USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.57! C(o=-1.6!,f=-7.6!) USER MOD Set 2.1: A 78 SER OG : rot -110:sc= 1.51 USER MOD Set 2.2: A 80 CYS SG : rot 91:sc= 0.175 USER MOD Set 3.1: A 11 ASN : amide:sc= -0.126! C(o=-0.47!,f=-7.8!) USER MOD Set 3.2: A 13 CYS SG : rot -164:sc= -0.851 USER MOD Set 3.3: A 43 HIS : no HD1:sc= 0.0812! K(o=-0.47!,f=-7.8) USER MOD Set 3.4: A 45 THR OG1 : rot 114:sc= 0.422 USER MOD Set 4.1: A 34 SER OG : rot -91:sc= 2.16 USER MOD Set 4.2: A 61 THR OG1 : rot -171:sc= 1.07 USER MOD Set 5.1: A 8 CYS SG : rot 160:sc= 1.03 USER MOD Set 5.2: A 15 SER OG : rot 71:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00176) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.117 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.24) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 1.29 (180deg=1.15) USER MOD Single : A 5 MET CE :methyl 157:sc= -0.16 (180deg=-0.285) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 16 GLN : amide:sc= 0.589 K(o=0.59,f=-0.48) USER MOD Single : A 17 MET CE :methyl -178:sc= -2.15 (180deg=-2.17) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 35 CYS SG : rot -93:sc= 0.165 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 77:sc= 1.09 USER MOD Single : A 49 MET CE :methyl 160:sc= -0.562 (180deg=-1.59) USER MOD Single : A 50 MET CE :methyl -111:sc= -0.216 (180deg=-2.95!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.194 USER MOD Single : A 60 GLN : amide:sc= -0.727 K(o=-0.73,f=-2.5) USER MOD Single : A 62 SER OG : rot 3:sc= 1.44 USER MOD Single : A 67 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.57) USER MOD Single : A 69 ASN : amide:sc= 0.719 K(o=0.72,f=-0.0067) USER MOD Single : A 73 TYR OH : rot 72:sc= 0.465 USER MOD Single : A 82 CYS SG : rot 180:sc= 0.251 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.237 K(o=0.24,f=-5.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 118 GLN : amide:sc= 1.25 K(o=1.2,f=-2.1!) USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= 2.54 (180deg=2.32) USER MOD Single : A 125 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 84:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.094 -2.468 1.765 1.00 0.00 N ATOM 2 CA MET A 1 1.847 -1.513 0.887 1.00 0.00 C ATOM 3 C MET A 1 3.157 -2.175 0.402 1.00 0.00 C ATOM 4 O MET A 1 3.548 -3.186 0.980 1.00 0.00 O ATOM 5 CB MET A 1 2.057 -0.153 1.616 1.00 0.00 C ATOM 6 CG MET A 1 2.121 1.051 0.665 1.00 0.00 C ATOM 7 SD MET A 1 0.662 1.264 -0.403 1.00 0.00 S ATOM 8 CE MET A 1 1.103 2.796 -1.268 1.00 0.00 C ATOM 0 H1 MET A 1 0.174 -2.686 1.332 1.00 0.00 H new ATOM 0 H2 MET A 1 1.642 -3.345 1.874 1.00 0.00 H new ATOM 0 H3 MET A 1 0.943 -2.036 2.699 1.00 0.00 H new ATOM 0 HA MET A 1 1.267 -1.282 -0.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.244 -0.002 2.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.980 -0.199 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.255 1.956 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.004 0.950 0.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.299 3.073 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.253 3.594 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.022 2.643 -1.834 1.00 0.00 H new ATOM 18 N LYS A 2 3.839 -1.668 -0.649 1.00 0.00 N ATOM 19 CA LYS A 2 4.966 -2.390 -1.279 1.00 0.00 C ATOM 20 C LYS A 2 6.041 -2.677 -0.249 1.00 0.00 C ATOM 21 O LYS A 2 6.546 -1.726 0.339 1.00 0.00 O ATOM 22 CB LYS A 2 5.599 -1.658 -2.483 1.00 0.00 C ATOM 23 CG LYS A 2 4.604 -1.209 -3.558 1.00 0.00 C ATOM 24 CD LYS A 2 4.084 0.230 -3.332 1.00 0.00 C ATOM 25 CE LYS A 2 4.996 1.345 -3.888 1.00 0.00 C ATOM 26 NZ LYS A 2 4.623 1.704 -5.289 1.00 0.00 N ATOM 0 H LYS A 2 3.630 -0.766 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 2 4.539 -3.314 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.136 -0.783 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.337 -2.315 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.082 -1.268 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.759 -1.897 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.100 0.322 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.951 0.389 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.923 2.228 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.035 1.016 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.264 2.443 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.700 0.862 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.645 2.057 -5.308 1.00 0.00 H new ATOM 40 N LYS A 3 6.361 -3.936 0.021 1.00 0.00 N ATOM 41 CA LYS A 3 7.250 -4.258 1.131 1.00 0.00 C ATOM 42 C LYS A 3 8.675 -4.212 0.627 1.00 0.00 C ATOM 43 O LYS A 3 8.967 -4.750 -0.439 1.00 0.00 O ATOM 44 CB LYS A 3 6.913 -5.603 1.783 1.00 0.00 C ATOM 45 CG LYS A 3 5.410 -5.822 2.028 1.00 0.00 C ATOM 46 CD LYS A 3 5.063 -7.171 2.676 1.00 0.00 C ATOM 47 CE LYS A 3 5.859 -7.476 3.956 1.00 0.00 C ATOM 48 NZ LYS A 3 5.256 -8.590 4.733 1.00 0.00 N ATOM 0 H LYS A 3 6.024 -4.742 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 3 7.117 -3.518 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.288 -6.406 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.440 -5.676 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.037 -5.020 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.884 -5.744 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.999 -7.186 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.241 -7.966 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.885 -7.731 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.902 -6.582 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.968 -8.989 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.451 -8.232 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.927 -9.330 4.081 1.00 0.00 H new ATOM 62 N VAL A 4 9.551 -3.629 1.430 1.00 0.00 N ATOM 63 CA VAL A 4 10.979 -3.576 1.184 1.00 0.00 C ATOM 64 C VAL A 4 11.687 -4.312 2.311 1.00 0.00 C ATOM 65 O VAL A 4 11.174 -4.356 3.434 1.00 0.00 O ATOM 66 CB VAL A 4 11.490 -2.134 1.086 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.924 -2.138 0.531 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.604 -1.239 0.200 1.00 0.00 C ATOM 0 H VAL A 4 9.277 -3.166 2.297 1.00 0.00 H new ATOM 0 HA VAL A 4 11.189 -4.051 0.226 1.00 0.00 H new ATOM 0 HB VAL A 4 11.462 -1.716 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.290 -1.114 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.571 -2.709 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.930 -2.594 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.019 -0.231 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.570 -1.647 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.595 -1.205 0.611 1.00 0.00 H new ATOM 78 N MET A 5 12.880 -4.835 2.038 1.00 0.00 N ATOM 79 CA MET A 5 13.693 -5.511 3.029 1.00 0.00 C ATOM 80 C MET A 5 15.124 -5.056 2.836 1.00 0.00 C ATOM 81 O MET A 5 15.571 -4.976 1.690 1.00 0.00 O ATOM 82 CB MET A 5 13.588 -7.013 2.797 1.00 0.00 C ATOM 83 CG MET A 5 14.427 -7.842 3.774 1.00 0.00 C ATOM 84 SD MET A 5 14.140 -7.527 5.535 1.00 0.00 S ATOM 85 CE MET A 5 12.766 -8.673 5.826 1.00 0.00 C ATOM 0 H MET A 5 13.308 -4.798 1.113 1.00 0.00 H new ATOM 0 HA MET A 5 13.362 -5.281 4.042 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.544 -7.314 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.903 -7.238 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 5 14.238 -8.898 3.579 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.481 -7.662 3.560 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.721 -8.925 6.885 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.830 -8.203 5.524 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.920 -9.581 5.243 1.00 0.00 H new ATOM 95 N PHE A 6 15.836 -4.826 3.937 1.00 0.00 N ATOM 96 CA PHE A 6 17.225 -4.396 3.930 1.00 0.00 C ATOM 97 C PHE A 6 18.044 -5.466 4.677 1.00 0.00 C ATOM 98 O PHE A 6 17.821 -5.671 5.869 1.00 0.00 O ATOM 99 CB PHE A 6 17.335 -2.996 4.547 1.00 0.00 C ATOM 100 CG PHE A 6 16.571 -1.954 3.760 1.00 0.00 C ATOM 101 CD1 PHE A 6 17.168 -1.307 2.663 1.00 0.00 C ATOM 102 CD2 PHE A 6 15.223 -1.714 4.052 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.413 -0.420 1.878 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.458 -0.877 3.234 1.00 0.00 C ATOM 105 CZ PHE A 6 15.057 -0.194 2.165 1.00 0.00 C ATOM 0 H PHE A 6 15.452 -4.937 4.876 1.00 0.00 H new ATOM 0 HA PHE A 6 17.624 -4.308 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.958 -3.023 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.385 -2.708 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.205 -1.492 2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.771 -2.179 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.878 0.091 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.402 -0.756 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.481 0.498 1.569 1.00 0.00 H new ATOM 115 N VAL A 7 18.953 -6.184 4.013 1.00 0.00 N ATOM 116 CA VAL A 7 19.614 -7.368 4.598 1.00 0.00 C ATOM 117 C VAL A 7 21.010 -6.962 5.054 1.00 0.00 C ATOM 118 O VAL A 7 21.688 -6.231 4.334 1.00 0.00 O ATOM 119 CB VAL A 7 19.676 -8.535 3.579 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.057 -9.865 4.242 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.348 -8.723 2.823 1.00 0.00 C ATOM 0 H VAL A 7 19.254 -5.969 3.062 1.00 0.00 H new ATOM 0 HA VAL A 7 19.038 -7.725 5.452 1.00 0.00 H new ATOM 0 HB VAL A 7 20.453 -8.254 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.087 -10.652 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.038 -9.771 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.317 -10.118 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.443 -9.552 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.552 -8.939 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.108 -7.811 2.276 1.00 0.00 H new ATOM 131 N CYS A 8 21.463 -7.427 6.218 1.00 0.00 N ATOM 132 CA CYS A 8 22.760 -7.072 6.780 1.00 0.00 C ATOM 133 C CYS A 8 23.601 -8.312 7.098 1.00 0.00 C ATOM 134 O CYS A 8 23.105 -9.438 7.165 1.00 0.00 O ATOM 135 CB CYS A 8 22.543 -6.209 8.039 1.00 0.00 C ATOM 136 SG CYS A 8 23.926 -5.060 8.279 1.00 0.00 S ATOM 0 H CYS A 8 20.929 -8.070 6.803 1.00 0.00 H new ATOM 0 HA CYS A 8 23.319 -6.500 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.612 -5.650 7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.443 -6.852 8.913 1.00 0.00 H new ATOM 0 HG CYS A 8 23.550 -4.084 9.052 1.00 0.00 H new ATOM 142 N LYS A 9 24.892 -8.048 7.306 1.00 0.00 N ATOM 143 CA LYS A 9 25.950 -8.914 7.829 1.00 0.00 C ATOM 144 C LYS A 9 26.908 -7.943 8.524 1.00 0.00 C ATOM 145 O LYS A 9 26.974 -6.779 8.106 1.00 0.00 O ATOM 146 CB LYS A 9 26.670 -9.694 6.710 1.00 0.00 C ATOM 147 CG LYS A 9 25.815 -10.828 6.120 1.00 0.00 C ATOM 148 CD LYS A 9 26.659 -11.766 5.242 1.00 0.00 C ATOM 149 CE LYS A 9 25.798 -12.933 4.724 1.00 0.00 C ATOM 150 NZ LYS A 9 26.608 -13.964 4.013 1.00 0.00 N ATOM 0 H LYS A 9 25.261 -7.122 7.089 1.00 0.00 H new ATOM 0 HA LYS A 9 25.557 -9.680 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.946 -9.003 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.596 -10.112 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.356 -11.398 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.004 -10.404 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.075 -11.211 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.501 -12.153 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.278 -13.397 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.034 -12.546 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.985 -14.728 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.084 -13.529 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.321 -14.354 4.662 1.00 0.00 H new ATOM 164 N ARG A 10 27.705 -8.397 9.500 1.00 0.00 N ATOM 165 CA ARG A 10 28.477 -7.495 10.371 1.00 0.00 C ATOM 166 C ARG A 10 27.487 -6.546 11.075 1.00 0.00 C ATOM 167 O ARG A 10 26.342 -6.939 11.309 1.00 0.00 O ATOM 168 CB ARG A 10 29.655 -6.858 9.591 1.00 0.00 C ATOM 169 CG ARG A 10 30.705 -6.209 10.516 1.00 0.00 C ATOM 170 CD ARG A 10 32.156 -6.427 10.094 1.00 0.00 C ATOM 171 NE ARG A 10 32.522 -7.854 9.994 1.00 0.00 N ATOM 172 CZ ARG A 10 33.038 -8.480 8.926 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.280 -7.830 7.789 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.315 -9.780 9.003 1.00 0.00 N ATOM 0 H ARG A 10 27.834 -9.387 9.708 1.00 0.00 H new ATOM 0 HA ARG A 10 28.991 -8.018 11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.137 -7.623 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.266 -6.104 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.513 -5.137 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.572 -6.602 11.524 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.324 -5.947 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.814 -5.939 10.812 1.00 0.00 H new ATOM 0 HE ARG A 10 32.366 -8.424 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.072 -6.834 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.673 -8.328 6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.135 -10.290 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.708 -10.266 8.197 1.00 0.00 H new ATOM 188 N ASN A 11 27.926 -5.348 11.471 1.00 0.00 N ATOM 189 CA ASN A 11 27.157 -4.458 12.331 1.00 0.00 C ATOM 190 C ASN A 11 25.825 -4.116 11.674 1.00 0.00 C ATOM 191 O ASN A 11 25.809 -3.579 10.565 1.00 0.00 O ATOM 192 CB ASN A 11 27.963 -3.188 12.633 1.00 0.00 C ATOM 193 CG ASN A 11 27.359 -2.403 13.792 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.154 -2.171 13.852 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.187 -2.010 14.745 1.00 0.00 N ATOM 0 H ASN A 11 28.833 -4.970 11.199 1.00 0.00 H new ATOM 0 HA ASN A 11 26.952 -4.963 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.992 -3.457 12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.997 -2.558 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.829 -1.502 15.554 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.183 -2.215 14.671 1.00 0.00 H new ATOM 202 N SER A 12 24.732 -4.396 12.382 1.00 0.00 N ATOM 203 CA SER A 12 23.350 -4.194 11.966 1.00 0.00 C ATOM 204 C SER A 12 23.064 -2.794 11.416 1.00 0.00 C ATOM 205 O SER A 12 22.148 -2.639 10.606 1.00 0.00 O ATOM 206 CB SER A 12 22.471 -4.445 13.197 1.00 0.00 C ATOM 207 OG SER A 12 22.917 -5.610 13.874 1.00 0.00 O ATOM 0 H SER A 12 24.795 -4.794 13.319 1.00 0.00 H new ATOM 0 HA SER A 12 23.139 -4.882 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.512 -3.586 13.866 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.431 -4.564 12.895 1.00 0.00 H new ATOM 0 HG SER A 12 22.354 -5.767 14.661 1.00 0.00 H new ATOM 213 N CYS A 13 23.823 -1.785 11.867 1.00 0.00 N ATOM 214 CA CYS A 13 23.547 -0.379 11.616 1.00 0.00 C ATOM 215 C CYS A 13 23.257 -0.082 10.149 1.00 0.00 C ATOM 216 O CYS A 13 22.264 0.576 9.884 1.00 0.00 O ATOM 217 CB CYS A 13 24.701 0.486 12.157 1.00 0.00 C ATOM 218 SG CYS A 13 26.287 0.047 11.397 1.00 0.00 S ATOM 0 H CYS A 13 24.662 -1.936 12.428 1.00 0.00 H new ATOM 0 HA CYS A 13 22.633 -0.122 12.151 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.486 1.538 11.968 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.770 0.364 13.238 1.00 0.00 H new ATOM 0 