USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 952 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 82 CYS SG : rot -170:sc= -0.157 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.799 K(o=0.64,f=-0.16) USER MOD Set 2.1: A 78 SER OG : rot -99:sc= 1.52 USER MOD Set 2.2: A 80 CYS SG : rot 92:sc= 0.311 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.983 K(o=2.5,f=-3.5!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.12) USER MOD Set 3.3: A 60 GLN : amide:sc= 0.249! K(o=2.5!,f=1.4) USER MOD Set 4.1: A 8 CYS SG : rot -115:sc= 1.26 USER MOD Set 4.2: A 15 SER OG : rot 99:sc= 0.964 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.751 K(o=-0.96,f=-5.2!) USER MOD Set 5.2: A 13 CYS SG : rot -154:sc= 1.02 USER MOD Set 5.3: A 43 HIS : no HD1:sc= -1.23 K(o=-0.96,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.118 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0.918 (180deg=0.916) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.34 (180deg=1.31) USER MOD Single : A 5 MET CE :methyl 179:sc= -0.91 (180deg=-0.913) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0.795 (180deg=0.713) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 174:sc= -2.13 (180deg=-2.24) USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.317 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 61:sc= 0.747 USER MOD Single : A 34 SER OG : rot -97:sc= 1.26 USER MOD Single : A 35 CYS SG : rot -87:sc= 0.326 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 168:sc= -0.841 (180deg=-1.46) USER MOD Single : A 50 MET CE :methyl 147:sc= -0.368 (180deg=-1.54) USER MOD Single : A 58 SER OG : rot 77:sc= 1.21 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.72 K(o=1.7,f=0.13) USER MOD Single : A 69 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.017) USER MOD Single : A 73 TYR OH : rot 52:sc= 0.387 USER MOD Single : A 85 ASN : amide:sc= -0.0061 K(o=-0.0061,f=-3.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 93 GLN : amide:sc= 0.595 K(o=0.59,f=-2.1) USER MOD Single : A 107 GLN : amide:sc= 0.262 K(o=0.26,f=-5.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 118 GLN : amide:sc= 1.34 K(o=1.3,f=-2.3!) USER MOD Single : A 120 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.18) USER MOD Single : A 125 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.2) USER MOD Single : A 131 SER OG : rot -150:sc=-0.00546 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.389 -2.490 -0.342 1.00 0.00 N ATOM 2 CA MET A 1 2.293 -1.607 -1.148 1.00 0.00 C ATOM 3 C MET A 1 3.625 -2.345 -1.404 1.00 0.00 C ATOM 4 O MET A 1 3.926 -3.256 -0.636 1.00 0.00 O ATOM 5 CB MET A 1 2.466 -0.239 -0.432 1.00 0.00 C ATOM 6 CG MET A 1 2.651 0.948 -1.384 1.00 0.00 C ATOM 7 SD MET A 1 1.263 1.248 -2.517 1.00 0.00 S ATOM 8 CE MET A 1 1.727 2.881 -3.159 1.00 0.00 C ATOM 0 H1 MET A 1 0.708 -2.959 -0.973 1.00 0.00 H new ATOM 0 H2 MET A 1 1.956 -3.209 0.151 1.00 0.00 H new ATOM 0 H3 MET A 1 0.875 -1.916 0.356 1.00 0.00 H new ATOM 0 HA MET A 1 1.859 -1.388 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.593 -0.056 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.328 -0.296 0.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.817 1.847 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.553 0.784 -1.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.976 3.217 -3.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.788 3.592 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.696 2.816 -3.654 1.00 0.00 H new ATOM 18 N LYS A 2 4.426 -2.021 -2.447 1.00 0.00 N ATOM 19 CA LYS A 2 5.610 -2.847 -2.784 1.00 0.00 C ATOM 20 C LYS A 2 6.524 -2.963 -1.575 1.00 0.00 C ATOM 21 O LYS A 2 6.880 -1.940 -0.990 1.00 0.00 O ATOM 22 CB LYS A 2 6.375 -2.454 -4.076 1.00 0.00 C ATOM 23 CG LYS A 2 6.910 -1.053 -4.262 1.00 0.00 C ATOM 24 CD LYS A 2 5.810 -0.008 -4.551 1.00 0.00 C ATOM 25 CE LYS A 2 6.408 1.330 -4.997 1.00 0.00 C ATOM 26 NZ LYS A 2 5.391 2.209 -5.647 1.00 0.00 N ATOM 0 H LYS A 2 4.280 -1.215 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 2 5.214 -3.830 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.221 -3.135 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.711 -2.657 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.454 -0.758 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.626 -1.052 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.143 -0.386 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.206 0.143 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.832 1.843 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.227 1.147 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.845 3.089 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.980 1.717 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.639 2.433 -4.965 1.00 0.00 H new ATOM 40 N LYS A 3 6.822 -4.185 -1.148 1.00 0.00 N ATOM 41 CA LYS A 3 7.503 -4.415 0.118 1.00 0.00 C ATOM 42 C LYS A 3 8.988 -4.500 -0.152 1.00 0.00 C ATOM 43 O LYS A 3 9.395 -5.119 -1.135 1.00 0.00 O ATOM 44 CB LYS A 3 7.002 -5.676 0.837 1.00 0.00 C ATOM 45 CG LYS A 3 5.487 -5.934 0.755 1.00 0.00 C ATOM 46 CD LYS A 3 5.020 -7.190 1.511 1.00 0.00 C ATOM 47 CE LYS A 3 5.431 -7.221 2.991 1.00 0.00 C ATOM 48 NZ LYS A 3 4.769 -8.324 3.736 1.00 0.00 N ATOM 0 H LYS A 3 6.600 -5.036 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 3 7.285 -3.584 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.522 -6.539 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.284 -5.609 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.960 -5.067 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.202 -6.027 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.934 -7.258 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.425 -8.072 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.513 -7.334 3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.178 -6.268 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.115 -8.337 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.740 -8.176 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.989 -9.232 3.279 1.00 0.00 H new ATOM 62 N VAL A 4 9.774 -3.949 0.761 1.00 0.00 N ATOM 63 CA VAL A 4 11.222 -3.930 0.679 1.00 0.00 C ATOM 64 C VAL A 4 11.787 -4.622 1.914 1.00 0.00 C ATOM 65 O VAL A 4 11.171 -4.600 2.985 1.00 0.00 O ATOM 66 CB VAL A 4 11.768 -2.500 0.538 1.00 0.00 C ATOM 67 CG1 VAL A 4 13.252 -2.542 0.135 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.970 -1.649 -0.470 1.00 0.00 C ATOM 0 H VAL A 4 9.411 -3.493 1.598 1.00 0.00 H new ATOM 0 HA VAL A 4 11.537 -4.465 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 4 11.659 -2.021 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.631 -1.525 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.822 -3.070 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.356 -3.061 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.403 -0.650 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.010 -2.117 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.932 -1.577 -0.144 1.00 0.00 H new ATOM 78 N MET A 5 12.991 -5.172 1.788 1.00 0.00 N ATOM 79 CA MET A 5 13.699 -5.834 2.861 1.00 0.00 C ATOM 80 C MET A 5 15.142 -5.365 2.798 1.00 0.00 C ATOM 81 O MET A 5 15.724 -5.356 1.713 1.00 0.00 O ATOM 82 CB MET A 5 13.623 -7.339 2.630 1.00 0.00 C ATOM 83 CG MET A 5 14.304 -8.137 3.746 1.00 0.00 C ATOM 84 SD MET A 5 13.654 -7.862 5.416 1.00 0.00 S ATOM 85 CE MET A 5 12.081 -8.751 5.276 1.00 0.00 C ATOM 0 H MET A 5 13.509 -5.165 0.909 1.00 0.00 H new ATOM 0 HA MET A 5 13.271 -5.604 3.836 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.578 -7.640 2.558 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.091 -7.581 1.676 1.00 0.00 H new ATOM 0 HG2 MET A 5 14.219 -9.198 3.513 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.367 -7.895 3.745 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.549 -8.702 6.226 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.473 -8.293 4.496 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.274 -9.793 5.021 1.00 0.00 H new ATOM 95 N PHE A 6 15.709 -5.026 3.954 1.00 0.00 N ATOM 96 CA PHE A 6 17.090 -4.588 4.085 1.00 0.00 C ATOM 97 C PHE A 6 17.799 -5.623 4.966 1.00 0.00 C ATOM 98 O PHE A 6 17.480 -5.736 6.151 1.00 0.00 O ATOM 99 CB PHE A 6 17.151 -3.169 4.664 1.00 0.00 C ATOM 100 CG PHE A 6 16.485 -2.150 3.767 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.101 -1.954 3.868 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.209 -1.496 2.755 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.426 -1.161 2.936 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.537 -0.650 1.856 1.00 0.00 C ATOM 105 CZ PHE A 6 15.148 -0.477 1.944 1.00 0.00 C ATOM 0 H PHE A 6 15.208 -5.050 4.842 1.00 0.00 H new ATOM 0 HA PHE A 6 17.591 -4.531 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.669 -3.158 5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.193 -2.887 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.552 -2.420 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.276 -1.643 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.350 -1.074 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.095 -0.129 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.637 0.178 1.254 1.00 0.00 H new ATOM 115 N VAL A 7 18.698 -6.422 4.402 1.00 0.00 N ATOM 116 CA VAL A 7 19.277 -7.589 5.086 1.00 0.00 C ATOM 117 C VAL A 7 20.622 -7.168 5.679 1.00 0.00 C ATOM 118 O VAL A 7 21.356 -6.428 5.027 1.00 0.00 O ATOM 119 CB VAL A 7 19.438 -8.763 4.083 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.743 -10.100 4.776 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.213 -8.944 3.162 1.00 0.00 C ATOM 0 H VAL A 7 19.051 -6.284 3.455 1.00 0.00 H new ATOM 0 HA VAL A 7 18.624 -7.935 5.887 1.00 0.00 H new ATOM 0 HB VAL A 7 20.294 -8.480 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.845 -10.884 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.672 -10.014 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.929 -10.352 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.387 -9.780 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.329 -9.146 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.056 -8.034 2.583 1.00 0.00 H new ATOM 131 N CYS A 8 20.985 -7.637 6.875 1.00 0.00 N ATOM 132 CA CYS A 8 22.313 -7.409 7.455 1.00 0.00 C ATOM 133 C CYS A 8 22.981 -8.731 7.856 1.00 0.00 C ATOM 134 O CYS A 8 22.302 -9.710 8.167 1.00 0.00 O ATOM 135 CB CYS A 8 22.180 -6.477 8.676 1.00 0.00 C ATOM 136 SG CYS A 8 23.713 -5.514 8.881 1.00 0.00 S ATOM 0 H CYS A 8 20.366 -8.187 7.471 1.00 0.00 H new ATOM 0 HA CYS A 8 22.948 -6.938 6.704 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.332 -5.805 8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.984 -7.063 9.574 1.00 0.00 H new ATOM 0 HG CYS A 8 24.292 -5.851 9.995 1.00 0.00 H new ATOM 142 N LYS A 9 24.319 -8.718 7.934 1.00 0.00 N ATOM 143 CA LYS A 9 25.160 -9.814 8.444 1.00 0.00 C ATOM 144 C LYS A 9 26.309 -9.223 9.281 1.00 0.00 C ATOM 145 O LYS A 9 27.455 -9.668 9.201 1.00 0.00 O ATOM 146 CB LYS A 9 25.644 -10.668 7.249 1.00 0.00 C ATOM 147 CG LYS A 9 26.114 -12.065 7.704 1.00 0.00 C ATOM 148 CD LYS A 9 27.148 -12.712 6.767 1.00 0.00 C ATOM 149 CE LYS A 9 28.485 -11.953 6.633 1.00 0.00 C ATOM 150 NZ LYS A 9 29.164 -11.700 7.938 1.00 0.00 N ATOM 0 H LYS A 9 24.868 -7.913 7.632 1.00 0.00 H new ATOM 0 HA LYS A 9 24.599 -10.475 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.836 -10.773 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.462 -10.155 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.543 -11.985 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.247 -12.722 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.356 -13.720 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.704 -12.810 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.154 -12.524 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.303 -11.000 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.125 -11.343 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.624 -10.995 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.216 -12.586 8.480 1.00 0.00 H new ATOM 164 N ARG A 10 26.024 -8.127 9.986 1.00 0.00 N ATOM 165 CA ARG A 10 26.955 -7.248 10.709 1.00 0.00 C ATOM 166 C ARG A 10 26.104 -6.558 11.781 1.00 0.00 C ATOM 167 O ARG A 10 24.882 -6.711 11.765 1.00 0.00 O ATOM 168 CB ARG A 10 27.563 -6.265 9.666 1.00 0.00 C ATOM 169 CG ARG A 10 28.382 -5.052 10.150 1.00 0.00 C ATOM 170 CD ARG A 10 29.611 -5.424 10.989 1.00 0.00 C ATOM 171 NE ARG A 10 30.634 -6.127 10.201 1.00 0.00 N ATOM 172 CZ ARG A 10 31.513 -7.047 10.623 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.472 -7.542 11.858 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.453 -7.450 9.781 1.00 0.00 N ATOM 0 H ARG A 10 25.061 -7.802 10.076 1.00 0.00 H new ATOM 0 HA ARG A 10 27.790 -7.754 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.203 -6.847 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.741 -5.883 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.707 -4.477 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 10 27.736 -4.402 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.043 -4.519 11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.301 -6.054 11.823 1.00 0.00 H new ATOM 0 HE ARG A 10 30.681 -5.885 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 10 30.758 -7.222 12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.155 -8.241 12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 10 32.494 -7.061 8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.135 -8.149 10.075 1.00 0.00 H new ATOM 188 N ASN A 11 26.725 -5.821 12.707 1.00 0.00 N ATOM 189 CA ASN A 11 26.027 -4.932 13.645 1.00 0.00 C ATOM 190 C ASN A 11 24.936 -4.189 12.868 1.00 0.00 C ATOM 191 O ASN A 11 25.232 -3.611 11.822 1.00 0.00 O ATOM 192 CB ASN A 11 27.036 -3.962 14.297 1.00 0.00 C ATOM 193 CG ASN A 11 26.414 -3.009 15.327 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.201 -2.924 15.477 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.234 -2.292 16.071 1.00 0.00 N ATOM 0 H ASN A 11 27.738 -5.824 12.829 1.00 0.00 H new ATOM 0 HA ASN A 11 25.563 -5.499 14.452 1.00 0.00 H new ATOM 0 HB2 ASN A 11 27.820 -4.543 14.783 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.514 -3.372 13.515 1.00 0.00 H new ATOM 0 HD21 ASN A 11 26.860 -1.660 16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.242 -2.370 15.939 1.00 0.00 H new ATOM 202 N SER A 12 23.690 -4.276 13.344 1.00 0.00 N ATOM 203 CA SER A 12 22.465 -3.838 12.664 1.00 0.00 C ATOM 204 C SER A 12 22.518 -2.500 11.910 1.00 0.00 C ATOM 205 O SER A 12 21.784 -2.341 10.933 1.00 0.00 O ATOM 206 