USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 952 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 180:sc= 0.0547 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.933 K(o=0.99,f=-3.3!) USER MOD Set 2.1: A 78 SER OG : rot -93:sc= 1.53 USER MOD Set 2.2: A 80 CYS SG : rot 94:sc= 0.306 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.302 K(o=2.1,f=0.49) USER MOD Set 3.2: A 60 GLN : amide:sc= 1.83 K(o=2.1,f=-3) USER MOD Set 4.1: A 8 CYS SG : rot -145:sc= 0.43 USER MOD Set 4.2: A 15 SER OG : rot 150:sc= -0.64 USER MOD Set 5.1: A 11 ASN : amide:sc= -2.32! C(o=-2.5!,f=-4!) USER MOD Set 5.2: A 43 HIS : no HE2:sc= -1.14! C(o=-2.5!,f=-4.6!) USER MOD Set 5.3: A 45 THR OG1 : rot 112:sc= 0.939 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.142 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.17) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.21) USER MOD Single : A 5 MET CE :methyl 179:sc= -0.149 (180deg=-0.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 13 CYS SG : rot -174:sc= 0.0129 USER MOD Single : A 17 MET CE :methyl -164:sc= -1.1 (180deg=-1.69) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 24 THR OG1 : rot 94:sc= 0.151 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.706 USER MOD Single : A 34 SER OG : rot -78:sc= 1.21 USER MOD Single : A 35 CYS SG : rot -94:sc= 0.303 USER MOD Single : A 49 MET CE :methyl 159:sc= -0.558 (180deg=-1.87) USER MOD Single : A 50 MET CE :methyl 159:sc= -0.201 (180deg=-0.523) USER MOD Single : A 58 SER OG : rot 75:sc= 1.18 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 67 ASN : amide:sc= 0.301 K(o=0.3,f=-0.51) USER MOD Single : A 69 ASN : amide:sc= 0.783 K(o=0.78,f=-0.0053) USER MOD Single : A 73 TYR OH : rot 77:sc= 0.234 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00792 X(o=-0.0079,f=-0.45) USER MOD Single : A 100 GLN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.148 K(o=0.15,f=-2.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.2) USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.768 -1.614 1.463 1.00 0.00 N ATOM 2 CA MET A 1 1.597 -0.855 0.471 1.00 0.00 C ATOM 3 C MET A 1 2.800 -1.721 0.013 1.00 0.00 C ATOM 4 O MET A 1 2.991 -2.800 0.568 1.00 0.00 O ATOM 5 CB MET A 1 1.989 0.532 1.060 1.00 0.00 C ATOM 6 CG MET A 1 2.129 1.648 0.014 1.00 0.00 C ATOM 7 SD MET A 1 0.649 1.941 -0.997 1.00 0.00 S ATOM 8 CE MET A 1 1.210 3.350 -1.993 1.00 0.00 C ATOM 0 H1 MET A 1 -0.203 -1.710 1.103 1.00 0.00 H new ATOM 0 H2 MET A 1 1.178 -2.559 1.608 1.00 0.00 H new ATOM 0 H3 MET A 1 0.753 -1.101 2.367 1.00 0.00 H new ATOM 0 HA MET A 1 1.023 -0.645 -0.431 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.237 0.828 1.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.933 0.432 1.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.391 2.574 0.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.960 1.403 -0.647 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.414 3.656 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.466 4.181 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.088 3.061 -2.571 1.00 0.00 H new ATOM 18 N LYS A 2 3.617 -1.311 -0.981 1.00 0.00 N ATOM 19 CA LYS A 2 4.731 -2.154 -1.478 1.00 0.00 C ATOM 20 C LYS A 2 5.693 -2.387 -0.328 1.00 0.00 C ATOM 21 O LYS A 2 6.177 -1.408 0.229 1.00 0.00 O ATOM 22 CB LYS A 2 5.496 -1.545 -2.682 1.00 0.00 C ATOM 23 CG LYS A 2 4.605 -1.141 -3.863 1.00 0.00 C ATOM 24 CD LYS A 2 4.100 0.322 -3.784 1.00 0.00 C ATOM 25 CE LYS A 2 5.043 1.372 -4.408 1.00 0.00 C ATOM 26 NZ LYS A 2 4.718 1.624 -5.843 1.00 0.00 N ATOM 0 H LYS A 2 3.530 -0.411 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 2 4.298 -3.085 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.045 -0.668 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.234 -2.268 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.162 -1.275 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.747 -1.811 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.132 0.384 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.937 0.578 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.969 2.305 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.075 1.030 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.433 2.257 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.713 0.722 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.781 2.069 -5.914 1.00 0.00 H new ATOM 40 N LYS A 3 5.926 -3.631 0.076 1.00 0.00 N ATOM 41 CA LYS A 3 6.671 -3.900 1.300 1.00 0.00 C ATOM 42 C LYS A 3 8.127 -4.053 0.919 1.00 0.00 C ATOM 43 O LYS A 3 8.435 -4.708 -0.077 1.00 0.00 O ATOM 44 CB LYS A 3 6.117 -5.114 2.060 1.00 0.00 C ATOM 45 CG LYS A 3 4.588 -5.127 2.193 1.00 0.00 C ATOM 46 CD LYS A 3 4.031 -6.307 3.009 1.00 0.00 C ATOM 47 CE LYS A 3 4.652 -6.447 4.408 1.00 0.00 C ATOM 48 NZ LYS A 3 4.020 -7.537 5.195 1.00 0.00 N ATOM 0 H LYS A 3 5.612 -4.464 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 3 6.565 -3.071 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.434 -6.024 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.558 -5.137 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.268 -4.195 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.149 -5.151 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.952 -6.188 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.198 -7.230 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.720 -6.643 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.548 -5.505 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.643 -7.802 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.107 -7.210 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.867 -8.364 4.583 1.00 0.00 H new ATOM 62 N VAL A 4 8.999 -3.471 1.728 1.00 0.00 N ATOM 63 CA VAL A 4 10.428 -3.478 1.498 1.00 0.00 C ATOM 64 C VAL A 4 11.098 -4.113 2.707 1.00 0.00 C ATOM 65 O VAL A 4 10.566 -4.055 3.818 1.00 0.00 O ATOM 66 CB VAL A 4 10.962 -2.063 1.206 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.409 -2.111 0.707 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.104 -1.324 0.163 1.00 0.00 C ATOM 0 H VAL A 4 8.725 -2.974 2.575 1.00 0.00 H new ATOM 0 HA VAL A 4 10.661 -4.066 0.610 1.00 0.00 H new ATOM 0 HB VAL A 4 10.915 -1.518 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.759 -1.098 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.041 -2.572 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.458 -2.698 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.518 -0.331 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.103 -1.886 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.082 -1.232 0.532 1.00 0.00 H new ATOM 78 N MET A 5 12.275 -4.694 2.500 1.00 0.00 N ATOM 79 CA MET A 5 13.042 -5.357 3.536 1.00 0.00 C ATOM 80 C MET A 5 14.503 -4.988 3.357 1.00 0.00 C ATOM 81 O MET A 5 14.963 -4.908 2.218 1.00 0.00 O ATOM 82 CB MET A 5 12.859 -6.861 3.366 1.00 0.00 C ATOM 83 CG MET A 5 13.618 -7.675 4.414 1.00 0.00 C ATOM 84 SD MET A 5 13.160 -7.318 6.126 1.00 0.00 S ATOM 85 CE MET A 5 11.629 -8.280 6.175 1.00 0.00 C ATOM 0 H MET A 5 12.728 -4.715 1.586 1.00 0.00 H new ATOM 0 HA MET A 5 12.712 -5.056 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.798 -7.102 3.425 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.197 -7.153 2.372 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.452 -8.735 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.686 -7.493 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.186 -8.209 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.929 -7.888 5.437 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.848 -9.324 5.949 1.00 0.00 H new ATOM 95 N PHE A 6 15.224 -4.854 4.466 1.00 0.00 N ATOM 96 CA PHE A 6 16.645 -4.543 4.503 1.00 0.00 C ATOM 97 C PHE A 6 17.303 -5.579 5.421 1.00 0.00 C ATOM 98 O PHE A 6 16.910 -5.681 6.585 1.00 0.00 O ATOM 99 CB PHE A 6 16.841 -3.107 5.006 1.00 0.00 C ATOM 100 CG PHE A 6 16.235 -2.080 4.075 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.945 -1.626 2.950 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.903 -1.678 4.260 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.313 -0.788 2.017 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.268 -0.873 3.309 1.00 0.00 C ATOM 105 CZ PHE A 6 14.976 -0.406 2.192 1.00 0.00 C ATOM 0 H PHE A 6 14.818 -4.963 5.395 1.00 0.00 H new ATOM 0 HA PHE A 6 17.104 -4.594 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.392 -3.007 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.907 -2.907 5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.974 -1.921 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.365 -1.992 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.862 -0.435 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.228 -0.610 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.496 0.242 1.474 1.00 0.00 H new ATOM 115 N VAL A 7 18.281 -6.355 4.947 1.00 0.00 N ATOM 116 CA VAL A 7 18.817 -7.514 5.676 1.00 0.00 C ATOM 117 C VAL A 7 20.302 -7.286 5.964 1.00 0.00 C ATOM 118 O VAL A 7 21.092 -7.228 5.024 1.00 0.00 O ATOM 119 CB VAL A 7 18.620 -8.810 4.854 1.00 0.00 C ATOM 120 CG1 VAL A 7 18.861 -10.043 5.732 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.244 -8.918 4.182 1.00 0.00 C ATOM 0 H VAL A 7 18.727 -6.199 4.043 1.00 0.00 H new ATOM 0 HA VAL A 7 18.279 -7.626 6.618 1.00 0.00 H new ATOM 0 HB VAL A 7 19.357 -8.765 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.718 -10.946 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.880 -10.020 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.157 -10.041 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.183 -9.853 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.465 -8.898 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.106 -8.080 3.499 1.00 0.00 H new ATOM 131 N CYS A 8 20.701 -7.131 7.231 1.00 0.00 N ATOM 132 CA CYS A 8 22.120 -6.952 7.553 1.00 0.00 C ATOM 133 C CYS A 8 22.904 -8.272 7.619 1.00 0.00 C ATOM 134 O CYS A 8 22.363 -9.379 7.691 1.00 0.00 O ATOM 135 CB CYS A 8 22.345 -6.184 8.876 1.00 0.00 C ATOM 136 SG CYS A 8 23.294 -4.667 8.540 1.00 0.00 S ATOM 0 H CYS A 8 20.075 -7.126 8.036 1.00 0.00 H new ATOM 0 HA CYS A 8 22.502 -6.359 6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.387 -5.934 9.331 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.882 -6.812 9.587 1.00 0.00 H new ATOM 0 HG CYS A 8 24.083 -4.418 9.542 1.00 0.00 H new ATOM 142 N LYS A 9 24.218 -8.060 7.644 1.00 0.00 N ATOM 143 CA LYS A 9 25.339 -8.948 7.923 1.00 0.00 C ATOM 144 C LYS A 9 26.358 -7.935 8.443 1.00 0.00 C ATOM 145 O LYS A 9 26.446 -6.849 7.855 1.00 0.00 O ATOM 146 CB LYS A 9 25.809 -9.697 6.662 1.00 0.00 C ATOM 147 CG LYS A 9 26.935 -10.699 6.985 1.00 0.00 C ATOM 148 CD LYS A 9 27.352 -11.529 5.760 1.00 0.00 C ATOM 149 CE LYS A 9 28.475 -12.506 6.150 1.00 0.00 C ATOM 150 NZ LYS A 9 28.929 -13.353 5.011 1.00 0.00 N ATOM 0 H LYS A 9 24.567 -7.124 7.439 1.00 0.00 H new ATOM 0 HA LYS A 9 25.129 -9.762 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.966 -10.226 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.161 -8.979 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.801 -10.157 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.604 -11.369 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.495 -12.081 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.692 -10.870 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.323 -11.941 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.126 -13.149 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.685 -13.991 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.129 -13.916 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.290 -12.745 4.248 1.00 0.00 H new ATOM 164 N ARG A 10 27.155 -8.246 9.466 1.00 0.00 N ATOM 165 CA ARG A 10 27.970 -7.244 10.183 1.00 0.00 C ATOM 166 C ARG A 10 27.031 -6.222 10.831 1.00 0.00 C ATOM 167 O ARG A 10 25.811 -6.378 10.803 1.00 0.00 O ATOM 168 CB ARG A 10 29.108 -6.652 9.298 1.00 0.00 C ATOM 169 CG ARG A 10 30.259 -7.639 9.050 1.00 0.00 C ATOM 170 CD ARG A 10 31.330 -7.504 10.138 1.00 0.00 C ATOM 171 NE ARG A 10 32.318 -8.598 10.069 1.00 0.00 N ATOM 172 CZ ARG A 10 33.525 -8.554 9.488 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.936 -7.470 8.840 1.00 0.00 N ATOM 174 NH2 ARG A 10 34.327 -9.614 9.559 1.00 0.00 N ATOM 0 H ARG A 10 27.259 -9.195 9.826 1.00 0.00 H new ATOM 0 HA ARG A 10 28.527 -7.717 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.690 -6.343 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.503 -5.756 9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.874 -8.659 9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.701 -7.452 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.839 -6.546 10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.855 -7.504 11.119 1.00 0.00 H new ATOM 0 HE ARG A 10 32.055 -9.480 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.330 -6.652 