HG CYS A 13 27.259 0.548 12.100 1.00 0.00 H new ATOM 224 N ARG A 14 24.065 -0.561 9.198 1.00 0.00 N ATOM 225 CA ARG A 14 23.936 -0.114 7.803 1.00 0.00 C ATOM 226 C ARG A 14 22.563 -0.423 7.209 1.00 0.00 C ATOM 227 O ARG A 14 21.934 0.477 6.662 1.00 0.00 O ATOM 228 CB ARG A 14 25.153 -0.550 6.948 1.00 0.00 C ATOM 229 CG ARG A 14 25.505 -2.050 6.962 1.00 0.00 C ATOM 230 CD ARG A 14 26.822 -2.332 6.217 1.00 0.00 C ATOM 231 NE ARG A 14 27.221 -3.748 6.358 1.00 0.00 N ATOM 232 CZ ARG A 14 28.047 -4.423 5.542 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.675 -3.809 4.543 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.241 -5.721 5.747 1.00 0.00 N ATOM 0 H ARG A 14 24.803 -1.246 9.361 1.00 0.00 H new ATOM 0 HA ARG A 14 23.972 0.975 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.968 -0.253 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.026 0.008 7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.589 -2.395 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.697 -2.618 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.706 -2.087 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.610 -1.688 6.608 1.00 0.00 H new ATOM 0 HE ARG A 14 26.833 -4.261 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.532 -2.811 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.299 -4.336 3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.765 -6.193 6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.866 -6.246 5.135 1.00 0.00 H new ATOM 248 N SER A 15 22.036 -1.630 7.393 1.00 0.00 N ATOM 249 CA SER A 15 20.785 -2.002 6.735 1.00 0.00 C ATOM 250 C SER A 15 19.574 -1.741 7.637 1.00 0.00 C ATOM 251 O SER A 15 18.495 -1.427 7.142 1.00 0.00 O ATOM 252 CB SER A 15 20.850 -3.445 6.254 1.00 0.00 C ATOM 253 OG SER A 15 22.197 -3.839 6.025 1.00 0.00 O ATOM 0 H SER A 15 22.445 -2.356 7.981 1.00 0.00 H new ATOM 0 HA SER A 15 20.654 -1.368 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.395 -4.101 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.273 -3.554 5.336 1.00 0.00 H new ATOM 0 HG SER A 15 22.663 -3.925 6.883 1.00 0.00 H new ATOM 259 N GLN A 16 19.735 -1.792 8.960 1.00 0.00 N ATOM 260 CA GLN A 16 18.678 -1.387 9.890 1.00 0.00 C ATOM 261 C GLN A 16 18.468 0.132 9.808 1.00 0.00 C ATOM 262 O GLN A 16 17.339 0.605 9.912 1.00 0.00 O ATOM 263 CB GLN A 16 19.071 -1.912 11.274 1.00 0.00 C ATOM 264 CG GLN A 16 18.112 -1.601 12.435 1.00 0.00 C ATOM 265 CD GLN A 16 18.809 -1.682 13.796 1.00 0.00 C ATOM 266 OE1 GLN A 16 19.903 -2.219 13.947 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.234 -1.082 14.825 1.00 0.00 N ATOM 0 H GLN A 16 20.591 -2.111 9.414 1.00 0.00 H new ATOM 0 HA GLN A 16 17.707 -1.814 9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.183 -2.994 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.051 -1.505 11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.693 -0.603 12.301 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.278 -2.302 12.413 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.325 -0.633 14.711 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.699 -1.069 15.733 1.00 0.00 H new ATOM 276 N MET A 17 19.524 0.911 9.550 1.00 0.00 N ATOM 277 CA MET A 17 19.394 2.333 9.231 1.00 0.00 C ATOM 278 C MET A 17 18.672 2.494 7.910 1.00 0.00 C ATOM 279 O MET A 17 17.858 3.394 7.773 1.00 0.00 O ATOM 280 CB MET A 17 20.769 2.992 9.100 1.00 0.00 C ATOM 281 CG MET A 17 20.695 4.465 8.652 1.00 0.00 C ATOM 282 SD MET A 17 19.935 5.687 9.759 1.00 0.00 S ATOM 283 CE MET A 17 18.126 5.573 9.717 1.00 0.00 C ATOM 0 H MET A 17 20.487 0.574 9.557 1.00 0.00 H new ATOM 0 HA MET A 17 18.837 2.808 10.039 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.285 2.936 10.059 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.367 2.430 8.383 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.712 4.797 8.445 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.152 4.494 7.708 1.00 0.00 H new ATOM 0 HE1 MET A 17 17.698 6.340 10.362 1.00 0.00 H new ATOM 0 HE2 MET A 17 17.776 5.721 8.696 1.00 0.00 H new ATOM 0 HE3 MET A 17 17.815 4.589 10.068 1.00 0.00 H new ATOM 293 N ALA A 18 18.973 1.645 6.933 1.00 0.00 N ATOM 294 CA ALA A 18 18.334 1.739 5.637 1.00 0.00 C ATOM 295 C ALA A 18 16.826 1.570 5.812 1.00 0.00 C ATOM 296 O ALA A 18 16.074 2.369 5.266 1.00 0.00 O ATOM 297 CB ALA A 18 18.971 0.724 4.688 1.00 0.00 C ATOM 0 H ALA A 18 19.653 0.889 7.019 1.00 0.00 H new ATOM 0 HA ALA A 18 18.485 2.719 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.494 0.790 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.035 0.938 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.839 -0.281 5.089 1.00 0.00 H new ATOM 303 N GLU A 19 16.389 0.646 6.674 1.00 0.00 N ATOM 304 CA GLU A 19 14.991 0.564 7.070 1.00 0.00 C ATOM 305 C GLU A 19 14.544 1.861 7.749 1.00 0.00 C ATOM 306 O GLU A 19 13.450 2.325 7.446 1.00 0.00 O ATOM 307 CB GLU A 19 14.758 -0.647 7.981 1.00 0.00 C ATOM 308 CG GLU A 19 13.330 -0.694 8.563 1.00 0.00 C ATOM 309 CD GLU A 19 13.117 -1.788 9.619 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.102 -2.459 10.008 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.967 -1.942 10.089 1.00 0.00 O ATOM 0 H GLU A 19 16.990 -0.054 7.108 1.00 0.00 H new ATOM 0 HA GLU A 19 14.386 0.431 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.945 -1.561 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.478 -0.624 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.099 0.274 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.622 -0.848 7.748 1.00 0.00 H new ATOM 318 N GLY A 20 15.336 2.473 8.636 1.00 0.00 N ATOM 319 CA GLY A 20 14.893 3.637 9.388 1.00 0.00 C ATOM 320 C GLY A 20 14.694 4.846 8.481 1.00 0.00 C ATOM 321 O GLY A 20 13.651 5.492 8.527 1.00 0.00 O ATOM 0 H GLY A 20 16.289 2.175 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.958 3.407 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.627 3.875 10.158 1.00 0.00 H new ATOM 325 N PHE A 21 15.643 5.107 7.576 1.00 0.00 N ATOM 326 CA PHE A 21 15.494 6.148 6.567 1.00 0.00 C ATOM 327 C PHE A 21 14.329 5.780 5.663 1.00 0.00 C ATOM 328 O PHE A 21 13.550 6.657 5.320 1.00 0.00 O ATOM 329 CB PHE A 21 16.781 6.326 5.741 1.00 0.00 C ATOM 330 CG PHE A 21 17.851 7.206 6.358 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.559 8.525 6.758 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.167 6.731 6.481 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.562 9.341 7.310 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.164 7.540 7.038 1.00 0.00 C ATOM 335 CZ PHE A 21 19.865 8.846 7.465 1.00 0.00 C ATOM 0 H PHE A 21 16.529 4.603 7.526 1.00 0.00 H new ATOM 0 HA PHE A 21 15.300 7.099 7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.210 5.341 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.511 6.742 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.558 8.912 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.411 5.735 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.329 10.350 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.169 7.159 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.633 9.463 7.909 1.00 0.00 H new ATOM 345 N ALA A 22 14.167 4.509 5.291 1.00 0.00 N ATOM 346 CA ALA A 22 13.138 4.117 4.343 1.00 0.00 C ATOM 347 C ALA A 22 11.743 4.212 4.959 1.00 0.00 C ATOM 348 O ALA A 22 10.825 4.620 4.264 1.00 0.00 O ATOM 349 CB ALA A 22 13.456 2.724 3.790 1.00 0.00 C ATOM 0 H ALA A 22 14.739 3.738 5.635 1.00 0.00 H new ATOM 0 HA ALA A 22 13.135 4.814 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.684 2.430 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.423 2.744 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.487 2.006 4.609 1.00 0.00 H new ATOM 355 N LYS A 23 11.541 3.905 6.243 1.00 0.00 N ATOM 356 CA LYS A 23 10.234 4.062 6.886 1.00 0.00 C ATOM 357 C LYS A 23 9.896 5.533 7.142 1.00 0.00 C ATOM 358 O LYS A 23 8.723 5.872 7.231 1.00 0.00 O ATOM 359 CB LYS A 23 10.111 3.167 8.137 1.00 0.00 C ATOM 360 CG LYS A 23 10.909 3.641 9.362 1.00 0.00 C ATOM 361 CD LYS A 23 10.907 2.636 10.533 1.00 0.00 C ATOM 362 CE LYS A 23 9.525 2.346 11.153 1.00 0.00 C ATOM 363 NZ LYS A 23 8.952 3.502 11.908 1.00 0.00 N ATOM 0 H LYS A 23 12.269 3.545 6.860 1.00 0.00 H new ATOM 0 HA LYS A 23 9.472 3.709 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.059 3.099 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.438 2.160 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.939 3.832 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.497 4.589 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.334 1.696 10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.565 3.014 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.833 2.062 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.609 1.491 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.024 3.237 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.592 3.760 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.840 4.314 11.268 1.00 0.00 H new ATOM 377 N THR A 24 10.903 6.400 7.218 1.00 0.00 N ATOM 378 CA THR A 24 10.776 7.849 7.304 1.00 0.00 C ATOM 379 C THR A 24 10.439 8.437 5.925 1.00 0.00 C ATOM 380 O THR A 24 9.482 9.195 5.782 1.00 0.00 O ATOM 381 CB THR A 24 12.128 8.342 7.880 1.00 0.00 C ATOM 382 OG1 THR A 24 12.120 8.235 9.292 1.00 0.00 O ATOM 383 CG2 THR A 24 12.599 9.730 7.462 1.00 0.00 C ATOM 0 H THR A 24 11.876 6.094 7.221 1.00 0.00 H new ATOM 0 HA THR A 24 9.960 8.173 7.949 1.00 0.00 H new ATOM 0 HB THR A 24 12.862 7.675 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.978 8.547 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.556 9.948 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.715 9.764 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.863 10.472 7.772 1.00 0.00 H new ATOM 391 N LEU A 25 11.213 8.070 4.903 1.00 0.00 N ATOM 392 CA LEU A 25 11.191 8.682 3.576 1.00 0.00 C ATOM 393 C LEU A 25 10.130 8.049 2.668 1.00 0.00 C ATOM 394 O LEU A 25 9.614 8.703 1.766 1.00 0.00 O ATOM 395 CB LEU A 25 12.571 8.512 2.920 1.00 0.00 C ATOM 396 CG LEU A 25 13.707 9.376 3.485 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.034 8.947 2.845 1.00 0.00 C ATOM 398 CD2 LEU A 25 13.483 10.868 3.212 1.00 0.00 C ATOM 0 H LEU A 25 11.894 7.314 4.980 1.00 0.00 H new ATOM 0 HA LEU A 25 10.944 9.736 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.863 7.465 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.473 8.730 1.857 1.00 0.00 H new ATOM 0 HG LEU A 25 13.731 9.230 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.844 9.558 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.225 7.898 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.977 9.080 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.310 11.442 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.429 11.037 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.550 11.187 3.676 1.00 0.00 H new ATOM 410 N GLY A 26 9.801 6.780 2.917 1.00 0.00 N ATOM 411 CA GLY A 26 8.860 5.953 2.164 1.00 0.00 C ATOM 412 C GLY A 26 7.523 5.818 2.894 1.00 0.00 C ATOM 413 O GLY A 26 6.718 4.943 2.572 1.00 0.00 O ATOM 0 H GLY A 26 10.212 6.272 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.696 6.392 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.290 4.964 2.005 1.00 0.00 H new ATOM 417 N ALA A 27 7.302 6.645 3.917 1.00 0.00 N ATOM 418 CA ALA A 27 6.150 6.592 4.797 1.00 0.00 C ATOM 419 C ALA A 27 4.868 6.758 3.984 1.00 0.00 C ATOM 420 O ALA A 27 4.699 7.757 3.280 1.00 0.00 O ATOM 421 CB ALA A 27 6.283 7.689 5.863 1.00 0.00 C ATOM 0 H ALA A 27 7.949 7.396 4.158 1.00 0.00 H new ATOM 0 HA ALA A 27 6.104 5.625 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.421 7.656 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.193 7.527 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.330 8.664 5.378 1.00 0.00 H new ATOM 427 N GLY A 28 3.976 5.768 4.068 1.00 0.00 N ATOM 428 CA GLY A 28 2.687 5.803 3.376 1.00 0.00 C ATOM 429 C GLY A 28 2.787 5.479 1.890 1.00 0.00 C ATOM 430 O GLY A 28 1.804 5.632 1.163 1.00 0.00 O ATOM 0 H GLY A 28 4.127 4.922 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.009 5.093 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.246 6.793 3.495 1.00 0.00 H new ATOM 434 N LYS A 29 3.961 5.032 1.429 1.00 0.00 N ATOM 435 CA LYS A 29 4.261 4.732 0.039 1.00 0.00 C ATOM 436 C LYS A 29 4.747 3.298 -0.065 1.00 0.00 C ATOM 437 O LYS A 29 4.472 2.631 -1.054 1.00 0.00 O ATOM 438 CB LYS A 29 5.331 5.704 -0.461 1.00 0.00 C ATOM 439 CG LYS A 29 4.869 7.168 -0.460 1.00 0.00 C ATOM 440 CD LYS A 29 3.827 7.475 -1.547 1.00 0.00 C ATOM 441 CE LYS A 29 3.509 8.979 -1.575 1.00 0.00 C ATOM 442 NZ LYS A 29 2.518 9.326 -2.628 1.00 0.00 N ATOM 0 H LYS A 29 4.756 4.865 2.046 1.00 0.00 H new ATOM 0 HA LYS A 29 3.369 4.845 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.219 5.610 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.623 5.423 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.448 7.409 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.734 7.815 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.203 7.158 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.916 6.908 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.124 9.285 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.428 9.540 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.335 10.350 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.894 9.059 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.631 8.812 -2.453 1.00 0.00 H new ATOM 456 N ILE A 30 5.416 2.799 0.972 1.00 0.00 N ATOM 457 CA ILE A 30 5.929 1.441 1.073 1.00 0.00 C ATOM 458 C ILE A 30 5.777 0.943 2.512 1.00 0.00 C ATOM 459 O ILE A 30 5.359 1.683 3.403 1.00 0.00 O ATOM 460 CB ILE A 30 7.406 1.418 0.616 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.305 2.386 1.413 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.481 1.714 -0.888 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.777 1.965 1.449 1.00 0.00 C ATOM 0 H ILE A 30 5.623 3.358 1.800 1.00 0.00 H new ATOM 0 HA ILE A 30 5.362 0.773 0.425 1.00 0.00 H new ATOM 0 HB ILE A 30 7.793 0.419 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.231 3.381 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.931 2.458 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.522 1.698 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.920 0.957 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.055 2.697 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.349 2.691 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.863 0.983 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.168 1.920 0.432 1.00 0.00 H new ATOM 475 N ALA A 31 6.144 -0.316 2.716 1.00 0.00 N ATOM 476 CA ALA A 31 6.317 -0.971 4.005 1.00 0.00 C ATOM 477 C ALA A 31 7.789 -1.366 4.032 1.00 0.00 C ATOM 478 O ALA A 31 8.373 -1.636 2.984 1.00 0.00 O ATOM 479 CB ALA A 31 5.387 -2.184 4.112 1.00 0.00 C ATOM 0 H ALA A 31 6.341 -0.945 1.937 1.00 0.00 H new ATOM 0 HA ALA A 31 6.062 -0.333 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.526 -2.665 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.351 -1.858 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.621 -2.893 3.318 1.00 0.00 H new ATOM 485 N VAL A 32 8.402 -1.397 5.206 1.00 0.00 N ATOM 486 CA VAL A 32 9.841 -1.506 5.347 1.00 0.00 C ATOM 487 C VAL A 32 10.224 -2.488 6.475 1.00 0.00 C ATOM 488 O VAL A 32 9.555 -2.510 7.511 1.00 0.00 O ATOM 489 CB VAL A 32 10.343 -0.068 5.629 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.786 0.101 5.210 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.554 1.081 4.954 1.00 0.00 C ATOM 0 H VAL A 32 7.906 -1.346 6.096 1.00 0.00 H new ATOM 0 HA VAL A 32 10.305 -1.911 4.448 1.00 0.00 H new ATOM 0 HB VAL A 32 10.198 0.022 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.109 1.121 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.410 -0.599 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.880 -0.096 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.000 2.038 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.589 0.959 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.517 1.056 5.289 1.00 0.00 H new ATOM 501 N THR A 33 11.305 -3.263 6.297 1.00 0.00 N ATOM 502 CA THR A 33 11.849 -4.197 7.300 1.00 0.00 C ATOM 503 C THR A 33 13.374 -4.343 7.104 1.00 0.00 C ATOM 504 O THR A 33 13.870 -4.051 6.017 1.00 0.00 O ATOM 505 CB THR A 33 11.150 -5.565 7.169 1.00 0.00 C ATOM 506 OG1 THR A 33 9.768 -5.470 6.845 1.00 0.00 O ATOM 507 CG2 THR A 33 11.265 -6.443 8.423 1.00 0.00 C ATOM 0 H THR A 33 11.841 -3.259 5.429 1.00 0.00 H new ATOM 0 HA THR A 33 11.664 -3.806 8.301 1.00 0.00 H new ATOM 0 HB THR A 33 11.691 -6.032 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.386 -6.370 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.749 -7.388 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.316 -6.637 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.812 -5.929 9.270 1.00 0.00 H new ATOM 515 N SER A 34 14.131 -4.827 8.096 1.00 0.00 N ATOM 516 CA SER A 34 15.544 -5.214 7.954 1.00 0.00 C ATOM 517 C SER A 34 15.772 -6.617 8.537 1.00 0.00 C ATOM 518 O SER A 34 14.926 -7.117 9.280 1.00 0.00 O ATOM 519 CB SER A 34 16.487 -4.152 8.533 1.00 0.00 C ATOM 520 OG SER A 34 16.200 -3.879 9.886 1.00 0.00 O ATOM 0 H SER A 34 13.773 -4.964 9.041 1.00 0.00 H new ATOM 0 HA SER A 34 15.789 -5.266 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.518 -4.493 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.402 -3.234 7.951 1.00 0.00 H new ATOM 0 HG SER A 34 15.562 -3.137 9.942 1.00 0.00 H new ATOM 526 N CYS A 35 16.886 -7.282 8.212 1.00 0.00 N ATOM 527 CA CYS A 35 17.190 -8.603 8.762 1.00 0.00 C ATOM 528 C CYS A 35 18.695 -8.866 8.742 1.00 0.00 C ATOM 529 O CYS A 35 19.449 -8.128 8.105 1.00 0.00 O ATOM 530 CB CYS A 35 16.411 -9.676 7.980 1.00 0.00 C ATOM 531 SG CYS A 35 16.856 -9.732 6.224 1.00 0.00 S ATOM 0 H CYS A 35 17.592 -6.924 7.569 1.00 0.00 H new ATOM 0 HA CYS A 35 16.875 -8.642 9.805 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.598 -10.652 8.428 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.342 -9.482 8.073 1.00 0.00 H new ATOM 0 HG CYS A 35 16.047 -8.973 5.547 1.00 0.00 H new ATOM 537 N GLY A 36 19.127 -9.925 9.432 1.00 0.00 N ATOM 538 CA GLY A 36 20.543 -10.268 9.543 1.00 0.00 C ATOM 539 C GLY A 36 21.263 -9.291 10.471 1.00 0.00 C ATOM 540 O GLY A 36 22.369 -8.853 10.164 1.00 0.00 O ATOM 0 H GLY A 36 18.506 -10.565 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.648 -11.284 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.006 -10.248 8.556 1.00 0.00 H new ATOM 544 N LEU A 37 20.618 -8.902 11.582 1.00 0.00 N ATOM 545 CA LEU A 37 21.132 -7.934 12.559 1.00 0.00 C ATOM 546 C LEU A 37 22.270 -8.574 13.382 1.00 0.00 C ATOM 547 O LEU A 37 22.115 -8.801 14.579 1.00 0.00 O ATOM 548 CB LEU A 37 19.992 -7.405 13.471 1.00 0.00 C ATOM 549 CG LEU A 37 19.091 -6.307 12.865 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.890 -6.908 12.133 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.574 -5.390 13.980 1.00 0.00 C ATOM 0 H LEU A 37 19.697 -9.264 11.831 1.00 0.00 H new ATOM 0 HA LEU A 37 21.538 -7.075 12.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.362 -8.247 13.756 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.438 -7.016 14.387 1.00 0.00 H new ATOM 0 HG LEU A 37 19.691 -5.743 12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.278 -6.107 11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.240 -7.551 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.295 -7.495 12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.939 -4.616 13.549 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.997 -5.976 14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.418 -4.925 14.489 1.00 0.00 H new ATOM 563 N GLU A 38 23.377 -8.969 12.738 1.00 0.00 N ATOM 564 CA GLU A 38 24.511 -9.684 13.338 1.00 0.00 C ATOM 565 C GLU A 38 24.079 -10.941 14.113 1.00 0.00 C ATOM 566 O GLU A 38 24.718 -11.358 15.086 1.00 0.00 O ATOM 567 CB GLU A 38 25.295 -8.714 14.220 1.00 0.00 C ATOM 568 CG GLU A 38 26.800 -9.013 14.258 1.00 0.00 C ATOM 569 CD GLU A 38 27.573 -7.921 15.022 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.536 -7.905 16.277 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.250 -7.088 14.371 1.00 0.00 O ATOM 0 H GLU A 38 23.512 -8.791 11.743 1.00 0.00 H new ATOM 0 HA GLU A 38 25.154 -10.047 12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.142 -7.698 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.898 -8.753 15.234 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.968 -9.979 14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.183 -9.087 13.240 1.00 0.00 H new ATOM 578 N SER A 39 22.948 -11.516 13.703 1.00 0.00 N ATOM 579 CA SER A 39 22.304 -12.663 14.344 1.00 0.00 C ATOM 580 C SER A 39 22.015 -12.401 15.838 1.00 0.00 C ATOM 581 O SER A 39 22.026 -13.317 16.669 1.00 0.00 O ATOM 582 CB SER A 39 23.181 -13.899 14.097 1.00 0.00 C ATOM 583 OG SER A 39 23.353 -14.125 12.698 1.00 0.00 O ATOM 0 H SER A 39 22.437 -11.184 12.885 1.00 0.00 H new ATOM 0 HA SER A 39 21.322 -12.840 13.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.153 -13.762 14.570 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.723 -14.774 14.558 1.00 0.00 H new ATOM 0 HG SER A 39 23.916 -14.915 12.561 1.00 0.00 H new ATOM 589 N SER A 40 21.761 -11.137 16.169 1.00 0.00 N ATOM 590 CA SER A 40 21.667 -10.586 17.512 1.00 0.00 C ATOM 591 C SER A 40 20.580 -9.498 17.546 1.00 0.00 C ATOM 592 O SER A 40 19.803 -9.332 16.597 1.00 0.00 O ATOM 593 CB SER A 40 23.051 -10.019 17.885 1.00 0.00 C ATOM 594 OG SER A 40 24.085 -10.989 17.790 1.00 0.00 O ATOM 0 H SER A 40 21.605 -10.425 15.455 1.00 0.00 H new ATOM 0 HA SER A 40 21.386 -11.351 18.236 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.284 -9.180 17.229 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.017 -9.629 18.902 1.00 0.00 H new ATOM 0 HG SER A 40 24.316 -11.130 16.848 1.00 0.00 H new ATOM 600 N ARG A 41 20.487 -8.779 18.674 1.00 0.00 N ATOM 601 CA ARG A 41 19.616 -7.614 18.806 1.00 0.00 C ATOM 602 C ARG A 41 20.188 -6.415 18.034 1.00 0.00 C ATOM 603 O ARG A 41 21.254 -6.497 17.420 1.00 0.00 O ATOM 604 CB ARG A 41 19.426 -7.295 20.310 1.00 0.00 C ATOM 605 CG ARG A 41 17.945 -7.115 20.667 1.00 0.00 C ATOM 606 CD ARG A 41 17.209 -8.462 20.699 1.00 0.00 C ATOM 607 NE ARG A 41 15.750 -8.256 20.621 1.00 0.00 N ATOM 608 CZ ARG A 41 14.834 -8.488 21.572 1.00 0.00 C ATOM 609 NH1 ARG A 41 15.191 -8.948 22.769 1.00 0.00 N ATOM 610 NH2 ARG A 41 13.548 -8.254 21.317 1.00 0.00 N ATOM 0 H ARG A 41 21.017 -8.994 19.519 1.00 0.00 H new ATOM 0 HA ARG A 41 18.641 -7.831 18.370 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.850 -8.100 20.910 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.974 -6.387 20.562 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.860 -6.629 21.639 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.471 -6.457 19.939 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.539 -9.083 19.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.458 -8.997 21.615 1.00 0.00 H new ATOM 0 HE ARG A 41 15.395 -7.893 19.736 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.174 -9.129 22.973 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.482 -9.119 23.482 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.265 -7.901 20.403 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.846 -8.428 22.036 1.00 0.00 H new ATOM 624 N VAL A 42 19.477 -5.286 18.099 1.00 0.00 N ATOM 625 CA VAL A 42 19.934 -3.984 17.632 1.00 0.00 C ATOM 626 C VAL A 42 21.254 -3.580 18.297 1.00 0.00 C ATOM 627 O VAL A 42 21.703 -4.178 19.277 1.00 0.00 O ATOM 628 CB VAL A 42 18.830 -2.928 17.879 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.488 -3.323 17.239 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.621 -2.601 19.370 1.00 0.00 C ATOM 0 H VAL A 42 18.536 -5.257 18.492 1.00 0.00 H new ATOM 0 HA VAL A 42 20.128 -4.045 16.561 1.00 0.00 H new ATOM 0 HB VAL A 42 19.196 -2.024 17.392 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.747 -2.550 17.441 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.616 -3.430 16.162 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.149 -4.269 17.660 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.834 -1.854 19.472 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.334 -3.507 19.904 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.548 -2.210 19.790 1.00 0.00 H new ATOM 640 N HIS A 43 21.826 -2.494 17.779 1.00 0.00 N ATOM 641 CA HIS A 43 23.119 -1.978 18.173 1.00 0.00 C ATOM 642 C HIS A 43 22.927 -0.508 18.565 1.00 0.00 C ATOM 643 O HIS A 43 22.546 0.290 17.708 1.00 0.00 O ATOM 644 CB HIS A 43 24.050 -2.198 16.977 1.00 0.00 C ATOM 645 CG HIS A 43 25.458 -1.744 17.244 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.359 -2.327 18.108 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.064 -0.646 16.704 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.487 -1.597 18.084 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.356 -0.563 17.233 1.00 0.00 N ATOM 0 H HIS A 43 21.380 -1.937 17.050 1.00 0.00 H new ATOM 0 HA HIS A 43 23.564 -2.474 19.036 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.057 -3.257 16.718 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.658 -1.661 16.113 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.623 0.038 15.994 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.372 -1.810 18.665 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.060 0.142 17.016 1.00 0.00 H new ATOM 657 N PRO A 44 23.165 -0.112 19.828 1.00 0.00 N ATOM 658 CA PRO A 44 22.800 1.207 20.347 1.00 0.00 C ATOM 659 C PRO A 44 23.590 2.335 19.694 1.00 0.00 C ATOM 660 O PRO A 44 23.068 3.444 19.603 1.00 0.00 O ATOM 661 CB PRO A 44 23.075 1.154 21.855 1.00 0.00 C ATOM 662 CG PRO A 44 24.242 0.179 21.908 1.00 0.00 C ATOM 663 CD PRO A 44 23.789 -0.877 20.894 1.00 0.00 C ATOM 0 HA PRO A 44 21.755 1.423 20.126 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.337 2.131 22.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.213 0.796 22.418 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.184 0.648 21.622 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.384 -0.240 22.904 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.633 -1.459 20.523 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.087 -1.581 21.341 1.00 0.00 H new ATOM 671 N THR A 45 24.801 2.074 19.186 1.00 0.00 N ATOM 672 CA THR A 45 25.555 3.111 18.495 1.00 0.00 C ATOM 673 C THR A 45 24.755 3.587 17.279 1.00 0.00 C ATOM 674 O THR A 45 24.732 4.779 16.981 1.00 0.00 O ATOM 675 CB THR A 45 26.952 2.618 18.067 1.00 0.00 C ATOM 676 OG1 THR A 45 27.546 1.865 19.110 1.00 0.00 O ATOM 677 CG2 THR A 45 27.879 3.777 17.674 1.00 0.00 C ATOM 0 H THR A 45 25.268 1.169 19.242 1.00 0.00 H new ATOM 0 HA THR A 45 25.710 3.942 19.183 1.00 0.00 H new ATOM 0 HB THR A 45 26.816 1.988 17.188 1.00 0.00 H new ATOM 0 HG1 THR A 45 27.646 0.933 18.825 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.851 3.382 17.380 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.442 4.325 16.839 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.002 4.448 18.524 1.00 0.00 H new ATOM 685 N ALA A 46 24.039 2.669 16.606 1.00 0.00 N ATOM 686 CA ALA A 46 23.225 3.031 15.460 1.00 0.00 C ATOM 687 C ALA A 46 22.101 3.939 15.929 1.00 0.00 C ATOM 688 O ALA A 46 21.881 4.986 15.345 1.00 0.00 O ATOM 689 CB ALA A 46 22.670 1.776 14.765 1.00 0.00 C ATOM 0 H ALA A 46 24.015 1.677 16.844 1.00 0.00 H new ATOM 0 HA ALA A 46 23.836 3.560 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.063 2.072 13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.497 1.153 14.425 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.056 1.213 15.468 1.00 0.00 H new ATOM 695 N ILE A 47 21.445 3.587 17.034 1.00 0.00 N ATOM 696 CA ILE A 47 20.336 4.373 17.562 1.00 0.00 C ATOM 697 C ILE A 47 20.829 5.787 17.856 1.00 0.00 C ATOM 698 O ILE A 47 20.197 6.736 17.407 1.00 0.00 O ATOM 699 CB ILE A 47 19.712 3.700 18.797 1.00 0.00 C ATOM 700 CG1 ILE A 47 18.774 2.540 18.425 1.00 0.00 C ATOM 701 CG2 ILE A 47 18.882 4.670 19.666 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.417 1.280 17.853 1.00 0.00 C ATOM 0 H ILE A 47 21.666 2.756 17.583 1.00 0.00 H new ATOM 0 HA ILE A 47 19.541 4.431 16.819 1.00 0.00 H new ATOM 0 HB ILE A 47 20.574 3.339 19.357 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.214 2.259 19.317 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.051 2.910 17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.470 4.132 20.520 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.521 5.479 20.021 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.068 5.085 19.072 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.643 0.544 17.635 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.951 1.528 16.936 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.117 0.867 18.579 1.00 0.00 H new ATOM 714 N ALA A 48 21.973 5.946 18.530 1.00 0.00 N ATOM 715 CA ALA A 48 22.506 7.268 18.831 1.00 0.00 C ATOM 716 C ALA A 48 22.796 8.048 17.548 1.00 0.00 C ATOM 717 O ALA A 48 22.444 9.221 17.439 1.00 0.00 O ATOM 718 CB ALA A 48 23.767 7.160 19.690 1.00 0.00 C ATOM 0 H ALA A 48 22.543 5.173 18.875 1.00 0.00 H new ATOM 0 HA ALA A 48 21.750 7.814 19.396 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.149 8.158 19.903 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.527 6.656 20.626 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.525 6.589 19.154 1.00 0.00 H new ATOM 724 N MET A 49 23.388 7.382 16.559 1.00 0.00 N ATOM 725 CA MET A 49 23.687 7.947 15.252 1.00 0.00 C ATOM 726 C MET A 49 22.444 8.383 14.500 1.00 0.00 C ATOM 727 O MET A 49 22.562 9.222 13.606 1.00 0.00 O ATOM 728 CB MET A 49 24.465 6.941 14.401 1.00 0.00 C ATOM 729 CG MET A 49 25.902 6.762 14.881 1.00 0.00 C ATOM 730 SD MET A 49 27.024 8.063 14.305 1.00 0.00 S ATOM 731 CE MET A 49 27.160 9.051 15.813 1.00 0.00 C ATOM 0 H MET A 49 23.679 6.409 16.650 1.00 0.00 H new ATOM 0 HA MET A 49 24.292 8.835 15.432 1.00 0.00 H new ATOM 0 HB2 MET A 49 23.955 5.978 14.424 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.470 7.274 13.363 1.00 0.00 H new ATOM 0 HG2 MET A 49 25.913 6.740 15.971 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.273 5.796 14.539 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.057 9.668 15.764 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.284 9.692 15.908 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.221 8.389 16.677 1.00 0.00 H new ATOM 741 N MET A 50 21.274 7.838 14.824 1.00 0.00 N ATOM 742 CA MET A 50 20.052 8.176 14.112 1.00 0.00 C ATOM 743 C MET A 50 19.289 9.201 14.940 1.00 0.00 C ATOM 744 O MET A 50 18.663 10.103 14.390 1.00 0.00 O ATOM 745 CB MET A 50 19.236 6.908 13.830 1.00 0.00 C ATOM 746 CG MET A 50 20.005 5.790 13.113 1.00 0.00 C ATOM 747 SD MET A 50 21.614 6.191 12.338 1.00 0.00 S ATOM 748 CE MET A 50 22.314 4.543 12.141 1.00 0.00 C ATOM 0 H MET A 50 21.150 7.160 15.576 1.00 0.00 H new ATOM 0 HA MET A 50 20.272 8.617 13.140 1.00 0.00 H new ATOM 0 HB2 MET A 50 18.857 6.520 14.775 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.370 7.178 13.226 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.175 4.990 13.834 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.355 5.386 12.337 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.159 4.423 12.819 1.00 0.00 H new ATOM 0 HE2 MET A 50 21.555 3.795 12.372 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.652 4.412 11.113 1.00 0.00 H new ATOM 758 N GLU A 51 19.406 9.145 16.263 1.00 0.00 N ATOM 759 CA GLU A 51 18.860 10.146 17.154 1.00 0.00 C ATOM 760 C GLU A 51 19.547 11.490 16.906 1.00 0.00 C ATOM 761 O GLU A 51 18.881 12.524 16.912 1.00 0.00 O ATOM 762 CB GLU A 51 19.023 9.656 18.603 1.00 0.00 C ATOM 763 CG GLU A 51 18.405 10.626 19.617 1.00 0.00 C ATOM 764 CD GLU A 51 18.507 10.076 21.051 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.577 10.225 21.692 1.00 0.00 O ATOM 766 OE2 GLU A 51 17.511 9.503 21.555 1.00 0.00 O ATOM 0 H GLU A 51 19.891 8.389 16.747 1.00 0.00 H new ATOM 0 HA GLU A 51 17.797 10.296 16.