CB SER A 12 21.350 -3.823 13.714 1.00 0.00 C ATOM 207 OG SER A 12 21.625 -2.920 14.773 1.00 0.00 O ATOM 0 H SER A 12 23.498 -4.675 14.263 1.00 0.00 H new ATOM 0 HA SER A 12 22.292 -4.551 11.858 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.409 -3.547 13.238 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.221 -4.827 14.119 1.00 0.00 H new ATOM 0 HG SER A 12 20.889 -2.940 15.419 1.00 0.00 H new ATOM 213 N CYS A 13 23.354 -1.558 12.357 1.00 0.00 N ATOM 214 CA CYS A 13 23.423 -0.161 11.935 1.00 0.00 C ATOM 215 C CYS A 13 23.105 0.089 10.459 1.00 0.00 C ATOM 216 O CYS A 13 22.126 0.767 10.169 1.00 0.00 O ATOM 217 CB CYS A 13 24.820 0.400 12.277 1.00 0.00 C ATOM 218 SG CYS A 13 25.277 -0.032 13.978 1.00 0.00 S ATOM 0 H CYS A 13 24.048 -1.770 13.074 1.00 0.00 H new ATOM 0 HA CYS A 13 22.637 0.358 12.484 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.559 0.000 11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.823 1.483 12.157 1.00 0.00 H new ATOM 0 HG CYS A 13 26.120 0.845 14.437 1.00 0.00 H new ATOM 224 N ARG A 14 23.890 -0.462 9.521 1.00 0.00 N ATOM 225 CA ARG A 14 23.781 -0.059 8.109 1.00 0.00 C ATOM 226 C ARG A 14 22.430 -0.420 7.501 1.00 0.00 C ATOM 227 O ARG A 14 21.744 0.457 6.986 1.00 0.00 O ATOM 228 CB ARG A 14 25.024 -0.496 7.289 1.00 0.00 C ATOM 229 CG ARG A 14 25.218 -2.012 7.070 1.00 0.00 C ATOM 230 CD ARG A 14 26.525 -2.348 6.332 1.00 0.00 C ATOM 231 NE ARG A 14 26.557 -3.786 5.963 1.00 0.00 N ATOM 232 CZ ARG A 14 27.655 -4.554 5.884 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.858 -4.016 5.967 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.545 -5.870 5.744 1.00 0.00 N ATOM 0 H ARG A 14 24.595 -1.175 9.708 1.00 0.00 H new ATOM 0 HA ARG A 14 23.796 1.030 8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.972 -0.016 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.913 -0.109 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.212 -2.517 8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.375 -2.403 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.612 -1.734 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.379 -2.110 6.966 1.00 0.00 H new ATOM 0 HE ARG A 14 25.664 -4.230 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.959 -3.009 6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.687 -4.608 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.622 -6.302 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.383 -6.448 5.685 1.00 0.00 H new ATOM 248 N SER A 15 21.992 -1.666 7.613 1.00 0.00 N ATOM 249 CA SER A 15 20.784 -2.094 6.919 1.00 0.00 C ATOM 250 C SER A 15 19.528 -1.697 7.690 1.00 0.00 C ATOM 251 O SER A 15 18.511 -1.358 7.090 1.00 0.00 O ATOM 252 CB SER A 15 20.833 -3.599 6.745 1.00 0.00 C ATOM 253 OG SER A 15 22.167 -4.001 6.489 1.00 0.00 O ATOM 0 H SER A 15 22.447 -2.390 8.169 1.00 0.00 H new ATOM 0 HA SER A 15 20.741 -1.602 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.459 -4.092 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.186 -3.902 5.922 1.00 0.00 H new ATOM 0 HG SER A 15 22.575 -4.329 7.318 1.00 0.00 H new ATOM 259 N GLN A 16 19.585 -1.702 9.023 1.00 0.00 N ATOM 260 CA GLN A 16 18.428 -1.316 9.819 1.00 0.00 C ATOM 261 C GLN A 16 18.229 0.208 9.708 1.00 0.00 C ATOM 262 O GLN A 16 17.096 0.680 9.679 1.00 0.00 O ATOM 263 CB GLN A 16 18.543 -1.954 11.216 1.00 0.00 C ATOM 264 CG GLN A 16 18.962 -1.040 12.383 1.00 0.00 C ATOM 265 CD GLN A 16 17.776 -0.573 13.223 1.00 0.00 C ATOM 266 OE1 GLN A 16 16.645 -0.532 12.755 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.009 -0.219 14.479 1.00 0.00 N ATOM 0 H GLN A 16 20.409 -1.965 9.564 1.00 0.00 H new ATOM 0 HA GLN A 16 17.482 -1.712 9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.578 -2.396 11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.261 -2.771 11.154 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.666 -1.573 13.022 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.486 -0.170 11.987 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.957 -0.259 14.853 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.240 0.094 15.072 1.00 0.00 H new ATOM 276 N MET A 17 19.309 0.988 9.530 1.00 0.00 N ATOM 277 CA MET A 17 19.188 2.402 9.174 1.00 0.00 C ATOM 278 C MET A 17 18.562 2.515 7.800 1.00 0.00 C ATOM 279 O MET A 17 17.743 3.395 7.567 1.00 0.00 O ATOM 280 CB MET A 17 20.562 3.077 9.119 1.00 0.00 C ATOM 281 CG MET A 17 20.548 4.491 8.514 1.00 0.00 C ATOM 282 SD MET A 17 19.735 5.847 9.412 1.00 0.00 S ATOM 283 CE MET A 17 17.931 5.701 9.306 1.00 0.00 C ATOM 0 H MET A 17 20.270 0.660 9.628 1.00 0.00 H new ATOM 0 HA MET A 17 18.575 2.890 9.932 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.968 3.131 10.129 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.238 2.452 8.536 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.585 4.785 8.349 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.077 4.421 7.534 1.00 0.00 H new ATOM 0 HE1 MET A 17 17.467 6.459 9.937 1.00 0.00 H new ATOM 0 HE2 MET A 17 17.614 5.845 8.273 1.00 0.00 H new ATOM 0 HE3 MET A 17 17.626 4.711 9.644 1.00 0.00 H new ATOM 293 N ALA A 18 18.958 1.653 6.870 1.00 0.00 N ATOM 294 CA ALA A 18 18.452 1.742 5.518 1.00 0.00 C ATOM 295 C ALA A 18 16.940 1.568 5.527 1.00 0.00 C ATOM 296 O ALA A 18 16.252 2.313 4.838 1.00 0.00 O ATOM 297 CB ALA A 18 19.173 0.719 4.642 1.00 0.00 C ATOM 0 H ALA A 18 19.621 0.895 7.031 1.00 0.00 H new ATOM 0 HA ALA A 18 18.651 2.725 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.795 0.783 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.243 0.927 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.997 -0.283 5.033 1.00 0.00 H new ATOM 303 N GLU A 19 16.418 0.699 6.394 1.00 0.00 N ATOM 304 CA GLU A 19 14.989 0.621 6.629 1.00 0.00 C ATOM 305 C GLU A 19 14.445 1.937 7.195 1.00 0.00 C ATOM 306 O GLU A 19 13.393 2.385 6.746 1.00 0.00 O ATOM 307 CB GLU A 19 14.677 -0.536 7.581 1.00 0.00 C ATOM 308 CG GLU A 19 13.182 -0.878 7.577 1.00 0.00 C ATOM 309 CD GLU A 19 12.714 -1.357 8.947 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.193 -2.419 9.405 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.911 -0.646 9.591 1.00 0.00 O ATOM 0 H GLU A 19 16.971 0.041 6.943 1.00 0.00 H new ATOM 0 HA GLU A 19 14.497 0.440 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.253 -1.414 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.988 -0.271 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.608 0.000 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.987 -1.651 6.834 1.00 0.00 H new ATOM 318 N GLY A 20 15.124 2.585 8.152 1.00 0.00 N ATOM 319 CA GLY A 20 14.610 3.797 8.781 1.00 0.00 C ATOM 320 C GLY A 20 14.515 4.935 7.772 1.00 0.00 C ATOM 321 O GLY A 20 13.467 5.569 7.662 1.00 0.00 O ATOM 0 H GLY A 20 16.033 2.284 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.626 3.601 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.262 4.089 9.604 1.00 0.00 H new ATOM 325 N PHE A 21 15.557 5.139 6.957 1.00 0.00 N ATOM 326 CA PHE A 21 15.515 6.095 5.852 1.00 0.00 C ATOM 327 C PHE A 21 14.458 5.658 4.846 1.00 0.00 C ATOM 328 O PHE A 21 13.732 6.504 4.344 1.00 0.00 O ATOM 329 CB PHE A 21 16.884 6.231 5.158 1.00 0.00 C ATOM 330 CG PHE A 21 17.870 7.199 5.784 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.531 8.555 5.965 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.168 6.769 6.104 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.473 9.460 6.486 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.105 7.670 6.618 1.00 0.00 C ATOM 335 CZ PHE A 21 19.761 9.016 6.820 1.00 0.00 C ATOM 0 H PHE A 21 16.446 4.648 7.047 1.00 0.00 H new ATOM 0 HA PHE A 21 15.259 7.073 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.349 5.245 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.714 6.538 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.542 8.901 5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.444 5.736 5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.205 10.496 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.100 7.328 6.861 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.484 9.706 7.230 1.00 0.00 H new ATOM 345 N ALA A 22 14.324 4.364 4.552 1.00 0.00 N ATOM 346 CA ALA A 22 13.396 3.907 3.528 1.00 0.00 C ATOM 347 C ALA A 22 11.945 4.097 3.961 1.00 0.00 C ATOM 348 O ALA A 22 11.136 4.480 3.131 1.00 0.00 O ATOM 349 CB ALA A 22 13.719 2.465 3.133 1.00 0.00 C ATOM 0 H ALA A 22 14.848 3.618 5.010 1.00 0.00 H new ATOM 0 HA ALA A 22 13.521 4.523 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.019 2.132 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.736 2.414 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.633 1.820 4.008 1.00 0.00 H new ATOM 355 N LYS A 23 11.595 3.926 5.238 1.00 0.00 N ATOM 356 CA LYS A 23 10.236 4.192 5.713 1.00 0.00 C ATOM 357 C LYS A 23 9.976 5.669 5.999 1.00 0.00 C ATOM 358 O LYS A 23 8.826 6.073 6.107 1.00 0.00 O ATOM 359 CB LYS A 23 9.861 3.236 6.850 1.00 0.00 C ATOM 360 CG LYS A 23 10.475 3.502 8.229 1.00 0.00 C ATOM 361 CD LYS A 23 10.132 2.294 9.118 1.00 0.00 C ATOM 362 CE LYS A 23 10.730 2.379 10.527 1.00 0.00 C ATOM 363 NZ LYS A 23 10.546 1.094 11.254 1.00 0.00 N ATOM 0 H LYS A 23 12.236 3.604 5.963 1.00 0.00 H new ATOM 0 HA LYS A 23 9.545 3.974 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.776 3.249 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.139 2.227 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.555 3.629 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.076 4.421 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.048 2.208 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.490 1.385 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.792 2.618 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.254 3.188 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.126 1.097 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.545 0.981 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.838 0.305 10.643 1.00 0.00 H new ATOM 377 N THR A 24 11.031 6.473 6.069 1.00 0.00 N ATOM 378 CA THR A 24 10.977 7.925 6.120 1.00 0.00 C ATOM 379 C THR A 24 10.716 8.476 4.709 1.00 0.00 C ATOM 380 O THR A 24 9.802 9.273 4.500 1.00 0.00 O ATOM 381 CB THR A 24 12.333 8.369 6.710 1.00 0.00 C ATOM 382 OG1 THR A 24 12.302 8.239 8.117 1.00 0.00 O ATOM 383 CG2 THR A 24 12.838 9.756 6.323 1.00 0.00 C ATOM 0 H THR A 24 11.985 6.114 6.093 1.00 0.00 H new ATOM 0 HA THR A 24 10.167 8.308 6.740 1.00 0.00 H new ATOM 0 HB THR A 24 13.057 7.695 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.643 7.356 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.798 9.941 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.959 9.811 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.119 10.508 6.646 1.00 0.00 H new ATOM 391 N LEU A 25 11.508 8.026 3.731 1.00 0.00 N ATOM 392 CA LEU A 25 11.572 8.577 2.380 1.00 0.00 C ATOM 393 C LEU A 25 10.571 7.910 1.428 1.00 0.00 C ATOM 394 O LEU A 25 10.111 8.532 0.474 1.00 0.00 O ATOM 395 CB LEU A 25 12.991 8.394 1.820 1.00 0.00 C ATOM 396 CG LEU A 25 14.075 9.279 2.449 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.439 8.905 1.851 1.00 0.00 C ATOM 398 CD2 LEU A 25 13.831 10.775 2.219 1.00 0.00 C ATOM 0 H LEU A 25 12.144 7.240 3.866 1.00 0.00 H new ATOM 0 HA LEU A 25 11.314 9.634 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.280 7.351 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.966 8.589 0.748 1.00 0.00 H new ATOM 0 HG LEU A 25 14.049 9.103 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.214 9.530 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.654 7.857 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.419 9.061 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.630 11.350 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.815 10.981 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.875 11.059 2.658 1.00 0.00 H new ATOM 410 N GLY A 26 10.218 6.652 1.704 1.00 0.00 N ATOM 411 CA GLY A 26 9.296 5.814 0.935 1.00 0.00 C ATOM 412 C GLY A 26 7.919 5.740 1.592 1.00 0.00 C ATOM 413 O GLY A 26 7.131 4.847 1.280 1.00 0.00 O ATOM 0 H GLY A 26 10.590 6.163 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.197 6.213 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.709 4.810 0.841 1.00 0.00 H new ATOM 417 N ALA A 27 7.647 6.636 2.544 1.00 0.00 N ATOM 418 CA ALA A 27 6.458 6.618 3.377 1.00 0.00 C ATOM 419 C ALA A 27 5.207 6.709 2.506 1.00 0.00 C ATOM 420 O ALA A 27 5.035 7.669 1.750 1.00 0.00 O ATOM 421 CB ALA A 27 6.530 7.779 4.380 1.00 0.00 C ATOM 0 H ALA A 27 8.271 7.414 2.757 1.00 0.00 H new ATOM 0 HA ALA A 27 6.405 5.682 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.640 7.772 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.417 7.666 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.585 8.724 3.839 1.00 0.00 H new ATOM 427 N GLY A 28 4.344 5.695 2.599 1.00 0.00 N ATOM 428 CA GLY A 28 3.093 5.654 1.846 1.00 0.00 C ATOM 429 C GLY A 28 3.280 5.289 0.377 1.00 0.00 C ATOM 430 O GLY A 28 2.332 5.387 -0.404 1.00 0.00 O ATOM 0 H GLY A 28 4.494 4.882 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.422 4.930 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.606 6.627 1.911 1.00 0.00 H new ATOM 434 N LYS A 29 4.485 4.865 -0.016 1.00 0.00 N ATOM 435 CA LYS A 29 4.848 4.526 -1.380 1.00 0.00 C ATOM 436 C LYS A 29 5.366 3.104 -1.432 1.00 0.00 C ATOM 437 O LYS A 29 5.248 2.465 -2.472 1.00 0.00 O ATOM 438 CB LYS A 29 5.912 5.508 -1.876 1.00 0.00 C ATOM 439 CG LYS A 29 5.410 6.959 -1.950 1.00 0.00 C ATOM 440 CD LYS A 29 4.394 7.206 -3.082 1.00 0.00 C ATOM 441 CE LYS A 29 3.810 8.633 -3.061 1.00 0.00 C ATOM 442 NZ LYS A 29 4.797 9.687 -3.426 1.00 0.00 N ATOM 0 H LYS A 29 5.258 4.747 0.638 1.00 0.00 H new ATOM 0 HA LYS A 29 3.973 4.597 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.776 5.463 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.252 5.197 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.951 7.224 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.263 7.623 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.878 7.031 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.581 6.485 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.967 8.682 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.419 8.842 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.338 10.620 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.591 9.667 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.153 9.512 -4.387 1.00 0.00 H new ATOM 456 N ILE A 30 5.886 2.591 -0.317 1.00 0.00 N ATOM 457 CA ILE A 30 6.341 1.224 -0.139 1.00 0.00 C ATOM 458 C ILE A 30 6.040 0.743 1.277 1.00 0.00 C ATOM 459 O ILE A 30 5.640 1.525 