8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.858 -7.455 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 10 34.022 -10.452 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.247 -9.588 9.119 1.00 0.00 H new ATOM 188 N ASN A 11 27.622 -5.235 11.511 1.00 0.00 N ATOM 189 CA ASN A 11 26.934 -4.286 12.385 1.00 0.00 C ATOM 190 C ASN A 11 25.613 -3.808 11.788 1.00 0.00 C ATOM 191 O ASN A 11 25.576 -3.268 10.682 1.00 0.00 O ATOM 192 CB ASN A 11 27.878 -3.122 12.724 1.00 0.00 C ATOM 193 CG ASN A 11 27.311 -2.171 13.774 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.247 -1.587 13.596 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.016 -2.000 14.879 1.00 0.00 N ATOM 0 H ASN A 11 28.628 -5.071 11.465 1.00 0.00 H new ATOM 0 HA ASN A 11 26.669 -4.795 13.312 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.826 -3.524 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.093 -2.561 11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.678 -1.371 15.607 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.898 -2.497 15.003 1.00 0.00 H new ATOM 202 N SER A 12 24.537 -4.018 12.544 1.00 0.00 N ATOM 203 CA SER A 12 23.146 -3.742 12.215 1.00 0.00 C ATOM 204 C SER A 12 22.887 -2.370 11.585 1.00 0.00 C ATOM 205 O SER A 12 21.931 -2.236 10.824 1.00 0.00 O ATOM 206 CB SER A 12 22.389 -3.874 13.531 1.00 0.00 C ATOM 207 OG SER A 12 22.694 -5.148 14.092 1.00 0.00 O ATOM 0 H SER A 12 24.627 -4.418 13.478 1.00 0.00 H new ATOM 0 HA SER A 12 22.818 -4.443 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.677 -3.077 14.217 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.316 -3.779 13.364 1.00 0.00 H new ATOM 0 HG SER A 12 22.218 -5.254 14.942 1.00 0.00 H new ATOM 213 N CYS A 13 23.742 -1.381 11.874 1.00 0.00 N ATOM 214 CA CYS A 13 23.640 -0.008 11.400 1.00 0.00 C ATOM 215 C CYS A 13 23.187 0.085 9.945 1.00 0.00 C ATOM 216 O CYS A 13 22.198 0.750 9.665 1.00 0.00 O ATOM 217 CB CYS A 13 25.020 0.664 11.573 1.00 0.00 C ATOM 218 SG CYS A 13 24.978 2.391 10.995 1.00 0.00 S ATOM 0 H CYS A 13 24.556 -1.529 12.470 1.00 0.00 H new ATOM 0 HA CYS A 13 22.878 0.503 11.989 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.315 0.634 12.622 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.773 0.107 11.015 1.00 0.00 H new ATOM 0 HG CYS A 13 26.177 2.891 11.035 1.00 0.00 H new ATOM 224 N ARG A 14 23.870 -0.594 9.017 1.00 0.00 N ATOM 225 CA ARG A 14 23.629 -0.338 7.592 1.00 0.00 C ATOM 226 C ARG A 14 22.227 -0.739 7.130 1.00 0.00 C ATOM 227 O ARG A 14 21.595 0.067 6.456 1.00 0.00 O ATOM 228 CB ARG A 14 24.804 -0.817 6.699 1.00 0.00 C ATOM 229 CG ARG A 14 25.236 -2.288 6.846 1.00 0.00 C ATOM 230 CD ARG A 14 26.456 -2.638 5.972 1.00 0.00 C ATOM 231 NE ARG A 14 26.804 -4.070 6.110 1.00 0.00 N ATOM 232 CZ ARG A 14 27.624 -4.765 5.305 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.225 -4.182 4.278 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.849 -6.049 5.541 1.00 0.00 N ATOM 0 H ARG A 14 24.574 -1.305 9.217 1.00 0.00 H new ATOM 0 HA ARG A 14 23.622 0.744 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.530 -0.646 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.668 -0.187 6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.472 -2.491 7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.402 -2.936 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.239 -2.410 4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.307 -2.022 6.263 1.00 0.00 H new ATOM 0 HE ARG A 14 26.382 -4.576 6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.068 -3.192 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.845 -4.723 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.400 -6.508 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.472 -6.578 4.931 1.00 0.00 H new ATOM 248 N SER A 15 21.684 -1.900 7.503 1.00 0.00 N ATOM 249 CA SER A 15 20.349 -2.271 7.035 1.00 0.00 C ATOM 250 C SER A 15 19.284 -1.514 7.820 1.00 0.00 C ATOM 251 O SER A 15 18.297 -1.043 7.259 1.00 0.00 O ATOM 252 CB SER A 15 20.158 -3.772 7.198 1.00 0.00 C ATOM 253 OG SER A 15 20.190 -4.084 8.576 1.00 0.00 O ATOM 0 H SER A 15 22.135 -2.583 8.112 1.00 0.00 H new ATOM 0 HA SER A 15 20.250 -2.007 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.208 -4.082 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.943 -4.313 6.669 1.00 0.00 H new ATOM 0 HG SER A 15 19.627 -4.868 8.747 1.00 0.00 H new ATOM 259 N GLN A 16 19.477 -1.398 9.133 1.00 0.00 N ATOM 260 CA GLN A 16 18.463 -0.843 10.008 1.00 0.00 C ATOM 261 C GLN A 16 18.325 0.665 9.744 1.00 0.00 C ATOM 262 O GLN A 16 17.215 1.197 9.735 1.00 0.00 O ATOM 263 CB GLN A 16 18.792 -1.263 11.452 1.00 0.00 C ATOM 264 CG GLN A 16 19.671 -0.263 12.216 1.00 0.00 C ATOM 265 CD GLN A 16 19.858 -0.645 13.677 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.919 -1.094 14.100 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.834 -0.431 14.480 1.00 0.00 N ATOM 0 H GLN A 16 20.332 -1.684 9.609 1.00 0.00 H new ATOM 0 HA GLN A 16 17.466 -1.237 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.859 -1.401 11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.296 -2.229 11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.646 -0.199 11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.221 0.728 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.962 -0.057 14.106 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.914 -0.639 15.475 1.00 0.00 H new ATOM 276 N MET A 17 19.434 1.346 9.424 1.00 0.00 N ATOM 277 CA MET A 17 19.423 2.724 8.951 1.00 0.00 C ATOM 278 C MET A 17 18.699 2.820 7.624 1.00 0.00 C ATOM 279 O MET A 17 17.943 3.764 7.414 1.00 0.00 O ATOM 280 CB MET A 17 20.853 3.243 8.759 1.00 0.00 C ATOM 281 CG MET A 17 20.886 4.679 8.209 1.00 0.00 C ATOM 282 SD MET A 17 20.268 6.002 9.286 1.00 0.00 S ATOM 283 CE MET A 17 18.453 6.053 9.276 1.00 0.00 C ATOM 0 H MET A 17 20.370 0.946 9.489 1.00 0.00 H new ATOM 0 HA MET A 17 18.911 3.327 9.701 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.380 3.210 9.713 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.388 2.583 8.076 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.917 4.914 7.944 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.307 4.699 7.285 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.113 7.004 9.686 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.092 5.949 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.063 5.236 9.883 1.00 0.00 H new ATOM 293 N ALA A 18 18.937 1.864 6.728 1.00 0.00 N ATOM 294 CA ALA A 18 18.334 1.897 5.417 1.00 0.00 C ATOM 295 C ALA A 18 16.818 1.862 5.554 1.00 0.00 C ATOM 296 O ALA A 18 16.152 2.627 4.870 1.00 0.00 O ATOM 297 CB ALA A 18 18.887 0.746 4.579 1.00 0.00 C ATOM 0 H ALA A 18 19.544 1.062 6.895 1.00 0.00 H new ATOM 0 HA ALA A 18 18.584 2.822 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.434 0.767 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.968 0.850 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.654 -0.202 5.064 1.00 0.00 H new ATOM 303 N GLU A 19 16.277 1.103 6.509 1.00 0.00 N ATOM 304 CA GLU A 19 14.864 1.177 6.842 1.00 0.00 C ATOM 305 C GLU A 19 14.490 2.567 7.363 1.00 0.00 C ATOM 306 O GLU A 19 13.452 3.076 6.950 1.00 0.00 O ATOM 307 CB GLU A 19 14.495 0.103 7.866 1.00 0.00 C ATOM 308 CG GLU A 19 12.981 0.000 8.124 1.00 0.00 C ATOM 309 CD GLU A 19 12.666 -0.416 9.564 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.717 -1.629 9.865 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.424 0.482 10.407 1.00 0.00 O ATOM 0 H GLU A 19 16.804 0.429 7.064 1.00 0.00 H new ATOM 0 HA GLU A 19 14.296 0.996 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.863 -0.862 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.003 0.318 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.512 0.962 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.545 -0.724 7.435 1.00 0.00 H new ATOM 318 N GLY A 20 15.285 3.211 8.230 1.00 0.00 N ATOM 319 CA GLY A 20 14.897 4.489 8.820 1.00 0.00 C ATOM 320 C GLY A 20 14.786 5.576 7.760 1.00 0.00 C ATOM 321 O GLY A 20 13.777 6.276 7.692 1.00 0.00 O ATOM 0 H GLY A 20 16.195 2.865 8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.942 4.380 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.631 4.783 9.570 1.00 0.00 H new ATOM 325 N PHE A 21 15.769 5.653 6.859 1.00 0.00 N ATOM 326 CA PHE A 21 15.693 6.548 5.710 1.00 0.00 C ATOM 327 C PHE A 21 14.590 6.097 4.765 1.00 0.00 C ATOM 328 O PHE A 21 13.856 6.948 4.286 1.00 0.00 O ATOM 329 CB PHE A 21 17.051 6.629 4.999 1.00 0.00 C ATOM 330 CG PHE A 21 18.149 7.350 5.761 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.901 8.579 6.407 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.452 6.827 5.771 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.935 9.257 7.069 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.487 7.509 6.424 1.00 0.00 C ATOM 335 CZ PHE A 21 20.227 8.718 7.093 1.00 0.00 C ATOM 0 H PHE A 21 16.627 5.104 6.907 1.00 0.00 H new ATOM 0 HA PHE A 21 15.445 7.551 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.389 5.615 4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.910 7.129 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.907 9.001 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.658 5.892 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.734 10.197 7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.488 7.105 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.019 9.228 7.622 1.00 0.00 H new ATOM 345 N ALA A 22 14.407 4.800 4.515 1.00 0.00 N ATOM 346 CA ALA A 22 13.399 4.342 3.562 1.00 0.00 C ATOM 347 C ALA A 22 11.983 4.624 4.062 1.00 0.00 C ATOM 348 O ALA A 22 11.140 4.981 3.254 1.00 0.00 O ATOM 349 CB ALA A 22 13.621 2.864 3.220 1.00 0.00 C ATOM 0 H ALA A 22 14.941 4.052 4.957 1.00 0.00 H new ATOM 0 HA ALA A 22 13.511 4.911 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.862 2.537 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.610 2.737 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.549 2.266 4.128 1.00 0.00 H new ATOM 355 N LYS A 23 11.697 4.547 5.364 1.00 0.00 N ATOM 356 CA LYS A 23 10.376 4.877 5.901 1.00 0.00 C ATOM 357 C LYS A 23 10.169 6.376 6.104 1.00 0.00 C ATOM 358 O LYS A 23 9.037 6.807 6.279 1.00 0.00 O ATOM 359 CB LYS A 23 10.058 4.029 7.143 1.00 0.00 C ATOM 360 CG LYS A 23 10.744 4.431 8.457 1.00 0.00 C ATOM 361 CD LYS A 23 10.488 3.319 9.487 1.00 0.00 C ATOM 362 CE LYS A 23 11.117 3.620 10.855 1.00 0.00 C ATOM 363 NZ LYS A 23 10.981 2.452 11.771 1.00 0.00 N ATOM 0 H LYS A 23 12.371 4.256 6.072 1.00 0.00 H new ATOM 0 HA LYS A 23 9.638 4.607 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.980 4.053 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.325 2.995 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.814 4.567 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.350 5.382 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.413 3.183 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.888 2.379 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.171 3.867 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.636 4.492 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.398 2.685 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.974 2.222 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.476 1.633 11.364 1.00 0.00 H new ATOM 377 N THR A 24 11.241 7.162 6.057 1.00 0.00 N ATOM 378 CA THR A 24 11.201 8.614 6.018 1.00 0.00 C ATOM 379 C THR A 24 10.900 9.055 4.580 1.00 0.00 C ATOM 380 O THR A 24 9.970 9.819 4.328 1.00 0.00 O ATOM 381 CB THR A 24 12.583 9.089 6.525 1.00 0.00 C ATOM 382 OG1 THR A 24 12.600 9.082 7.939 1.00 0.00 O ATOM 383 CG2 THR A 24 13.052 10.444 5.999 1.00 0.00 C ATOM 0 H THR A 24 12.191 6.790 6.045 1.00 0.00 H new ATOM 0 HA THR A 24 10.422 9.049 6.644 1.00 0.00 H new ATOM 0 HB THR A 24 13.297 8.374 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.960 8.228 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.031 10.678 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.122 10.408 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.339 11.215 6.291 1.00 0.00 H new ATOM 391 N LEU A 25 11.679 8.542 3.626 1.00 0.00 N ATOM 392 CA LEU A 25 11.704 8.991 2.236 1.00 0.00 C ATOM 393 C LEU A 25 10.607 8.323 1.401 1.00 0.00 C ATOM 394 O LEU A 25 10.125 8.895 0.426 1.00 0.00 O ATOM 395 CB LEU A 25 13.079 8.668 1.631 1.00 0.00 C ATOM 396 CG LEU A 25 14.244 9.550 2.099 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.539 9.030 1.454 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.058 11.024 1.725 1.00 0.00 C ATOM 0 H LEU A 25 12.330 7.778 3.807 1.00 0.00 H new ATOM 0 HA LEU A 25 11.522 10.066 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.320 7.630 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.004 8.745 0.546 1.00 0.00 H new ATOM 0 HG LEU A 25 14.287 9.495 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.379 9.646 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.708 