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.555 8.677 18.708 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.083 9.529 18.824 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.912 11.589 19.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.359 10.800 19.366 1.00 0.00 H new ATOM 773 N GLU A 52 20.850 11.481 16.595 1.00 0.00 N ATOM 774 CA GLU A 52 21.594 12.683 16.242 1.00 0.00 C ATOM 775 C GLU A 52 21.265 13.187 14.817 1.00 0.00 C ATOM 776 O GLU A 52 21.875 14.145 14.343 1.00 0.00 O ATOM 777 CB GLU A 52 23.097 12.540 16.568 1.00 0.00 C ATOM 778 CG GLU A 52 23.934 11.631 15.659 1.00 0.00 C ATOM 779 CD GLU A 52 25.245 12.283 15.203 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.047 12.725 16.058 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.517 12.293 13.978 1.00 0.00 O ATOM 0 H GLU A 52 21.415 10.632 16.583 1.00 0.00 H new ATOM 0 HA GLU A 52 21.251 13.495 16.884 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.541 13.535 16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.186 12.169 17.589 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.160 10.706 16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.345 11.361 14.783 1.00 0.00 H new ATOM 788 N VAL A 53 20.274 12.578 14.153 1.00 0.00 N ATOM 789 CA VAL A 53 19.665 13.027 12.903 1.00 0.00 C ATOM 790 C VAL A 53 18.210 13.430 13.181 1.00 0.00 C ATOM 791 O VAL A 53 17.756 14.467 12.691 1.00 0.00 O ATOM 792 CB VAL A 53 19.758 11.899 11.849 1.00 0.00 C ATOM 793 CG1 VAL A 53 18.906 12.149 10.601 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.211 11.676 11.435 1.00 0.00 C ATOM 0 H VAL A 53 19.856 11.713 14.495 1.00 0.00 H new ATOM 0 HA VAL A 53 20.192 13.894 12.505 1.00 0.00 H new ATOM 0 HB VAL A 53 19.358 11.007 12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.023 11.316 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.858 12.239 10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.230 13.071 10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.260 10.879 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.613 12.595 11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.799 11.395 12.309 1.00 0.00 H new ATOM 804 N GLY A 54 17.487 12.631 13.974 1.00 0.00 N ATOM 805 CA GLY A 54 16.067 12.795 14.258 1.00 0.00 C ATOM 806 C GLY A 54 15.258 11.557 13.859 1.00 0.00 C ATOM 807 O GLY A 54 14.081 11.687 13.518 1.00 0.00 O ATOM 0 H GLY A 54 17.894 11.826 14.450 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.930 12.991 15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.688 13.665 13.722 1.00 0.00 H new ATOM 811 N ILE A 55 15.881 10.372 13.850 1.00 0.00 N ATOM 812 CA ILE A 55 15.283 9.092 13.482 1.00 0.00 C ATOM 813 C ILE A 55 15.481 8.145 14.677 1.00 0.00 C ATOM 814 O ILE A 55 16.357 8.360 15.516 1.00 0.00 O ATOM 815 CB ILE A 55 15.840 8.582 12.128 1.00 0.00 C ATOM 816 CG1 ILE A 55 15.556 9.663 11.061 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.215 7.224 11.723 1.00 0.00 C ATOM 818 CD1 ILE A 55 15.872 9.210 9.644 1.00 0.00 C ATOM 0 H ILE A 55 16.862 10.280 14.112 1.00 0.00 H new ATOM 0 HA ILE A 55 14.212 9.173 13.296 1.00 0.00 H new ATOM 0 HB ILE A 55 16.913 8.410 12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.506 9.951 11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.143 10.552 11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.632 6.902 10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.438 6.479 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.135 7.334 11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.650 10.017 8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.928 8.949 9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.265 8.339 9.397 1.00 0.00 H new ATOM 830 N ASP A 56 14.672 7.093 14.761 1.00 0.00 N ATOM 831 CA ASP A 56 14.655 6.130 15.858 1.00 0.00 C ATOM 832 C ASP A 56 14.514 4.741 15.235 1.00 0.00 C ATOM 833 O ASP A 56 13.621 4.537 14.408 1.00 0.00 O ATOM 834 CB ASP A 56 13.477 6.444 16.783 1.00 0.00 C ATOM 835 CG ASP A 56 13.387 5.431 17.932 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.772 4.354 17.749 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.908 5.731 19.032 1.00 0.00 O ATOM 0 H ASP A 56 13.984 6.880 14.039 1.00 0.00 H new ATOM 0 HA ASP A 56 15.567 6.177 16.453 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.588 7.449 17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.549 6.432 16.211 1.00 0.00 H new ATOM 842 N ILE A 57 15.427 3.813 15.567 1.00 0.00 N ATOM 843 CA ILE A 57 15.539 2.502 14.933 1.00 0.00 C ATOM 844 C ILE A 57 15.691 1.391 15.972 1.00 0.00 C ATOM 845 O ILE A 57 15.910 0.237 15.609 1.00 0.00 O ATOM 846 CB ILE A 57 16.634 2.512 13.832 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.090 2.618 14.335 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.388 3.640 12.810 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.119 2.388 13.218 1.00 0.00 C ATOM 0 H ILE A 57 16.120 3.963 16.300 1.00 0.00 H new ATOM 0 HA ILE A 57 14.607 2.275 14.415 1.00 0.00 H new ATOM 0 HB ILE A 57 16.537 1.529 13.371 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.248 3.604 14.773 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.251 1.888 15.128 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.171 3.621 12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.418 3.495 12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.401 4.603 13.321 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.126 2.474 13.627 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.982 1.392 12.797 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.980 3.135 12.436 1.00 0.00 H new ATOM 861 N SER A 58 15.594 1.708 17.258 1.00 0.00 N ATOM 862 CA SER A 58 15.596 0.753 18.346 1.00 0.00 C ATOM 863 C SER A 58 14.324 -0.091 18.282 1.00 0.00 C ATOM 864 O SER A 58 13.255 0.390 17.903 1.00 0.00 O ATOM 865 CB SER A 58 15.719 1.485 19.691 1.00 0.00 C ATOM 866 OG SER A 58 15.764 2.906 19.552 1.00 0.00 O ATOM 0 H SER A 58 15.509 2.673 17.577 1.00 0.00 H new ATOM 0 HA SER A 58 16.455 0.088 18.253 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.874 1.214 20.324 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.621 1.147 20.201 1.00 0.00 H new ATOM 0 HG SER A 58 15.841 3.319 20.437 1.00 0.00 H new ATOM 872 N GLY A 59 14.453 -1.373 18.632 1.00 0.00 N ATOM 873 CA GLY A 59 13.351 -2.324 18.585 1.00 0.00 C ATOM 874 C GLY A 59 12.813 -2.581 17.174 1.00 0.00 C ATOM 875 O GLY A 59 11.825 -3.307 17.064 1.00 0.00 O ATOM 0 H GLY A 59 15.331 -1.778 18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.681 -3.270 19.015 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.539 -1.955 19.211 1.00 0.00 H new ATOM 879 N GLN A 60 13.419 -2.019 16.107 1.00 0.00 N ATOM 880 CA GLN A 60 12.955 -2.253 14.740 1.00 0.00 C ATOM 881 C GLN A 60 12.856 -3.741 14.423 1.00 0.00 C ATOM 882 O GLN A 60 11.785 -4.247 14.074 1.00 0.00 O ATOM 883 CB GLN A 60 13.905 -1.594 13.714 1.00 0.00 C ATOM 884 CG GLN A 60 13.312 -0.281 13.208 1.00 0.00 C ATOM 885 CD GLN A 60 14.170 0.440 12.162 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.059 1.646 12.002 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.035 -0.238 11.428 1.00 0.00 N ATOM 0 H GLN A 60 14.229 -1.402 16.175 1.00 0.00 H new ATOM 0 HA GLN A 60 11.963 -1.807 14.668 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.876 -1.409 14.174 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.073 -2.271 12.877 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.330 -0.481 12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.159 0.386 14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.133 -1.245 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.604 0.246 10.734 1.00 0.00 H new ATOM 896 N THR A 61 13.986 -4.420 14.579 1.00 0.00 N ATOM 897 CA THR A 61 14.194 -5.776 14.103 1.00 0.00 C ATOM 898 C THR A 61 15.214 -6.492 14.990 1.00 0.00 C ATOM 899 O THR A 61 15.933 -5.835 15.743 1.00 0.00 O ATOM 900 CB THR A 61 14.625 -5.676 12.623 1.00 0.00 C ATOM 901 OG1 THR A 61 15.508 -4.575 12.462 1.00 0.00 O ATOM 902 CG2 THR A 61 13.424 -5.456 11.701 1.00 0.00 C ATOM 0 H THR A 61 14.801 -4.030 15.052 1.00 0.00 H new ATOM 0 HA THR A 61 13.286 -6.376 14.160 1.00 0.00 H new ATOM 0 HB THR A 61 15.111 -6.615 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.665 -4.419 11.507 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.766 -5.391 10.668 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.730 -6.291 11.802 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.919 -4.530 11.976 1.00 0.00 H new ATOM 910 N SER A 62 15.269 -7.828 14.937 1.00 0.00 N ATOM 911 CA SER A 62 16.223 -8.685 15.657 1.00 0.00 C ATOM 912 C SER A 62 16.158 -10.117 15.077 1.00 0.00 C ATOM 913 O SER A 62 16.114 -11.090 15.835 1.00 0.00 O ATOM 914 CB SER A 62 15.889 -8.693 17.165 1.00 0.00 C ATOM 915 OG SER A 62 16.164 -7.458 17.808 1.00 0.00 O ATOM 0 H SER A 62 14.620 -8.368 14.365 1.00 0.00 H new ATOM 0 HA SER A 62 17.234 -8.297 15.533 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.834 -8.935 17.295 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.460 -9.483 17.652 1.00 0.00 H new ATOM 0 HG SER A 62 16.478 -6.807 17.146 1.00 0.00 H new ATOM 921 N ASP A 63 16.087 -10.277 13.743 1.00 0.00 N ATOM 922 CA ASP A 63 15.788 -11.583 13.126 1.00 0.00 C ATOM 923 C ASP A 63 16.669 -11.874 11.903 1.00 0.00 C ATOM 924 O ASP A 63 17.081 -10.935 11.212 1.00 0.00 O ATOM 925 CB ASP A 63 14.307 -11.636 12.728 1.00 0.00 C ATOM 926 CG ASP A 63 13.389 -11.868 13.937 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.255 -13.031 14.384 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.787 -10.884 14.432 1.00 0.00 O ATOM 0 H ASP A 63 16.232 -9.521 13.073 1.00 0.00 H new ATOM 0 HA ASP A 63 16.007 -12.352 13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.031 -10.702 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.156 -12.434 12.001 1.00 0.00 H new ATOM 933 N PRO A 64 16.973 -13.156 11.610 1.00 0.00 N ATOM 934 CA PRO A 64 17.835 -13.564 10.501 1.00 0.00 C ATOM 935 C PRO A 64 17.073 -13.651 9.171 1.00 0.00 C ATOM 936 O PRO A 64 15.847 -13.775 9.148 1.00 0.00 O ATOM 937 CB PRO A 64 18.378 -14.936 10.920 1.00 0.00 C ATOM 938 CG PRO A 64 17.221 -15.541 11.710 1.00 0.00 C ATOM 939 CD PRO A 64 16.623 -14.325 12.416 1.00 0.00 C ATOM 0 HA PRO A 64 18.627 -12.837 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.639 -15.547 10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.277 -14.845 11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.496 -16.027 11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.565 -16.293 12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.541 -14.423 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.020 -14.231 13.427 1.00 0.00 H new ATOM 947 N ILE A 65 17.822 -13.665 8.061 1.00 0.00 N ATOM 948 CA ILE A 65 17.303 -13.738 6.689 1.00 0.00 C ATOM 949 C ILE A 65 16.473 -15.002 6.475 1.00 0.00 C ATOM 950 O ILE A 65 15.448 -14.969 5.803 1.00 0.00 O ATOM 951 CB ILE A 65 18.487 -13.616 5.682 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.984 -13.496 4.224 1.00 0.00 C ATOM 953 CG2 ILE A 65 19.527 -14.752 5.831 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.063 -13.561 3.131 1.00 0.00 C ATOM 0 H ILE A 65 18.841 -13.624 8.094 1.00 0.00 H new ATOM 0 HA ILE A 65 16.624 -12.904 6.512 1.00 0.00 H new ATOM 0 HB ILE A 65 19.006 -12.691 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.263 -14.293 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.448 -12.552 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 65 20.326 -14.612 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.945 -14.733 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 65 19.043 -15.713 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.595 -13.467 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.774 -12.747 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.586 -14.515 3.193 1.00 0.00 H new ATOM 966 N GLU A 66 16.899 -16.111 7.074 1.00 0.00 N ATOM 967 CA GLU A 66 16.322 -17.424 6.815 1.00 0.00 C ATOM 968 C GLU A 66 14.911 -17.553 7.395 1.00 0.00 C ATOM 969 O GLU A 66 14.123 -18.370 6.910 1.00 0.00 O ATOM 970 CB GLU A 66 17.260 -18.496 7.386 1.00 0.00 C ATOM 971 CG GLU A 66 18.495 -18.723 6.506 1.00 0.00 C ATOM 972 CD GLU A 66 19.372 -19.863 7.058 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.285 -19.594 7.877 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.166 -21.039 6.671 1.00 0.00 O ATOM 0 H GLU A 66 17.658 -16.122 7.756 1.00 0.00 H new ATOM 0 HA GLU A 66 16.223 -17.561 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.579 -18.200 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.714 -19.434 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.181 -18.962 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.080 -17.805 6.452 1.00 0.00 H new ATOM 981 N ASN A 67 14.567 -16.738 8.401 1.00 0.00 N ATOM 982 CA ASN A 67 13.208 -16.659 8.912 1.00 0.00 C ATOM 983 C ASN A 67 12.283 -15.902 7.943 1.00 0.00 C ATOM 984 O ASN A 67 11.066 -16.080 8.027 1.00 0.00 O ATOM 985 CB ASN A 67 13.176 -16.071 10.341 1.00 0.00 C ATOM 986 CG ASN A 67 12.425 -14.749 10.436 1.00 0.00 C ATOM 987 OD1 ASN A 67 11.272 -14.685 10.853 1.00 0.00 O ATOM 988 ND2 ASN A 67 13.076 -13.676 10.035 1.00 0.00 N ATOM 0 H ASN A 67 15.226 -16.121 8.876 1.00 0.00 H new ATOM 0 HA ASN A 67 12.820 -17.675 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.711 -16.793 11.012 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.199 -15.925 10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.623 -12.763 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.033 -13.758 9.693 1.00 0.00 H new ATOM 995 N PHE A 68 12.826 -15.068 7.042 1.00 0.00 N ATOM 996 CA PHE A 68 12.034 -14.226 6.159 1.00 0.00 C ATOM 997 C PHE A 68 11.760 -14.926 4.819 