2.141 1.00 0.00 O ATOM 460 CB ILE A 30 7.861 1.131 -0.413 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.709 2.119 0.413 1.00 0.00 C ATOM 462 CG2 ILE A 30 8.096 1.331 -1.907 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.173 1.692 0.550 1.00 0.00 C ATOM 0 H ILE A 30 6.005 3.152 0.527 1.00 0.00 H new ATOM 0 HA ILE A 30 5.810 0.587 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 30 8.192 0.142 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.667 3.103 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.272 2.219 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.163 1.269 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.569 0.557 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.723 2.311 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.713 2.430 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.224 0.722 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.625 1.619 -0.439 1.00 0.00 H new ATOM 475 N ALA A 31 6.267 -0.552 1.491 1.00 0.00 N ATOM 476 CA ALA A 31 6.287 -1.176 2.808 1.00 0.00 C ATOM 477 C ALA A 31 7.756 -1.532 3.021 1.00 0.00 C ATOM 478 O ALA A 31 8.444 -1.874 2.063 1.00 0.00 O ATOM 479 CB ALA A 31 5.355 -2.391 2.847 1.00 0.00 C ATOM 0 H ALA A 31 6.446 -1.210 0.733 1.00 0.00 H new ATOM 0 HA ALA A 31 5.920 -0.530 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.386 -2.841 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.336 -2.075 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.679 -3.122 2.107 1.00 0.00 H new ATOM 485 N VAL A 32 8.257 -1.443 4.243 1.00 0.00 N ATOM 486 CA VAL A 32 9.679 -1.512 4.533 1.00 0.00 C ATOM 487 C VAL A 32 9.945 -2.424 5.747 1.00 0.00 C ATOM 488 O VAL A 32 9.193 -2.376 6.725 1.00 0.00 O ATOM 489 CB VAL A 32 10.143 -0.055 4.785 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.624 0.123 4.504 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.409 1.038 3.973 1.00 0.00 C ATOM 0 H VAL A 32 7.678 -1.319 5.073 1.00 0.00 H new ATOM 0 HA VAL A 32 10.238 -1.949 3.705 1.00 0.00 H new ATOM 0 HB VAL A 32 9.899 0.085 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.908 1.158 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.199 -0.536 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.829 -0.125 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.815 2.016 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.549 0.855 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.345 1.014 4.209 1.00 0.00 H new ATOM 501 N THR A 33 11.017 -3.231 5.699 1.00 0.00 N ATOM 502 CA THR A 33 11.339 -4.240 6.724 1.00 0.00 C ATOM 503 C THR A 33 12.859 -4.502 6.745 1.00 0.00 C ATOM 504 O THR A 33 13.523 -4.230 5.746 1.00 0.00 O ATOM 505 CB THR A 33 10.559 -5.548 6.428 1.00 0.00 C ATOM 506 OG1 THR A 33 9.684 -5.460 5.310 1.00 0.00 O ATOM 507 CG2 THR A 33 9.714 -5.990 7.626 1.00 0.00 C ATOM 0 H THR A 33 11.694 -3.201 4.937 1.00 0.00 H new ATOM 0 HA THR A 33 11.042 -3.871 7.706 1.00 0.00 H new ATOM 0 HB THR A 33 11.342 -6.274 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.203 -5.260 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.184 -6.909 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.363 -6.166 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.993 -5.210 7.870 1.00 0.00 H new ATOM 515 N SER A 34 13.432 -5.065 7.815 1.00 0.00 N ATOM 516 CA SER A 34 14.849 -5.454 7.859 1.00 0.00 C ATOM 517 C SER A 34 15.032 -6.807 8.559 1.00 0.00 C ATOM 518 O SER A 34 14.117 -7.271 9.246 1.00 0.00 O ATOM 519 CB SER A 34 15.702 -4.336 8.481 1.00 0.00 C ATOM 520 OG SER A 34 15.242 -3.927 9.754 1.00 0.00 O ATOM 0 H SER A 34 12.926 -5.265 8.678 1.00 0.00 H new ATOM 0 HA SER A 34 15.205 -5.589 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.733 -4.680 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.708 -3.477 7.811 1.00 0.00 H new ATOM 0 HG SER A 34 14.688 -3.124 9.659 1.00 0.00 H new ATOM 526 N CYS A 35 16.196 -7.456 8.391 1.00 0.00 N ATOM 527 CA CYS A 35 16.508 -8.727 9.052 1.00 0.00 C ATOM 528 C CYS A 35 18.009 -8.864 9.315 1.00 0.00 C ATOM 529 O CYS A 35 18.820 -8.181 8.686 1.00 0.00 O ATOM 530 CB CYS A 35 15.961 -9.915 8.230 1.00 0.00 C ATOM 531 SG CYS A 35 16.422 -9.853 6.477 1.00 0.00 S ATOM 0 H CYS A 35 16.946 -7.111 7.792 1.00 0.00 H new ATOM 0 HA CYS A 35 16.012 -8.737 10.023 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.329 -10.846 8.662 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.874 -9.934 8.312 1.00 0.00 H new ATOM 0 HG CYS A 35 15.553 -9.139 5.825 1.00 0.00 H new ATOM 537 N GLY A 36 18.364 -9.753 10.243 1.00 0.00 N ATOM 538 CA GLY A 36 19.731 -10.009 10.686 1.00 0.00 C ATOM 539 C GLY A 36 19.829 -9.626 12.159 1.00 0.00 C ATOM 540 O GLY A 36 19.565 -10.457 13.026 1.00 0.00 O ATOM 0 H GLY A 36 17.679 -10.336 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.986 -11.060 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.438 -9.429 10.094 1.00 0.00 H new ATOM 624 N VAL A 42 19.085 -4.138 19.456 1.00 0.00 N ATOM 625 CA VAL A 42 19.258 -2.834 18.824 1.00 0.00 C ATOM 626 C VAL A 42 20.526 -2.177 19.385 1.00 0.00 C ATOM 627 O VAL A 42 21.002 -2.525 20.466 1.00 0.00 O ATOM 628 CB VAL A 42 17.942 -2.026 18.995 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.954 -1.038 20.174 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.552 -1.306 17.697 1.00 0.00 C ATOM 0 HA VAL A 42 19.423 -2.899 17.748 1.00 0.00 H new ATOM 0 HB VAL A 42 17.184 -2.772 19.234 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.998 -0.516 20.221 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.116 -1.583 21.104 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.756 -0.314 20.034 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.627 -0.751 17.853 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.346 -0.616 17.411 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.406 -2.039 16.904 1.00 0.00 H new ATOM 640 N HIS A 43 21.063 -1.215 18.637 1.00 0.00 N ATOM 641 CA HIS A 43 22.370 -0.637 18.903 1.00 0.00 C ATOM 642 C HIS A 43 22.205 0.870 19.122 1.00 0.00 C ATOM 643 O HIS A 43 21.881 1.585 18.172 1.00 0.00 O ATOM 644 CB HIS A 43 23.282 -1.015 17.732 1.00 0.00 C ATOM 645 CG HIS A 43 24.733 -0.729 18.015 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.522 -1.356 18.958 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.505 0.226 17.417 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.736 -0.781 18.933 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.778 0.180 17.995 1.00 0.00 N ATOM 0 H HIS A 43 20.596 -0.814 17.824 1.00 0.00 H new ATOM 0 HA HIS A 43 22.835 -1.020 19.812 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.161 -2.075 17.509 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.973 -0.465 16.843 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.188 0.899 16.634 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.561 -1.053 19.575 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.580 0.761 17.752 1.00 0.00 H new ATOM 657 N PRO A 44 22.410 1.390 20.345 1.00 0.00 N ATOM 658 CA PRO A 44 22.063 2.762 20.703 1.00 0.00 C ATOM 659 C PRO A 44 22.904 3.787 19.952 1.00 0.00 C ATOM 660 O PRO A 44 22.421 4.889 19.701 1.00 0.00 O ATOM 661 CB PRO A 44 22.284 2.866 22.216 1.00 0.00 C ATOM 662 CG PRO A 44 23.427 1.881 22.421 1.00 0.00 C ATOM 663 CD PRO A 44 23.004 0.734 21.502 1.00 0.00 C ATOM 0 HA PRO A 44 21.032 2.982 20.428 1.00 0.00 H new ATOM 0 HB2 PRO A 44 22.553 3.877 22.523 1.00 0.00 H new ATOM 0 HB3 PRO A 44 21.395 2.587 22.781 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.390 2.304 22.134 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.515 1.564 23.460 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.858 0.121 21.215 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.289 0.075 21.994 1.00 0.00 H new ATOM 671 N THR A 45 24.126 3.435 19.540 1.00 0.00 N ATOM 672 CA THR A 45 24.946 4.362 18.777 1.00 0.00 C ATOM 673 C THR A 45 24.256 4.668 17.446 1.00 0.00 C ATOM 674 O THR A 45 24.249 5.818 17.011 1.00 0.00 O ATOM 675 CB THR A 45 26.369 3.803 18.571 1.00 0.00 C ATOM 676 OG1 THR A 45 26.865 3.326 19.812 1.00 0.00 O ATOM 677 CG2 THR A 45 27.306 4.881 18.009 1.00 0.00 C ATOM 0 H THR A 45 24.558 2.529 19.721 1.00 0.00 H new ATOM 0 HA THR A 45 25.054 5.293 19.334 1.00 0.00 H new ATOM 0 HB THR A 45 26.327 2.986 17.851 1.00 0.00 H new ATOM 0 HG1 THR A 45 27.769 2.968 19.687 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.303 4.462 17.873 1.00 0.00 H new ATOM 0 HG22 THR A 45 26.925 5.230 17.049 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.357 5.718 18.705 1.00 0.00 H new ATOM 685 N ALA A 46 23.597 3.672 16.829 1.00 0.00 N ATOM 686 CA ALA A 46 22.854 3.906 15.604 1.00 0.00 C ATOM 687 C ALA A 46 21.687 4.838 15.902 1.00 0.00 C ATOM 688 O ALA A 46 21.502 5.810 15.185 1.00 0.00 O ATOM 689 CB ALA A 46 22.405 2.586 14.958 1.00 0.00 C ATOM 0 H ALA A 46 23.571 2.709 17.164 1.00 0.00 H new ATOM 0 HA ALA A 46 23.501 4.389 14.872 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.852 2.798 14.043 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.280 1.981 14.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.764 2.041 15.651 1.00 0.00 H new ATOM 695 N ILE A 47 20.962 4.612 17.000 1.00 0.00 N ATOM 696 CA ILE A 47 19.830 5.460 17.375 1.00 0.00 C ATOM 697 C ILE A 47 20.298 6.906 17.482 1.00 0.00 C ATOM 698 O ILE A 47 19.692 7.772 16.861 1.00 0.00 O ATOM 699 CB ILE A 47 19.159 4.981 18.678 1.00 0.00 C ATOM 700 CG1 ILE A 47 18.187 3.815 18.455 1.00 0.00 C ATOM 701 CG2 ILE A 47 18.363 6.084 19.407 1.00 0.00 C ATOM 702 CD1 ILE A 47 18.788 2.461 18.109 1.00 0.00 C ATOM 0 H ILE A 47 21.141 3.844 17.647 1.00 0.00 H new ATOM 0 HA ILE A 47 19.069 5.391 16.598 1.00 0.00 H new ATOM 0 HB ILE A 47 20.004 4.667 19.291 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.589 3.697 19.359 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.503 4.095 17.654 1.00 0.00 H new ATOM 0 HG21 ILE A 47 17.919 5.673 20.314 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.033 6.903 19.669 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.574 6.456 18.753 1.00 0.00 H new ATOM 0 HD11 ILE A 47 17.989 1.731 17.979 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.360 2.542 17.184 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.447 2.138 18.915 1.00 0.00 H new ATOM 714 N ALA A 48 21.389 7.170 18.203 1.00 0.00 N ATOM 715 CA ALA A 48 21.878 8.529 18.371 1.00 0.00 C ATOM 716 C ALA A 48 22.252 9.148 17.029 1.00 0.00 C ATOM 717 O ALA A 48 21.908 10.293 16.751 1.00 0.00 O ATOM 718 CB ALA A 48 23.079 8.549 19.313 1.00 0.00 C ATOM 0 H ALA A 48 21.946 6.459 18.677 1.00 0.00 H new ATOM 0 HA ALA A 48 21.076 9.123 18.808 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.434 9.573 19.429 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.785 8.155 20.286 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.877 7.933 18.898 1.00 0.00 H new ATOM 724 N MET A 49 22.921 8.372 16.180 1.00 0.00 N ATOM 725 CA MET A 49 23.301 8.796 14.843 1.00 0.00 C ATOM 726 C MET A 49 22.091 9.112 13.982 1.00 0.00 C ATOM 727 O MET A 49 22.228 9.901 13.050 1.00 0.00 O ATOM 728 CB MET A 49 24.154 7.720 14.177 1.00 0.00 C ATOM 729 CG MET A 49 25.526 7.634 14.844 1.00 0.00 C ATOM 730 SD MET A 49 26.675 8.918 14.284 1.00 0.00 S ATOM 731 CE MET A 49 26.654 9.996 15.730 1.00 0.00 C ATOM 0 H MET A 49 23.216 7.422 16.407 1.00 0.00 H new ATOM 0 HA MET A 49 23.882 9.713 14.940 1.00 0.00 H new ATOM 0 HB2 MET A 49 23.650 6.756 14.243 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.272 7.946 13.117 1.00 0.00 H new ATOM 0 HG2 MET A 49 25.403 7.712 15.924 1.00 0.00 H new ATOM 0 HG3 MET A 49 25.960 6.655 14.642 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.462 10.724 15.653 1.00 0.00 H new ATOM 0 HE2 MET A 49 25.698 10.518 15.781 1.00 0.00 H new ATOM 0 HE3 MET A 49 26.789 9.398 16.631 1.00 0.00 H new ATOM 741 N MET A 50 20.926 8.542 14.269 1.00 0.00 N ATOM 742 CA MET A 50 19.738 8.794 13.469 1.00 0.00 C ATOM 743 C MET A 50 18.946 9.923 14.114 1.00 0.00 C ATOM 744 O MET A 50 18.305 10.706 13.417 1.00 0.00 O ATOM 745 CB MET A 50 18.926 7.513 13.283 1.00 0.00 C ATOM 746 CG MET A 50 19.759 6.353 12.718 1.00 0.00 C ATOM 747 SD MET A 50 21.379 6.730 11.937 1.00 0.00 S ATOM 748 CE MET A 50 22.204 5.130 12.043 1.00 0.00 C ATOM 0 H MET A 50 20.781 7.903 15.050 1.00 0.00 H new ATOM 0 HA MET A 50 20.015 9.113 12.464 1.00 0.00 H new ATOM 0 HB2 MET A 50 18.502 7.215 14.242 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.090 7.713 12.613 1.00 0.00 H new ATOM 0 HG2 MET A 50 19.939 5.649 13.530 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.147 5.836 11.978 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.858 5.000 11.181 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.796 5.086 12.957 1.00 0.00 H new ATOM 0 HE3 MET A 50 21.458 4.336 12.055 1.00 0.00 H new ATOM 758 N GLU A 51 19.064 10.087 15.428 1.00 0.00 N ATOM 759 CA GLU A 51 18.542 11.219 16.159 1.00 0.00 C ATOM 760 C GLU A 51 19.234 12.515 15.706 1.00 0.00 C ATOM 761 O GLU A 51 18.590 13.565 15.648 1.00 0.00 O ATOM 762 CB GLU A 51 18.702 10.942 17.666 1.00 0.00 C ATOM 763 CG GLU A 51 17.954 11.937 18.563 1.00 0.00 C ATOM 764 CD GLU A 51 16.425 11.805 18.432 1.00 0.00 C ATOM 765 OE1 GLU A 51 15.818 11.006 19.188 1.00 0.00 O ATOM 766 OE2 GLU A 51 15.815 12.511 17.594 1.00 0.00 O ATOM 0 H GLU A 51 19.541 9.411 16.024 1.00 0.00 H new ATOM 0 HA GLU A 51 17.481 11.358 15.953 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.345 9.935 17.880 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.762 10.965 17.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.243 11.775 19.