7.997 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.449 9.077 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.912 11.600 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.983 11.118 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.146 11.404 2.186 1.00 0.00 H new ATOM 410 N GLY A 26 10.202 7.118 1.805 1.00 0.00 N ATOM 411 CA GLY A 26 9.192 6.280 1.169 1.00 0.00 C ATOM 412 C GLY A 26 7.853 6.341 1.907 1.00 0.00 C ATOM 413 O GLY A 26 6.983 5.500 1.681 1.00 0.00 O ATOM 0 H GLY A 26 10.596 6.677 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.052 6.600 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.543 5.249 1.138 1.00 0.00 H new ATOM 417 N ALA A 27 7.696 7.298 2.822 1.00 0.00 N ATOM 418 CA ALA A 27 6.531 7.437 3.678 1.00 0.00 C ATOM 419 C ALA A 27 5.279 7.623 2.824 1.00 0.00 C ATOM 420 O ALA A 27 5.207 8.552 2.017 1.00 0.00 O ATOM 421 CB ALA A 27 6.739 8.623 4.630 1.00 0.00 C ATOM 0 H ALA A 27 8.401 8.016 2.988 1.00 0.00 H new ATOM 0 HA ALA A 27 6.398 6.535 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.866 8.730 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.623 8.447 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.876 9.536 4.050 1.00 0.00 H new ATOM 427 N GLY A 28 4.303 6.731 2.992 1.00 0.00 N ATOM 428 CA GLY A 28 3.036 6.796 2.263 1.00 0.00 C ATOM 429 C GLY A 28 3.136 6.305 0.820 1.00 0.00 C ATOM 430 O GLY A 28 2.186 6.463 0.051 1.00 0.00 O ATOM 0 H GLY A 28 4.368 5.943 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.292 6.199 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.678 7.826 2.264 1.00 0.00 H new ATOM 434 N LYS A 29 4.270 5.705 0.443 1.00 0.00 N ATOM 435 CA LYS A 29 4.570 5.216 -0.889 1.00 0.00 C ATOM 436 C LYS A 29 4.907 3.740 -0.809 1.00 0.00 C ATOM 437 O LYS A 29 4.574 2.985 -1.716 1.00 0.00 O ATOM 438 CB LYS A 29 5.741 6.019 -1.461 1.00 0.00 C ATOM 439 CG LYS A 29 5.414 7.506 -1.653 1.00 0.00 C ATOM 440 CD LYS A 29 4.427 7.766 -2.802 1.00 0.00 C ATOM 441 CE LYS A 29 4.285 9.274 -3.063 1.00 0.00 C ATOM 442 NZ LYS A 29 3.396 9.556 -4.225 1.00 0.00 N ATOM 0 H LYS A 29 5.035 5.544 1.098 1.00 0.00 H new ATOM 0 HA LYS A 29 3.710 5.339 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.598 5.925 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.034 5.591 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.996 7.902 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.337 8.052 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.774 7.266 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.454 7.341 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.885 9.760 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.269 9.705 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.327 10.584 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.791 9.114 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.449 9.167 -4.040 1.00 0.00 H new ATOM 456 N ILE A 30 5.515 3.311 0.295 1.00 0.00 N ATOM 457 CA ILE A 30 5.903 1.935 0.560 1.00 0.00 C ATOM 458 C ILE A 30 5.688 1.612 2.041 1.00 0.00 C ATOM 459 O ILE A 30 5.359 2.488 2.843 1.00 0.00 O ATOM 460 CB ILE A 30 7.378 1.730 0.142 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.349 2.701 0.853 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.513 1.858 -1.382 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.781 2.176 0.944 1.00 0.00 C ATOM 0 H ILE A 30 5.759 3.942 1.058 1.00 0.00 H new ATOM 0 HA ILE A 30 5.284 1.253 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 30 7.661 0.725 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.353 3.652 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.979 2.900 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.555 1.712 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.894 1.103 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.186 2.850 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.406 2.909 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.791 1.240 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.170 2.004 -0.060 1.00 0.00 H new ATOM 475 N ALA A 31 5.902 0.345 2.383 1.00 0.00 N ATOM 476 CA ALA A 31 5.984 -0.166 3.748 1.00 0.00 C ATOM 477 C ALA A 31 7.413 -0.688 3.877 1.00 0.00 C ATOM 478 O ALA A 31 7.964 -1.195 2.905 1.00 0.00 O ATOM 479 CB ALA A 31 4.935 -1.257 3.972 1.00 0.00 C ATOM 0 H ALA A 31 6.029 -0.387 1.684 1.00 0.00 H new ATOM 0 HA ALA A 31 5.776 0.591 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.009 -1.628 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.940 -0.844 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.108 -2.077 3.275 1.00 0.00 H new ATOM 485 N VAL A 32 8.028 -0.569 5.046 1.00 0.00 N ATOM 486 CA VAL A 32 9.454 -0.799 5.223 1.00 0.00 C ATOM 487 C VAL A 32 9.731 -1.674 6.467 1.00 0.00 C ATOM 488 O VAL A 32 9.047 -1.526 7.485 1.00 0.00 O ATOM 489 CB VAL A 32 10.098 0.603 5.328 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.560 0.590 4.928 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.423 1.717 4.490 1.00 0.00 C ATOM 0 H VAL A 32 7.546 -0.308 5.906 1.00 0.00 H new ATOM 0 HA VAL A 32 9.881 -1.354 4.388 1.00 0.00 H new ATOM 0 HB VAL A 32 9.962 0.840 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.971 1.596 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.110 -0.086 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.652 0.251 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.955 2.657 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.452 1.446 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.386 1.833 4.807 1.00 0.00 H new ATOM 501 N THR A 33 10.741 -2.553 6.395 1.00 0.00 N ATOM 502 CA THR A 33 11.067 -3.551 7.430 1.00 0.00 C ATOM 503 C THR A 33 12.589 -3.813 7.441 1.00 0.00 C ATOM 504 O THR A 33 13.231 -3.633 6.407 1.00 0.00 O ATOM 505 CB THR A 33 10.301 -4.863 7.142 1.00 0.00 C ATOM 506 OG1 THR A 33 9.185 -4.703 6.275 1.00 0.00 O ATOM 507 CG2 THR A 33 9.806 -5.539 8.423 1.00 0.00 C ATOM 0 H THR A 33 11.372 -2.592 5.595 1.00 0.00 H new ATOM 0 HA THR A 33 10.769 -3.172 8.408 1.00 0.00 H new ATOM 0 HB THR A 33 11.040 -5.490 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.501 -4.519 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.274 -6.456 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.657 -5.778 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.133 -4.865 8.954 1.00 0.00 H new ATOM 515 N SER A 34 13.188 -4.282 8.545 1.00 0.00 N ATOM 516 CA SER A 34 14.615 -4.624 8.622 1.00 0.00 C ATOM 517 C SER A 34 14.831 -5.907 9.431 1.00 0.00 C ATOM 518 O SER A 34 13.991 -6.262 10.265 1.00 0.00 O ATOM 519 CB SER A 34 15.434 -3.446 9.174 1.00 0.00 C ATOM 520 OG SER A 34 14.915 -2.917 10.380 1.00 0.00 O ATOM 0 H SER A 34 12.688 -4.436 9.421 1.00 0.00 H new ATOM 0 HA SER A 34 14.975 -4.820 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.460 -3.773 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.470 -2.655 8.425 1.00 0.00 H new ATOM 0 HG SER A 34 14.141 -2.350 10.182 1.00 0.00 H new ATOM 526 N CYS A 35 15.943 -6.616 9.184 1.00 0.00 N ATOM 527 CA CYS A 35 16.290 -7.857 9.875 1.00 0.00 C ATOM 528 C CYS A 35 17.784 -8.140 9.738 1.00 0.00 C ATOM 529 O CYS A 35 18.516 -7.361 9.121 1.00 0.00 O ATOM 530 CB CYS A 35 15.431 -9.003 9.300 1.00 0.00 C ATOM 531 SG CYS A 35 15.693 -9.247 7.526 1.00 0.00 S ATOM 0 H CYS A 35 16.633 -6.335 8.488 1.00 0.00 H new ATOM 0 HA CYS A 35 16.080 -7.767 10.941 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.664 -9.927 9.828 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.378 -8.789 9.482 1.00 0.00 H new ATOM 0 HG CYS A 35 14.802 -8.575 6.859 1.00 0.00 H new ATOM 537 N GLY A 36 18.239 -9.265 10.299 1.00 0.00 N ATOM 538 CA GLY A 36 19.647 -9.637 10.256 1.00 0.00 C ATOM 539 C GLY A 36 20.485 -8.703 11.128 1.00 0.00 C ATOM 540 O GLY A 36 21.624 -8.406 10.777 1.00 0.00 O ATOM 0 H GLY A 36 17.645 -9.933 10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.766 -10.665 10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.006 -9.600 9.227 1.00 0.00 H new ATOM 624 N VAL A 42 19.963 -3.427 18.955 1.00 0.00 N ATOM 625 CA VAL A 42 20.422 -2.208 18.301 1.00 0.00 C ATOM 626 C VAL A 42 21.770 -1.736 18.847 1.00 0.00 C ATOM 627 O VAL A 42 22.197 -2.103 19.946 1.00 0.00 O ATOM 628 CB VAL A 42 19.341 -1.116 18.428 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.024 -1.586 17.805 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.102 -0.657 19.878 1.00 0.00 C ATOM 0 HA VAL A 42 20.582 -2.423 17.244 1.00 0.00 H new ATOM 0 HB VAL A 42 19.720 -0.252 17.883 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.274 -0.801 17.905 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.180 -1.807 16.749 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.680 -2.484 18.317 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.330 0.112 19.894 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.780 -1.507 20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.027 -0.251 20.288 1.00 0.00 H new ATOM 640 N HIS A 43 22.407 -0.862 18.067 1.00 0.00 N ATOM 641 CA HIS A 43 23.779 -0.446 18.273 1.00 0.00 C ATOM 642 C HIS A 43 23.802 1.070 18.501 1.00 0.00 C ATOM 643 O HIS A 43 23.532 1.820 17.560 1.00 0.00 O ATOM 644 CB HIS A 43 24.575 -0.890 17.043 1.00 0.00 C ATOM 645 CG HIS A 43 26.046 -0.625 17.205 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.919 -1.320 18.014 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.748 0.391 16.627 1.00 0.00 C ATOM 648 CE1 HIS A 43 28.124 -0.731 17.927 1.00 0.00 C ATOM 649 NE2 HIS A 43 28.071 0.304 17.069 1.00 0.00 N ATOM 0 H HIS A 43 21.967 -0.419 17.260 1.00 0.00 H new ATOM 0 HA HIS A 43 24.234 -0.900 19.153 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.414 -1.954 16.871 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.206 -0.365 16.162 1.00 0.00 H new ATOM 0 HD1 HIS A 43 26.691 -2.138 18.579 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.352 1.132 15.948 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.006 -1.043 18.467 1.00 0.00 H new ATOM 657 N PRO A 44 24.098 1.555 19.722 1.00 0.00 N ATOM 658 CA PRO A 44 23.928 2.963 20.085 1.00 0.00 C ATOM 659 C PRO A 44 24.752 3.924 19.223 1.00 0.00 C ATOM 660 O PRO A 44 24.291 5.037 18.975 1.00 0.00 O ATOM 661 CB PRO A 44 24.260 3.069 21.579 1.00 0.00 C ATOM 662 CG PRO A 44 25.077 1.812 21.865 1.00 0.00 C ATOM 663 CD PRO A 44 24.496 0.791 20.893 1.00 0.00 C ATOM 0 HA PRO A 44 22.902 3.276 19.893 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.828 3.973 21.799 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.356 3.105 22.187 1.00 0.00 H new ATOM 0 HG2 PRO A 44 26.141 1.975 21.690 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.970 1.489 22.900 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.233 0.031 20.634 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.644 0.272 21.332 1.00 0.00 H new ATOM 671 N THR A 45 25.904 3.507 18.692 1.00 0.00 N ATOM 672 CA THR A 45 26.685 4.338 17.776 1.00 0.00 C ATOM 673 C THR A 45 25.871 4.681 16.521 1.00 0.00 C ATOM 674 O THR A 45 25.939 5.818 16.049 1.00 0.00 O ATOM 675 CB THR A 45 28.015 3.645 17.407 1.00 0.00 C ATOM 676 OG1 THR A 45 28.497 2.864 18.490 1.00 0.00 O ATOM 677 CG2 THR A 45 29.080 4.679 17.026 1.00 0.00 C ATOM 0 H THR A 45 26.317 2.594 18.883 1.00 0.00 H new ATOM 0 HA THR A 45 26.924 5.273 18.283 1.00 0.00 H new ATOM 0 HB THR A 45 27.819 2.996 16.554 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.439 1.913 18.259 1.00 0.00 H new ATOM 0 HG21 THR A 45 30.008 4.168 16.770 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.736 5.257 16.168 1.00 0.00 H new ATOM 0 HG23 THR A 45 29.255 5.348 17.868 1.00 0.00 H new ATOM 685 N ALA A 46 25.054 3.748 16.004 1.00 0.00 N ATOM 686 CA ALA A 46 24.203 4.047 14.861 1.00 0.00 C ATOM 687 C ALA A 46 23.140 5.036 15.292 1.00 0.00 C ATOM 688 O ALA A 46 22.966 6.045 14.623 1.00 0.00 O ATOM 689 CB ALA A 46 23.579 2.769 14.274 1.00 0.00 C ATOM 0 H ALA A 46 24.971 2.796 16.360 1.00 0.00 H new ATOM 0 HA ALA A 46 24.806 4.489 14.