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.035 -6.108 -20.647 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.298 -7.282 -21.553 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.179 -5.939 -21.428 1.00 0.00 H new ATOM 0 HE ARG A 122 8.215 -6.299 -23.614 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.959 -5.250 -22.671 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.692 -4.395 -24.194 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.883 -4.952 -25.466 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.289 -4.233 -25.719 1.00 0.00 H new ATOM 1852 N VAL A 123 6.972 -2.289 -17.849 1.00 0.00 N ATOM 1853 CA VAL A 123 6.792 -1.730 -16.513 1.00 0.00 C ATOM 1854 C VAL A 123 5.496 -0.903 -16.484 1.00 0.00 C ATOM 1855 O VAL A 123 4.752 -0.994 -15.511 1.00 0.00 O ATOM 1856 CB VAL A 123 8.050 -0.943 -16.124 1.00 0.00 C ATOM 1857 CG1 VAL A 123 7.932 -0.290 -14.744 1.00 0.00 C ATOM 1858 CG2 VAL A 123 9.316 -1.816 -16.087 1.00 0.00 C ATOM 0 H VAL A 123 7.749 -1.881 -18.369 1.00 0.00 H new ATOM 0 HA VAL A 123 6.674 -2.511 -15.761 1.00 0.00 H new ATOM 0 HB VAL A 123 8.136 -0.185 -16.902 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.850 0.254 -14.519 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.090 0.402 -14.740 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.773 -1.060 -13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.172 -1.203 -15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.186 -2.615 -15.357 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.488 -2.250 -17.072 1.00 0.00 H new ATOM 1868 N GLU A 124 5.159 -0.154 -17.541 1.00 0.00 N ATOM 1869 CA GLU A 124 3.893 0.569 -17.619 1.00 0.00 C ATOM 1870 C GLU A 124 2.729 -0.405 -17.541 1.00 0.00 C ATOM 1871 O GLU A 124 1.794 -0.176 -16.781 1.00 0.00 O ATOM 1872 CB GLU A 124 3.767 1.399 -18.913 1.00 0.00 C ATOM 1873 CG GLU A 124 4.331 2.816 -18.789 1.00 0.00 C ATOM 1874 CD GLU A 124 3.879 3.704 -19.961 1.00 0.00 C ATOM 1875 OE1 GLU A 124 2.745 4.237 -19.915 1.00 0.00 O ATOM 1876 OE2 GLU A 124 4.668 3.909 -20.913 1.00 0.00 O ATOM 0 H GLU A 124 5.756 -0.035 -18.360 1.00 0.00 H new ATOM 0 HA GLU A 124 3.871 1.257 -16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.285 0.880 -19.720 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.716 1.459 -19.196 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.004 3.258 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.420 2.775 -18.760 1.00 0.00 H new ATOM 1883 N ASN A 125 2.798 -1.505 -18.288 1.00 0.00 N ATOM 1884 CA ASN A 125 1.753 -2.521 -18.313 1.00 0.00 C ATOM 1885 C ASN A 125 1.586 -3.160 -16.932 1.00 0.00 C ATOM 1886 O ASN A 125 0.465 -3.343 -16.467 1.00 0.00 O ATOM 1887 CB ASN A 125 2.080 -3.588 -19.369 1.00 0.00 C ATOM 1888 CG ASN A 125 1.036 -4.699 -19.372 1.00 0.00 C ATOM 1889 OD1 ASN A 125 1.250 -5.760 -18.793 1.00 0.00 O ATOM 1890 ND2 ASN A 125 -0.107 -4.482 -20.006 1.00 0.00 N ATOM 0 H ASN A 125 3.588 -1.716 -18.897 1.00 0.00 H new ATOM 0 HA ASN A 125 0.810 -2.044 -18.580 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.126 -3.126 -20.355 1.00 0.00 H new ATOM 0 HB3 ASN A 125 3.065 -4.011 -19.170 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.828 -5.203 -20.019 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.266 -3.594 -20.481 1.00 0.00 H new ATOM 1897 N LEU A 126 2.692 -3.442 -16.242 1.00 0.00 N ATOM 1898 CA LEU A 126 2.688 -3.980 -14.889 1.00 0.00 C ATOM 1899 C LEU A 126 2.000 -3.026 -13.916 1.00 0.00 C ATOM 1900 O LEU A 126 1.141 -3.447 -13.148 1.00 0.00 O ATOM 1901 CB LEU A 126 4.145 -4.223 -14.466 1.00 0.00 C ATOM 1902 CG LEU A 126 4.305 -4.629 -12.998 1.00 0.00 C ATOM 1903 CD1 LEU A 126 3.595 -5.958 -12.733 1.00 0.00 C ATOM 1904 CD2 LEU A 126 5.790 -4.711 -12.650 1.00 0.00 C ATOM 0 H LEU A 126 3.629 -3.299 -16.618 1.00 0.00 H new ATOM 0 HA LEU A 126 2.128 -4.915 -14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.571 -5.003 -15.097 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.722 -3.316 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 126 3.843 -3.876 -12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.718 -6.233 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.534 -5.855 -12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.027 -6.734 -13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.903 -5.000 -11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.272 -5.453 -13.286 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.255 -3.738 -12.810 1.00 0.00 H new ATOM 1916 N ILE A 127 2.357 -1.745 -13.946 1.00 0.00 N ATOM 1917 CA ILE A 127 1.787 -0.724 -13.081 1.00 0.00 C ATOM 1918 C ILE A 127 0.302 -0.610 -13.416 1.00 0.00 C ATOM 1919 O ILE A 127 -0.522 -0.635 -12.512 1.00 0.00 O ATOM 1920 CB ILE A 127 2.591 0.561 -13.319 1.00 0.00 C ATOM 1921 CG1 