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.253 12.953 18.303 1.00 0.00 H new ATOM 773 N GLU A 52 20.504 12.436 15.277 1.00 0.00 N ATOM 774 CA GLU A 52 21.218 13.555 14.655 1.00 0.00 C ATOM 775 C GLU A 52 20.482 14.094 13.415 1.00 0.00 C ATOM 776 O GLU A 52 20.685 15.253 13.040 1.00 0.00 O ATOM 777 CB GLU A 52 22.642 13.172 14.220 1.00 0.00 C ATOM 778 CG GLU A 52 23.661 12.871 15.327 1.00 0.00 C ATOM 779 CD GLU A 52 25.106 13.039 14.828 1.00 0.00 C ATOM 780 OE1 GLU A 52 25.409 12.681 13.665 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.958 13.524 15.607 1.00 0.00 O ATOM 0 H GLU A 52 21.065 11.587 15.354 1.00 0.00 H new ATOM 0 HA GLU A 52 21.263 14.324 15.426 1.00 0.00 H new ATOM 0 HB2 GLU A 52 22.573 12.294 13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.038 13.984 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.488 13.537 16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.516 11.853 15.688 1.00 0.00 H new ATOM 788 N VAL A 53 19.633 13.278 12.779 1.00 0.00 N ATOM 789 CA VAL A 53 18.925 13.591 11.549 1.00 0.00 C ATOM 790 C VAL A 53 17.400 13.441 11.731 1.00 0.00 C ATOM 791 O VAL A 53 16.651 13.498 10.754 1.00 0.00 O ATOM 792 CB VAL A 53 19.521 12.764 10.389 1.00 0.00 C ATOM 793 CG1 VAL A 53 20.945 13.233 10.042 1.00 0.00 C ATOM 794 CG2 VAL A 53 19.575 11.246 10.616 1.00 0.00 C ATOM 0 H VAL A 53 19.417 12.344 13.129 1.00 0.00 H new ATOM 0 HA VAL A 53 19.067 14.639 11.286 1.00 0.00 H new ATOM 0 HB VAL A 53 18.823 12.944 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.337 12.631 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 53 20.920 14.281 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 53 21.588 13.119 10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.010 10.763 9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.187 11.031 11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.566 10.866 10.776 1.00 0.00 H new ATOM 804 N GLY A 54 16.926 13.305 12.978 1.00 0.00 N ATOM 805 CA GLY A 54 15.507 13.263 13.306 1.00 0.00 C ATOM 806 C GLY A 54 14.818 11.994 12.795 1.00 0.00 C ATOM 807 O GLY A 54 13.683 12.070 12.314 1.00 0.00 O ATOM 0 H GLY A 54 17.532 13.220 13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.387 13.326 14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.014 14.136 12.879 1.00 0.00 H new ATOM 811 N ILE A 55 15.487 10.838 12.886 1.00 0.00 N ATOM 812 CA ILE A 55 14.957 9.524 12.536 1.00 0.00 C ATOM 813 C ILE A 55 15.083 8.637 13.783 1.00 0.00 C ATOM 814 O ILE A 55 15.949 8.856 14.633 1.00 0.00 O ATOM 815 CB ILE A 55 15.622 8.948 11.262 1.00 0.00 C ATOM 816 CG1 ILE A 55 15.423 9.960 10.114 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.032 7.561 10.904 1.00 0.00 C ATOM 818 CD1 ILE A 55 15.870 9.421 8.767 1.00 0.00 C ATOM 0 H ILE A 55 16.450 10.796 13.219 1.00 0.00 H new ATOM 0 HA ILE A 55 13.904 9.583 12.260 1.00 0.00 H new ATOM 0 HB ILE A 55 16.688 8.798 11.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.370 10.236 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.979 10.870 10.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.517 7.180 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.202 6.869 11.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.961 7.656 10.725 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.705 10.177 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.930 9.171 8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.296 8.527 8.524 1.00 0.00 H new ATOM 830 N ASP A 56 14.227 7.616 13.878 1.00 0.00 N ATOM 831 CA ASP A 56 14.157 6.695 15.012 1.00 0.00 C ATOM 832 C ASP A 56 14.232 5.263 14.488 1.00 0.00 C ATOM 833 O ASP A 56 13.486 4.892 13.580 1.00 0.00 O ATOM 834 CB ASP A 56 12.861 6.918 15.803 1.00 0.00 C ATOM 835 CG ASP A 56 12.641 5.831 16.873 1.00 0.00 C ATOM 836 OD1 ASP A 56 13.635 5.373 17.487 1.00 0.00 O ATOM 837 OD2 ASP A 56 11.470 5.450 17.114 1.00 0.00 O ATOM 0 H ASP A 56 13.547 7.403 13.149 1.00 0.00 H new ATOM 0 HA ASP A 56 14.993 6.877 15.687 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.893 7.897 16.282 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.015 6.927 15.116 1.00 0.00 H new ATOM 842 N ILE A 57 15.152 4.482 15.057 1.00 0.00 N ATOM 843 CA ILE A 57 15.389 3.073 14.778 1.00 0.00 C ATOM 844 C ILE A 57 15.550 2.305 16.093 1.00 0.00 C ATOM 845 O ILE A 57 16.056 1.185 16.088 1.00 0.00 O ATOM 846 CB ILE A 57 16.513 2.900 13.732 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.898 3.420 14.173 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.116 3.508 12.371 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.001 3.088 13.160 1.00 0.00 C ATOM 0 H ILE A 57 15.788 4.843 15.768 1.00 0.00 H new ATOM 0 HA ILE A 57 14.525 2.616 14.296 1.00 0.00 H new ATOM 0 HB ILE A 57 16.625 1.821 13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.850 4.500 14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.154 2.986 15.139 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.929 3.369 11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.219 3.013 11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.918 4.573 12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.954 3.476 13.519 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.072 2.007 13.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.762 3.544 12.199 1.00 0.00 H new ATOM 861 N SER A 58 15.158 2.895 17.224 1.00 0.00 N ATOM 862 CA SER A 58 15.010 2.213 18.491 1.00 0.00 C ATOM 863 C SER A 58 13.675 1.455 18.443 1.00 0.00 C ATOM 864 O SER A 58 12.814 1.740 17.605 1.00 0.00 O ATOM 865 CB SER A 58 15.039 3.210 19.663 1.00 0.00 C ATOM 866 OG SER A 58 15.244 4.569 19.302 1.00 0.00 O ATOM 0 H SER A 58 14.931 3.888 17.275 1.00 0.00 H new ATOM 0 HA SER A 58 15.837 1.521 18.652 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.097 3.134 20.206 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.829 2.912 20.352 1.00 0.00 H new ATOM 0 HG SER A 58 14.414 4.939 18.936 1.00 0.00 H new ATOM 872 N GLY A 59 13.507 0.450 19.304 1.00 0.00 N ATOM 873 CA GLY A 59 12.334 -0.424 19.274 1.00 0.00 C ATOM 874 C GLY A 59 12.361 -1.400 18.092 1.00 0.00 C ATOM 875 O GLY A 59 11.622 -2.385 18.115 1.00 0.00 O ATOM 0 H GLY A 59 14.177 0.220 20.038 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.281 -0.988 20.206 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.432 0.185 19.218 1.00 0.00 H new ATOM 879 N GLN A 60 13.207 -1.162 17.077 1.00 0.00 N ATOM 880 CA GLN A 60 13.489 -2.116 16.019 1.00 0.00 C ATOM 881 C GLN A 60 14.104 -3.348 16.654 1.00 0.00 C ATOM 882 O GLN A 60 14.847 -3.232 17.635 1.00 0.00 O ATOM 883 CB GLN A 60 14.466 -1.501 15.012 1.00 0.00 C ATOM 884 CG GLN A 60 13.781 -0.438 14.171 1.00 0.00 C ATOM 885 CD GLN A 60 13.171 -1.005 12.894 1.00 0.00 C ATOM 886 OE1 GLN A 60 11.969 -1.232 12.821 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.979 -1.220 11.871 1.00 0.00 N ATOM 0 H GLN A 60 13.717 -0.284 16.977 1.00 0.00 H new ATOM 0 HA GLN A 60 12.573 -2.381 15.491 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.312 -1.062 15.541 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.866 -2.281 14.364 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.999 0.040 14.762 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.503 0.336 13.912 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.976 -1.023 11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.606 -1.583 10.994 1.00 0.00 H new ATOM 896 N THR A 61 13.832 -4.508 16.069 1.00 0.00 N ATOM 897 CA THR A 61 14.167 -5.773 16.702 1.00 0.00 C ATOM 898 C THR A 61 14.594 -6.881 15.730 1.00 0.00 C ATOM 899 O THR A 61 14.501 -6.738 14.509 1.00 0.00 O ATOM 900 CB THR A 61 13.000 -6.243 17.613 1.00 0.00 C ATOM 901 OG1 THR A 61 11.722 -5.845 17.126 1.00 0.00 O ATOM 902 CG2 THR A 61 13.161 -5.681 19.030 1.00 0.00 C ATOM 0 H THR A 61 13.381 -4.597 15.158 1.00 0.00 H new ATOM 0 HA THR A 61 15.052 -5.579 17.309 1.00 0.00 H new ATOM 0 HB THR A 61 13.047 -7.332 17.618 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.025 -6.168 17.735 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.334 -6.022 19.653 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.102 -6.029 19.455 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.162 -4.592 18.991 1.00 0.00 H new ATOM 910 N SER A 62 15.110 -7.975 16.301 1.00 0.00 N ATOM 911 CA SER A 62 15.754 -9.073 15.600 1.00 0.00 C ATOM 912 C SER A 62 14.744 -9.940 14.845 1.00 0.00 C ATOM 913 O SER A 62 13.633 -10.181 15.328 1.00 0.00 O ATOM 914 CB SER A 62 16.496 -9.945 16.631 1.00 0.00 C ATOM 915 OG SER A 62 17.151 -9.146 17.611 1.00 0.00 O ATOM 0 H SER A 62 15.085 -8.118 17.311 1.00 0.00 H new ATOM 0 HA SER A 62 16.445 -8.654 14.868 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.789 -10.615 17.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.228 -10.571 16.121 1.00 0.00 H new ATOM 0 HG SER A 62 17.611 -9.727 18.252 1.00 0.00 H new ATOM 921 N ASP A 63 15.157 -10.454 13.685 1.00 0.00 N ATOM 922 CA ASP A 63 14.426 -11.477 12.938 1.00 0.00 C ATOM 923 C ASP A 63 15.399 -12.015 11.885 1.00 0.00 C ATOM 924 O ASP A 63 15.965 -11.197 11.149 1.00 0.00 O ATOM 925 CB ASP A 63 13.155 -10.899 12.276 1.00 0.00 C ATOM 926 CG ASP A 63 11.875 -11.671 12.660 1.00 0.00 C ATOM 927 OD1 ASP A 63 11.933 -12.882 12.987 1.00 0.00 O ATOM 928 OD2 ASP A 63 10.786 -11.046 12.656 1.00 0.00 O ATOM 0 H ASP A 63 16.024 -10.166 13.231 1.00 0.00 H new ATOM 0 HA ASP A 63 14.083 -12.270 13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.044 -9.854 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.274 -10.919 11.193 1.00 0.00 H new ATOM 933 N PRO A 64 15.687 -13.326 11.815 1.00 0.00 N ATOM 934 CA PRO A 64 16.669 -13.857 10.870 1.00 0.00 C ATOM 935 C PRO A 64 16.097 -13.931 9.449 1.00 0.00 C ATOM 936 O PRO A 64 14.882 -13.983 9.261 1.00 0.00 O ATOM 937 CB PRO A 64 17.041 -15.241 11.420 1.00 0.00 C ATOM 938 CG PRO A 64 15.794 -15.685 12.183 1.00 0.00 C ATOM 939 CD PRO A 64 15.219 -14.372 12.713 1.00 0.00 C ATOM 0 HA PRO A 64 17.546 -13.215 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.286 -15.936 10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.911 -15.189 12.074 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.087 -16.200 11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.041 -16.372 12.993 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.130 -14.406 12.735 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.553 -14.186 13.734 1.00 0.00 H new ATOM 947 N ILE A 65 16.978 -14.021 8.447 1.00 0.00 N ATOM 948 CA ILE A 65 16.609 -14.171 7.035 1.00 0.00 C ATOM 949 C ILE A 65 15.720 -15.395 6.825 1.00 0.00 C ATOM 950 O ILE A 65 14.759 -15.343 6.063 1.00 0.00 O ATOM 951 CB ILE A 65 17.891 -14.201 6.158 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.532 -14.221 4.657 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.840 -15.366 6.520 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.728 -14.150 3.700 1.00 0.00 C ATOM 0 H ILE A 65 17.986 -13.991 8.597 1.00 0.00 H new ATOM 0 HA ILE A 65 16.017 -13.311 6.723 1.00 0.00 H new ATOM 0 HB ILE A 65 18.437 -13.282 6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.971 -15.132 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.868 -13.382 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.717 -15.335 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.152 -15.272 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.321 -16.314 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.372 -14.170 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.280 -13.226 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.384 -15.003 3.874 1.00 0.00 H new ATOM 966 N GLU A 66 16.008 -16.474 7.554 1.00 0.00 N ATOM 967 CA GLU A 66 15.312 -17.744 7.421 1.00 0.00 C ATOM 968 C GLU A 66 13.861 -17.664 7.917 1.00 0.00 C ATOM 969 O GLU A 66 13.030 -18.479 7.511 1.00 0.00 O ATOM 970 CB GLU A 66 16.097 -18.816 8.195 1.00 0.00 C ATOM 971 CG GLU A 66 17.352 -19.301 7.462 1.00 0.00 C ATOM 972 CD GLU A 66 17.014 -20.097 6.188 1.00 0.00 C ATOM 973 OE1 GLU A 66 16.686 -21.304 6.293 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.087 -19.526 5.074 1.00 0.00 O ATOM 0 H GLU A 66 16.742 -16.485 8.262 1.00 0.00 H new ATOM 0 HA GLU A 66 15.261 -18.007 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.385 -18.414 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.444 -19.668 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.970 -18.443 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.943 -19.926 8.132 1.00 0.00 H new ATOM 981 N ASN A 67 13.535 -16.681 8.769 1.00 0.00 N ATOM 982 CA ASN A 67 12.155 -16.415 9.154 1.00 0.00 C ATOM 983 C ASN A 67 11.353 -15.832 7.980 1.00 0.00 C ATOM 984 O ASN A 67 10.124 -15.949 7.987 1.00 0.00 O ATOM 985 CB ASN A 67 12.057 -15.527 10.412 1.00 0.00 C ATOM 986 CG ASN A 67 11.416 -14.167 10.149 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.210 -13.986 10.313 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.205 -13.207 9.707 1.00 0.00 N ATOM 0 H ASN A 67 14.217 -16.058 9.202 1.00 0.00 H new ATOM 0 HA ASN A 67 11.707 -17.373 9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.479 -16.051 11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.057 -15.376 10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.819 -12.288 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.201 -13.384 9.580 1.00 0.00 H new ATOM 995 N PHE A 68 12.009 -15.225 6.982 1.00 0.00 N ATOM 996 CA PHE A 68 11.345 -14.501 5.913 1.00 0.00 C ATOM 997 C PHE A 68 11.399 -15.260 4.587 1.00 0.00 C ATOM 998 O PHE A 68 12.122 -16.243 4.414 1.00 0.00 O ATOM 999 CB PHE A 68 11.896 -13.062 5.807 1.00 0.00 C ATOM 1000 CG PHE A 68 11.538 -12.121 6.951 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.247 -12.129 7.522 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.497 -11.215 7.445 1.00 0.00 C ATOM 1003 CE1 PHE A 68 9.919 -11.243 8.561 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.160 -10.322 8.482 1.00 0.00 C ATOM 1005 CZ PHE A 68 10.875 -10.337 9.042 1.00 0.00 C ATOM 0 H PHE A 68 13.026 -15.228 6.902 1.00 0.00 H new ATOM 0 HA PHE A 68 10.287 -14.422 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.982 -13.115 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.535 -12.624 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.505 -12.823 7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.493 -11.205 7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.928 -11.259 8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.896 -9.622 8.848 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.623 -9.654 9.840 1.00 0.00 H new ATOM 1015 N ASN A 69 10.564 -14.795 3.656 1.00 0.00 N ATOM 1016 CA ASN A 69 10.243 -15.411 2.392 1.00 0.00 C ATOM 1017 C ASN A 69 10.168 -14.223 1.453 1.00 0.00 C ATOM 1018 O ASN A 69 9.128 -13.563 1.409 1.00 0.00 O ATOM 1019 CB ASN A 69 8.907 -16.152 2.569 1.00 0.00 C ATOM 1020 CG ASN A 69 8.282 -16.646 1.273 1.00 0.00 C ATOM 1021 OD1 ASN A 69 8.289 -17.828 0.940 1.00 0.00 O ATOM 1022 ND2 ASN A 69 7.625 -15.728 0.605 1.00 0.00 N ATOM 0 H ASN A 69 10.065 -13.915 3.787 1.00 0.00 H new ATOM 0 HA ASN A 69 10.949 -16.151 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.064 -17.005 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.201 -15.488 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.093 -15.985 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.646 -14.757 0.917 1.00 0.00 H new ATOM 1029 N ALA A 70 11.293 -13.847 0.833 1.00 0.00 N ATOM 1030 CA ALA A 70 11.368 -12.703 -0.054 1.00 0.00 C ATOM 1031 C ALA A 70 10.259 -12.708 -1.098 1.00 0.00 C ATOM 1032 O ALA A 70 9.812 -11.643 -1.495 1.00 0.00 O ATOM 1033 CB ALA A 70 12.703 -12.678 -0.776 1.00 0.00 C ATOM 0 H ALA A 70 12.180 -14.340 0.941 1.00 0.00 H new ATOM 0 HA ALA A 70 11.254 -11.818 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.743 -11.813 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.510 -12.614 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.816 -13.589 -1.363 1.00 0.00 H new ATOM 1039 N ASP A 71 9.815 -13.880 -1.539 1.00 0.00 N ATOM 1040 CA ASP A 71 8.687 -14.041 -2.456 1.00 0.00 C ATOM 1041 C ASP A 71 7.427 -13.284 -1.994 1.00 0.00 C ATOM 1042 O ASP A 71 6.630 -12.855 -2.832 1.00 0.00 O ATOM 1043 CB ASP A 71 8.391 -15.533 -2.671 1.00 0.00 C ATOM 1044 CG ASP A 71 6.897 -15.839 -2.869 1.00 0.00 C ATOM 1045 OD1 ASP A 71 6.210 -16.095 -1.849 1.00 0.00 O ATOM 1046 OD2 ASP A 71 6.427 -15.869 -4.031 1.00 0.00 O ATOM 0 H ASP A 71 10.238 -14.767 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 71 8.976 -13.594 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.944 -15.883 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.759 -16.096 -1.813 1.00 0.00 H new ATOM 1051 N ASP A 72 7.255 -13.086 -0.684 1.00 0.00 N ATOM 1052 CA ASP A 72 6.145 -12.314 -0.126 1.00 0.00 C ATOM 1053 C ASP A 72 6.300 -10.803 -0.382 1.00 0.00 C ATOM 1054 O ASP A 72 5.308 -10.069 -0.413 1.00 0.00 O ATOM 1055 CB ASP A 72 6.037 -12.576 1.379 1.00 0.00 C ATOM 1056 CG ASP A 72 4.815 -11.859 1.970 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.674 -12.311 1.712 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.993 -10.874 2.724 1.00 0.00 O ATOM 0 H ASP A 72 7.888 -13.460 0.023 1.00 0.00 H new ATOM 0 HA ASP A 72 5.234 -12.640 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.959 -13.648 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.943 -12.233 1.879 1.00 0.00 H new ATOM 1063 N TYR A 73 7.536 -10.354 -0.603 1.00 0.00 N ATOM 1064 CA TYR A 73 7.983 -8.986 -0.788 1.00 0.00 C ATOM 1065 C TYR A 73 8.264 -8.758 -2.283 1.00 0.00 C ATOM 1066 O TYR A 73 8.115 -9.681 -3.095 1.00 0.00 O ATOM 1067 CB TYR A 73 9.251 -8.697 0.057 1.00 0.00 C ATOM 1068 CG TYR A 73 9.144 -9.042 1.536 1.00 0.00 C ATOM 1069 CD1 TYR A 73 9.136 -10.393 1.925 1.00 0.00 C ATOM 1070 CD2 TYR A 73 9.043 -8.042 2.523 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.941 -10.763 3.264 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.827 -8.403 3.865 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.756 -9.762 4.243 1.00 0.00 C ATOM 1074 OH TYR A 73 8.511 -10.079 5.547 1.00 0.00 O ATOM 0 H TYR A 73 8.318 -11.006 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 73 7.204 -8.302 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.085 -9.254 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.495 -7.639 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.283 -11.160 1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.131 -7.001 2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.932 -11.806 3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.714 -7.633 4.614 1.00 0.00 H new ATOM 0 HH TYR A 73 9.192 -10.709 5.864 1.00 0.00 H new ATOM 1084 N ASP A 74 8.669 -7.538 -2.665 1.00 0.00 N ATOM 1085 CA ASP A 74 8.899 -7.211 -4.073 1.00 0.00 C ATOM 1086 C ASP A 74 10.310 -6.694 -4.331 1.00 0.00 C ATOM 1087 O ASP A 74 10.726 -6.674 -5.484 1.00 0.00 O ATOM 1088 CB ASP A 74 7.902 -6.138 -4.539 1.00 0.00 C ATOM 1089 CG ASP A 74 6.436 -6.502 -4.272 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.949 -6.178 -3.162 1.00 0.00 O ATOM 1091 OD2 ASP A 74 5.780 -7.091 -5.164 1.00 0.00 O ATOM 0 H ASP A 74 8.842 -6.767 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 74 8.763 -8.138 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.131 -5.198 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.037 -5.969 -5.607 1.00 0.00 H new ATOM 1096 N VAL A 75 11.066 -6.254 -3.329 1.00 0.00 N ATOM 1097 CA VAL A 75 12.327 -5.555 -3.527 1.00 0.00 C ATOM 1098 C VAL A 75 13.255 -6.013 -2.397 1.00 0.00 C ATOM 1099 O VAL A 75 12.914 -5.885 -1.222 1.00 0.00 O ATOM 1100 CB VAL A 75 11.987 -4.055 -3.558 1.00 0.00 C ATOM 1101 CG1 VAL A 75 13.118 -3.046 -3.339 1.00 0.00 C ATOM 1102 CG2 VAL A 75 11.172 -3.604 -4.779 1.00 0.00 C ATOM 0 H VAL A 75 10.816 -6.375 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 75 12.853 -5.769 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 75 11.375 -4.023 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.717 -2.034 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.567 -3.210 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.876 -3.176 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.981 -2.533 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.732 -3.818 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.224 -4.141 -4.802 1.00 0.00 H new ATOM 1112 N VAL A 76 14.434 -6.543 -2.718 1.00 0.00 N ATOM 1113 CA VAL A 76 15.396 -6.976 -1.730 1.00 0.00 C ATOM 1114 C VAL A 76 16.618 -6.120 -1.925 1.00 0.00 C ATOM 1115 O VAL A 76 17.163 -6.036 -3.030 1.00 0.00 O ATOM 1116 CB VAL A 76 15.724 -8.464 -1.939 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.070 -8.890 -1.317 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.595 -9.318 -1.342 1.00 0.00 C ATOM 0 H VAL A 76 14.742 -6.681 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 76 15.011 -6.870 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 76 15.812 -8.621 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.237 -9.951 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.878 -8.312 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.048 -8.709 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.822 -10.374 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.506 -9.109 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.655 -9.077 -1.839 1.00 0.00 H new ATOM 1128 N ILE A 77 17.073 -5.568 -0.811 1.00 0.00 N ATOM 1129 CA ILE A 77 18.329 -4.891 -0.693 1.00 0.00 C ATOM 1130 C ILE A 77 19.062 -5.710 0.353 1.00 0.00 C ATOM 1131 O ILE A 77 18.863 -5.540 1.555 1.00 0.00 O ATOM 1132 CB ILE A 77 18.105 -3.433 -0.283 1.00 0.00 C ATOM 1133 CG1 ILE A 77 17.264 -2.619 -1.291 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.462 -2.765 -0.062 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.731 -2.656 -2.755 1.00 0.00 C ATOM 0 H ILE A 77 16.547 -5.587 0.063 1.00 0.00 H new ATOM 0 HA ILE A 77 18.901 -4.827 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 77 17.523 -3.447 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.237 -2.981 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 77 17.249 -1.580 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 77 19.313 -1.726 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.002 -3.290 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.041 -2.803 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 17.063 -2.048 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.745 -2.261 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.717 -3.685 -3.116 1.00 0.00 H new ATOM 1147 N SER A 78 19.837 -6.684 -0.094 1.00 0.00 N ATOM 1148 CA SER A 78 20.733 -7.354 0.817 1.00 0.00 C ATOM 1149 C SER A 78 21.879 -6.378 1.143 1.00 0.00 C ATOM 1150 O SER A 78 22.062 -5.377 0.453 1.00 0.00 O ATOM 1151 CB SER A 78 21.083 -8.713 0.205 1.00 0.00 C ATOM 1152 OG SER A 78 22.140 -9.356 0.877 1.00 0.00 O ATOM 0 H SER A 78 19.861 -7.018 -1.057 1.00 0.00 H new ATOM 0 HA SER A 78 20.315 -7.604 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.202 -9.354 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.353 -8.576 -0.842 1.00 0.00 H new ATOM 0 HG SER A 78 22.976 -9.212 0.385 1.00 0.00 H new ATOM 1158 N LEU A 79 22.623 -6.598 2.226 1.00 0.00 N ATOM 1159 CA LEU A 79 23.864 -5.879 2.531 1.00 0.00 C ATOM 1160 C LEU A 79 24.816 -6.911 3.123 1.00 0.00 C ATOM 1161 O LEU A 79 25.399 -6.713 4.191 1.00 0.00 O ATOM 1162 CB LEU A 79 23.707 -4.651 3.461 1.00 0.00 C ATOM 1163 CG LEU A 79 22.858 -3.474 2.952 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.344 -3.632 3.133 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.244 -2.173 3.668 1.00 0.00 C ATOM 0 H LEU A 79 22.378 -7.293 2.931 1.00 0.00 H new ATOM 0 HA LEU A 79 24.245 -5.437 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.275 -4.995 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.704 -4.272 3.688 1.00 0.00 H new ATOM 0 HG LEU A 79 23.073 -3.450 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.837 -2.750 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.003 -4.515 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.114 -3.744 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.630 -1.355 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.081 -2.285 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.295 -1.953 3.482 1.00 0.00 H new ATOM 1177 N CYS A 80 24.905 -8.063 2.461 1.00 0.00 N ATOM 1178 CA CYS A 80 25.772 -9.161 2.854 1.00 0.00 C ATOM 1179 C CYS A 80 27.157 -9.022 2.197 1.00 0.00 C ATOM 1180 O CYS A 80 28.011 -9.883 2.410 1.00 0.00 O ATOM 1181 CB CYS A 80 25.080 -10.492 2.520 1.00 0.00 C ATOM 1182 SG CYS A 80 23.533 -10.643 3.465 1.00 0.00 S ATOM 0 H CYS A 80 24.363 -8.259 1.619 1.00 0.00 H new ATOM 0 HA CYS A 80 25.945 -9.137 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.870 -10.544 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.742 -11.325 2.755 1.00 0.00 H new ATOM 0 HG CYS A 80 22.547 -10.173 2.761 1.00 0.00 H new ATOM 1188 N GLY A 81 27.407 -7.952 1.423 1.00 0.00 N ATOM 1189 CA GLY A 81 28.735 -7.655 0.895 1.00 0.00 C ATOM 1190 C GLY A 81 28.932 -8.317 -0.463 1.00 0.00 C ATOM 1191 O GLY A 81 29.983 -8.914 -0.700 1.00 0.00 O ATOM 0 H GLY A 81 26.693 -7.276 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.862 -6.576 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.496 -8.007 1.591 1.00 0.00 H new ATOM 1195 N CYS A 82 27.894 -8.243 -1.311 1.00 0.00 N ATOM 1196 CA CYS A 82 27.816 -8.787 -2.669 1.00 0.00 C ATOM 1197 C CYS A 82 28.507 -10.155 -2.855 1.00 0.00 C ATOM 1198 O CYS A 82 29.237 -10.368 -3.827 1.00 0.00 O ATOM 1199 CB CYS A 82 28.228 -7.697 -3.675 1.00 0.00 C ATOM 1200 SG CYS A 82 29.945 -7.126 -3.464 1.00 0.00 S ATOM 0 H CYS A 82 27.031 -7.769 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 82 26.778 -9.048 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 82 28.103 -8.082 -4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.555 -6.846 -3.572 1.00 0.00 H new ATOM 0 HG CYS A 82 30.146 -6.073 -4.200 1.00 0.00 H new ATOM 1206 N GLY A 83 28.284 -11.080 -1.912 1.00 0.00 N ATOM 1207 CA GLY A 83 28.973 -12.368 -1.850 1.00 0.00 C ATOM 1208 C GLY A 83 28.155 -13.381 -1.055 1.00 0.00 C ATOM 1209 O GLY A 83 28.668 -14.018 -0.134 1.00 0.00 O ATOM 0 H GLY A 83 27.608 -10.948 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.144 -12.743 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 83 29.952 -12.240 -1.387 1.00 0.00 H new ATOM 1213 N VAL A 84 26.860 -13.475 -1.370 1.00 0.00 N ATOM 1214 CA VAL A 84 25.863 -14.245 -0.649 1.00 0.00 C ATOM 1215 C VAL A 84 25.104 -15.161 -1.620 1.00 0.00 C ATOM 1216 O VAL A 84 25.113 -14.955 -2.837 1.00 0.00 O ATOM 1217 CB VAL A 84 24.997 -13.242 0.141 1.00 0.00 C ATOM 1218 CG1 VAL A 84 24.204 -12.270 -0.750 1.00 0.00 C ATOM 1219 CG2 VAL A 84 24.070 -13.908 1.169 1.00 0.00 C ATOM 0 H VAL A 84 26.467 -12.989 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 84 26.297 -14.932 0.077 1.00 0.00 H new ATOM 0 HB VAL A 84 25.727 -12.650 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.620 -11.596 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.896 -11.689 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.534 -12.835 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 84 23.492 -13.143 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 84 23.392 -14.592 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 84 24.668 -14.462 1.892 1.00 0.00 H new ATOM 1229 N ASN A 85 24.439 -16.173 -1.061 1.00 0.00 N ATOM 1230 CA ASN A 85 23.800 -17.294 -1.745 1.00 0.00 C ATOM 1231 C ASN A 85 22.315 -17.346 -1.363 1.00 0.00 C ATOM 1232 O ASN A 85 21.776 -18.400 -1.011 1.00 0.00 O ATOM 1233 CB ASN A 85 24.557 -18.591 -1.401 1.00 0.00 C ATOM 1234 CG ASN A 85 24.463 -19.013 0.073 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.267 -18.197 0.974 1.00 0.00 O ATOM 1236 ND2 ASN A 85 24.645 -20.293 0.359 1.00 0.00 N ATOM 0 H ASN A 85 24.326 -16.234 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 85 23.845 -17.170 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.169 -19.398 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 85 25.607 -18.464 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.623 -20.607 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.807 -20.965 -0.391 1.00 0.00 H new ATOM 1243 N LEU A 86 21.665 -16.173 -1.384 1.00 0.00 N ATOM 1244 CA LEU A 86 20.246 -16.011 -1.052 1.00 0.00 C ATOM 1245 C LEU A 86 19.408 -16.965 -1.925 1.00 0.00 C ATOM 1246 O LEU A 86 19.727 -17.106 -3.113 1.00 0.00 O ATOM 1247 CB LEU A 86 19.761 -14.569 -1.314 1.00 0.00 C ATOM 1248 CG LEU A 86 20.605 -13.425 -0.722 1.00 0.00 C ATOM 1249 CD1 LEU A 86 20.129 -12.081 -1.270 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.581 -13.356 0.806 1.00 0.00 C ATOM 0 H LEU A 86 22.121 -15.296 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 86 20.125 -16.236 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.703 -14.423 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.747 -14.477 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 86 21.631 -13.638 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.733 -11.280 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.230 -12.074 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.084 -11.929 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.200 -12.524 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.557 -13.208 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.970 -14.287 1.218 1.00 0.00 H new ATOM 1262 N PRO A 87 18.347 -17.598 -1.389 1.00 0.00 N ATOM 1263 CA PRO A 87 17.435 -18.413 -2.183 1.00 0.00 C ATOM 1264 C PRO A 87 16.863 -17.652 -3.390 1.00 0.00 C ATOM 1265 O PRO A 87 16.694 -16.434 -3.303 1.00 0.00 O ATOM 1266 CB PRO A 87 16.307 -18.825 -1.239 1.00 0.00 C ATOM 1267 CG PRO A 87 16.918 -18.717 0.159 1.00 0.00 C ATOM 1268 CD PRO A 87 17.985 -17.633 0.020 1.00 0.00 C ATOM 0 HA PRO A 87 17.966 -19.271 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.442 -18.171 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.967 -19.840 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.168 -18.444 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.352 -19.665 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.603 -16.666 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.853 -17.859 0.639 1.00 0.00 H new ATOM 1276 N PRO A 88 