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.950 3.029 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.371 2.094 13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.974 2.277 15.035 1.00 0.00 H new ATOM 695 N ILE A 47 22.503 4.807 16.443 1.00 0.00 N ATOM 696 CA ILE A 47 21.446 5.693 16.931 1.00 0.00 C ATOM 697 C ILE A 47 22.002 7.111 17.010 1.00 0.00 C ATOM 698 O ILE A 47 21.366 8.029 16.506 1.00 0.00 O ATOM 699 CB ILE A 47 20.865 5.231 18.281 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.880 4.064 18.158 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.123 6.355 19.037 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.429 2.710 17.725 1.00 0.00 C ATOM 0 H ILE A 47 22.702 4.015 17.054 1.00 0.00 H new ATOM 0 HA ILE A 47 20.611 5.664 16.231 1.00 0.00 H new ATOM 0 HB ILE A 47 21.749 4.916 18.835 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.393 3.934 19.125 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.106 4.354 17.448 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.737 5.966 19.979 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.812 7.175 19.238 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.295 6.718 18.428 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.617 1.985 17.683 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.886 2.801 16.740 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.178 2.375 18.442 1.00 0.00 H new ATOM 714 N ALA A 48 23.203 7.291 17.561 1.00 0.00 N ATOM 715 CA ALA A 48 23.802 8.608 17.677 1.00 0.00 C ATOM 716 C ALA A 48 23.977 9.263 16.311 1.00 0.00 C ATOM 717 O ALA A 48 23.669 10.443 16.155 1.00 0.00 O ATOM 718 CB ALA A 48 25.143 8.524 18.399 1.00 0.00 C ATOM 0 H ALA A 48 23.777 6.534 17.933 1.00 0.00 H new ATOM 0 HA ALA A 48 23.124 9.229 18.263 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.577 9.521 18.477 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.993 8.114 19.398 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.818 7.877 17.839 1.00 0.00 H new ATOM 724 N MET A 49 24.452 8.511 15.314 1.00 0.00 N ATOM 725 CA MET A 49 24.659 9.071 13.984 1.00 0.00 C ATOM 726 C MET A 49 23.352 9.474 13.324 1.00 0.00 C ATOM 727 O MET A 49 23.380 10.259 12.375 1.00 0.00 O ATOM 728 CB MET A 49 25.418 8.125 13.059 1.00 0.00 C ATOM 729 CG MET A 49 26.872 7.956 13.473 1.00 0.00 C ATOM 730 SD MET A 49 27.833 9.415 13.962 1.00 0.00 S ATOM 731 CE MET A 49 27.754 9.217 15.755 1.00 0.00 C ATOM 0 H MET A 49 24.697 7.525 15.404 1.00 0.00 H new ATOM 0 HA MET A 49 25.268 9.962 14.139 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.928 7.152 13.057 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.375 8.506 12.039 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.895 7.254 14.307 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.396 7.482 12.643 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.568 9.774 16.219 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.800 9.596 16.121 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.847 8.161 16.009 1.00 0.00 H new ATOM 741 N MET A 50 22.219 8.946 13.781 1.00 0.00 N ATOM 742 CA MET A 50 20.927 9.251 13.182 1.00 0.00 C ATOM 743 C MET A 50 20.245 10.325 14.018 1.00 0.00 C ATOM 744 O MET A 50 19.536 11.162 13.475 1.00 0.00 O ATOM 745 CB MET A 50 20.071 7.992 13.029 1.00 0.00 C ATOM 746 CG MET A 50 20.815 6.786 12.457 1.00 0.00 C ATOM 747 SD MET A 50 22.297 7.078 11.424 1.00 0.00 S ATOM 748 CE MET A 50 23.075 5.446 11.424 1.00 0.00 C ATOM 0 H MET A 50 22.172 8.301 14.570 1.00 0.00 H new ATOM 0 HA MET A 50 21.068 9.635 12.172 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.665 7.723 14.004 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.224 8.220 12.383 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.114 6.155 13.294 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.105 6.211 11.862 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.747 5.363 10.570 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.641 5.313 12.346 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.306 4.676 11.356 1.00 0.00 H new ATOM 758 N GLU A 51 20.532 10.386 15.315 1.00 0.00 N ATOM 759 CA GLU A 51 20.133 11.467 16.196 1.00 0.00 C ATOM 760 C GLU A 51 20.787 12.774 15.733 1.00 0.00 C ATOM 761 O GLU A 51 20.161 13.834 15.782 1.00 0.00 O ATOM 762 CB GLU A 51 20.536 11.081 17.633 1.00 0.00 C ATOM 763 CG GLU A 51 20.066 12.111 18.665 1.00 0.00 C ATOM 764 CD GLU A 51 20.392 11.648 20.097 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.551 11.818 20.545 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.487 11.128 20.792 1.00 0.00 O ATOM 0 H GLU A 51 21.066 9.659 15.792 1.00 0.00 H new ATOM 0 HA GLU A 51 19.055 11.627 16.170 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.113 10.106 17.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.620 10.982 17.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.546 13.070 18.471 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.992 12.267 18.565 1.00 0.00 H new ATOM 773 N GLU A 52 22.005 12.685 15.192 1.00 0.00 N ATOM 774 CA GLU A 52 22.738 13.775 14.555 1.00 0.00 C ATOM 775 C GLU A 52 21.960 14.380 13.364 1.00 0.00 C ATOM 776 O GLU A 52 22.288 15.487 12.932 1.00 0.00 O ATOM 777 CB GLU A 52 24.131 13.264 14.123 1.00 0.00 C ATOM 778 CG GLU A 52 25.182 13.253 15.247 1.00 0.00 C ATOM 779 CD GLU A 52 25.739 14.662 15.503 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.713 15.053 14.811 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.213 15.383 16.386 1.00 0.00 O ATOM 0 H GLU A 52 22.528 11.809 15.188 1.00 0.00 H new ATOM 0 HA GLU A 52 22.860 14.582 15.277 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.027 12.253 13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.496 13.888 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.735 12.864 16.162 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.997 12.580 14.980 1.00 0.00 H new ATOM 788 N VAL A 53 20.921 13.702 12.851 1.00 0.00 N ATOM 789 CA VAL A 53 20.052 14.140 11.762 1.00 0.00 C ATOM 790 C VAL A 53 18.555 13.949 12.110 1.00 0.00 C ATOM 791 O VAL A 53 17.693 14.055 11.233 1.00 0.00 O ATOM 792 CB VAL A 53 20.474 13.438 10.450 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.796 13.995 9.900 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.592 11.908 10.538 1.00 0.00 C ATOM 0 H VAL A 53 20.655 12.784 13.209 1.00 0.00 H new ATOM 0 HA VAL A 53 20.173 15.213 11.613 1.00 0.00 H new ATOM 0 HB VAL A 53 19.650 13.660 9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.055 13.474 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.685 15.060 9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.587 13.847 10.635 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.893 11.510 9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.339 11.643 11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.628 11.484 10.821 1.00 0.00 H new ATOM 804 N GLY A 54 18.222 13.713 13.388 1.00 0.00 N ATOM 805 CA GLY A 54 16.848 13.637 13.872 1.00 0.00 C ATOM 806 C GLY A 54 16.066 12.414 13.367 1.00 0.00 C ATOM 807 O GLY A 54 14.901 12.563 12.996 1.00 0.00 O ATOM 0 H GLY A 54 18.916 13.568 14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.859 13.622 14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.319 14.541 13.572 1.00 0.00 H new ATOM 811 N ILE A 55 16.673 11.218 13.361 1.00 0.00 N ATOM 812 CA ILE A 55 16.016 9.941 13.075 1.00 0.00 C ATOM 813 C ILE A 55 16.268 9.004 14.266 1.00 0.00 C ATOM 814 O ILE A 55 17.297 9.104 14.938 1.00 0.00 O ATOM 815 CB ILE A 55 16.434 9.349 11.704 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.084 10.379 10.612 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.760 7.981 11.438 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.232 9.812 9.210 1.00 0.00 C ATOM 0 H ILE A 55 17.667 11.113 13.562 1.00 0.00 H new ATOM 0 HA ILE A 55 14.941 10.087 12.970 1.00 0.00 H new ATOM 0 HB ILE A 55 17.507 9.158 11.700 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.059 10.722 10.756 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.730 11.250 10.718 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.079 7.601 10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.049 7.275 12.217 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.677 8.102 11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.974 10.578 8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.263 9.494 9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.566 8.957 9.091 1.00 0.00 H new ATOM 830 N ASP A 56 15.340 8.073 14.498 1.00 0.00 N ATOM 831 CA ASP A 56 15.421 7.036 15.529 1.00 0.00 C ATOM 832 C ASP A 56 15.525 5.667 14.854 1.00 0.00 C ATOM 833 O ASP A 56 14.713 5.338 13.989 1.00 0.00 O ATOM 834 CB ASP A 56 14.174 7.075 16.425 1.00 0.00 C ATOM 835 CG ASP A 56 14.072 5.801 17.284 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.077 5.441 17.940 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.013 5.132 17.269 1.00 0.00 O ATOM 0 H ASP A 56 14.480 8.019 13.953 1.00 0.00 H new ATOM 0 HA ASP A 56 16.301 7.214 16.148 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.214 7.952 17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.281 7.174 15.808 1.00 0.00 H new ATOM 842 N ILE A 57 16.508 4.865 15.277 1.00 0.00 N ATOM 843 CA ILE A 57 16.679 3.456 14.906 1.00 0.00 C ATOM 844 C ILE A 57 16.879 2.576 16.155 1.00 0.00 C ATOM 845 O ILE A 57 17.253 1.414 16.040 1.00 0.00 O ATOM 846 CB ILE A 57 17.748 3.318 13.789 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.123 3.963 14.058 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.179 3.842 12.452 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.137 3.611 12.958 1.00 0.00 C ATOM 0 H ILE A 57 17.235 5.193 15.913 1.00 0.00 H new ATOM 0 HA ILE A 57 15.765 3.065 14.458 1.00 0.00 H new ATOM 0 HB ILE A 57 17.957 2.249 13.753 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.012 5.046 14.119 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.501 3.627 15.023 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.934 3.743 11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.297 3.262 12.180 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.904 4.891 12.560 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.094 4.083 13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.267 2.530 12.915 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.770 3.971 11.997 1.00 0.00 H new ATOM 861 N SER A 58 16.595 3.089 17.353 1.00 0.00 N ATOM 862 CA SER A 58 16.643 2.363 18.613 1.00 0.00 C ATOM 863 C SER A 58 15.373 1.543 18.885 1.00 0.00 C ATOM 864 O SER A 58 15.447 0.516 19.558 1.00 0.00 O ATOM 865 CB SER A 58 16.891 3.336 19.780 1.00 0.00 C ATOM 866 OG SER A 58 17.055 4.698 19.409 1.00 0.00 O ATOM 0 H SER A 58 16.314 4.062 17.472 1.00 0.00 H new ATOM 0 HA SER A 58 17.469 1.657 18.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.055 3.264 20.476 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.782 3.013 20.318 1.00 0.00 H new ATOM 0 HG SER A 58 16.185 5.078 19.166 1.00 0.00 H new ATOM 872 N GLY A 59 14.217 1.966 18.357 1.00 0.00 N ATOM 873 CA GLY A 59 12.948 1.252 18.527 1.00 0.00 C ATOM 874 C GLY A 59 12.834 0.012 17.626 1.00 0.00 C ATOM 875 O GLY A 59 11.894 -0.773 17.763 1.00 0.00 O ATOM 0 H GLY A 59 14.137 2.816 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.844 0.949 19.569 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.123 1.930 18.309 1.00 0.00 H new ATOM 879 N GLN A 60 13.774 -0.148 16.690 1.00 0.00 N ATOM 880 CA GLN A 60 13.905 -1.296 15.810 1.00 0.00 C ATOM 881 C GLN A 60 14.398 -2.495 16.605 1.00 0.00 C ATOM 882 O GLN A 60 15.073 -2.310 17.618 1.00 0.00 O ATOM 883 CB GLN A 60 14.938 -0.952 14.734 1.00 0.00 C ATOM 884 CG GLN A 60 14.420 0.149 13.819 1.00 0.00 C ATOM 885 CD GLN A 60 15.421 0.426 12.708 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.617 0.470 12.948 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.985 0.620 11.483 1.00 0.00 N ATOM 0 H GLN A 60 14.494 0.555 16.523 1.00 0.00 H new ATOM 0 HA GLN A 60 12.942 -1.536 15.359 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.868 -0.632 15.205 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.168 -1.841 14.147 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.462 -0.146 13.390 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.245 1.058 14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.985 0.583 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.647 0.808 10.730 1.00 0.00 H new ATOM 896 N THR A 61 14.156 -3.708 16.103 1.00 0.00 N ATOM 897 CA THR A 61 14.578 -4.927 16.790 1.00 0.00 C ATOM 898 C THR A 61 14.965 -6.117 15.906 1.00 0.00 C ATOM 899 O THR A 61 14.707 -6.148 14.702 1.00 0.00 O ATOM 900 CB THR A 61 13.524 -5.355 17.843 1.00 0.00 C ATOM 901 OG1 THR A 61 12.205 -4.892 17.568 1.00 0.00 O ATOM 902 CG2 THR A 61 13.969 -4.792 19.189 1.00 0.00 C ATOM 0 H THR A 61 13.669 -3.871 15.222 1.00 0.00 H new ATOM 0 HA THR A 61 15.514 -4.641 17.271 1.00 0.00 H new ATOM 0 HB THR A 61 13.473 -6.444 17.832 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.597 -5.201 18.271 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.249 -5.074 19.957 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.949 -5.194 19.445 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.027 -3.705 19.128 1.00 0.00 H new ATOM 910 N SER A 62 15.631 -7.081 16.552 1.00 0.00 N ATOM 911 CA SER A 62 16.267 -8.247 15.957 1.00 0.00 C ATOM 912 C SER A 62 15.241 -9.267 15.456 1.00 0.00 C ATOM 913 O SER A 62 14.205 -9.484 16.089 1.00 0.00 O ATOM 914 CB SER A 62 17.169 -8.906 17.020 1.00 0.00 C ATOM 915 OG SER A 62 17.684 -7.946 17.943 1.00 0.00 O ATOM 0 H SER A 62 15.743 -7.060 17.566 1.00 0.00 H new ATOM 0 HA SER A 62 16.850 -7.920 15.096 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.601 -9.663 17.561 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.996 -9.419 16.529 1.00 0.00 H new ATOM 0 HG SER A 62 18.250 -8.398 18.603 1.00 0.00 H new ATOM 921 N ASP A 63 15.570 -9.929 14.345 1.00 0.00 N ATOM 922 CA ASP A 63 14.863 -11.090 13.808 1.00 0.00 C ATOM 923 C ASP A 63 15.757 -11.643 12.694 1.00 0.00 C ATOM 924 O ASP A 63 16.346 -10.836 11.965 1.00 0.00 O ATOM 925 CB ASP A 63 13.483 -10.700 13.239 1.00 0.00 C ATOM 926 CG ASP A 63 12.305 -11.290 14.040 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.356 -12.475 14.448 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.296 -10.568 14.244 1.00 0.00 O ATOM 0 H ASP A 63 16.370 -9.658 13.772 1.00 0.00 H new ATOM 0 HA ASP A 63 14.677 -11.826 14.590 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.397 -9.613 13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.415 -11.037 12.205 1.00 0.00 H new ATOM 933 N PRO A 64 15.917 -12.969 12.542 1.00 0.00 N ATOM 934 CA PRO A 64 16.745 -13.536 11.488 1.00 0.00 C ATOM 935 C PRO A 64 15.996 -13.542 10.149 1.00 0.00 C ATOM 936 O PRO A 64 14.762 -13.555 10.107 1.00 0.00 O ATOM 937 CB PRO A 64 17.089 -14.950 11.971 1.00 0.00 C ATOM 938 CG PRO A 64 15.881 -15.347 12.818 1.00 0.00 C ATOM 939 CD PRO A 64 15.407 -14.020 13.414 1.00 0.00 C ATOM 0 HA PRO A 64 17.649 -12.954 11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.234 -15.634 11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.009 -14.961 12.556 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.104 -15.815 12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.154 -16.061 13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.319 -13.986 13.468 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.780 -13.896 14.431 1.00 0.00 H new ATOM 947 N ILE A 65 16.756 -13.611 9.051 1.00 0.00 N ATOM 948 CA ILE A 65 16.240 -13.654 7.681 1.00 0.00 C ATOM 949 C ILE A 65 15.304 -14.848 7.495 1.00 0.00 C ATOM 950 O ILE A 65 14.285 -14.744 6.820 1.00 0.00 O ATOM 951 CB ILE A 65 17.425 -13.653 6.678 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.926 -13.560 5.215 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.368 -14.861 6.870 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.010 -13.682 4.129 1.00 0.00 C ATOM 0 H ILE A 65 17.775 -13.639 9.093 1.00 0.00 H new ATOM 0 HA ILE A 65 15.643 -12.764 7.482 1.00 0.00 H new ATOM 0 HB ILE A 65 18.012 -12.760 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.186 -14.344 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.414 -12.606 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.178 -14.809 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.783 -14.842 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.809 -15.786 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.549 -13.603 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.741 -12.883 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.509 -14.647 4.220 1.00 0.00 H new ATOM 966 N GLU A 66 15.631 -15.972 8.126 1.00 0.00 N ATOM 967 CA GLU A 66 14.910 -17.223 7.956 1.00 0.00 C ATOM 968 C GLU A 66 13.509 -17.177 8.576 1.00 0.00 C ATOM 969 O GLU A 66 12.638 -17.951 8.173 1.00 0.00 O ATOM 970 CB GLU A 66 15.746 -18.361 8.556 1.00 0.00 C ATOM 971 CG GLU A 66 16.922 -18.759 7.652 1.00 0.00 C ATOM 972 CD GLU A 66 17.683 -19.969 8.226 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.623 -19.776 9.035 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.357 -21.125 7.860 1.00 0.00 O ATOM 0 H GLU A 66 16.414 -16.037 8.777 1.00 0.00 H new ATOM 0 HA GLU A 66 14.762 -17.397 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.127 -18.054 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.108 -19.229 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.552 -18.998 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.604 -17.915 7.545 1.00 0.00 H new ATOM 981 N ASN A 67 13.268 -16.271 9.535 1.00 0.00 N ATOM 982 CA ASN A 67 11.928 -16.028 10.050 1.00 0.00 C ATOM 983 C ASN A 67 11.070 -15.270 9.023 1.00 0.00 C ATOM 984 O ASN A 67 9.841 -15.335 9.103 1.00 0.00 O ATOM 985 CB ASN A 67 11.959 -15.319 11.420 1.00 0.00 C ATOM 986 CG ASN A 67 11.317 -13.937 11.398 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.156 -13.754 11.758 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.063 -12.951 10.941 1.00 0.00 N ATOM 0 H ASN A 67 13.992 -15.696 9.966 1.00 0.00 H new ATOM 0 HA ASN A 67 11.456 -16.997 10.215 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.445 -15.939 12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.994 -15.226 11.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.680 -12.008 10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.024 -13.131 10.649 1.00 0.00 H new ATOM 995 N PHE A 68 11.691 -14.557 8.076 1.00 0.00 N ATOM 996 CA PHE A 68 11.000 -13.756 7.083 1.00 0.00 C ATOM 997 C PHE A 68 10.786 -14.558 5.796 1.00 0.00 C ATOM 998 O PHE A 68 11.328 -15.652 5.607 1.00 0.00 O ATOM 999 CB PHE A 68 11.746 -12.426 6.846 1.00 0.00 C ATOM 1000 CG PHE A 68 11.458 -11.385 7.911 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.165 -10.836 8.012 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.460 -10.971 8.808 1.00 0.00 C ATOM 1003 CE1 PHE A 68 9.869 -9.882 9.002 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.154 -10.027 9.809 1.00 0.00 C ATOM 1005 CZ PHE A 68 10.867 -9.478 9.903 1.00 0.00 C ATOM 0 H PHE A 68 12.706 -14.526 7.985 1.00 0.00 H new ATOM 0 HA PHE A 68 10.009 -13.498 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.818 -12.618 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.465 -12.027 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.394 -11.150 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.459 -11.375 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.877 -9.461 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.918 -9.724 10.510 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.644 -8.747 10.666 1.00 0.00 H new ATOM 1015 N ASN A 69 9.962 -13.995 4.910 1.00 0.00 N ATOM 1016 CA ASN A 69 9.533 -14.596 3.655 1.00 0.00 C ATOM 1017 C ASN A 69 9.413 -13.481 2.632 1.00 0.00 C ATOM 1018 O ASN A 69 8.382 -12.814 2.565 1.00 0.00 O ATOM 1019 CB ASN A 69 8.242 -15.432 3.813 1.00 0.00 C ATOM 1020 CG ASN A 69 7.201 -14.883 4.787 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.892 -15.507 5.798 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.637 -13.714 4.530 1.00 0.00 N ATOM 0 H ASN A 69 9.561 -13.069 5.058 1.00 0.00 H new ATOM 0 HA ASN A 69 10.272 -15.319 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.776 -15.532 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.520 -16.435 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.944 -13.330 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.895 -13.197 3.689 1.00 0.00 H new ATOM 1029 N ALA A 70 10.484 -13.246 1.863 1.00 0.00 N ATOM 1030 CA ALA A 70 10.515 -12.283 0.771 1.00 0.00 C ATOM 1031 C ALA A 70 9.351 -12.430 -0.197 1.00 0.00 C ATOM 1032 O ALA A 70 9.015 -11.454 -0.858 1.00 0.00 O ATOM 1033 CB ALA A 70 11.778 -12.471 -0.049 1.00 0.00 C ATOM 0 H ALA A 70 11.370 -13.735 1.991 1.00 0.00 H new ATOM 0 HA ALA A 70 10.464 -11.303 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.794 -11.747 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.650 -12.321 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.798 -13.480 -0.460 1.00 0.00 H new ATOM 1039 N ASP A 71 8.749 -13.614 -0.285 1.00 0.00 N ATOM 1040 CA ASP A 71 7.547 -13.840 -1.079 1.00 0.00 C ATOM 1041 C ASP A 71 6.461 -12.804 -0.755 1.00 0.00 C ATOM 1042 O ASP A 71 5.663 -12.442 -1.624 1.00 0.00 O ATOM 1043 CB ASP A 71 7.005 -15.251 -0.828 1.00 0.00 C ATOM 1044 CG ASP A 71 5.708 -15.486 -1.618 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.777 -15.618 -2.863 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.623 -15.581 -0.995 1.00 0.00 O ATOM 0 H ASP A 71 9.085 -14.448 0.196 1.00 0.00 H new ATOM 0 HA ASP A 71 7.818 -13.736 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.752 -15.989 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.818 -15.389 0.237 1.00 0.00 H new ATOM 1051 N ASP A 72 6.459 -12.293 0.482 1.00 0.00 N ATOM 1052 CA ASP A 72 5.510 -11.288 0.945 1.00 0.00 C ATOM 1053 C ASP A 72 5.997 -9.838 0.767 1.00 0.00 C ATOM 1054 O ASP A 72 5.191 -8.922 0.930 1.00 0.00 O ATOM 1055 CB ASP A 72 5.168 -11.558 2.412 1.00 0.00 C ATOM 1056 CG ASP A 72 3.987 -10.701 2.902 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.868 -10.829 2.343 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.154 -9.962 3.901 1.00 0.00 O ATOM 0 H ASP A 72 7.130 -12.575 1.197 1.00 0.00 H new ATOM 0 HA ASP A 72 4.623 -11.378 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.926 -12.613 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.043 -11.355 3.030 1.00 0.00 H new ATOM 1063 N TYR A 73 7.266 -9.582 0.403 1.00 0.00 N ATOM 1064 CA TYR A 73 7.840 -8.240 0.343 1.00 0.00 C ATOM 1065 C TYR A 73 8.306 -7.957 -1.069 1.00 0.00 C ATOM 1066 O TYR A 73 9.260 -8.572 -1.537 1.00 0.00 O ATOM 1067 CB TYR A 73 8.976 -7.982 1.343 1.00 0.00 C ATOM 1068 CG TYR A 73 8.638 -8.309 2.778 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.541 -9.651 3.171 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.392 -7.286 3.708 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.122 -9.994 4.466 1.00 0.00 C ATOM 1072 CE2 TYR A 73 7.991 -7.613 5.016 1.00 0.00 C ATOM 1073 CZ TYR A 73 7.821 -8.967 5.394 1.00 0.00 C ATOM 1074 OH TYR A 73 7.342 -9.255 6.639 1.00 0.00 O ATOM 0 H TYR A 73 7.924 -10.316 0.140 1.00 0.00 H new ATOM 0 HA TYR A 73 7.044 -7.555 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.845 -8.570 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.265 -6.933 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.792 -10.432 2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.510 -6.252 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.030 -11.031 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.812 -6.828 5.735 1.00 0.00 H new ATOM 0 HH TYR A 73 8.077 -9.566 7.208 1.00 0.00 H new ATOM 1084 N ASP A 74 7.644 -7.010 -1.740 1.00 0.00 N ATOM 1085 CA ASP A 74 7.854 -6.820 -3.179 1.00 0.00 C ATOM 1086 C ASP A 74 9.262 -6.345 -3.546 1.00 0.00 C ATOM 1087 O ASP A 74 9.626 -6.349 -4.718 1.00 0.00 O ATOM 1088 CB ASP A 74 6.849 -5.811 -3.745 1.00 0.00 C ATOM 1089 CG ASP A 74 6.531 -6.008 -5.240 1.00 0.00 C ATOM 1090 OD1 ASP A 74 6.532 -7.158 -5.744 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.160 -5.001 -5.890 1.00 0.00 O ATOM 0 H ASP A 74 6.969 -6.372 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 74 7.712 -7.808 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.922 -5.880 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.240 -4.804 -3.598 1.00 0.00 H new ATOM 1096 N VAL A 75 10.053 -5.872 -2.585 1.00 0.00 N ATOM 1097 CA VAL A 75 11.332 -5.230 -2.844 1.00 0.00 C ATOM 1098 C VAL A 75 12.240 -5.663 -1.696 1.00 0.00 C ATOM 1099 O VAL A 75 11.948 -5.369 -0.538 1.00 0.00 O ATOM 1100 CB VAL A 75 11.059 -3.719 -2.924 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.243 -2.753 -2.749 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.253 -3.276 -4.150 1.00 0.00 C ATOM 0 H VAL A 75 9.817 -5.926 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 75 11.823 -5.504 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 75 10.458 -3.625 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.889 -1.725 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.694 -2.904 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.986 -2.944 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.110 -2.196 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.793 -3.546 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.282 -3.771 -4.145 1.00 0.00 H new ATOM 1112 N VAL A 76 13.336 -6.368 -1.966 1.00 0.00 N ATOM 1113 CA VAL A 76 14.172 -6.901 -0.908 1.00 0.00 C ATOM 1114 C VAL A 76 15.603 -6.483 -1.163 1.00 0.00 C ATOM 1115 O VAL A 76 16.106 -6.554 -2.285 1.00 0.00 O ATOM 1116 CB VAL A 76 14.001 -8.423 -0.772 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.623 -8.765 -0.185 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.190 -9.216 -2.069 1.00 0.00 C ATOM 0 H VAL A 76 13.661 -6.580 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 76 13.865 -6.490 0.054 1.00 0.00 H new ATOM 0 HB VAL A 76 14.805 -8.726 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.523 -9.847 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.524 -8.310 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.842 -8.381 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.049 -10.278 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.459 -8.886 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.196 -9.049 -2.454 1.00 0.00 H new ATOM 1128 N ILE A 77 16.240 -6.017 -0.099 1.00 0.00 N ATOM 1129 CA ILE A 77 17.527 -5.372 -0.139 1.00 0.00 C ATOM 1130 C ILE A 77 18.356 -6.132 0.879 1.00 0.00 C ATOM 1131 O ILE A 77 18.231 -5.944 2.087 1.00 0.00 O ATOM 1132 CB ILE A 77 17.366 -3.863 0.147 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.344 -3.158 -0.783 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.734 -3.174 0.077 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.686 -3.198 -2.275 1.00 0.00 C ATOM 0 H ILE A 77 15.855 -6.084 0.843 1.00 0.00 H new ATOM 0 HA ILE A 77 18.023 -5.403 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 77 16.957 -3.774 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.367 -3.619 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.254 -2.116 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.616 -2.109 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.401 -3.613 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.159 -3.309 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.912 -2.679 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.646 -2.709 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.744 -4.234 -2.607 1.00 0.00 H new ATOM 1147 N SER A 78 19.139 -7.085 0.398 1.00 0.00 N ATOM 1148 CA SER A 78 20.135 -7.725 1.229 1.00 0.00 C ATOM 1149 C SER A 78 21.272 -6.711 1.443 1.00 0.00 C ATOM 1150 O SER A 78 21.316 -5.664 0.795 1.00 0.00 O ATOM 1151 CB SER A 78 20.483 -9.050 0.552 1.00 0.00 C ATOM 1152 OG SER A 78 21.545 -9.722 1.186 1.00 0.00 O ATOM 0 H SER A 78 19.101 -7.429 -0.562 1.00 0.00 H new ATOM 0 HA SER A 78 19.816 -7.994 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.603 -9.693 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.747 -8.863 -0.489 1.00 0.00 H new ATOM 0 HG SER A 78 22.391 -9.475 0.757 1.00 0.00 H new ATOM 1158 N LEU A 79 22.169 -6.956 2.390 1.00 0.00 N ATOM 1159 CA LEU A 79 23.380 -6.166 2.622 1.00 0.00 C ATOM 1160 C LEU A 79 24.464 -7.158 3.055 1.00 0.00 C ATOM 1161 O LEU A 79 25.218 -6.919 3.995 1.00 0.00 O ATOM 1162 CB LEU A 79 23.211 -5.031 3.665 1.00 0.00 C ATOM 1163 CG LEU A 79 22.273 -3.878 3.270 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.793 -4.103 3.602 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.701 -2.590 3.985 1.00 0.00 C ATOM 0 H LEU A 79 22.074 -7.735 3.041 1.00 0.00 H new ATOM 0 HA LEU A 79 23.643 -5.641 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.842 -5.470 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.195 -4.614 3.879 1.00 0.00 H new ATOM 0 HG LEU A 79 22.361 -3.812 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.213 -3.236 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.434 -4.990 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.679 -4.244 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.033 -1.777 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.653 -2.739 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.722 -2.337 3.699 1.00 0.00 H new ATOM 1177 N CYS A 80 24.488 -8.325 2.408 1.00 0.00 N ATOM 1178 CA CYS A 80 25.329 -9.448 2.777 1.00 0.00 C ATOM 1179 C CYS A 80 26.579 -9.526 1.889 1.00 0.00 C ATOM 1180 O CYS A 80 27.283 -10.536 1.915 1.00 0.00 O ATOM 1181 CB CYS A 80 24.503 -10.747 2.769 1.00 0.00 C ATOM 1182 SG CYS A 80 23.055 -10.603 3.863 1.00 0.00 S ATOM 0 H CYS A 80 23.905 -8.512 1.592 1.00 0.00 H new ATOM 0 HA CYS A 80 25.695 -9.302 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.176 -10.968 1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.126 -11.581 3.092 1.00 0.00 H new ATOM 0 HG CYS A 80 22.025 -10.217 3.171 1.00 0.00 H new ATOM 1188 N GLY A 81 26.864 -8.480 1.106 1.00 0.00 N ATOM 1189 CA GLY A 81 28.071 -8.400 0.290 1.00 0.00 C ATOM 1190 C GLY A 81 27.844 -8.948 -1.115 1.00 0.00 C ATOM 1191 O GLY A 81 28.802 -9.362 -1.766 1.00 0.00 O ATOM 0 H GLY A 81 26.258 -7.663 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.398 -7.362 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.873 -8.958 0.772 1.00 0.00 H new ATOM 1195 N CYS A 82 26.583 -8.954 -1.567 1.00 0.00 N ATOM 1196 CA CYS A 82 26.137 -9.483 -2.857 1.00 0.00 C ATOM 1197 C CYS A 82 26.754 -10.865 -3.158 1.00 0.00 C ATOM 1198 O CYS A 82 27.272 -11.114 -4.251 1.00 0.00 O ATOM 1199 CB CYS A 82 26.382 -8.418 -3.941 1.00 0.00 C ATOM 1200 SG CYS A 82 25.251 -8.662 -5.341 1.00 0.00 S ATOM 0 H CYS A 82 25.814 -8.572 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 82 25.065 -9.679 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.239 -7.423 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.414 -8.473 -4.286 1.00 0.00 H new ATOM 0 HG CYS A 82 25.474 -7.752 -6.242 1.00 0.00 H new ATOM 1206 N GLY A 83 26.738 -11.758 -2.158 1.00 0.00 N ATOM 1207 CA GLY A 83 27.430 -13.042 -2.216 1.00 0.00 C ATOM 1208 C GLY A 83 26.770 -14.086 -1.320 1.00 0.00 C ATOM 1209 O GLY A 83 27.468 -14.894 -0.703 1.00 0.00 O ATOM 0 H GLY A 83 26.239 -11.603 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.441 -13.402 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.469 -12.908 -1.913 1.00 0.00 H new ATOM 1213 N VAL A 84 25.436 -14.056 -1.219 1.00 0.00 N ATOM 1214 CA VAL A 84 24.635 -15.000 -0.456 1.00 0.00 C ATOM 1215 C VAL A 84 23.640 -15.647 -1.415 1.00 0.00 C ATOM 1216 O VAL A 84 22.979 -14.949 -2.188 1.00 0.00 O ATOM 1217 CB VAL A 84 23.973 -14.296 0.744 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.094 -15.241 1.580 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.081 -13.744 1.644 1.00 0.00 C ATOM 0 H VAL A 84 24.872 -13.346 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 84 25.249 -15.789 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 84 23.328 -13.509 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.654 -14.689 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.300 -15.648 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.704 -16.057 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.636 -13.240 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.710 -14.564 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.687 -13.034 1.081 1.00 0.00 H new ATOM 1229 N ASN A 85 23.519 -16.976 -1.356 1.00 0.00 N ATOM 1230 CA ASN A 85 22.506 -17.738 -2.087 1.00 0.00 C ATOM 1231 C ASN A 85 21.181 -17.605 -1.333 1.00 0.00 C ATOM 1232 O ASN A 85 20.750 -18.532 -0.641 1.00 0.00 O ATOM 1233 CB ASN A 85 22.926 -19.211 -2.265 1.00 0.00 C ATOM 1234 CG ASN A 85 24.045 -19.397 -3.286 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.024 -18.811 -4.368 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.052 -20.206 -2.979 1.00 0.00 N ATOM 0 H ASN A 85 24.133 -17.561 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 85 22.392 -17.339 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.250 -19.608 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.059 -19.795 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.815 -20.345 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.063 -20.688 -2.080 1.00 0.00 H new ATOM 1243 N LEU A 86 20.565 -16.420 -1.400 1.00 0.00 N ATOM 1244 CA LEU A 86 19.243 -16.170 -0.822 1.00 0.00 C ATOM 1245 C LEU A 86 18.236 -17.159 -1.443 1.00 0.00 C ATOM 1246 O LEU A 86 18.387 -17.489 -2.626 1.00 0.00 O ATOM 1247 CB LEU A 86 18.777 -14.726 -1.103 1.00 0.00 C ATOM 1248 CG LEU A 86 19.727 -13.589 -0.675 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.168 -12.249 -1.160 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.932 -13.512 0.843 1.00 0.00 C ATOM 0 H LEU A 86 20.972 -15.605 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 86 19.301 -16.306 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.595 -14.631 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.821 -14.575 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 86 20.695 -13.804 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.839 -11.444 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.083 -12.262 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.184 -12.085 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.610 -12.692 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.973 -13.340 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.359 -14.449 1.201 1.00 0.00 H new ATOM 1262 N PRO A 87 17.218 -17.630 -0.696 1.00 0.00 N ATOM 1263 CA PRO A 87 16.193 -18.510 -1.250 1.00 0.00 C ATOM 1264 C PRO A 87 15.508 -17.907 -2.484 1.00 0.00 C ATOM 1265 O PRO A 87 15.420 -16.682 -2.573 1.00 0.00 O ATOM 1266 CB PRO A 87 15.168 -18.722 -0.142 1.00 0.00 C ATOM 1267 CG PRO A 87 15.912 -18.380 1.151 1.00 0.00 C ATOM 1268 CD PRO A 87 17.016 -17.413 0.728 1.00 0.00 C ATOM 0 HA PRO A 87 16.648 -19.444 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.298 -18.079 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.806 -19.750 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.245 -17.922 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.327 -19.274 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.728 -16.381 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.934 -17.601 1.285 1.00 0.00 H new ATOM 1276 N PRO A 88 14.937 -18.723 -3.389 1.00 0.00 N ATOM 1277 CA PRO A 88 14.393 -18.236 -4.652 1.00 0.00 C ATOM 1278 C PRO A 88 13.363 -17.105 -4.547 1.00 0.00 C ATOM 1279 O PRO A 88 13.261 -16.274 -5.447 1.00 0.00 O ATOM 1280 CB PRO A 88 13.788 -19.461 -5.344 1.00 0.00 C ATOM 1281 CG PRO A 88 14.614 -20.617 -4.795 1.00 0.00 C ATOM 1282 CD PRO A 88 14.928 -20.181 -3.364 1.00 0.00 C ATOM 0 HA PRO A 88 15.203 -17.773 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.730 -19.575 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.867 -19.390 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.058 -21.554 -4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.523 -20.773 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.179 -20.556 -2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.891 -20.573 -3.038 1.00 0.00 H new ATOM 1290 N GLU A 89 12.601 -17.031 -3.454 1.00 0.00 N ATOM 1291 CA GLU A 89 11.590 -16.002 -3.283 1.00 0.00 C ATOM 1292 C GLU A 89 12.226 -14.618 -3.167 1.00 0.00 C ATOM 1293 O GLU A 89 11.628 -13.617 -3.548 1.00 0.00 O ATOM 1294 CB GLU A 89 10.703 -16.321 -2.079 1.00 0.00 C ATOM 1295 CG GLU A 89 11.452 -16.622 -0.775 1.00 0.00 C ATOM 1296 CD GLU A 89 10.462 -16.958 0.351 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.852 -16.013 0.901 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.305 -18.157 0.690 1.00 0.00 O ATOM 0 H GLU A 89 12.671 -17.681 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 89 10.957 -15.989 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.034 -15.478 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.078 -17.179 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.136 -17.457 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.057 -15.762 -0.490 1.00 0.00 H new ATOM 1305 N TRP A 90 13.464 -14.541 -2.691 1.00 0.00 N ATOM 1306 CA TRP A 90 14.181 -13.288 -2.575 1.00 0.00 C ATOM 1307 C TRP A 90 14.611 -12.711 -3.930 1.00 0.00 C ATOM 1308 O TRP A 90 15.132 -11.599 -3.942 1.00 0.00 O ATOM 1309 CB TRP A 90 15.374 -13.465 -1.629 1.00 0.00 C ATOM 1310 CG TRP A 90 15.040 -13.695 -0.180 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.633 -14.863 0.363 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.023 -12.734 0.922 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.351 -14.690 1.706 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.532 -13.382 2.093 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.273 -11.351 1.020 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.299 -12.697 3.292 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.028 -10.641 2.211 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.552 -11.316 3.352 1.00 0.00 C ATOM 0 H TRP A 90 13.996 -15.352 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 90 13.495 -12.553 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.970 -14.307 -1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.003 -12.577 -1.700 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.541 -15.796 -0.173 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.047 -15.437 2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.662 -10.823 0.