1.00 0.00 C ATOM 998 O PHE A 68 12.340 -15.966 4.497 1.00 0.00 O ATOM 999 CB PHE A 68 12.686 -12.840 5.991 1.00 0.00 C ATOM 1000 CG PHE A 68 12.533 -11.947 7.211 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.263 -11.457 7.569 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.647 -11.614 8.003 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.108 -10.645 8.707 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.489 -10.803 9.145 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.221 -10.312 9.494 1.00 0.00 C ATOM 0 H PHE A 68 13.832 -14.965 6.912 1.00 0.00 H new ATOM 0 HA PHE A 68 11.061 -14.060 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.747 -12.970 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.245 -12.342 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.402 -11.706 6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.627 -11.981 7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.129 -10.277 8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.347 -10.558 9.754 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.103 -9.682 10.363 1.00 0.00 H new ATOM 1015 N ASN A 69 10.838 -14.346 4.045 1.00 0.00 N ATOM 1016 CA ASN A 69 10.273 -14.913 2.825 1.00 0.00 C ATOM 1017 C ASN A 69 10.071 -13.785 1.823 1.00 0.00 C ATOM 1018 O ASN A 69 8.984 -13.211 1.741 1.00 0.00 O ATOM 1019 CB ASN A 69 8.998 -15.743 3.101 1.00 0.00 C ATOM 1020 CG ASN A 69 8.041 -15.174 4.148 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.826 -15.773 5.199 1.00 0.00 O ATOM 1022 ND2 ASN A 69 7.459 -14.010 3.915 1.00 0.00 N ATOM 0 H ASN A 69 10.451 -13.428 4.265 1.00 0.00 H new ATOM 0 HA ASN A 69 10.966 -15.634 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.453 -15.857 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.300 -16.741 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.829 -13.607 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.640 -13.515 3.041 1.00 0.00 H new ATOM 1029 N ALA A 70 11.143 -13.412 1.112 1.00 0.00 N ATOM 1030 CA ALA A 70 11.173 -12.298 0.178 1.00 0.00 C ATOM 1031 C ALA A 70 10.062 -12.340 -0.860 1.00 0.00 C ATOM 1032 O ALA A 70 9.680 -11.283 -1.352 1.00 0.00 O ATOM 1033 CB ALA A 70 12.498 -12.291 -0.572 1.00 0.00 C ATOM 0 H ALA A 70 12.037 -13.898 1.179 1.00 0.00 H new ATOM 0 HA ALA A 70 11.038 -11.402 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.516 -11.455 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.318 -12.188 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.610 -13.226 -1.122 1.00 0.00 H new ATOM 1039 N ASP A 71 9.574 -13.528 -1.205 1.00 0.00 N ATOM 1040 CA ASP A 71 8.474 -13.688 -2.152 1.00 0.00 C ATOM 1041 C ASP A 71 7.258 -12.861 -1.727 1.00 0.00 C ATOM 1042 O ASP A 71 6.533 -12.332 -2.573 1.00 0.00 O ATOM 1043 CB ASP A 71 8.038 -15.152 -2.280 1.00 0.00 C ATOM 1044 CG ASP A 71 6.856 -15.276 -3.258 1.00 0.00 C ATOM 1045 OD1 ASP A 71 7.063 -15.110 -4.484 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.724 -15.578 -2.806 1.00 0.00 O ATOM 0 H ASP A 71 9.931 -14.409 -0.835 1.00 0.00 H new ATOM 0 HA ASP A 71 8.846 -13.339 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.874 -15.758 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.752 -15.540 -1.302 1.00 0.00 H new ATOM 1051 N ASP A 72 7.045 -12.724 -0.412 1.00 0.00 N ATOM 1052 CA ASP A 72 5.945 -11.927 0.130 1.00 0.00 C ATOM 1053 C ASP A 72 6.162 -10.415 -0.058 1.00 0.00 C ATOM 1054 O ASP A 72 5.212 -9.637 0.057 1.00 0.00 O ATOM 1055 CB ASP A 72 5.760 -12.252 1.613 1.00 0.00 C ATOM 1056 CG ASP A 72 4.520 -11.560 2.201 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.384 -11.867 1.764 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.681 -10.759 3.154 1.00 0.00 O ATOM 0 H ASP A 72 7.629 -13.162 0.301 1.00 0.00 H new ATOM 0 HA ASP A 72 5.045 -12.189 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.668 -13.331 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.646 -11.941 2.166 1.00 0.00 H new ATOM 1063 N TYR A 73 7.391 -9.985 -0.366 1.00 0.00 N ATOM 1064 CA TYR A 73 7.827 -8.603 -0.452 1.00 0.00 C ATOM 1065 C TYR A 73 8.020 -8.218 -1.919 1.00 0.00 C ATOM 1066 O TYR A 73 8.212 -9.073 -2.789 1.00 0.00 O ATOM 1067 CB TYR A 73 9.151 -8.340 0.307 1.00 0.00 C ATOM 1068 CG TYR A 73 9.187 -8.672 1.789 1.00 0.00 C ATOM 1069 CD1 TYR A 73 9.025 -10.000 2.224 1.00 0.00 C ATOM 1070 CD2 TYR A 73 9.414 -7.660 2.744 1.00 0.00 C ATOM 1071 CE1 TYR A 73 9.017 -10.314 3.592 1.00 0.00 C ATOM 1072 CE2 TYR A 73 9.397 -7.962 4.117 1.00 0.00 C ATOM 1073 CZ TYR A 73 9.179 -9.291 4.551 1.00 0.00 C ATOM 1074 OH TYR A 73 9.113 -9.591 5.879 1.00 0.00 O ATOM 0 H TYR A 73 8.146 -10.639 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 73 7.050 -7.998 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.940 -8.910 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.401 -7.285 0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.905 -10.788 1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.602 -6.647 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.887 -11.338 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.551 -7.177 4.843 1.00 0.00 H new ATOM 0 HH TYR A 73 9.920 -10.079 6.145 1.00 0.00 H new ATOM 1084 N ASP A 74 8.028 -6.912 -2.189 1.00 0.00 N ATOM 1085 CA ASP A 74 8.140 -6.386 -3.540 1.00 0.00 C ATOM 1086 C ASP A 74 9.552 -5.904 -3.849 1.00 0.00 C ATOM 1087 O ASP A 74 9.880 -5.743 -5.016 1.00 0.00 O ATOM 1088 CB ASP A 74 7.165 -5.213 -3.717 1.00 0.00 C ATOM 1089 CG ASP A 74 5.712 -5.597 -3.414 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.334 -5.547 -2.218 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.960 -5.937 -4.358 1.00 0.00 O ATOM 0 H ASP A 74 7.956 -6.191 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 74 7.898 -7.196 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.464 -4.396 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.232 -4.842 -4.740 1.00 0.00 H new ATOM 1096 N VAL A 75 10.412 -5.637 -2.864 1.00 0.00 N ATOM 1097 CA VAL A 75 11.694 -4.976 -3.100 1.00 0.00 C ATOM 1098 C VAL A 75 12.681 -5.533 -2.067 1.00 0.00 C ATOM 1099 O VAL A 75 12.394 -5.565 -0.870 1.00 0.00 O ATOM 1100 CB VAL A 75 11.447 -3.458 -3.022 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.657 -2.526 -2.882 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.545 -2.878 -4.124 1.00 0.00 C ATOM 0 H VAL A 75 10.240 -5.872 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 75 12.130 -5.165 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 75 10.932 -3.457 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.316 -1.491 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.198 -2.767 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.318 -2.656 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.436 -1.804 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.994 -3.067 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.564 -3.352 -4.079 1.00 0.00 H new ATOM 1112 N VAL A 76 13.856 -5.976 -2.496 1.00 0.00 N ATOM 1113 CA VAL A 76 14.884 -6.514 -1.632 1.00 0.00 C ATOM 1114 C VAL A 76 16.132 -5.714 -1.927 1.00 0.00 C ATOM 1115 O VAL A 76 16.487 -5.501 -3.089 1.00 0.00 O ATOM 1116 CB VAL A 76 15.072 -8.015 -1.935 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.493 -8.539 -1.678 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.082 -8.834 -1.094 1.00 0.00 C ATOM 0 H VAL A 76 14.121 -5.968 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 76 14.631 -6.437 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 76 14.886 -8.130 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.538 -9.602 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.200 -7.996 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.751 -8.391 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.214 -9.895 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.266 -8.651 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.063 -8.538 -1.342 1.00 0.00 H new ATOM 1128 N ILE A 77 16.798 -5.324 -0.853 1.00 0.00 N ATOM 1129 CA ILE A 77 17.988 -4.516 -0.867 1.00 0.00 C ATOM 1130 C ILE A 77 18.930 -5.216 0.090 1.00 0.00 C ATOM 1131 O ILE A 77 18.941 -4.962 1.292 1.00 0.00 O ATOM 1132 CB ILE A 77 17.634 -3.078 -0.455 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.528 -2.452 -1.326 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.891 -2.210 -0.493 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.893 -2.282 -2.811 1.00 0.00 C ATOM 0 H ILE A 77 16.504 -5.578 0.090 1.00 0.00 H new ATOM 0 HA ILE A 77 18.457 -4.421 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 77 17.238 -3.124 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.635 -3.072 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.271 -1.475 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.638 -1.191 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.632 -2.612 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.301 -2.207 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.054 -1.834 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.765 -1.635 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.119 -3.256 -3.244 1.00 0.00 H new ATOM 1147 N SER A 78 19.666 -6.196 -0.410 1.00 0.00 N ATOM 1148 CA SER A 78 20.719 -6.777 0.394 1.00 0.00 C ATOM 1149 C SER A 78 21.842 -5.734 0.557 1.00 0.00 C ATOM 1150 O SER A 78 21.908 -4.758 -0.187 1.00 0.00 O ATOM 1151 CB SER A 78 21.059 -8.139 -0.222 1.00 0.00 C ATOM 1152 OG SER A 78 22.273 -8.666 0.263 1.00 0.00 O ATOM 0 H SER A 78 19.556 -6.594 -1.343 1.00 0.00 H new ATOM 0 HA SER A 78 20.450 -7.007 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.252 -8.841 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.118 -8.039 -1.306 1.00 0.00 H new ATOM 0 HG SER A 78 22.945 -8.650 -0.450 1.00 0.00 H new ATOM 1158 N LEU A 79 22.702 -5.889 1.561 1.00 0.00 N ATOM 1159 CA LEU A 79 23.940 -5.116 1.706 1.00 0.00 C ATOM 1160 C LEU A 79 25.092 -6.112 1.939 1.00 0.00 C ATOM 1161 O LEU A 79 26.125 -5.765 2.515 1.00 0.00 O ATOM 1162 CB LEU A 79 23.859 -4.051 2.825 1.00 0.00 C ATOM 1163 CG LEU A 79 22.920 -2.840 2.622 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.425 -3.143 2.762 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.303 -1.714 3.592 1.00 0.00 C ATOM 0 H LEU A 79 22.559 -6.566 2.311 1.00 0.00 H new ATOM 0 HA LEU A 79 24.115 -4.546 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.556 -4.556 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.865 -3.666 2.991 1.00 0.00 H new ATOM 0 HG LEU A 79 23.064 -2.539 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.852 -2.230 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.134 -3.888 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.224 -3.527 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.637 -0.864 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.212 -2.071 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.332 -1.406 3.404 1.00 0.00 H new ATOM 1177 N CYS A 80 24.900 -7.379 1.541 1.00 0.00 N ATOM 1178 CA CYS A 80 25.848 -8.463 1.766 1.00 0.00 C ATOM 1179 C CYS A 80 27.130 -8.300 0.927 1.00 0.00 C ATOM 1180 O CYS A 80 28.080 -9.052 1.149 1.00 0.00 O ATOM 1181 CB CYS A 80 25.172 -9.819 1.499 1.00 0.00 C ATOM 1182 SG CYS A 80 23.808 -10.088 2.671 1.00 0.00 S ATOM 0 H CYS A 80 24.061 -7.677 1.044 1.00 0.00 H new ATOM 0 HA CYS A 80 26.157 -8.425 2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.793 -9.849 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.903 -10.622 1.592 1.00 0.00 H new ATOM 0 HG CYS A 80 22.703 -9.629 2.163 1.00 0.00 H new ATOM 1188 N GLY A 81 27.178 -7.348 -0.011 1.00 0.00 N ATOM 1189 CA GLY A 81 28.373 -7.034 -0.790 1.00 0.00 C ATOM 1190 C GLY A 81 28.242 -7.498 -2.238 1.00 0.00 C ATOM 1191 O GLY A 81 29.256 -7.700 -2.908 1.00 0.00 O ATOM 0 H GLY A 81 26.374 -6.768 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.550 -5.959 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.241 -7.510 -0.333 1.00 0.00 H new ATOM 1195 N CYS A 82 27.002 -7.651 -2.710 1.00 0.00 N ATOM 1196 CA CYS A 82 26.610 -8.274 -3.963 1.00 0.00 C ATOM 1197 C CYS A 82 27.152 -9.712 -4.108 1.00 0.00 C ATOM 1198 O CYS A 82 27.880 -10.225 -3.256 1.00 0.00 O ATOM 1199 CB CYS A 82 26.971 -7.337 -5.126 1.00 0.00 C ATOM 1200 SG CYS A 82 25.839 -7.575 -6.528 1.00 0.00 S ATOM 0 H CYS A 82 26.194 -7.317 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 82 25.529 -8.409 -3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.927 -6.301 -4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.996 -7.526 -5.445 1.00 0.00 H new ATOM 0 HG CYS A 82 26.168 -6.769 -7.493 1.00 0.00 H new ATOM 1206 N GLY A 83 26.723 -10.395 -5.174 1.00 0.00 N ATOM 1207 CA GLY A 83 27.084 -11.784 -5.481 1.00 0.00 C ATOM 1208 C GLY A 83 26.699 -12.794 -4.394 1.00 0.00 C ATOM 1209 O GLY A 83 27.216 -13.912 -4.373 1.00 0.00 O ATOM 0 H GLY A 83 26.097 -9.986 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.603 -12.073 -6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.160 -11.839 -5.646 1.00 0.00 H new ATOM 1213 N VAL A 84 25.808 -12.405 -3.482 1.00 0.00 N ATOM 1214 CA VAL A 84 25.310 -13.229 -2.395 1.00 0.00 C ATOM 1215 C VAL A 84 24.374 -14.282 -2.990 1.00 0.00 C ATOM 1216 O VAL A 84 23.518 -13.980 -3.826 1.00 0.00 O ATOM 1217 CB VAL A 84 24.670 -12.340 -1.299 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.751 -11.234 -1.852 1.00 0.00 C ATOM 1219 CG2 VAL A 84 23.944 -13.157 -0.214 1.00 0.00 C ATOM 0 H VAL A 84 25.401 -11.470 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 84 26.114 -13.762 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 84 25.518 -11.840 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.341 -10.654 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.325 -10.577 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.936 -11.687 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 84 23.516 -12.480 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 84 23.148 -13.744 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 84 24.653 -13.826 0.273 1.00 0.00 H new ATOM 1229 N ASN A 85 24.517 -15.520 -2.520 1.00 0.00 N ATOM 1230 CA ASN A 85 23.635 -16.639 -2.850 1.00 0.00 C ATOM 1231 C ASN A 85 22.360 -16.520 -2.007 1.00 0.00 C ATOM 1232 O ASN A 85 22.090 -17.374 -1.159 1.00 0.00 O ATOM 1233 CB ASN A 85 24.354 -17.989 -2.638 1.00 0.00 C ATOM 1234 CG ASN A 85 25.514 -18.193 -3.605 1.00 0.00 C ATOM 1235 OD1 ASN A 85 26.673 -17.995 -3.246 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.244 -18.572 -4.845 1.00 0.00 N ATOM 0 H ASN A 85 25.269 -15.780 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 85 23.361 -16.603 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.725 -18.042 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.637 -18.801 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 85 26.002 -18.703 -5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.278 -18.733 -5.130 1.00 0.00 H new ATOM 1243 N LEU A 86 21.602 -15.429 -2.178 1.00 0.00 N ATOM 1244 CA LEU A 86 20.285 -15.292 -1.545 1.00 0.00 C ATOM 1245 C LEU A 86 19.397 -16.454 -2.039 1.00 0.00 C ATOM 1246 O LEU A 86 19.567 -16.874 -3.191 1.00 0.00 O ATOM 1247 CB LEU A 86 19.596 -13.957 -1.896 1.00 0.00 C ATOM 1248 CG LEU A 86 20.368 -12.674 -1.544 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.669 -11.449 -2.138 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.524 -12.445 -0.033 1.00 0.00 C ATOM 0 H LEU A 86 21.878 -14.630 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 86 20.423 -15.313 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.392 -13.950 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.632 -13.926 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 86 21.363 -12.808 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.228 -10.550 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.621 -11.547 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.659 -11.376 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.078 -11.522 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.539 -12.368 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.066 -13.282 0.408 1.00 0.00 H new ATOM 1262 N PRO A 87 18.448 -16.966 -1.231 1.00 0.00 N ATOM 1263 CA PRO A 87 17.507 -17.989 -1.686 1.00 0.00 C ATOM 1264 C PRO A 87 16.745 -17.548 -2.948 1.00 0.00 C ATOM 1265 O PRO A 87 16.520 -16.349 -3.135 1.00 0.00 O ATOM 1266 CB PRO A 87 16.552 -18.244 -0.522 1.00 0.00 C ATOM 1267 CG PRO A 87 17.322 -17.756 0.707 1.00 0.00 C ATOM 1268 CD PRO A 87 18.236 -16.654 0.172 1.00 0.00 C ATOM 0 HA PRO A 87 18.037 -18.899 -1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.616 -17.700 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.298 -19.301 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.647 -17.375 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.897 -18.563 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.776 -15.673 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.181 -16.631 0.715 1.00 0.00 H new ATOM 1276 N PRO A 88 16.243 -18.486 -3.770 1.00 0.00 N ATOM 1277 CA PRO A 88 15.703 -18.179 -5.091 1.00 0.00 C ATOM 1278 C PRO A 88 14.377 -17.403 -5.109 1.00 0.00 C ATOM 1279 O PRO A 88 13.882 -17.083 -6.191 1.00 0.00 O ATOM 1280 CB PRO A 88 15.606 -19.526 -5.820 1.00 0.00 C ATOM 1281 CG PRO A 88 15.447 -20.529 -4.683 1.00 0.00 C ATOM 1282 CD PRO A 88 16.311 -19.927 -3.576 1.00 0.00 C ATOM 0 HA PRO A 88 16.371 -17.479 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.757 -19.554 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.498 -19.728 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.406 -20.629 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.791 -21.523 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.939 -20.208 -2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.339 -20.284 -3.642 1.00 0.00 H new ATOM 1290 N GLU A 89 13.784 -17.076 -3.958 1.00 0.00 N ATOM 1291 CA GLU A 89 12.659 -16.167 -3.888 1.00 0.00 C ATOM 1292 C GLU A 89 13.098 -14.716 -3.844 1.00 0.00 C ATOM 1293 O GLU A 89 12.352 -13.861 -4.298 1.00 0.00 O ATOM 1294 CB GLU A 89 11.762 -16.506 -2.701 1.00 0.00 C ATOM 1295 CG GLU A 89 12.425 -16.548 -1.323 1.00 0.00 C ATOM 1296 CD GLU A 89 11.389 -16.919 -0.250 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.434 -16.132 -0.050 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.539 -17.981 0.401 1.00 0.00 O ATOM 0 H GLU A 89 14.078 -17.440 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 89 12.081 -16.296 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.954 -15.775 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.305 -17.478 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.236 -17.276 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.867 -15.578 -1.093 1.00 0.00 H new ATOM 1305 N TRP A 90 14.309 -14.422 -3.378 1.00 0.00 N ATOM 1306 CA TRP A 90 14.848 -13.071 -3.263 1.00 0.00 C ATOM 1307 C TRP A 90 15.313 -12.513 -4.622 1.00 0.00 C ATOM 1308 O TRP A 90 16.175 -11.631 -4.684 1.00 0.00 O ATOM 1309 CB TRP A 90 15.976 -13.001 -2.231 1.00 0.00 C ATOM 1310 CG TRP A 90 15.691 -13.429 -0.815 1.00 0.00 C ATOM 1311 CD1 TRP A 90 15.353 -14.660 -0.367 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.710 -12.599 0.381 1.00 0.00 C ATOM 1313 NE1 TRP A 90 15.105 -14.619 0.996 1.00 0.00 N ATOM 1314 CE2 TRP A 90 15.268 -13.353 1.501 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.976 -11.242 0.596 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.070 -12.764 2.759 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.788 -10.626 1.840 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.330 -11.392 2.930 1.00 0.00 C ATOM 0 H TRP A 90 14.961 -15.139 -3.061 1.00 0.00 H new ATOM 0 HA TRP A 90 14.031 -12.439 -2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.800 -13.611 -2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.331 -11.971 -2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.286 -15.545 -0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.835 -15.429 1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.340 -10.647 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.721 -13.359 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.992 -9.573 1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 90 15.179 -10.928 3.893 1.00 0.00 H new ATOM 1329 N VAL A 91 14.747 -13.036 -5.707 1.00 0.00 N ATOM 1330 CA VAL A 91 14.880 -12.524 -7.053 1.00 0.00 C ATOM 1331 C VAL A 91 13.518 -12.306 -7.747 1.00 0.00 C ATOM 1332 O VAL A 91 13.506 -11.809 -8.875 1.00 0.00 O ATOM 1333 CB VAL A 91 15.837 -13.435 -7.849 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.293 -13.294 -7.373 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.462 -14.920 -7.806 1.00 0.00 C ATOM 0 H VAL A 91 14.157 -13.867 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 91 15.319 -11.527 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 91 15.739 -13.089 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.933 -13.953 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.619 -12.262 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.360 -13.567 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.182 -15.494 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.471 -15.268 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.465 -15.056 -8.226 1.00 0.00 H new ATOM 1345 N THR A 92 12.371 -12.635 -7.129 1.00 0.00 N ATOM 1346 CA THR A 92 11.056 -12.487 -7.771 1.00 0.00 C ATOM 1347 C THR A 92 10.465 -11.065 -7.645 1.00 0.00 C ATOM 1348 O THR A 92 9.484 -10.723 -8.310 1.00 0.00 O ATOM 1349 CB THR A 92 10.095 -13.551 -7.212 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.900 -13.389 -5.820 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.669 -14.955 -7.443 1.00 0.00 C ATOM 0 H THR A 92 12.330 -13.007 -6.180 1.00 0.00 H new ATOM 0 HA THR A 92 11.193 -12.643 -8.841 1.00 0.00 H new ATOM 0 HB THR A 92 9.144 -13.430 -7.731 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.284 -14.078 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.981 -15.700 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.804 -15.122 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.631 -15.042 -6.938 1.00 0.00 H new ATOM 1359 N GLN A 93 11.062 -10.243 -6.785 1.00 0.00 N ATOM 1360 CA GLN A 93 10.711 -8.894 -6.397 1.00 0.00 C ATOM 1361 C GLN A 93 10.773 -7.940 -7.607 1.00 0.00 C ATOM 1362 O GLN A 93 11.444 -8.206 -8.609 1.00 0.00 O ATOM 1363 CB GLN A 93 11.737 -8.464 -5.322 1.00 0.00 C ATOM 1364 CG GLN A 93 11.693 -9.167 -3.950 1.00 0.00 C ATOM 1365 CD GLN A 93 11.954 -10.635 -4.128 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.960 -10.991 -4.713 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.027 -11.484 -3.766 1.00 0.00 N ATOM 0 H GLN A 93 11.900 -10.550 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 93 9.692 -8.856 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.734 -8.607 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.613 -7.394 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.438 -8.733 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.720 -9.014 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.195 -11.153 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.136 -12.477 -3.973 1.00 0.00 H new ATOM 1376 N GLU A 94 10.106 -6.790 -7.483 1.00 0.00 N ATOM 1377 CA GLU A 94 10.188 -5.658 -8.390 1.00 0.00 C ATOM 1378 C GLU A 94 11.606 -5.083 -8.348 1.00 0.00 C ATOM 1379 O GLU A 94 12.178 -4.797 -9.402 1.00 0.00 O ATOM 1380 CB GLU A 94 9.096 -4.633 -8.014 1.00 0.00 C ATOM 1381 CG GLU A 94 9.491 -3.167 -8.184 1.00 0.00 C ATOM 1382 CD GLU A 94 8.265 -2.241 -8.107 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.754 -1.979 -6.991 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.809 -1.759 -9.174 1.00 0.00 O ATOM 0 H GLU A 94 9.465 -6.622 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 94 10.001 -5.958 -9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.213 -4.827 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.809 -4.797 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.207 -2.890 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.990 -3.032 -9.143 1.00 0.00 H new ATOM 1391 N ILE A 95 12.196 -4.976 -7.149 1.00 0.00 N ATOM 1392 CA ILE A 95 13.609 -4.630 -7.003 1.00 0.00 C ATOM 1393 C ILE A 95 14.348 -5.758 -6.298 1.00 0.00 C ATOM 1394 O ILE A 95 13.895 -6.262 -5.274 1.00 0.00 O ATOM 1395 CB ILE A 95 13.820 -3.328 -6.199 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.247 -2.065 -6.846 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.310 -3.058 -5.905 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.904 -1.591 -8.145 1.00 0.00 C ATOM 0 H ILE A 95 11.710 -5.126 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 95 14.001 -4.476 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 95 13.265 -3.520 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.189 -2.236 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.308 -1.254 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.407 -2.132 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.722 -3.884 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.856 -2.967 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.404 -0.689 -8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.957 -1.375 -7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.820 -2.371 -8.901 1.00 0.00 H new ATOM 1410 N PHE A 96 15.517 -6.092 -6.823 1.00 0.00 N ATOM 1411 CA PHE A 96 16.497 -6.926 -6.161 1.00 0.00 C ATOM 1412 C PHE A 96 17.774 -6.150 -6.441 1.00 0.00 C ATOM 1413 O PHE A 96 18.191 -6.011 -7.596 1.00 0.00 O ATOM 1414 CB PHE A 96 16.587 -8.393 -6.613 1.00 0.00 C ATOM 1415 CG PHE A 96 17.947 -9.003 -6.265 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.546 -8.754 -5.010 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.685 -9.697 -7.243 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.877 -9.127 -4.757 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.002 -10.122 -6.971 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.602 -9.828 -5.734 1.00 0.00 C ATOM 0 H PHE A 96 15.814 -5.779 -7.747 1.00 0.00 H new ATOM 0 HA PHE A 96 16.248 -7.075 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.795 -8.971 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.424 -8.454 -7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.972 -8.270 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.241 -9.905 -8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.341 -8.875 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.552 -10.676 -7.717 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.617 -10.140 -5.536 1.00 0.00 H new ATOM 1430 N GLU A 97 18.332 -5.574 -5.387 1.00 0.00 N ATOM 1431 CA GLU A 97 19.553 -4.806 -5.427 1.00 0.00 C ATOM 1432 C GLU A 97 20.413 -5.278 -4.253 1.00 0.00 C ATOM 1433 O GLU A 97 19.932 -5.933 -3.318 1.00 0.00 O ATOM 1434 CB GLU A 97 19.215 -3.299 -5.358 1.00 0.00 C ATOM 1435 CG GLU A 97 19.730 -2.507 -6.562 1.00 0.00 C ATOM 1436 CD GLU A 97 21.261 -2.319 -6.551 1.00 0.00 C ATOM 1437 OE1 GLU A 97 22.002 -3.326 -6.651 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.726 -1.157 -6.467 1.00 0.00 O ATOM 0 H GLU A 97 17.929 -5.634 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 97 20.108 -4.954 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.134 -3.179 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.641 -2.880 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.439 -3.020 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.250 -1.529 -6.579 1.00 0.00 H new ATOM 1445 N ASP A 98 21.689 -4.925 -4.301 1.00 0.00 N ATOM 1446 CA ASP A 98 22.631 -5.139 -3.223 1.00 0.00 C ATOM 1447 C ASP A 98 23.480 -3.887 -3.067 1.00 0.00 C ATOM 1448 O ASP A 98 24.405 -3.617 -3.846 1.00 0.00 O ATOM 1449 CB ASP A 98 23.482 -6.389 -3.383 1.00 0.00 C ATOM 1450 CG ASP A 98 24.198 -6.694 -2.057 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.068 -5.924 -1.598 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.951 -7.778 -1.486 1.00 0.00 O ATOM 0 H ASP A 98 22.104 -4.470 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 98 22.061 -5.321 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.857 -7.233 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 98 24.213 -6.245 -4.179 1.00 0.00 H new ATOM 1457 N TRP A 99 23.107 -3.081 -2.077 1.00 0.00 N ATOM 1458 CA TRP A 99 23.820 -1.895 -1.648 1.00 0.00 C ATOM 1459 C TRP A 99 25.042 -2.346 -0.859 1.00 0.00 C ATOM 1460 O TRP A 99 25.090 -2.253 0.363 1.00 0.00 O ATOM 1461 CB TRP A 99 22.859 -0.965 -0.893 1.00 0.00 C ATOM 1462 CG TRP A 99 21.777 -0.370 -1.740 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.644 -0.463 -3.086 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.607 0.365 -1.286 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.457 0.108 -3.481 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.744 0.573 -2.403 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.171 0.840 -0.029 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.477 1.141 -2.266 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.900 1.424 0.116 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.045 1.535 -0.993 1.00 0.00 C ATOM 0 H TRP A 99 22.262 -3.249 -1.532 1.00 0.00 H new ATOM 0 HA TRP A 99 24.189 -1.299 -2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.399 -1.523 -0.078 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.435 -0.157 -0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.364 -0.918 -3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.146 0.177 -4.450 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.821 0.754 0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.840 1.275 -3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.581 1.788 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.047 1.927 -0.863 1.00 0.00 H new ATOM 1481 N GLN A 100 26.013 -2.858 -1.608 1.00 0.00 N ATOM 1482 CA GLN A 100 27.374 -3.260 -1.275 1.00 0.00 C ATOM 1483 C GLN A 100 28.222 -2.152 -0.601 1.00 0.00 C ATOM 1484 O GLN A 100 29.351 -1.874 -1.014 1.00 0.00 O ATOM 1485 CB GLN A 100 28.015 -3.750 -2.582 1.00 0.00 C ATOM 1486 CG GLN A 100 28.002 -2.749 -3.762 1.00 0.00 C ATOM 1487 CD GLN A 100 27.941 -3.458 -5.113 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.960 -3.707 -5.754 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.745 -3.793 -5.578 1.00 0.00 N ATOM 0 H GLN A 100 25.837 -3.022 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 100 27.338 -4.046 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.050 -4.024 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.502 -4.659 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.145 -2.083 