16.470 -18.333 -4.483 1.00 0.00 N ATOM 1277 CA PRO A 88 16.055 -17.668 -5.715 1.00 0.00 C ATOM 1278 C PRO A 88 14.919 -16.646 -5.578 1.00 0.00 C ATOM 1279 O PRO A 88 14.847 -15.697 -6.355 1.00 0.00 O ATOM 1280 CB PRO A 88 15.669 -18.789 -6.686 1.00 0.00 C ATOM 1281 CG PRO A 88 16.516 -19.968 -6.216 1.00 0.00 C ATOM 1282 CD PRO A 88 16.581 -19.772 -4.701 1.00 0.00 C ATOM 0 HA PRO A 88 16.886 -17.057 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.604 -19.014 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.891 -18.521 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.059 -20.922 -6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.509 -19.955 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.773 -20.307 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.516 -20.158 -4.296 1.00 0.00 H new ATOM 1290 N GLU A 89 14.040 -16.786 -4.583 1.00 0.00 N ATOM 1291 CA GLU A 89 12.916 -15.882 -4.378 1.00 0.00 C ATOM 1292 C GLU A 89 13.380 -14.465 -4.030 1.00 0.00 C ATOM 1293 O GLU A 89 12.685 -13.484 -4.296 1.00 0.00 O ATOM 1294 CB GLU A 89 11.989 -16.440 -3.298 1.00 0.00 C ATOM 1295 CG GLU A 89 12.691 -16.823 -1.990 1.00 0.00 C ATOM 1296 CD GLU A 89 11.669 -17.275 -0.940 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.926 -16.396 -0.450 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.637 -18.482 -0.596 1.00 0.00 O ATOM 0 H GLU A 89 14.092 -17.537 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 89 12.363 -15.811 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.220 -15.699 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.480 -17.319 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.407 -17.623 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.256 -15.971 -1.612 1.00 0.00 H new ATOM 1305 N TRP A 90 14.583 -14.347 -3.468 1.00 0.00 N ATOM 1306 CA TRP A 90 15.242 -13.086 -3.187 1.00 0.00 C ATOM 1307 C TRP A 90 15.724 -12.384 -4.462 1.00 0.00 C ATOM 1308 O TRP A 90 16.105 -11.217 -4.394 1.00 0.00 O ATOM 1309 CB TRP A 90 16.400 -13.323 -2.206 1.00 0.00 C ATOM 1310 CG TRP A 90 16.003 -13.783 -0.820 1.00 0.00 C ATOM 1311 CD1 TRP A 90 15.629 -15.030 -0.452 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.872 -12.992 0.399 1.00 0.00 C ATOM 1313 NE1 TRP A 90 15.246 -15.043 0.877 1.00 0.00 N ATOM 1314 CE2 TRP A 90 15.312 -13.788 1.435 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.084 -11.639 0.697 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.941 -13.250 2.678 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.741 -11.073 1.932 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.155 -11.881 2.930 1.00 0.00 C ATOM 0 H TRP A 90 15.138 -15.157 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 90 14.515 -12.416 -2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 90 17.071 -14.066 -2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.968 -12.397 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.629 -15.892 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.951 -15.880 1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.530 -11.007 -0.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.496 -13.880 3.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.924 -10.025 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.873 -11.452 3.880 1.00 0.00 H new ATOM 1329 N VAL A 91 15.669 -13.052 -5.615 1.00 0.00 N ATOM 1330 CA VAL A 91 16.194 -12.590 -6.886 1.00 0.00 C ATOM 1331 C VAL A 91 15.047 -12.286 -7.856 1.00 0.00 C ATOM 1332 O VAL A 91 15.173 -11.381 -8.682 1.00 0.00 O ATOM 1333 CB VAL A 91 17.195 -13.616 -7.435 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.857 -13.171 -8.746 1.00 0.00 C ATOM 1335 CG2 VAL A 91 18.285 -13.990 -6.412 1.00 0.00 C ATOM 0 H VAL A 91 15.235 -13.973 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 91 16.737 -11.655 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 91 16.593 -14.501 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.553 -13.940 -9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.091 -13.018 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.397 -12.239 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.965 -14.718 -6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.843 -13.097 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.819 -14.420 -5.525 1.00 0.00 H new ATOM 1345 N THR A 92 13.911 -12.980 -7.741 1.00 0.00 N ATOM 1346 CA THR A 92 12.776 -12.849 -8.667 1.00 0.00 C ATOM 1347 C THR A 92 11.972 -11.554 -8.444 1.00 0.00 C ATOM 1348 O THR A 92 11.103 -11.191 -9.243 1.00 0.00 O ATOM 1349 CB THR A 92 11.901 -14.102 -8.542 1.00 0.00 C ATOM 1350 OG1 THR A 92 11.632 -14.366 -7.176 1.00 0.00 O ATOM 1351 CG2 THR A 92 12.656 -15.302 -9.120 1.00 0.00 C ATOM 0 H THR A 92 13.749 -13.657 -6.995 1.00 0.00 H new ATOM 0 HA THR A 92 13.158 -12.771 -9.685 1.00 0.00 H new ATOM 0 HB THR A 92 10.968 -13.939 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.071 -15.166 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.039 -16.196 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.883 -15.118 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.585 -15.448 -8.568 1.00 0.00 H new ATOM 1359 N GLN A 93 12.289 -10.868 -7.349 1.00 0.00 N ATOM 1360 CA GLN A 93 11.899 -9.543 -6.944 1.00 0.00 C ATOM 1361 C GLN A 93 12.014 -8.535 -8.104 1.00 0.00 C ATOM 1362 O GLN A 93 12.825 -8.692 -9.020 1.00 0.00 O ATOM 1363 CB GLN A 93 12.903 -9.187 -5.838 1.00 0.00 C ATOM 1364 CG GLN A 93 12.983 -10.124 -4.630 1.00 0.00 C ATOM 1365 CD GLN A 93 11.694 -10.164 -3.833 1.00 0.00 C ATOM 1366 OE1 GLN A 93 11.390 -9.248 -3.081 1.00 0.00 O ATOM 1367 NE2 GLN A 93 10.933 -11.230 -3.964 1.00 0.00 N ATOM 0 H GLN A 93 12.899 -11.289 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 93 10.860 -9.507 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.894 -9.132 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.663 -8.188 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.225 -11.130 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.797 -9.803 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.210 -11.979 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.066 -11.307 -3.431 1.00 0.00 H new ATOM 1376 N GLU A 94 11.242 -7.452 -8.019 1.00 0.00 N ATOM 1377 CA GLU A 94 11.323 -6.284 -8.873 1.00 0.00 C ATOM 1378 C GLU A 94 12.695 -5.622 -8.708 1.00 0.00 C ATOM 1379 O GLU A 94 13.300 -5.212 -9.703 1.00 0.00 O ATOM 1380 CB GLU A 94 10.145 -5.353 -8.523 1.00 0.00 C ATOM 1381 CG GLU A 94 10.437 -3.866 -8.714 1.00 0.00 C ATOM 1382 CD GLU A 94 9.159 -3.015 -8.604 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.697 -2.741 -7.471 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.614 -2.606 -9.659 1.00 0.00 O ATOM 0 H GLU A 94 10.509 -7.369 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 94 11.237 -6.546 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.288 -5.624 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.859 -5.524 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.158 -3.538 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.896 -3.708 -9.690 1.00 0.00 H new ATOM 1391 N ILE A 95 13.213 -5.576 -7.475 1.00 0.00 N ATOM 1392 CA ILE A 95 14.591 -5.171 -7.218 1.00 0.00 C ATOM 1393 C ILE A 95 15.301 -6.291 -6.482 1.00 0.00 C ATOM 1394 O ILE A 95 14.783 -6.821 -5.500 1.00 0.00 O ATOM 1395 CB ILE A 95 14.683 -3.906 -6.340 1.00 0.00 C ATOM 1396 CG1 ILE A 95 14.255 -2.607 -7.035 1.00 0.00 C ATOM 1397 CG2 ILE A 95 16.094 -3.663 -5.764 1.00 0.00 C ATOM 1398 CD1 ILE A 95 15.036 -2.201 -8.289 1.00 0.00 C ATOM 0 H ILE A 95 12.688 -5.818 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 95 15.049 -4.956 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 95 13.975 -4.132 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.203 -2.698 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 95 14.329 -1.795 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 95 16.088 -2.758 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.386 -4.512 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.806 -3.547 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 95 14.634 -1.267 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 95 16.087 -2.065 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.943 -2.982 -9.044 1.00 0.00 H new ATOM 1410 N PHE A 96 16.513 -6.598 -6.927 1.00 0.00 N ATOM 1411 CA PHE A 96 17.417 -7.427 -6.167 1.00 0.00 C ATOM 1412 C PHE A 96 18.762 -6.739 -6.324 1.00 0.00 C ATOM 1413 O PHE A 96 19.318 -6.672 -7.422 1.00 0.00 O ATOM 1414 CB PHE A 96 17.475 -8.915 -6.528 1.00 0.00 C ATOM 1415 CG PHE A 96 18.655 -9.559 -5.816 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.842 -9.312 -4.441 1.00 0.00 C ATOM 1417 CD2 PHE A 96 19.657 -10.244 -6.528 1.00 0.00 C ATOM 1418 CE1 PHE A 96 20.006 -9.725 -3.786 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.813 -10.696 -5.862 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.993 -10.433 -4.492 1.00 0.00 C ATOM 0 H PHE A 96 16.888 -6.278 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 96 17.064 -7.494 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 96 16.547 -9.408 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 96 17.576 -9.036 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 96 18.074 -8.795 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.540 -10.423 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.146 -9.500 -2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.565 -11.248 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.884 -10.773 -3.986 1.00 0.00 H new ATOM 1430 N GLU A 97 19.236 -6.191 -5.214 1.00 0.00 N ATOM 1431 CA GLU A 97 20.509 -5.519 -5.098 1.00 0.00 C ATOM 1432 C GLU A 97 21.141 -5.975 -3.783 1.00 0.00 C ATOM 1433 O GLU A 97 20.482 -6.535 -2.898 1.00 0.00 O ATOM 1434 CB GLU A 97 20.292 -3.995 -5.119 1.00 0.00 C ATOM 1435 CG GLU A 97 20.064 -3.430 -6.527 1.00 0.00 C ATOM 1436 CD GLU A 97 19.797 -1.912 -6.509 1.00 0.00 C ATOM 1437 OE1 GLU A 97 20.615 -1.148 -5.946 1.00 0.00 O ATOM 1438 OE2 GLU A 97 18.788 -1.466 -7.107 1.00 0.00 O ATOM 0 H GLU A 97 18.717 -6.207 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 97 21.170 -5.765 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.434 -3.749 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.159 -3.506 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.938 -3.636 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.219 -3.940 -6.989 1.00 0.00 H new ATOM 1445 N ASP A 98 22.432 -5.691 -3.656 1.00 0.00 N ATOM 1446 CA ASP A 98 23.197 -5.867 -2.430 1.00 0.00 C ATOM 1447 C ASP A 98 24.017 -4.603 -2.196 1.00 0.00 C ATOM 1448 O ASP A 98 24.980 -4.328 -2.920 1.00 0.00 O ATOM 1449 CB ASP A 98 24.075 -7.122 -2.423 1.00 0.00 C ATOM 1450 CG ASP A 98 24.663 -7.346 -1.020 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.644 -6.669 -0.638 1.00 0.00 O ATOM 1452 OD2 ASP A 98 24.157 -8.225 -0.288 1.00 0.00 O ATOM 0 H ASP A 98 22.990 -5.322 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 98 22.496 -6.023 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 98 23.486 -7.989 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 98 24.880 -7.017 -3.151 1.00 0.00 H new ATOM 1457 N TRP A 99 23.584 -3.784 -1.240 1.00 0.00 N ATOM 1458 CA TRP A 99 24.220 -2.535 -0.856 1.00 0.00 C ATOM 1459 C TRP A 99 25.414 -2.852 0.043 1.00 0.00 C ATOM 1460 O TRP A 99 25.404 -2.631 1.250 1.00 0.00 O ATOM 1461 CB TRP A 99 23.182 -1.550 -0.296 1.00 0.00 C ATOM 1462 CG TRP A 99 22.230 -0.996 -1.313 1.00 0.00 C ATOM 1463 CD1 TRP A 99 22.211 -1.240 -2.647 1.00 0.00 C ATOM 1464 CD2 TRP A 99 21.062 -0.170 -1.059 1.00 0.00 C ATOM 1465 NE1 TRP A 99 21.089 -0.674 -3.209 1.00 0.00 N ATOM 1466 CE2 TRP A 99 20.296 -0.084 -2.258 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.538 0.442 0.097 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 19.016 0.481 -2.280 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.256 1.018 0.082 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.484 0.996 -1.091 1.00 0.00 C ATOM 0 H TRP A 99 22.747 -3.984 -0.693 1.00 0.00 H new ATOM 0 HA TRP A 99 24.633 -2.004 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.608 -2.052 0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.707 -0.721 0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.963 -1.795 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.875 -0.691 -4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.126 0.469 1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 18.448 0.519 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.863 1.479 0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.474 1.378 -1.076 1.00 0.00 H new ATOM 1481 N GLN A 100 26.444 -3.376 -0.613 1.00 0.00 N ATOM 1482 CA GLN A 100 27.827 -3.648 -0.223 1.00 0.00 C ATOM 1483 C GLN A 100 28.603 -2.461 0.402 1.00 0.00 C ATOM 1484 O GLN A 100 29.793 -2.275 0.128 1.00 0.00 O ATOM 1485 CB GLN A 100 28.529 -4.149 -1.493 1.00 0.00 C ATOM 1486 CG GLN A 100 28.524 -3.147 -2.675 1.00 0.00 C ATOM 1487 CD GLN A 100 28.531 -3.833 -4.041 1.00 0.00 C ATOM 1488 OE1 GLN A 100 29.535 -3.827 -4.751 1.00 0.00 O ATOM 1489 NE2 GLN A 100 27.408 -4.411 -4.453 1.00 0.00 N ATOM 0 H GLN A 100 26.305 -3.664 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 100 27.813 -4.380 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.562 -4.395 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.050 -5.073 -1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.643 -2.509 -2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.396 -2.497 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 100 26.583 -4.408 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 100 27.371 -4.858 -5.369 1.00 0.00 H new ATOM 1498 N LEU A 101 27.930 -1.594 1.157 1.00 0.00 N ATOM 1499 CA LEU A 101 28.501 -0.376 1.720 1.00 0.00 C ATOM 1500 C LEU A 101 29.458 -0.724 2.881 1.00 0.00 C ATOM 1501 O LEU A 101 29.723 -1.900 3.152 1.00 0.00 O ATOM 1502 CB LEU A 101 27.353 0.576 2.171 1.00 0.00 C ATOM 1503 CG LEU A 101 26.761 1.519 1.102 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.717 2.666 0.771 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.390 0.814 -0.205 1.00 0.00 C ATOM 0 H LEU A 101 26.948 -1.724 1.399 1.00 0.00 H new ATOM 0 HA LEU A 101 29.089 0.143 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.543 -0.035 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.724 1.188 2.993 1.00 0.00 H new ATOM 0 HG LEU A 101 25.846 1.903 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.266 3.309 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.913 3.248 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.654 2.260 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.981 