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.930 -13.223 4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.205 -9.576 2.250 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.382 -10.774 4.270 1.00 0.00 H new ATOM 1329 N VAL A 91 14.383 -13.390 -5.064 1.00 0.00 N ATOM 1330 CA VAL A 91 14.793 -12.907 -6.380 1.00 0.00 C ATOM 1331 C VAL A 91 13.621 -12.730 -7.360 1.00 0.00 C ATOM 1332 O VAL A 91 13.815 -12.159 -8.435 1.00 0.00 O ATOM 1333 CB VAL A 91 15.951 -13.756 -6.949 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.199 -13.676 -6.053 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.627 -15.238 -7.175 1.00 0.00 C ATOM 0 H VAL A 91 13.907 -14.292 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 91 15.180 -11.897 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 91 16.133 -13.312 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.995 -14.285 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.532 -12.640 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.956 -14.046 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.505 -15.745 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.343 -15.697 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.802 -15.326 -7.882 1.00 0.00 H new ATOM 1345 N THR A 92 12.402 -13.150 -7.009 1.00 0.00 N ATOM 1346 CA THR A 92 11.222 -13.040 -7.879 1.00 0.00 C ATOM 1347 C THR A 92 10.500 -11.686 -7.731 1.00 0.00 C ATOM 1348 O THR A 92 9.694 -11.303 -8.582 1.00 0.00 O ATOM 1349 CB THR A 92 10.295 -14.222 -7.561 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.117 -14.342 -6.158 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.940 -15.514 -8.061 1.00 0.00 C ATOM 0 H THR A 92 12.202 -13.580 -6.106 1.00 0.00 H new ATOM 0 HA THR A 92 11.536 -13.079 -8.922 1.00 0.00 H new ATOM 0 HB THR A 92 9.334 -14.051 -8.046 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.523 -15.098 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.286 -16.357 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.095 -15.450 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.899 -15.658 -7.564 1.00 0.00 H new ATOM 1359 N GLN A 93 10.807 -10.970 -6.650 1.00 0.00 N ATOM 1360 CA GLN A 93 10.368 -9.647 -6.279 1.00 0.00 C ATOM 1361 C GLN A 93 10.620 -8.589 -7.363 1.00 0.00 C ATOM 1362 O GLN A 93 11.424 -8.790 -8.279 1.00 0.00 O ATOM 1363 CB GLN A 93 11.139 -9.344 -4.986 1.00 0.00 C ATOM 1364 CG GLN A 93 10.830 -10.261 -3.797 1.00 0.00 C ATOM 1365 CD GLN A 93 9.411 -10.851 -3.819 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.388 -10.168 -3.890 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.334 -12.167 -3.886 1.00 0.00 N ATOM 0 H GLN A 93 11.437 -11.354 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 93 9.287 -9.613 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.206 -9.403 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.929 -8.316 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.552 -11.077 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.965 -9.699 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.182 -12.731 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.427 -12.620 -3.997 1.00 0.00 H new ATOM 1376 N GLU A 94 9.944 -7.443 -7.239 1.00 0.00 N ATOM 1377 CA GLU A 94 10.096 -6.300 -8.111 1.00 0.00 C ATOM 1378 C GLU A 94 11.512 -5.746 -7.951 1.00 0.00 C ATOM 1379 O GLU A 94 12.163 -5.456 -8.961 1.00 0.00 O ATOM 1380 CB GLU A 94 8.996 -5.272 -7.792 1.00 0.00 C ATOM 1381 CG GLU A 94 9.364 -3.812 -8.048 1.00 0.00 C ATOM 1382 CD GLU A 94 9.687 -3.468 -9.517 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.203 -4.158 -10.447 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.394 -2.459 -9.752 1.00 0.00 O ATOM 0 H GLU A 94 9.256 -7.292 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 94 9.974 -6.574 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.114 -5.515 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.716 -5.379 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.539 -3.182 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.227 -3.557 -7.433 1.00 0.00 H new ATOM 1391 N ILE A 95 12.013 -5.678 -6.708 1.00 0.00 N ATOM 1392 CA ILE A 95 13.422 -5.375 -6.479 1.00 0.00 C ATOM 1393 C ILE A 95 14.079 -6.503 -5.698 1.00 0.00 C ATOM 1394 O ILE A 95 13.512 -7.046 -4.749 1.00 0.00 O ATOM 1395 CB ILE A 95 13.638 -4.038 -5.735 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.248 -2.780 -6.520 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.097 -3.839 -5.280 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.013 -2.511 -7.823 1.00 0.00 C ATOM 0 H ILE A 95 11.466 -5.828 -5.860 1.00 0.00 H new ATOM 0 HA ILE A 95 13.884 -5.277 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 95 12.965 -4.141 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.186 -2.843 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.378 -1.918 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.190 -2.884 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.381 -4.646 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.754 -3.846 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.642 -1.594 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.076 -2.404 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.865 -3.344 -8.510 1.00 0.00 H new ATOM 1410 N PHE A 96 15.310 -6.796 -6.101 1.00 0.00 N ATOM 1411 CA PHE A 96 16.258 -7.618 -5.396 1.00 0.00 C ATOM 1412 C PHE A 96 17.550 -6.853 -5.651 1.00 0.00 C ATOM 1413 O PHE A 96 17.983 -6.729 -6.802 1.00 0.00 O ATOM 1414 CB PHE A 96 16.384 -9.067 -5.874 1.00 0.00 C ATOM 1415 CG PHE A 96 17.692 -9.679 -5.379 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.102 -9.499 -4.037 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.591 -10.257 -6.296 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.407 -9.839 -3.636 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.881 -10.645 -5.881 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.294 -10.423 -4.555 1.00 0.00 C ATOM 0 H PHE A 96 15.684 -6.440 -6.981 1.00 0.00 H new ATOM 0 HA PHE A 96 15.966 -7.754 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.540 -9.652 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.348 -9.102 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.407 -9.097 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.290 -10.404 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.727 -9.651 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.554 -11.114 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.290 -10.701 -4.244 1.00 0.00 H new ATOM 1430 N GLU A 97 18.133 -6.309 -4.595 1.00 0.00 N ATOM 1431 CA GLU A 97 19.460 -5.728 -4.624 1.00 0.00 C ATOM 1432 C GLU A 97 20.185 -6.214 -3.370 1.00 0.00 C ATOM 1433 O GLU A 97 19.589 -6.800 -2.459 1.00 0.00 O ATOM 1434 CB GLU A 97 19.379 -4.189 -4.691 1.00 0.00 C ATOM 1435 CG GLU A 97 19.079 -3.639 -6.092 1.00 0.00 C ATOM 1436 CD GLU A 97 18.958 -2.103 -6.121 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.875 -1.401 -5.631 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.956 -1.589 -6.673 1.00 0.00 O ATOM 0 H GLU A 97 17.687 -6.259 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 97 20.010 -6.038 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.605 -3.846 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.323 -3.770 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.870 -3.949 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.151 -4.078 -6.458 1.00 0.00 H new ATOM 1445 N ASP A 98 21.485 -5.948 -3.321 1.00 0.00 N ATOM 1446 CA ASP A 98 22.306 -6.198 -2.152 1.00 0.00 C ATOM 1447 C ASP A 98 23.221 -5.009 -1.958 1.00 0.00 C ATOM 1448 O ASP A 98 24.154 -4.780 -2.737 1.00 0.00 O ATOM 1449 CB ASP A 98 23.097 -7.498 -2.225 1.00 0.00 C ATOM 1450 CG ASP A 98 23.818 -7.755 -0.892 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.761 -7.025 -0.521 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.484 -8.746 -0.213 1.00 0.00 O ATOM 0 H ASP A 98 22.001 -5.548 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 98 21.646 -6.322 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.427 -8.328 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.824 -7.445 -3.036 1.00 0.00 H new ATOM 1457 N TRP A 99 22.917 -4.197 -0.953 1.00 0.00 N ATOM 1458 CA TRP A 99 23.670 -3.001 -0.634 1.00 0.00 C ATOM 1459 C TRP A 99 24.838 -3.407 0.253 1.00 0.00 C ATOM 1460 O TRP A 99 24.904 -3.093 1.437 1.00 0.00 O ATOM 1461 CB TRP A 99 22.745 -1.903 -0.103 1.00 0.00 C ATOM 1462 CG TRP A 99 21.692 -1.476 -1.079 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.586 -1.825 -2.386 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.541 -0.634 -0.815 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.424 -1.315 -2.914 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.726 -0.599 -1.980 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.096 0.087 0.308 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.502 0.066 -2.021 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.870 0.773 0.273 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.066 0.737 -0.875 1.00 0.00 C ATOM 0 H TRP A 99 22.126 -4.358 -0.329 1.00 0.00 H new ATOM 0 HA TRP A 99 24.112 -2.536 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.261 -2.257 0.807 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.346 -1.036 0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.308 -2.416 -2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.121 -1.453 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.700 0.113 1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.903 0.063 -2.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.544 1.333 1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.105 1.230 -0.874 1.00 0.00 H new ATOM 1481 N GLN A 100 25.769 -4.098 -0.399 1.00 0.00 N ATOM 1482 CA GLN A 100 27.119 -4.511 -0.022 1.00 0.00 C ATOM 1483 C GLN A 100 28.011 -3.392 0.590 1.00 0.00 C ATOM 1484 O GLN A 100 29.218 -3.582 0.729 1.00 0.00 O ATOM 1485 CB GLN A 100 27.759 -5.034 -1.324 1.00 0.00 C ATOM 1486 CG GLN A 100 27.846 -3.999 -2.470 1.00 0.00 C ATOM 1487 CD GLN A 100 27.784 -4.662 -3.848 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.807 -4.903 -4.487 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.588 -4.973 -4.336 1.00 0.00 N ATOM 0 H GLN A 100 25.562 -4.429 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 100 27.047 -5.254 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.764 -5.391 -1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.186 -5.893 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.029 -3.284 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.775 -3.436 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.748 -4.768 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.510 -5.417 -5.251 1.00 0.00 H new ATOM 1498 N LEU A 101 27.455 -2.210 0.875 1.00 0.00 N ATOM 1499 CA LEU A 101 28.152 -0.981 1.234 1.00 0.00 C ATOM 1500 C LEU A 101 28.954 -1.153 2.522 1.00 0.00 C ATOM 1501 O LEU A 101 28.376 -1.478 3.561 1.00 0.00 O ATOM 1502 CB LEU A 101 27.131 0.180 1.423 1.00 0.00 C ATOM 1503 CG LEU A 101 26.696 0.982 0.174 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.831 1.894 -0.304 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.268 0.086 -0.992 1.00 0.00 C ATOM 0 H LEU A 101 26.443 -2.083 0.859 1.00 0.00 H new ATOM 0 HA LEU A 101 28.839 -0.743 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.234 -0.237 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.556 0.884 2.139 1.00 0.00 H new ATOM 0 HG LEU A 101 25.834 1.573 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.505 2.450 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.095 2.593 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.701 1.289 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.974 0.706 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.100 -0.555 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.424 -0.532 -0.685 1.00 0.00 H new ATOM 1517 N GLU A 102 30.246 -0.827 2.452 1.00 0.00 N ATOM 1518 CA GLU A 102 31.176 -0.697 3.567 1.00 0.00 C ATOM 1519 C GLU A 102 31.185 -1.913 4.513 1.00 0.00 C ATOM 1520 O GLU A 102 30.846 -3.031 4.124 1.00 0.00 O ATOM 1521 CB GLU A 102 30.936 0.680 4.229 1.00 0.00 C ATOM 1522 CG GLU A 102 32.203 1.550 4.273 1.00 0.00 C ATOM 1523 CD GLU A 102 33.325 0.947 5.134 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.090 0.708 6.342 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.436 0.711 4.604 1.00 0.00 O ATOM 0 H GLU A 102 30.696 -0.635 1.557 1.00 0.00 H new ATOM 0 HA GLU A 102 32.204 -0.713 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.156 1.210 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.568 0.531 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.572 1.695 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.946 2.535 4.662 1.00 0.00 H new ATOM 1532 N ASP A 103 31.674 -1.706 5.732 1.00 0.00 N ATOM 1533 CA ASP A 103 31.943 -2.693 6.775 1.00 0.00 C ATOM 1534 C ASP A 103 32.148 -1.940 8.104 1.00 0.00 C ATOM 1535 O ASP A 103 33.274 -1.812 8.592 1.00 0.00 O ATOM 1536 CB ASP A 103 33.175 -3.532 6.402 1.00 0.00 C ATOM 1537 CG ASP A 103 33.569 -4.509 7.522 1.00 0.00 C ATOM 1538 OD1 ASP A 103 32.671 -5.063 8.202 1.00 0.00 O ATOM 1539 OD2 ASP A 103 34.781 -4.786 7.685 1.00 0.00 O ATOM 0 H ASP A 103 31.913 -0.764 6.042 1.00 0.00 H new ATOM 0 HA ASP A 103 31.105 -3.383 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.970 -4.091 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 103 34.013 -2.869 6.188 1.00 0.00 H new ATOM 1544 N PRO A 104 31.072 -1.362 8.683 1.00 0.00 N ATOM 1545 CA PRO A 104 31.186 -0.451 9.813 1.00 0.00 C ATOM 1546 C PRO A 104 31.520 -1.142 11.152 1.00 0.00 C ATOM 1547 O PRO A 104 31.721 -0.452 12.150 1.00 0.00 O ATOM 1548 CB PRO A 104 29.868 0.329 9.858 1.00 0.00 C ATOM 1549 CG PRO A 104 28.855 -0.627 9.229 1.00 0.00 C ATOM 1550 CD PRO A 104 29.683 -1.488 8.265 1.00 0.00 C ATOM 0 HA