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.896 -2.127 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.909 -3.580 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.662 -4.264 -6.479 1.00 0.00 H new ATOM 1498 N LEU A 101 27.642 -1.440 0.361 1.00 0.00 N ATOM 1499 CA LEU A 101 28.187 -0.235 0.958 1.00 0.00 C ATOM 1500 C LEU A 101 29.288 -0.567 1.972 1.00 0.00 C ATOM 1501 O LEU A 101 29.687 -1.725 2.122 1.00 0.00 O ATOM 1502 CB LEU A 101 27.014 0.581 1.581 1.00 0.00 C ATOM 1503 CG LEU A 101 26.538 1.802 0.770 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.591 2.915 0.763 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.187 1.437 -0.675 1.00 0.00 C ATOM 0 H LEU A 101 26.741 -1.703 0.760 1.00 0.00 H new ATOM 0 HA LEU A 101 28.668 0.379 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.166 -0.089 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.320 0.923 2.570 1.00 0.00 H new ATOM 0 HG LEU A 101 25.636 2.160 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.223 3.761 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.788 3.236 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.512 2.542 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.857 2.330 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.066 1.025 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.387 0.696 -0.679 1.00 0.00 H new ATOM 1517 N GLU A 102 29.771 0.470 2.668 1.00 0.00 N ATOM 1518 CA GLU A 102 30.768 0.390 3.728 1.00 0.00 C ATOM 1519 C GLU A 102 30.392 -0.670 4.765 1.00 0.00 C ATOM 1520 O GLU A 102 29.237 -1.072 4.905 1.00 0.00 O ATOM 1521 CB GLU A 102 30.952 1.778 4.376 1.00 0.00 C ATOM 1522 CG GLU A 102 31.653 2.760 3.433 1.00 0.00 C ATOM 1523 CD GLU A 102 31.416 4.229 3.841 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.383 4.809 3.422 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.281 4.810 4.540 1.00 0.00 O ATOM 0 H GLU A 102 29.460 1.426 2.496 1.00 0.00 H new ATOM 0 HA GLU A 102 31.719 0.083 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.979 2.178 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.534 1.677 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.723 2.554 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.293 2.604 2.416 1.00 0.00 H new ATOM 1532 N ASP A 103 31.391 -1.088 5.524 1.00 0.00 N ATOM 1533 CA ASP A 103 31.378 -2.231 6.433 1.00 0.00 C ATOM 1534 C ASP A 103 31.912 -1.772 7.793 1.00 0.00 C ATOM 1535 O ASP A 103 33.121 -1.822 8.033 1.00 0.00 O ATOM 1536 CB ASP A 103 32.203 -3.368 5.818 1.00 0.00 C ATOM 1537 CG ASP A 103 32.226 -4.589 6.746 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.143 -4.996 7.218 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.311 -5.174 6.973 1.00 0.00 O ATOM 0 H ASP A 103 32.292 -0.610 5.525 1.00 0.00 H new ATOM 0 HA ASP A 103 30.369 -2.615 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.782 -3.648 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.222 -3.026 5.634 1.00 0.00 H new ATOM 1544 N PRO A 104 31.043 -1.206 8.653 1.00 0.00 N ATOM 1545 CA PRO A 104 31.414 -0.529 9.887 1.00 0.00 C ATOM 1546 C PRO A 104 31.728 -1.534 11.008 1.00 0.00 C ATOM 1547 O PRO A 104 31.001 -1.654 11.992 1.00 0.00 O ATOM 1548 CB PRO A 104 30.260 0.439 10.189 1.00 0.00 C ATOM 1549 CG PRO A 104 29.058 -0.317 9.633 1.00 0.00 C ATOM 1550 CD PRO A 104 29.612 -1.086 8.441 1.00 0.00 C ATOM 0 HA PRO A 104 32.342 0.036 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 104 30.161 0.635 11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.398 1.403 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.633 -0.990 10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.264 0.366 9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.148 -2.069 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.401 -0.561 7.509 1.00 0.00 H new ATOM 1558 N ASP A 105 32.817 -2.281 10.838 1.00 0.00 N ATOM 1559 CA ASP A 105 33.399 -3.205 11.812 1.00 0.00 C ATOM 1560 C ASP A 105 33.894 -2.448 13.059 1.00 0.00 C ATOM 1561 O ASP A 105 35.077 -2.105 13.164 1.00 0.00 O ATOM 1562 CB ASP A 105 34.568 -3.967 11.160 1.00 0.00 C ATOM 1563 CG ASP A 105 35.230 -4.954 12.142 1.00 0.00 C ATOM 1564 OD1 ASP A 105 34.520 -5.563 12.979 1.00 0.00 O ATOM 1565 OD2 ASP A 105 36.464 -5.163 12.045 1.00 0.00 O ATOM 0 H ASP A 105 33.348 -2.257 9.967 1.00 0.00 H new ATOM 0 HA ASP A 105 32.631 -3.912 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 105 34.205 -4.511 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 105 35.312 -3.255 10.804 1.00 0.00 H new ATOM 1570 N GLY A 106 32.982 -2.122 13.983 1.00 0.00 N ATOM 1571 CA GLY A 106 33.293 -1.383 15.209 1.00 0.00 C ATOM 1572 C GLY A 106 33.904 -0.004 14.923 1.00 0.00 C ATOM 1573 O GLY A 106 34.848 0.410 15.601 1.00 0.00 O ATOM 0 H GLY A 106 31.996 -2.368 13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.383 -1.259 15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.987 -1.966 15.815 1.00 0.00 H new ATOM 1577 N GLN A 107 33.417 0.664 13.870 1.00 0.00 N ATOM 1578 CA GLN A 107 33.994 1.886 13.330 1.00 0.00 C ATOM 1579 C GLN A 107 33.942 3.089 14.271 1.00 0.00 C ATOM 1580 O GLN A 107 33.258 3.104 15.299 1.00 0.00 O ATOM 1581 CB GLN A 107 33.263 2.241 12.022 1.00 0.00 C ATOM 1582 CG GLN A 107 34.012 1.725 10.793 1.00 0.00 C ATOM 1583 CD GLN A 107 35.295 2.477 10.428 1.00 0.00 C ATOM 1584 OE1 GLN A 107 35.867 3.216 11.226 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.745 2.323 9.189 1.00 0.00 N ATOM 0 H GLN A 107 32.588 0.355 13.362 1.00 0.00 H new ATOM 0 HA GLN A 107 35.052 1.678 13.169 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.259 1.817 12.040 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.150 3.323 11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.262 0.677 10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.337 1.761 9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 107 35.256 1.705 8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.580 2.823 8.884 1.00 0.00 H new ATOM 1594 N SER A 108 34.657 4.126 13.840 1.00 0.00 N ATOM 1595 CA SER A 108 34.598 5.461 14.414 1.00 0.00 C ATOM 1596 C SER A 108 33.219 6.058 14.104 1.00 0.00 C ATOM 1597 O SER A 108 32.633 5.745 13.061 1.00 0.00 O ATOM 1598 CB SER A 108 35.714 6.333 13.816 1.00 0.00 C ATOM 1599 OG SER A 108 36.986 5.719 14.011 1.00 0.00 O ATOM 0 H SER A 108 35.310 4.055 13.060 1.00 0.00 H new ATOM 0 HA SER A 108 34.743 5.419 15.494 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.535 6.483 12.751 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.704 7.318 14.283 1.00 0.00 H new ATOM 0 HG SER A 108 37.686 6.285 13.623 1.00 0.00 H new ATOM 1605 N LEU A 109 32.717 6.965 14.954 1.00 0.00 N ATOM 1606 CA LEU A 109 31.399 7.582 14.761 1.00 0.00 C ATOM 1607 C LEU A 109 31.297 8.289 13.417 1.00 0.00 C ATOM 1608 O LEU A 109 30.237 8.271 12.807 1.00 0.00 O ATOM 1609 CB LEU A 109 31.045 8.567 15.890 1.00 0.00 C ATOM 1610 CG LEU A 109 30.806 7.950 17.283 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.195 9.014 18.205 1.00 0.00 C ATOM 1612 CD2 LEU A 109 29.898 6.712 17.260 1.00 0.00 C ATOM 0 H LEU A 109 33.209 7.289 15.787 1.00 0.00 H new ATOM 0 HA LEU A 109 30.680 6.763 14.783 1.00 0.00 H new ATOM 0 HB2 LEU A 109 31.850 9.297 15.972 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.148 9.113 15.599 1.00 0.00 H new ATOM 0 HG LEU A 109 31.776 7.616 17.652 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.023 8.585 19.192 1.00 0.00 H new ATOM 0 HD12 LEU A 109 30.880 9.858 18.290 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.248 9.356 17.788 1.00 0.00 H new ATOM 0 HD21 LEU A 109 29.775 6.332 18.274 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.924 6.983 16.853 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.350 5.941 16.636 1.00 0.00 H new ATOM 1624 N GLU A 110 32.390 8.860 12.914 1.00 0.00 N ATOM 1625 CA GLU A 110 32.383 9.555 11.626 1.00 0.00 C ATOM 1626 C GLU A 110 32.004 8.613 10.496 1.00 0.00 C ATOM 1627 O GLU A 110 31.259 8.997 9.593 1.00 0.00 O ATOM 1628 CB GLU A 110 33.759 10.151 11.318 1.00 0.00 C ATOM 1629 CG GLU A 110 34.118 11.204 12.357 1.00 0.00 C ATOM 1630 CD GLU A 110 35.389 11.985 11.975 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.510 11.526 12.302 1.00 0.00 O ATOM 1632 OE2 GLU A 110 35.276 13.069 11.355 1.00 0.00 O ATOM 0 H GLU A 110 33.297 8.855 13.381 1.00 0.00 H new ATOM 0 HA GLU A 110 31.644 10.353 11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.512 9.363 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 110 33.756 10.597 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.286 11.899 12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.265 10.723 13.324 1.00 0.00 H new ATOM 1639 N VAL A 111 32.476 7.368 10.545 1.00 0.00 N ATOM 1640 CA VAL A 111 32.127 6.407 9.526 1.00 0.00 C ATOM 1641 C VAL A 111 30.701 5.945 9.755 1.00 0.00 C ATOM 1642 O VAL A 111 29.970 5.931 8.777 1.00 0.00 O ATOM 1643 CB VAL A 111 33.169 5.284 9.434 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.795 4.278 8.338 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.558 5.867 9.125 1.00 0.00 C ATOM 0 H VAL A 111 33.094 7.014 11.275 1.00 0.00 H new ATOM 0 HA VAL A 111 32.151 6.867 8.538 1.00 0.00 H new ATOM 0 HB VAL A 111 33.191 4.772 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.549 3.492 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.824 3.837 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.746 4.789 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.286 5.058 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.526 6.400 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.848 6.556 9.918 1.00 0.00 H new ATOM 1655 N PHE A 112 30.241 5.704 10.989 1.00 0.00 N ATOM 1656 CA PHE A 112 28.810 5.467 11.224 1.00 0.00 C ATOM 1657 C PHE A 112 27.960 6.576 10.568 1.00 0.00 C ATOM 1658 O PHE A 112 27.049 6.262 9.801 1.00 0.00 O ATOM 1659 CB PHE A 112 28.472 5.361 12.717 1.00 0.00 C ATOM 1660 CG PHE A 112 28.639 3.995 13.354 1.00 0.00 C ATOM 1661 CD1 PHE A 112 29.884 3.597 13.873 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.524 3.143 13.487 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.009 2.361 14.531 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.654 1.909 14.150 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.896 1.520 14.675 1.00 0.00 C ATOM 0 H PHE A 112 30.824 5.668 11.825 1.00 0.00 H new ATOM 0 HA PHE A 112 28.570 4.508 10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.098 6.069 13.260 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.438 5.678 12.856 1.00 0.00 H new ATOM 0 HD1 PHE A 112 30.744 4.241 13.766 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.568 3.438 13.079 1.00 0.00 H new ATOM 0 HE1 PHE A 112 30.967 2.058 14.927 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.797 1.260 14.255 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.994 0.575 15.189 1.00 0.00 H new ATOM 1675 N ARG A 113 28.302 7.857 10.781 1.00 0.00 N ATOM 1676 CA ARG A 113 27.605 8.992 10.155 1.00 0.00 C ATOM 1677 C ARG A 113 27.665 8.893 8.638 1.00 0.00 C ATOM 1678 O ARG A 113 26.672 9.152 7.963 1.00 0.00 O ATOM 1679 CB ARG A 113 28.232 10.347 10.546 1.00 0.00 C ATOM 1680 CG ARG A 113 28.078 10.748 12.019 1.00 0.00 C ATOM 1681 CD ARG A 113 28.644 12.153 12.255 1.00 0.00 C ATOM 1682 NE ARG A 113 28.300 12.639 13.603 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.076 13.328 14.447 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.315 13.692 14.117 1.00 0.00 N ATOM 1685 NH2 ARG A 113 28.592 13.649 15.638 1.00 0.00 N ATOM 0 H ARG A 113 29.070 8.135 11.392 1.00 0.00 H new ATOM 0 HA ARG A 113 26.576 8.945 10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.295 10.318 10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 113 27.786 11.126 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.025 10.721 12.301 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.596 10.029 12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 113 29.727 12.138 12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.250 12.839 11.505 1.00 0.00 H new ATOM 0 HE ARG A 113 27.358 12.425 13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.692 13.445 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.886 14.217 14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.645 13.371 15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.166 14.174 16.297 1.00 0.00 H new ATOM 1699 N THR A 114 28.826 8.545 8.102 1.00 0.00 N ATOM 1700 CA THR A 114 29.030 8.523 6.672 1.00 0.00 C ATOM 1701 C THR A 114 28.218 7.385 6.059 1.00 0.00 C ATOM 1702 O THR A 114 27.555 7.604 5.046 1.00 0.00 O ATOM 1703 CB THR A 114 30.528 8.389 6.368 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.244 9.479 6.925 1.00 0.00 O ATOM 1705 CG2 THR A 114 30.801 8.367 4.864 1.00 0.00 C ATOM 0 H THR A 114 29.644 8.273 8.647 1.00 0.00 H new ATOM 0 HA THR A 114 28.684 9.456 6.227 1.00 0.00 H new ATOM 0 HB THR A 114 30.856 7.447 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.183 9.445 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 114 31.873 8.271 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.283 7.521 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.442 9.293 4.415 1.00 0.00 H new ATOM 1713 N VAL A 115 28.220 6.197 6.673 1.00 0.00 N ATOM 1714 CA VAL A 115 27.577 5.028 6.081 1.00 0.00 C ATOM 1715 C VAL A 115 26.083 5.309 6.053 1.00 0.00 C ATOM 1716 O VAL A 115 25.445 5.190 5.016 1.00 0.00 O ATOM 1717 CB VAL A 115 27.899 3.715 6.838 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.332 2.508 6.074 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.402 3.491 7.088 1.00 0.00 C ATOM 0 H VAL A 115 28.659 6.024 7.577 1.00 0.00 H new ATOM 0 HA VAL A 115 27.962 4.869 5.074 1.00 0.00 H new ATOM 0 HB VAL A 115 27.425 3.814 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.565 1.592 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.251 2.610 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.778 2.465 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.546 2.552 7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.927 3.450 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.798 4.312 7.685 1.00 0.00 H new ATOM 1729 N ARG A 116 25.555 5.798 7.172 1.00 0.00 N ATOM 1730 CA ARG A 116 24.209 6.322 7.297 1.00 0.00 C ATOM 1731 C ARG A 116 23.896 7.294 6.163 1.00 0.00 C ATOM 1732 O ARG A 116 22.934 7.061 5.443 1.00 0.00 O ATOM 1733 CB ARG A 116 24.167 6.948 8.697 1.00 0.00 C ATOM 1734 CG ARG A 116 22.982 7.846 9.037 1.00 0.00 C ATOM 1735 CD ARG A 116 23.351 8.661 10.273 1.00 0.00 C ATOM 1736 NE ARG A 116 23.964 9.962 9.914 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.434 10.881 10.770 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.357 10.687 12.076 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.004 11.993 10.320 1.00 0.00 N ATOM 0 H ARG A 116 26.078 5.839 8.047 1.00 0.00 H new ATOM 0 HA ARG A 116 23.434 5.561 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.195 6.139 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.079 7.530 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 116 22.750 8.505 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.091 7.247 9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.458 8.834 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.045 8.091 10.890 1.00 0.00 H new