1.541 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.280 0.354 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.645 0.044 -0.004 1.00 0.00 H new ATOM 1517 N GLU A 102 29.969 0.316 3.552 1.00 0.00 N ATOM 1518 CA GLU A 102 30.828 0.283 4.730 1.00 0.00 C ATOM 1519 C GLU A 102 30.392 -0.757 5.766 1.00 0.00 C ATOM 1520 O GLU A 102 29.255 -1.220 5.811 1.00 0.00 O ATOM 1521 CB GLU A 102 30.921 1.684 5.371 1.00 0.00 C ATOM 1522 CG GLU A 102 31.692 2.725 4.556 1.00 0.00 C ATOM 1523 CD GLU A 102 30.828 3.408 3.479 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.632 2.811 2.396 1.00 0.00 O ATOM 1525 OE2 GLU A 102 30.346 4.543 3.710 1.00 0.00 O ATOM 0 H GLU A 102 29.774 1.273 3.258 1.00 0.00 H new ATOM 0 HA GLU A 102 31.816 -0.022 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.911 2.056 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.394 1.588 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.090 3.484 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.546 2.244 4.078 1.00 0.00 H new ATOM 1532 N ASP A 103 31.295 -1.055 6.689 1.00 0.00 N ATOM 1533 CA ASP A 103 31.220 -2.174 7.630 1.00 0.00 C ATOM 1534 C ASP A 103 31.386 -1.734 9.093 1.00 0.00 C ATOM 1535 O ASP A 103 32.374 -2.084 9.739 1.00 0.00 O ATOM 1536 CB ASP A 103 32.247 -3.216 7.137 1.00 0.00 C ATOM 1537 CG ASP A 103 31.991 -4.617 7.678 1.00 0.00 C ATOM 1538 OD1 ASP A 103 30.821 -5.062 7.625 1.00 0.00 O ATOM 1539 OD2 ASP A 103 32.944 -5.320 8.083 1.00 0.00 O ATOM 0 H ASP A 103 32.142 -0.500 6.812 1.00 0.00 H new ATOM 0 HA ASP A 103 30.228 -2.626 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.229 -3.246 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.247 -2.898 7.431 1.00 0.00 H new ATOM 1544 N PRO A 104 30.461 -0.904 9.626 1.00 0.00 N ATOM 1545 CA PRO A 104 30.602 -0.241 10.922 1.00 0.00 C ATOM 1546 C PRO A 104 30.261 -1.175 12.106 1.00 0.00 C ATOM 1547 O PRO A 104 29.234 -1.012 12.763 1.00 0.00 O ATOM 1548 CB PRO A 104 29.683 0.990 10.830 1.00 0.00 C ATOM 1549 CG PRO A 104 28.520 0.454 9.998 1.00 0.00 C ATOM 1550 CD PRO A 104 29.230 -0.445 8.985 1.00 0.00 C ATOM 0 HA PRO A 104 31.633 0.049 11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.359 1.332 11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.177 1.833 10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.808 -0.103 10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.965 1.256 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.599 -1.290 8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.451 0.103 8.069 1.00 0.00 H new ATOM 1558 N ASP A 105 31.089 -2.190 12.371 1.00 0.00 N ATOM 1559 CA ASP A 105 30.845 -3.144 13.468 1.00 0.00 C ATOM 1560 C ASP A 105 30.846 -2.467 14.841 1.00 0.00 C ATOM 1561 O ASP A 105 30.019 -2.774 15.699 1.00 0.00 O ATOM 1562 CB ASP A 105 31.888 -4.264 13.462 1.00 0.00 C ATOM 1563 CG ASP A 105 31.441 -5.388 14.408 1.00 0.00 C ATOM 1564 OD1 ASP A 105 30.493 -6.120 14.028 1.00 0.00 O ATOM 1565 OD2 ASP A 105 32.051 -5.563 15.489 1.00 0.00 O ATOM 0 H ASP A 105 31.940 -2.376 11.840 1.00 0.00 H new ATOM 0 HA ASP A 105 29.854 -3.562 13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.013 -4.653 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 105 32.857 -3.875 13.775 1.00 0.00 H new ATOM 1570 N GLY A 106 31.750 -1.505 15.009 1.00 0.00 N ATOM 1571 CA GLY A 106 31.979 -0.767 16.255 1.00 0.00 C ATOM 1572 C GLY A 106 32.763 0.516 15.988 1.00 0.00 C ATOM 1573 O GLY A 106 33.744 0.812 16.673 1.00 0.00 O ATOM 0 H GLY A 106 32.368 -1.205 14.255 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.024 -0.525 16.720 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.527 -1.394 16.959 1.00 0.00 H new ATOM 1577 N GLN A 107 32.389 1.215 14.911 1.00 0.00 N ATOM 1578 CA GLN A 107 33.121 2.344 14.353 1.00 0.00 C ATOM 1579 C GLN A 107 33.071 3.630 15.173 1.00 0.00 C ATOM 1580 O GLN A 107 32.302 3.778 16.126 1.00 0.00 O ATOM 1581 CB GLN A 107 32.538 2.635 12.958 1.00 0.00 C ATOM 1582 CG GLN A 107 33.334 1.909 11.874 1.00 0.00 C ATOM 1583 CD GLN A 107 34.700 2.519 11.553 1.00 0.00 C ATOM 1584 OE1 GLN A 107 35.238 3.344 12.286 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.261 2.135 10.418 1.00 0.00 N ATOM 0 H GLN A 107 31.539 0.999 14.390 1.00 0.00 H new ATOM 0 HA GLN A 107 34.170 2.049 14.336 1.00 0.00 H new ATOM 0 HB2 GLN A 107 31.495 2.320 12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 107 32.553 3.708 12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 107 33.479 0.874 12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 107 32.739 1.888 10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.795 1.448 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.160 2.526 10.135 1.00 0.00 H new ATOM 1594 N SER A 108 33.896 4.574 14.717 1.00 0.00 N ATOM 1595 CA SER A 108 33.891 5.963 15.148 1.00 0.00 C ATOM 1596 C SER A 108 32.609 6.621 14.627 1.00 0.00 C ATOM 1597 O SER A 108 32.079 6.216 13.585 1.00 0.00 O ATOM 1598 CB SER A 108 35.132 6.686 14.594 1.00 0.00 C ATOM 1599 OG SER A 108 36.322 6.024 15.007 1.00 0.00 O ATOM 0 H SER A 108 34.609 4.380 14.013 1.00 0.00 H new ATOM 0 HA SER A 108 33.921 6.024 16.236 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.086 6.717 13.505 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.144 7.719 14.943 1.00 0.00 H new ATOM 0 HG SER A 108 37.101 6.495 14.645 1.00 0.00 H new ATOM 1605 N LEU A 109 32.132 7.675 15.300 1.00 0.00 N ATOM 1606 CA LEU A 109 30.881 8.345 14.933 1.00 0.00 C ATOM 1607 C LEU A 109 30.934 8.882 13.507 1.00 0.00 C ATOM 1608 O LEU A 109 29.924 8.866 12.817 1.00 0.00 O ATOM 1609 CB LEU A 109 30.520 9.483 15.907 1.00 0.00 C ATOM 1610 CG LEU A 109 30.239 9.075 17.370 1.00 0.00 C ATOM 1611 CD1 LEU A 109 29.611 10.259 18.120 1.00 0.00 C ATOM 1612 CD2 LEU A 109 29.329 7.844 17.501 1.00 0.00 C ATOM 0 H LEU A 109 32.599 8.084 16.109 1.00 0.00 H new ATOM 0 HA LEU A 109 30.100 7.588 14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 109 31.336 10.205 15.905 1.00 0.00 H new ATOM 0 HB3 LEU A 109 29.639 9.996 15.521 1.00 0.00 H new ATOM 0 HG LEU A 109 31.199 8.801 17.808 1.00 0.00 H new ATOM 0 HD11 LEU A 109 29.412 9.972 19.153 1.00 0.00 H new ATOM 0 HD12 LEU A 109 30.298 11.105 18.105 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.676 10.542 17.636 1.00 0.00 H new ATOM 0 HD21 LEU A 109 29.175 7.616 18.556 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.368 8.050 17.031 1.00 0.00 H new ATOM 0 HD23 LEU A 109 29.798 6.991 17.010 1.00 0.00 H new ATOM 1624 N GLU A 110 32.103 9.303 13.027 1.00 0.00 N ATOM 1625 CA GLU A 110 32.237 9.859 11.678 1.00 0.00 C ATOM 1626 C GLU A 110 31.883 8.826 10.627 1.00 0.00 C ATOM 1627 O GLU A 110 31.220 9.151 9.642 1.00 0.00 O ATOM 1628 CB GLU A 110 33.665 10.355 11.430 1.00 0.00 C ATOM 1629 CG GLU A 110 33.991 11.472 12.411 1.00 0.00 C ATOM 1630 CD GLU A 110 35.329 12.159 12.077 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.395 11.678 12.533 1.00 0.00 O ATOM 1632 OE2 GLU A 110 35.325 13.193 11.362 1.00 0.00 O ATOM 0 H GLU A 110 32.976 9.270 13.554 1.00 0.00 H new ATOM 0 HA GLU A 110 31.546 10.698 11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.372 9.534 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 110 33.764 10.715 10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.190 12.211 12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.034 11.066 13.422 1.00 0.00 H new ATOM 1639 N VAL A 111 32.288 7.571 10.829 1.00 0.00 N ATOM 1640 CA VAL A 111 31.928 6.529 9.895 1.00 0.00 C ATOM 1641 C VAL A 111 30.451 6.227 10.056 1.00 0.00 C ATOM 1642 O VAL A 111 29.793 6.178 9.030 1.00 0.00 O ATOM 1643 CB VAL A 111 32.862 5.314 10.010 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.467 4.184 9.046 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.312 5.731 9.714 1.00 0.00 C ATOM 0 H VAL A 111 32.855 7.265 11.620 1.00 0.00 H new ATOM 0 HA VAL A 111 32.074 6.863 8.868 1.00 0.00 H new ATOM 0 HB VAL A 111 32.773 4.941 11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.156 3.348 9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.453 3.853 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.512 4.549 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.965 4.862 9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.375 6.136 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.625 6.491 10.430 1.00 0.00 H new ATOM 1655 N PHE A 112 29.890 6.147 11.269 1.00 0.00 N ATOM 1656 CA PHE A 112 28.433 6.020 11.423 1.00 0.00 C ATOM 1657 C PHE A 112 27.695 7.088 10.602 1.00 0.00 C ATOM 1658 O PHE A 112 26.823 6.740 9.803 1.00 0.00 O ATOM 1659 CB PHE A 112 27.996 6.104 12.887 1.00 0.00 C ATOM 1660 CG PHE A 112 27.970 4.808 13.669 1.00 0.00 C ATOM 1661 CD1 PHE A 112 29.141 4.299 14.261 1.00 0.00 C ATOM 1662 CD2 PHE A 112 26.742 4.151 13.878 1.00 0.00 C ATOM 1663 CE1 PHE A 112 29.082 3.141 15.056 1.00 0.00 C ATOM 1664 CE2 PHE A 112 26.681 3.011 14.694 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.854 2.496 15.273 1.00 0.00 C ATOM 0 H PHE A 112 30.411 6.167 12.145 1.00 0.00 H new ATOM 0 HA PHE A 112 28.168 5.032 11.048 1.00 0.00 H new ATOM 0 HB2 PHE A 112 28.662 6.797 13.401 1.00 0.00 H new ATOM 0 HB3 PHE A 112 26.997 6.539 12.919 1.00 0.00 H new ATOM 0 HD1 PHE A 112 30.086 4.798 14.104 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.844 4.526 13.409 1.00 0.00 H new ATOM 0 HE1 PHE A 112 29.984 2.747 15.501 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.732 2.529 14.877 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.811 1.606 15.883 1.00 0.00 H new ATOM 1675 N ARG A 113 28.091 8.364 10.714 1.00 0.00 N ATOM 1676 CA ARG A 113 27.498 9.460 9.930 1.00 0.00 C ATOM 1677 C ARG A 113 27.651 9.201 8.441 1.00 0.00 C ATOM 1678 O ARG A 113 26.709 9.400 7.679 1.00 0.00 O ATOM 1679 CB ARG A 113 28.179 10.811 10.230 1.00 0.00 C ATOM 1680 CG ARG A 113 27.933 11.345 11.647 1.00 0.00 C ATOM 1681 CD ARG A 113 28.528 12.744 11.821 1.00 0.00 C ATOM 1682 NE ARG A 113 28.162 13.311 13.133 1.00 0.00 N ATOM 1683 CZ ARG A 113 28.884 14.172 13.862 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.055 14.640 13.426 1.00 0.00 N ATOM 1685 NH2 ARG A 113 28.420 14.563 15.039 1.00 0.00 N ATOM 0 H ARG A 113 28.830 8.666 11.349 1.00 0.00 H new ATOM 0 HA ARG A 113 26.446 9.503 10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.253 10.704 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 113 27.826 11.550 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 113 26.862 11.375 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.374 10.666 12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 113 29.613 12.696 11.731 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.171 13.397 11.025 1.00 0.00 H new ATOM 0 HE ARG A 113 27.267 13.017 13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.418 14.343 12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.587 15.295 13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.525 14.209 15.378 1.00 0.00 H new ATOM 0 HH22 ARG A 113 28.957 15.218 15.607 1.00 0.00 H new ATOM 1699 N THR A 114 28.834 8.767 8.028 1.00 0.00 N ATOM 1700 CA THR A 114 29.123 8.549 6.627 1.00 0.00 C ATOM 1701 C THR A 114 28.265 7.397 6.104 1.00 0.00 C ATOM 1702 O THR A 114 27.679 7.538 5.033 1.00 0.00 O ATOM 1703 CB THR A 114 30.624 8.281 6.438 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.391 9.365 6.934 1.00 0.00 O ATOM 1705 CG2 THR A 114 30.989 8.078 4.964 1.00 0.00 C ATOM 0 H THR A 114 29.612 8.559 8.654 1.00 0.00 H new ATOM 0 HA THR A 114 28.875 9.440 6.050 1.00 0.00 H new ATOM 0 HB THR A 114 30.847 7.369 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.336 9.384 7.912 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.059 7.891 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.438 7.225 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.729 8.973 4.398 1.00 0.00 H new ATOM 1713 N VAL A 115 28.152 6.289 6.843 1.00 0.00 N ATOM 1714 CA VAL A 115 27.489 5.097 6.317 1.00 0.00 C ATOM 1715 C VAL A 115 26.019 5.439 6.155 1.00 0.00 C ATOM 1716 O VAL A 115 25.460 5.281 5.080 1.00 0.00 O ATOM 1717 CB VAL A 115 27.673 3.840 7.202 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.151 2.602 6.448 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.117 3.588 7.660 1.00 0.00 C ATOM 0 H VAL A 115 28.507 6.195 7.795 1.00 0.00 H new ATOM 0 HA VAL A 115 27.947 4.833 5.364 1.00 0.00 H new ATOM 0 HB VAL A 115 27.099 4.025 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.280 1.716 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.093 2.734 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.710 2.479 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.152 2.688 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.758 3.457 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.468 4.439 8.243 1.00 0.00 H new ATOM 1729 N ARG A 116 25.432 6.009 7.208 1.00 0.00 N ATOM 1730 CA ARG A 116 24.105 6.601 7.212 1.00 0.00 C ATOM 1731 C ARG A 116 23.880 7.463 5.974 1.00 0.00 C ATOM 1732 O ARG A 116 22.945 7.197 5.228 1.00 0.00 O ATOM 1733 CB ARG A 116 24.025 7.386 8.526 1.00 0.00 C ATOM 1734 CG ARG A 116 22.803 8.278 8.734 1.00 0.00 C ATOM 1735 CD ARG A 116 23.099 9.194 9.918 1.00 0.00 C ATOM 1736 NE ARG A 116 23.724 10.472 9.498 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.253 11.397 10.312 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.172 11.260 11.627 1.00 0.00 N ATOM 1739 NH2 ARG A 116 24.887 12.448 9.805 1.00 0.00 N ATOM 0 H ARG A 116 25.892 6.070 8.116 1.00 0.00 H new ATOM 0 HA ARG A 116 23.311 5.856 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.066 6.672 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 116 24.915 8.010 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 116 22.599 8.864 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 116 21.917 7.674 8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.173 9.404 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 116 23.761 8.680 10.615 1.00 0.00 H new ATOM 0 HE ARG A 116 23.754 10.665 8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.705 10.446 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.577 11.968 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 116 24.972 12.553 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.288 13.150 10.427 1.00 0.00 H new ATOM 1753 N GLY A 117 24.724 8.462 5.714 1.00 0.00 N ATOM 1754 CA GLY A 117 24.487 9.368 4.595 1.00 0.00 C ATOM 1755 C GLY A 117 24.571 8.638 3.261 1.00 0.00 C ATOM 1756 O GLY A 117 23.697 8.798 2.415 1.00 0.00 O ATOM 0 H GLY A 117 25.565 8.661 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.504 9.827 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.220 10.175 