ILE A 127 3.981 0.327 -12.690 1.00 0.00 C ATOM 1922 CG2 ILE A 127 1.911 1.792 -12.706 1.00 0.00 C ATOM 1923 CD1 ILE A 127 4.984 1.401 -13.062 1.00 0.00 C ATOM 0 H ILE A 127 3.065 -1.384 -14.586 1.00 0.00 H new ATOM 0 HA ILE A 127 1.849 -0.955 -12.018 1.00 0.00 H new ATOM 0 HB ILE A 127 2.665 0.768 -14.387 1.00 0.00 H new ATOM 0 HG12 ILE A 127 3.882 0.289 -11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.360 -0.644 -13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.517 2.677 -12.900 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.925 1.923 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.807 1.652 -11.630 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.942 1.183 -12.591 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.109 1.423 -14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.623 2.371 -12.719 1.00 0.00 H new ATOM 1935 N ALA A 128 -0.055 -0.561 -14.699 1.00 0.00 N ATOM 1936 CA ALA A 128 -1.443 -0.516 -15.138 1.00 0.00 C ATOM 1937 C ALA A 128 -2.250 -1.737 -14.659 1.00 0.00 C ATOM 1938 O ALA A 128 -3.463 -1.617 -14.465 1.00 0.00 O ATOM 1939 CB ALA A 128 -1.482 -0.391 -16.664 1.00 0.00 C ATOM 0 H ALA A 128 0.618 -0.551 -15.466 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.917 0.356 -14.687 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.518 -0.357 -17.000 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.972 0.523 -16.967 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.984 -1.250 -17.112 1.00 0.00 H new ATOM 1945 N LYS A 129 -1.613 -2.901 -14.451 1.00 0.00 N ATOM 1946 CA LYS A 129 -2.262 -4.063 -13.854 1.00 0.00 C ATOM 1947 C LYS A 129 -2.507 -3.839 -12.366 1.00 0.00 C ATOM 1948 O LYS A 129 -3.639 -3.995 -11.902 1.00 0.00 O ATOM 1949 CB LYS A 129 -1.451 -5.354 -14.084 1.00 0.00 C ATOM 1950 CG LYS A 129 -1.549 -5.885 -15.519 1.00 0.00 C ATOM 1951 CD LYS A 129 -0.462 -6.927 -15.808 1.00 0.00 C ATOM 1952 CE LYS A 129 -0.752 -7.637 -17.137 1.00 0.00 C ATOM 1953 NZ LYS A 129 0.459 -8.273 -17.718 1.00 0.00 N ATOM 0 H LYS A 129 -0.635 -3.055 -14.694 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.224 -4.189 -14.350 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.405 -5.165 -13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.802 -6.122 -13.395 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -2.532 -6.329 -15.677 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -1.457 -5.057 -16.222 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.514 -6.444 -15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.422 -7.656 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.518 -8.397 -16.980 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -1.158 -6.918 -17.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.174 -9.037 -18.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.007 -7.562 -18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.045 -8.666 -16.954 1.00 0.00 H new ATOM 1967 N ILE A 130 -1.459 -3.499 -11.614 1.00 0.00 N ATOM 1968 CA ILE A 130 -1.523 -3.485 -10.162 1.00 0.00 C ATOM 1969 C ILE A 130 -2.198 -2.245 -9.563 1.00 0.00 C ATOM 1970 O ILE A 130 -2.900 -2.371 -8.556 1.00 0.00 O ATOM 1971 CB ILE A 130 -0.134 -3.758 -9.560 1.00 0.00 C ATOM 1972 CG1 ILE A 130 0.865 -2.623 -9.843 1.00 0.00 C ATOM 1973 CG2 ILE A 130 0.387 -5.125 -10.031 1.00 0.00 C ATOM 1974 CD1 ILE A 130 2.298 -2.898 -9.390 1.00 0.00 C ATOM 0 H ILE A 130 -0.552 -3.229 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.188 -4.300 -9.877 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.239 -3.790 -8.476 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.870 -2.423 -10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.512 -1.717 -9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.371 -5.308 -9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.301 -5.907 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.462 -5.131 -11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.927 -2.041 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.313 -3.066 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.678 -3.783 -9.901 1.00 0.00 H new ATOM 1986 N SER A 131 -1.971 -1.068 -10.137 1.00 0.00 N ATOM 1987 CA SER A 131 -2.346 0.222 -9.605 1.00 0.00 C ATOM 1988 C SER A 131 -3.664 0.677 -10.234 1.00 0.00 C ATOM 1989 O SER A 131 -4.663 0.802 -9.488 1.00 0.00 O ATOM 1990 CB SER A 131 -1.199 1.211 -9.813 1.00 0.00 C ATOM 1991 OG SER A 131 -0.074 0.787 -9.049 1.00 0.00 O ATOM 1992 OXT SER A 131 -3.716 0.898 -11.468 1.00 0.00 O ATOM 0 H SER A 131 -1.494 -0.993 -11.035 1.00 0.00 H new ATOM 0 HA SER A 131 -2.520 0.161 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.937 1.266 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.505 2.212 -9.508 1.00 0.00 H new ATOM 0 HG SER A 131 0.666 1.416 -9.179 1.00 0.00 H new