ATOM 0 HE ARG A 116 24.035 10.179 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.937 9.832 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.718 11.392 12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.087 12.153 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.359 12.687 10.978 1.00 0.00 H new ATOM 1753 N GLY A 117 24.681 8.349 5.961 1.00 0.00 N ATOM 1754 CA GLY A 117 24.351 9.347 4.946 1.00 0.00 C ATOM 1755 C GLY A 117 24.352 8.746 3.543 1.00 0.00 C ATOM 1756 O GLY A 117 23.448 8.999 2.750 1.00 0.00 O ATOM 0 H GLY A 117 25.540 8.535 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.370 9.772 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.070 10.165 4.992 1.00 0.00 H new ATOM 1760 N GLN A 118 25.315 7.876 3.241 1.00 0.00 N ATOM 1761 CA GLN A 118 25.369 7.212 1.953 1.00 0.00 C ATOM 1762 C GLN A 118 24.173 6.299 1.749 1.00 0.00 C ATOM 1763 O GLN A 118 23.583 6.293 0.668 1.00 0.00 O ATOM 1764 CB GLN A 118 26.687 6.450 1.812 1.00 0.00 C ATOM 1765 CG GLN A 118 27.847 7.442 1.676 1.00 0.00 C ATOM 1766 CD GLN A 118 28.842 6.951 0.625 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.669 7.222 -0.563 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.852 6.180 1.003 1.00 0.00 N ATOM 0 H GLN A 118 26.068 7.618 3.878 1.00 0.00 H new ATOM 0 HA GLN A 118 25.325 7.970 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.843 5.811 2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.649 5.798 0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.465 8.423 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.349 7.559 2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.986 5.962 1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.496 5.805 0.306 1.00 0.00 H new ATOM 1777 N VAL A 119 23.768 5.591 2.795 1.00 0.00 N ATOM 1778 CA VAL A 119 22.567 4.774 2.775 1.00 0.00 C ATOM 1779 C VAL A 119 21.371 5.688 2.511 1.00 0.00 C ATOM 1780 O VAL A 119 20.523 5.319 1.707 1.00 0.00 O ATOM 1781 CB VAL A 119 22.432 3.997 4.102 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.044 3.389 4.308 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.447 2.842 4.167 1.00 0.00 C ATOM 0 H VAL A 119 24.267 5.569 3.684 1.00 0.00 H new ATOM 0 HA VAL A 119 22.616 4.029 1.981 1.00 0.00 H new ATOM 0 HB VAL A 119 22.616 4.735 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.017 2.857 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.297 4.182 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.827 2.694 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.332 2.310 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.270 2.155 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.458 3.242 4.097 1.00 0.00 H new ATOM 1793 N LYS A 120 21.290 6.874 3.124 1.00 0.00 N ATOM 1794 CA LYS A 120 20.117 7.731 2.984 1.00 0.00 C ATOM 1795 C LYS A 120 19.866 8.097 1.529 1.00 0.00 C ATOM 1796 O LYS A 120 18.715 8.124 1.102 1.00 0.00 O ATOM 1797 CB LYS A 120 20.198 8.943 3.937 1.00 0.00 C ATOM 1798 CG LYS A 120 20.778 10.285 3.430 1.00 0.00 C ATOM 1799 CD LYS A 120 19.843 11.454 3.787 1.00 0.00 C ATOM 1800 CE LYS A 120 18.529 11.460 2.973 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.619 12.292 1.746 1.00 0.00 N ATOM 0 H LYS A 120 22.023 7.258 3.720 1.00 0.00 H new ATOM 0 HA LYS A 120 19.235 7.171 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.188 9.141 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.790 8.639 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.761 10.452 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.917 10.241 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.603 11.406 4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.369 12.394 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.273 10.437 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.719 11.832 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.749 12.181 1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.734 13.291 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.436 11.988 1.179 1.00 0.00 H new ATOM 1815 N GLU A 121 20.925 8.334 0.758 1.00 0.00 N ATOM 1816 CA GLU A 121 20.785 8.642 -0.653 1.00 0.00 C ATOM 1817 C GLU A 121 20.328 7.407 -1.416 1.00 0.00 C ATOM 1818 O GLU A 121 19.452 7.523 -2.269 1.00 0.00 O ATOM 1819 CB GLU A 121 22.106 9.163 -1.243 1.00 0.00 C ATOM 1820 CG GLU A 121 22.552 10.521 -0.688 1.00 0.00 C ATOM 1821 CD GLU A 121 21.507 11.624 -0.925 1.00 0.00 C ATOM 1822 OE1 GLU A 121 21.541 12.274 -1.997 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.646 11.844 -0.039 1.00 0.00 O ATOM 0 H GLU A 121 21.888 8.317 1.092 1.00 0.00 H new ATOM 0 HA GLU A 121 20.035 9.426 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.890 8.430 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.001 9.242 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.742 10.428 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.493 10.810 -1.155 1.00 0.00 H new ATOM 1830 N ARG A 122 20.875 6.220 -1.127 1.00 0.00 N ATOM 1831 CA ARG A 122 20.438 5.006 -1.812 1.00 0.00 C ATOM 1832 C ARG A 122 18.977 4.712 -1.480 1.00 0.00 C ATOM 1833 O ARG A 122 18.200 4.440 -2.392 1.00 0.00 O ATOM 1834 CB ARG A 122 21.327 3.814 -1.448 1.00 0.00 C ATOM 1835 CG ARG A 122 22.609 3.701 -2.286 1.00 0.00 C ATOM 1836 CD ARG A 122 23.706 4.700 -1.909 1.00 0.00 C ATOM 1837 NE ARG A 122 24.912 4.533 -2.746 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.049 5.237 -2.639 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.144 6.235 -1.765 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.092 4.931 -3.402 1.00 0.00 N ATOM 0 H ARG A 122 21.610 6.079 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 122 20.528 5.169 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.601 3.888 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.750 2.897 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.006 2.691 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.354 3.840 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.326 5.716 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 122 23.971 4.570 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 122 24.877 3.817 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.349 6.470 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 122 27.012 6.766 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.028 4.161 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.957 5.466 -3.322 1.00 0.00 H new ATOM 1854 N VAL A 123 18.575 4.855 -0.216 1.00 0.00 N ATOM 1855 CA VAL A 123 17.195 4.736 0.212 1.00 0.00 C ATOM 1856 C VAL A 123 16.329 5.683 -0.606 1.00 0.00 C ATOM 1857 O VAL A 123 15.373 5.246 -1.241 1.00 0.00 O ATOM 1858 CB VAL A 123 17.116 4.981 1.726 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.686 5.109 2.226 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.765 3.858 2.550 1.00 0.00 C ATOM 0 H VAL A 123 19.219 5.061 0.548 1.00 0.00 H new ATOM 0 HA VAL A 123 16.810 3.732 0.034 1.00 0.00 H new ATOM 0 HB VAL A 123 17.658 5.916 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.691 5.281 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.200 5.947 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.141 4.191 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.677 4.089 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.260 2.915 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.818 3.773 2.283 1.00 0.00 H new ATOM 1870 N GLU A 124 16.680 6.959 -0.645 1.00 0.00 N ATOM 1871 CA GLU A 124 15.866 7.949 -1.309 1.00 0.00 C ATOM 1872 C GLU A 124 15.800 7.702 -2.818 1.00 0.00 C ATOM 1873 O GLU A 124 14.753 7.911 -3.428 1.00 0.00 O ATOM 1874 CB GLU A 124 16.411 9.310 -0.916 1.00 0.00 C ATOM 1875 CG GLU A 124 15.541 10.430 -1.471 1.00 0.00 C ATOM 1876 CD GLU A 124 15.993 11.830 -1.010 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.365 12.002 0.176 1.00 0.00 O ATOM 1878 OE2 GLU A 124 15.970 12.774 -1.836 1.00 0.00 O ATOM 0 H GLU A 124 17.530 7.329 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 124 14.824 7.890 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.458 9.386 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.430 9.418 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.558 10.389 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.509 10.268 -1.162 1.00 0.00 H new ATOM 1885 N ASN A 125 16.874 7.181 -3.414 1.00 0.00 N ATOM 1886 CA ASN A 125 16.884 6.765 -4.811 1.00 0.00 C ATOM 1887 C ASN A 125 15.882 5.644 -5.048 1.00 0.00 C ATOM 1888 O ASN A 125 15.080 5.741 -5.969 1.00 0.00 O ATOM 1889 CB ASN A 125 18.278 6.306 -5.260 1.00 0.00 C ATOM 1890 CG ASN A 125 19.103 7.454 -5.825 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.136 7.668 -7.035 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.763 8.227 -4.976 1.00 0.00 N ATOM 0 H ASN A 125 17.763 7.037 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 125 16.602 7.636 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.804 5.864 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.177 5.526 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.310 9.015 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.724 8.035 -3.975 1.00 0.00 H new ATOM 1899 N LEU A 126 15.900 4.596 -4.217 1.00 0.00 N ATOM 1900 CA LEU A 126 14.946 3.484 -4.312 1.00 0.00 C ATOM 1901 C LEU A 126 13.527 4.006 -4.203 1.00 0.00 C ATOM 1902 O LEU A 126 12.699 3.684 -5.048 1.00 0.00 O ATOM 1903 CB LEU A 126 15.303 2.390 -3.290 1.00 0.00 C ATOM 1904 CG LEU A 126 14.198 1.652 -2.506 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.600 0.184 -2.388 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.006 2.159 -1.075 1.00 0.00 C ATOM 0 H LEU A 126 16.576 4.494 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 126 15.012 3.007 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.880 1.632 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.969 2.843 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 126 13.270 1.817 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.833 -0.360 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.704 -0.246 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.550 0.108 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.212 1.590 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.934 2.034 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.735 3.214 -1.096 1.00 0.00 H new ATOM 1918 N ILE A 127 13.290 4.878 -3.236 1.00 0.00 N ATOM 1919 CA ILE A 127 12.008 5.535 -3.016 1.00 0.00 C ATOM 1920 C ILE A 127 11.588 6.306 -4.264 1.00 0.00 C ATOM 1921 O ILE A 127 10.440 6.181 -4.676 1.00 0.00 O ATOM 1922 CB ILE A 127 12.164 6.418 -1.768 1.00 0.00 C ATOM 1923 CG1 ILE A 127 11.855 5.512 -0.559 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.318 7.694 -1.717 1.00 0.00 C ATOM 1925 CD1 ILE A 127 12.791 5.831 0.598 1.00 0.00 C ATOM 0 H ILE A 127 14.003 5.157 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 127 11.205 4.820 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 127 13.181 6.810 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.820 5.652 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.963 4.465 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.519 8.227 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.571 8.332 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.261 7.432 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.559 5.183 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.823 5.667 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.662 6.872 0.894 1.00 0.00 H new ATOM 1937 N ALA A 128 12.496 7.043 -4.904 1.00 0.00 N ATOM 1938 CA ALA A 128 12.168 7.797 -6.105 1.00 0.00 C ATOM 1939 C ALA A 128 11.670 6.891 -7.239 1.00 0.00 C ATOM 1940 O ALA A 128 10.881 7.346 -8.072 1.00 0.00 O ATOM 1941 CB ALA A 128 13.370 8.641 -6.547 1.00 0.00 C ATOM 0 H ALA A 128 13.467 7.131 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 128 11.345 8.468 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.111 9.200 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.638 9.337 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.216 7.987 -6.757 1.00 0.00 H new ATOM 1947 N LYS A 129 12.102 5.625 -7.278 1.00 0.00 N ATOM 1948 CA LYS A 129 11.614 4.657 -8.248 1.00 0.00 C ATOM 1949 C LYS A 129 10.216 4.154 -7.887 1.00 0.00 C ATOM 1950 O LYS A 129 9.364 4.047 -8.773 1.00 0.00 O ATOM 1951 CB LYS A 129 12.567 3.453 -8.364 1.00 0.00 C ATOM 1952 CG LYS A 129 14.015 3.854 -8.689 1.00 0.00 C ATOM 1953 CD LYS A 129 14.985 2.680 -8.525 1.00 0.00 C ATOM 1954 CE LYS A 129 14.812 1.548 -9.552 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.201 1.945 -10.938 1.00 0.00 N ATOM 0 H LYS A 129 12.800 5.250 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 129 11.568 5.173 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.553 2.896 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.200 2.781 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.067 4.227 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.321 4.671 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.005 3.058 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.864 2.265 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.413 0.692 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.772 1.223 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.062 1.140 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.611 2.743 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.201 2.229 -10.950 1.00 0.00 H new ATOM 1969 N ILE A 130 9.984 3.825 -6.612 1.00 0.00 N ATOM 1970 CA ILE A 130 8.781 3.122 -6.190 1.00 0.00 C ATOM 1971 C ILE A 130 7.629 3.994 -5.703 1.00 0.00 C ATOM 1972 O ILE A 130 6.478 3.667 -6.005 1.00 0.00 O ATOM 1973 CB ILE A 130 9.120 2.031 -5.156 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.845 2.491 -3.876 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.780 0.838 -5.874 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.461 1.349 -3.053 1.00 0.00 C ATOM 0 H ILE A 130 10.627 4.040 -5.850 1.00 0.00 H new ATOM 0 HA ILE A 130 8.401 2.669 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 130 8.172 1.706 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.634 3.191 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.139 3.036 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.022 0.064 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.092 0.435 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.694 1.170 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.951 1.760 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.676 0.659 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.193 0.817 -3.660 1.00 0.00 H new ATOM 1988 N SER A 131 7.889 5.025 -4.911 1.00 0.00 N ATOM 1989 CA SER A 131 6.856 5.819 -4.276 1.00 0.00 C ATOM 1990 C SER A 131 6.092 6.624 -5.333 1.00 0.00 C ATOM 1991 O SER A 131 4.842 6.663 -5.266 1.00 0.00 O ATOM 1992 CB SER A 131 7.482 6.715 -3.216 1.00 0.00 C ATOM 1993 OG SER A 131 8.146 5.899 -2.252 1.00 0.00 O ATOM 1994 OXT SER A 131 6.733 7.227 -6.227 1.00 0.00 O ATOM 0 H SER A 131 8.836 5.334 -4.691 1.00 0.00 H new ATOM 0 HA SER A 131 6.137 5.168 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.189 7.405 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.715 7.320 -2.733 1.00 0.00 H new ATOM 0 HG SER A 131 9.042 5.672 -2.577 1.00 0.00 H new TER 2000 SER A 131