4.617 1.00 0.00 H new ATOM 1760 N GLN A 118 25.555 7.758 3.087 1.00 0.00 N ATOM 1761 CA GLN A 118 25.666 6.982 1.864 1.00 0.00 C ATOM 1762 C GLN A 118 24.453 6.083 1.664 1.00 0.00 C ATOM 1763 O GLN A 118 23.943 5.978 0.549 1.00 0.00 O ATOM 1764 CB GLN A 118 26.971 6.183 1.863 1.00 0.00 C ATOM 1765 CG GLN A 118 28.174 7.128 1.743 1.00 0.00 C ATOM 1766 CD GLN A 118 29.193 6.584 0.742 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.089 6.842 -0.458 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.157 5.792 1.184 1.00 0.00 N ATOM 0 H GLN A 118 26.282 7.568 3.777 1.00 0.00 H new ATOM 0 HA GLN A 118 25.690 7.670 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.049 5.599 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.972 5.475 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.837 8.115 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.645 7.250 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.232 5.587 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.825 5.387 0.528 1.00 0.00 H new ATOM 1777 N VAL A 119 23.953 5.490 2.743 1.00 0.00 N ATOM 1778 CA VAL A 119 22.751 4.676 2.728 1.00 0.00 C ATOM 1779 C VAL A 119 21.582 5.561 2.317 1.00 0.00 C ATOM 1780 O VAL A 119 20.790 5.117 1.499 1.00 0.00 O ATOM 1781 CB VAL A 119 22.541 4.015 4.106 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.142 3.429 4.288 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.535 2.856 4.308 1.00 0.00 C ATOM 0 H VAL A 119 24.381 5.565 3.666 1.00 0.00 H new ATOM 0 HA VAL A 119 22.837 3.864 2.006 1.00 0.00 H new ATOM 0 HB VAL A 119 22.693 4.814 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.062 2.980 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.400 4.221 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.965 2.667 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.371 2.402 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.384 2.107 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.555 3.237 4.251 1.00 0.00 H new ATOM 1793 N LYS A 120 21.474 6.804 2.804 1.00 0.00 N ATOM 1794 CA LYS A 120 20.338 7.668 2.479 1.00 0.00 C ATOM 1795 C LYS A 120 20.218 7.871 0.974 1.00 0.00 C ATOM 1796 O LYS A 120 19.112 7.873 0.443 1.00 0.00 O ATOM 1797 CB LYS A 120 20.376 8.975 3.309 1.00 0.00 C ATOM 1798 CG LYS A 120 21.083 10.224 2.729 1.00 0.00 C ATOM 1799 CD LYS A 120 20.143 11.420 2.490 1.00 0.00 C ATOM 1800 CE LYS A 120 19.116 11.171 1.370 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.273 12.369 1.105 1.00 0.00 N ATOM 0 H LYS A 120 22.161 7.232 3.425 1.00 0.00 H new ATOM 0 HA LYS A 120 19.413 7.172 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.345 9.254 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.851 8.743 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.877 10.529 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.559 9.955 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.614 11.648 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.739 12.298 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.639 10.887 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.477 10.332 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.717 12.217 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.630 12.525 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.883 13.203 0.983 1.00 0.00 H new ATOM 1815 N GLU A 121 21.347 8.002 0.279 1.00 0.00 N ATOM 1816 CA GLU A 121 21.373 8.161 -1.166 1.00 0.00 C ATOM 1817 C GLU A 121 20.953 6.860 -1.848 1.00 0.00 C ATOM 1818 O GLU A 121 20.168 6.909 -2.792 1.00 0.00 O ATOM 1819 CB GLU A 121 22.784 8.565 -1.637 1.00 0.00 C ATOM 1820 CG GLU A 121 23.265 9.911 -1.078 1.00 0.00 C ATOM 1821 CD GLU A 121 24.666 10.262 -1.615 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.653 9.586 -1.237 1.00 0.00 O ATOM 1823 OE2 GLU A 121 24.789 11.222 -2.414 1.00 0.00 O ATOM 0 H GLU A 121 22.272 8.000 0.709 1.00 0.00 H new ATOM 0 HA GLU A 121 20.671 8.949 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.490 7.788 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.794 8.611 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.560 10.696 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.289 9.869 0.011 1.00 0.00 H new ATOM 1830 N ARG A 122 21.441 5.696 -1.400 1.00 0.00 N ATOM 1831 CA ARG A 122 21.059 4.423 -2.017 1.00 0.00 C ATOM 1832 C ARG A 122 19.579 4.141 -1.779 1.00 0.00 C ATOM 1833 O ARG A 122 18.876 3.785 -2.720 1.00 0.00 O ATOM 1834 CB ARG A 122 21.929 3.264 -1.507 1.00 0.00 C ATOM 1835 CG ARG A 122 23.279 3.124 -2.227 1.00 0.00 C ATOM 1836 CD ARG A 122 24.321 4.168 -1.820 1.00 0.00 C ATOM 1837 NE ARG A 122 25.588 4.015 -2.555 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.652 4.825 -2.435 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.593 5.906 -1.664 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.778 4.540 -3.077 1.00 0.00 N ATOM 0 H ARG A 122 22.094 5.611 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 122 21.228 4.506 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 122 22.111 3.403 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.374 2.333 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.681 2.130 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.113 3.193 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.920 5.166 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.513 4.087 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 122 25.663 3.233 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.735 6.125 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 122 27.406 6.516 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.835 3.706 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 122 28.587 5.155 -2.986 1.00 0.00 H new ATOM 1854 N VAL A 123 19.086 4.382 -0.564 1.00 0.00 N ATOM 1855 CA VAL A 123 17.673 4.311 -0.236 1.00 0.00 C ATOM 1856 C VAL A 123 16.894 5.175 -1.215 1.00 0.00 C ATOM 1857 O VAL A 123 16.002 4.687 -1.900 1.00 0.00 O ATOM 1858 CB VAL A 123 17.468 4.708 1.233 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.001 4.923 1.575 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.003 3.660 2.219 1.00 0.00 C ATOM 0 H VAL A 123 19.673 4.636 0.230 1.00 0.00 H new ATOM 0 HA VAL A 123 17.293 3.294 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 123 18.028 5.637 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.909 5.202 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.595 5.719 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.447 4.002 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.828 3.999 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.488 2.713 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.073 3.523 2.060 1.00 0.00 H new ATOM 1870 N GLU A 124 17.262 6.442 -1.336 1.00 0.00 N ATOM 1871 CA GLU A 124 16.522 7.378 -2.153 1.00 0.00 C ATOM 1872 C GLU A 124 16.583 6.993 -3.634 1.00 0.00 C ATOM 1873 O GLU A 124 15.605 7.175 -4.355 1.00 0.00 O ATOM 1874 CB GLU A 124 17.057 8.762 -1.836 1.00 0.00 C ATOM 1875 CG GLU A 124 16.248 9.846 -2.531 1.00 0.00 C ATOM 1876 CD GLU A 124 16.742 11.254 -2.149 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.596 11.652 -0.970 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.285 11.968 -3.026 1.00 0.00 O ATOM 0 H GLU A 124 18.077 6.843 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 124 15.456 7.362 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.034 8.924 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.100 8.830 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.317 9.716 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.196 9.744 -2.264 1.00 0.00 H new ATOM 1885 N ASN A 125 17.689 6.400 -4.086 1.00 0.00 N ATOM 1886 CA ASN A 125 17.792 5.843 -5.428 1.00 0.00 C ATOM 1887 C ASN A 125 16.795 4.713 -5.632 1.00 0.00 C ATOM 1888 O ASN A 125 16.084 4.701 -6.630 1.00 0.00 O ATOM 1889 CB ASN A 125 19.201 5.323 -5.727 1.00 0.00 C ATOM 1890 CG ASN A 125 20.071 6.395 -6.365 1.00 0.00 C ATOM 1891 OD1 ASN A 125 20.242 6.431 -7.580 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.613 7.302 -5.569 1.00 0.00 N ATOM 0 H ASN A 125 18.537 6.294 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 125 17.567 6.657 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.666 4.979 -4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.138 4.462 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 125 21.185 8.049 -5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.459 7.254 -4.562 1.00 0.00 H new ATOM 1899 N LEU A 126 16.713 3.769 -4.692 1.00 0.00 N ATOM 1900 CA LEU A 126 15.737 2.681 -4.754 1.00 0.00 C ATOM 1901 C LEU A 126 14.337 3.252 -4.850 1.00 0.00 C ATOM 1902 O LEU A 126 13.582 2.860 -5.731 1.00 0.00 O ATOM 1903 CB LEU A 126 15.943 1.720 -3.567 1.00 0.00 C ATOM 1904 CG LEU A 126 14.708 1.113 -2.868 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.948 -0.357 -2.557 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.381 1.787 -1.531 1.00 0.00 C ATOM 0 H LEU A 126 17.318 3.738 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 126 15.885 2.084 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.561 0.893 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.520 2.252 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 126 13.880 1.261 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.069 -0.773 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 126 15.135 -0.899 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.812 -0.453 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.503 1.315 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.228 1.681 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.179 2.845 -1.697 1.00 0.00 H new ATOM 1918 N ILE A 127 14.027 4.218 -4.000 1.00 0.00 N ATOM 1919 CA ILE A 127 12.748 4.914 -3.993 1.00 0.00 C ATOM 1920 C ILE A 127 12.506 5.563 -5.359 1.00 0.00 C ATOM 1921 O ILE A 127 11.409 5.445 -5.893 1.00 0.00 O ATOM 1922 CB ILE A 127 12.811 5.913 -2.823 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.362 5.156 -1.556 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.024 7.214 -2.993 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.249 5.540 -0.380 1.00 0.00 C ATOM 0 H ILE A 127 14.670 4.548 -3.280 1.00 0.00 H new ATOM 0 HA ILE A 127 11.897 4.250 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 127 13.841 6.265 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.322 5.392 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.415 4.081 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.147 7.833 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.396 7.753 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.967 6.985 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.926 5.001 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.284 5.281 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.174 6.613 -0.203 1.00 0.00 H new ATOM 1937 N ALA A 128 13.516 6.191 -5.964 1.00 0.00 N ATOM 1938 CA ALA A 128 13.387 6.784 -7.283 1.00 0.00 C ATOM 1939 C ALA A 128 13.043 5.738 -8.351 1.00 0.00 C ATOM 1940 O ALA A 128 12.320 6.057 -9.301 1.00 0.00 O ATOM 1941 CB ALA A 128 14.646 7.584 -7.646 1.00 0.00 C ATOM 0 H ALA A 128 14.441 6.299 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 128 12.549 7.481 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.527 8.019 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.794 8.380 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.512 6.922 -7.642 1.00 0.00 H new ATOM 1947 N LYS A 129 13.513 4.492 -8.201 1.00 0.00 N ATOM 1948 CA LYS A 129 13.118 3.405 -9.082 1.00 0.00 C ATOM 1949 C LYS A 129 11.680 2.964 -8.821 1.00 0.00 C ATOM 1950 O LYS A 129 10.950 2.740 -9.789 1.00 0.00 O ATOM 1951 CB LYS A 129 14.056 2.199 -8.932 1.00 0.00 C ATOM 1952 CG LYS A 129 15.525 2.530 -9.224 1.00 0.00 C ATOM 1953 CD LYS A 129 16.400 1.337 -8.843 1.00 0.00 C ATOM 1954 CE LYS A 129 17.880 1.709 -9.015 1.00 0.00 C ATOM 1955 NZ LYS A 129 18.779 0.523 -9.011 1.00 0.00 N ATOM 0 H LYS A 129 14.171 4.220 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 129 13.187 3.786 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.974 1.808 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.729 1.407 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.653 2.766 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.829 3.412 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.205 1.045 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.155 0.479 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 129 18.007 2.252 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 129 18.175 2.385 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 19.768 0.837 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 18.645 -0.011 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 18.553 -0.087 -9.822 1.00 0.00 H new ATOM 1969 N ILE A 130 11.259 2.853 -7.552 1.00 0.00 N ATOM 1970 CA ILE A 130 10.000 2.209 -7.221 1.00 0.00 C ATOM 1971 C ILE A 130 8.805 3.076 -6.844 1.00 0.00 C ATOM 1972 O ILE A 130 7.707 2.748 -7.293 1.00 0.00 O ATOM 1973 CB ILE A 130 10.240 1.116 -6.169 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.700 1.535 -4.761 1.00 0.00 C ATOM 1975 CG2 ILE A 130 11.077 -0.005 -6.808 1.00 0.00 C ATOM 1976 CD1 ILE A 130 11.001 0.321 -3.873 1.00 0.00 C ATOM 0 H ILE A 130 11.778 3.203 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 130 9.675 1.800 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 130 9.249 0.748 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.592 2.157 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.927 2.145 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.256 -0.790 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 130 10.538 -0.421 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.031 0.400 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.322 0.661 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 130 10.102 -0.287 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.793 -0.275 -4.327 1.00 0.00 H new ATOM 1988 N SER A 131 8.967 4.092 -6.002 1.00 0.00 N ATOM 1989 CA SER A 131 7.867 4.840 -5.404 1.00 0.00 C ATOM 1990 C SER A 131 6.900 5.362 -6.466 1.00 0.00 C ATOM 1991 O SER A 131 7.292 6.211 -7.299 1.00 0.00 O ATOM 1992 CB SER A 131 8.415 5.944 -4.507 1.00 0.00 C ATOM 1993 OG SER A 131 9.065 5.307 -3.410 1.00 0.00 O ATOM 1994 OXT SER A 131 5.742 4.883 -6.461 1.00 0.00 O ATOM 0 H SER A 131 9.886 4.425 -5.710 1.00 0.00 H new ATOM 0 HA SER A 131 7.282 4.168 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.114 6.575 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.611 6.590 -4.156 1.00 0.00 H new ATOM 0 HG SER A 131 9.008 5.881 -2.618 1.00 0.00 H new