PRO A 104 32.037 0.214 9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.592 0.588 10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.937 1.263 9.300 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.365 -1.239 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.071 -0.083 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.361 -2.529 8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.556 -1.150 7.237 1.00 0.00 H new ATOM 1558 N ASP A 105 31.579 -2.481 11.199 1.00 0.00 N ATOM 1559 CA ASP A 105 31.759 -3.253 12.436 1.00 0.00 C ATOM 1560 C ASP A 105 33.021 -2.871 13.218 1.00 0.00 C ATOM 1561 O ASP A 105 33.009 -2.871 14.451 1.00 0.00 O ATOM 1562 CB ASP A 105 31.808 -4.739 12.102 1.00 0.00 C ATOM 1563 CG ASP A 105 31.889 -5.584 13.383 1.00 0.00 C ATOM 1564 OD1 ASP A 105 30.853 -5.704 14.077 1.00 0.00 O ATOM 1565 OD2 ASP A 105 32.969 -6.152 13.671 1.00 0.00 O ATOM 0 H ASP A 105 31.502 -3.066 10.367 1.00 0.00 H new ATOM 0 HA ASP A 105 30.908 -3.020 13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 105 30.921 -5.018 11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 105 32.671 -4.946 11.469 1.00 0.00 H new ATOM 1570 N GLY A 106 34.086 -2.510 12.494 1.00 0.00 N ATOM 1571 CA GLY A 106 35.409 -2.224 13.047 1.00 0.00 C ATOM 1572 C GLY A 106 35.912 -0.825 12.684 1.00 0.00 C ATOM 1573 O GLY A 106 37.086 -0.677 12.336 1.00 0.00 O ATOM 0 H GLY A 106 34.048 -2.407 11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 106 35.374 -2.323 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 106 36.119 -2.967 12.682 1.00 0.00 H new ATOM 1577 N GLN A 107 35.033 0.188 12.715 1.00 0.00 N ATOM 1578 CA GLN A 107 35.345 1.559 12.302 1.00 0.00 C ATOM 1579 C GLN A 107 35.242 2.548 13.474 1.00 0.00 C ATOM 1580 O GLN A 107 35.325 2.176 14.648 1.00 0.00 O ATOM 1581 CB GLN A 107 34.415 1.983 11.143 1.00 0.00 C ATOM 1582 CG GLN A 107 34.468 1.125 9.887 1.00 0.00 C ATOM 1583 CD GLN A 107 35.717 1.311 9.024 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.836 1.500 9.500 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.538 1.322 7.716 1.00 0.00 N ATOM 0 H GLN A 107 34.071 0.073 13.033 1.00 0.00 H new ATOM 0 HA GLN A 107 36.379 1.580 11.957 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.389 1.987 11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.658 3.009 10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.400 0.077 10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.590 1.344 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.608 1.165 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.329 1.488 7.094 1.00 0.00 H new ATOM 1594 N SER A 108 35.047 3.816 13.109 1.00 0.00 N ATOM 1595 CA SER A 108 34.914 4.990 13.949 1.00 0.00 C ATOM 1596 C SER A 108 33.677 5.754 13.480 1.00 0.00 C ATOM 1597 O SER A 108 33.113 5.425 12.430 1.00 0.00 O ATOM 1598 CB SER A 108 36.182 5.866 13.840 1.00 0.00 C ATOM 1599 OG SER A 108 37.369 5.094 13.996 1.00 0.00 O ATOM 0 H SER A 108 34.972 4.062 12.122 1.00 0.00 H new ATOM 0 HA SER A 108 34.802 4.709 14.996 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.197 6.366 12.871 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.152 6.646 14.601 1.00 0.00 H new ATOM 0 HG SER A 108 38.152 5.679 13.920 1.00 0.00 H new ATOM 1605 N LEU A 109 33.293 6.809 14.210 1.00 0.00 N ATOM 1606 CA LEU A 109 32.042 7.543 13.994 1.00 0.00 C ATOM 1607 C LEU A 109 31.938 8.018 12.558 1.00 0.00 C ATOM 1608 O LEU A 109 30.857 7.998 11.986 1.00 0.00 O ATOM 1609 CB LEU A 109 31.929 8.785 14.907 1.00 0.00 C ATOM 1610 CG LEU A 109 31.953 8.582 16.432 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.585 9.898 17.129 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.003 7.474 16.888 1.00 0.00 C ATOM 0 H LEU A 109 33.852 7.181 14.978 1.00 0.00 H new ATOM 0 HA LEU A 109 31.238 6.846 14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.745 9.460 14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.000 9.297 14.656 1.00 0.00 H new ATOM 0 HG LEU A 109 32.963 8.277 16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.602 9.755 18.209 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.305 10.669 16.854 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.587 10.207 16.820 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.058 7.371 17.972 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.983 7.727 16.599 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.290 6.533 16.419 1.00 0.00 H new ATOM 1624 N GLU A 110 33.062 8.405 11.961 1.00 0.00 N ATOM 1625 CA GLU A 110 33.093 8.980 10.624 1.00 0.00 C ATOM 1626 C GLU A 110 32.534 7.999 9.619 1.00 0.00 C ATOM 1627 O GLU A 110 31.773 8.394 8.740 1.00 0.00 O ATOM 1628 CB GLU A 110 34.529 9.363 10.249 1.00 0.00 C ATOM 1629 CG GLU A 110 35.036 10.454 11.188 1.00 0.00 C ATOM 1630 CD GLU A 110 36.399 11.013 10.740 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.453 10.463 11.146 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.429 12.018 9.989 1.00 0.00 O ATOM 0 H GLU A 110 33.981 8.327 12.396 1.00 0.00 H new ATOM 0 HA GLU A 110 32.476 9.878 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.176 8.488 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.564 9.713 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.308 11.264 11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.123 10.052 12.197 1.00 0.00 H new ATOM 1639 N VAL A 111 32.850 6.709 9.755 1.00 0.00 N ATOM 1640 CA VAL A 111 32.344 5.751 8.803 1.00 0.00 C ATOM 1641 C VAL A 111 30.882 5.472 9.108 1.00 0.00 C ATOM 1642 O VAL A 111 30.098 5.432 8.171 1.00 0.00 O ATOM 1643 CB VAL A 111 33.233 4.503 8.732 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.899 3.726 7.456 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.727 4.879 8.701 1.00 0.00 C ATOM 0 H VAL A 111 33.437 6.324 10.495 1.00 0.00 H new ATOM 0 HA VAL A 111 32.383 6.163 7.795 1.00 0.00 H new ATOM 0 HB VAL A 111 33.044 3.899 9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.526 2.837 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.850 3.430 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.082 4.358 6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.329 3.972 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.928 5.497 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.981 5.434 9.604 1.00 0.00 H new ATOM 1655 N PHE A 112 30.466 5.404 10.377 1.00 0.00 N ATOM 1656 CA PHE A 112 29.034 5.350 10.692 1.00 0.00 C ATOM 1657 C PHE A 112 28.270 6.521 10.031 1.00 0.00 C ATOM 1658 O PHE A 112 27.229 6.289 9.424 1.00 0.00 O ATOM 1659 CB PHE A 112 28.783 5.281 12.216 1.00 0.00 C ATOM 1660 CG PHE A 112 29.026 3.921 12.839 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.324 3.515 13.202 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.937 3.058 13.067 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.539 2.248 13.765 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.156 1.782 13.619 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.455 1.381 13.972 1.00 0.00 C ATOM 0 H PHE A 112 31.085 5.385 11.187 1.00 0.00 H new ATOM 0 HA PHE A 112 28.640 4.426 10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.425 6.011 12.709 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.753 5.577 12.414 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.159 4.182 13.046 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.935 3.375 12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.537 1.940 14.039 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.324 1.110 13.771 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.620 0.405 14.403 1.00 0.00 H new ATOM 1675 N ARG A 113 28.801 7.756 10.051 1.00 0.00 N ATOM 1676 CA ARG A 113 28.195 8.909 9.338 1.00 0.00 C ATOM 1677 C ARG A 113 28.189 8.682 7.832 1.00 0.00 C ATOM 1678 O ARG A 113 27.206 8.984 7.162 1.00 0.00 O ATOM 1679 CB ARG A 113 28.962 10.228 9.596 1.00 0.00 C ATOM 1680 CG ARG A 113 29.007 10.687 11.061 1.00 0.00 C ATOM 1681 CD ARG A 113 29.858 11.948 11.263 1.00 0.00 C ATOM 1682 NE ARG A 113 29.123 13.186 10.931 1.00 0.00 N ATOM 1683 CZ ARG A 113 28.425 13.951 11.787 1.00 0.00 C ATOM 1684 NH1 ARG A 113 28.231 13.565 13.043 1.00 0.00 N ATOM 1685 NH2 ARG A 113 27.907 15.106 11.380 1.00 0.00 N ATOM 0 H ARG A 113 29.656 7.989 10.556 1.00 0.00 H new ATOM 0 HA ARG A 113 27.179 8.992 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.985 10.110 9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.505 11.017 8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.992 10.880 11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.407 9.882 11.677 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.192 11.995 12.299 1.00 0.00 H new ATOM 0 HD3 ARG A 113 30.752 11.882 10.643 1.00 0.00 H new ATOM 0 HE ARG A 113 29.148 13.489 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 113 28.614 12.678 13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 113 27.699 14.156 13.682 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.039 15.413 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 113 27.377 15.685 12.032 1.00 0.00 H new ATOM 1699 N THR A 114 29.296 8.184 7.295 1.00 0.00 N ATOM 1700 CA THR A 114 29.487 8.093 5.857 1.00 0.00 C ATOM 1701 C THR A 114 28.594 6.995 5.285 1.00 0.00 C ATOM 1702 O THR A 114 27.940 7.210 4.272 1.00 0.00 O ATOM 1703 CB THR A 114 30.977 7.845 5.564 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.759 8.917 6.062 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.263 7.702 4.066 1.00 0.00 C ATOM 0 H THR A 114 30.082 7.834 7.843 1.00 0.00 H new ATOM 0 HA THR A 114 29.199 9.026 5.373 1.00 0.00 H new ATOM 0 HB THR A 114 31.238 6.910 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.864 8.822 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.328 7.529 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.698 6.860 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.967 8.615 3.550 1.00 0.00 H new ATOM 1713 N VAL A 115 28.514 5.839 5.940 1.00 0.00 N ATOM 1714 CA VAL A 115 27.812 4.665 5.417 1.00 0.00 C ATOM 1715 C VAL A 115 26.346 5.033 5.321 1.00 0.00 C ATOM 1716 O VAL A 115 25.742 4.884 4.271 1.00 0.00 O ATOM 1717 CB VAL A 115 28.075 3.447 6.324 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.202 2.230 5.978 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.531 3.042 6.131 1.00 0.00 C ATOM 0 H VAL A 115 28.937 5.688 6.856 1.00 0.00 H new ATOM 0 HA VAL A 115 28.169 4.380 4.427 1.00 0.00 H new ATOM 0 HB VAL A 115 27.839 3.738 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.438 1.409 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.150 2.495 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.398 1.922 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.755 2.180 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.701 2.783 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.180 3.872 6.410 1.00 0.00 H new ATOM 1729 N ARG A 116 25.814 5.627 6.385 1.00 0.00 N ATOM 1730 CA ARG A 116 24.503 6.258 6.433 1.00 0.00 C ATOM 1731 C ARG A 116 24.269 7.134 5.198 1.00 0.00 C ATOM 1732 O ARG A 116 23.268 6.938 4.522 1.00 0.00 O ATOM 1733 CB ARG A 116 24.513 7.003 7.777 1.00 0.00 C ATOM 1734 CG ARG A 116 23.434 8.051 8.023 1.00 0.00 C ATOM 1735 CD ARG A 116 23.923 9.027 9.089 1.00 0.00 C ATOM 1736 NE ARG A 116 24.771 10.093 8.506 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.047 11.291 9.039 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.636 11.615 10.260 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.765 12.162 8.342 1.00 0.00 N ATOM 0 H ARG A 116 26.308 5.683 7.275 1.00 0.00 H new ATOM 0 HA ARG A 116 23.663 5.564 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.444 6.260 8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.482 7.491 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.209 8.584 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.510 7.571 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.067 9.477 9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.489 8.485 9.847 1.00 0.00 H new ATOM 0 HE ARG A 116 25.191 9.893 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.099 10.946 10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.858 12.533 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.101 11.917 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.981 13.077 8.738 1.00 0.00 H new ATOM 1753 N GLY A 117 25.190 8.028 4.842 1.00 0.00 N ATOM 1754 CA GLY A 117 25.075 8.880 3.652 1.00 0.00 C ATOM 1755 C GLY A 117 24.945 8.074 2.360 1.00 0.00 C ATOM 1756 O GLY A 117 24.118 8.352 1.498 1.00 0.00 O ATOM 0 H GLY A 117 26.046 8.185 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.207 9.531 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.951 9.525 3.586 1.00 0.00 H new ATOM 1760 N GLN A 118 25.743 7.028 2.225 1.00 0.00 N ATOM 1761 CA GLN A 118 25.792 6.229 1.008 1.00 0.00 C ATOM 1762 C GLN A 118 24.573 5.314 0.915 1.00 0.00 C ATOM 1763 O GLN A 118 24.043 5.062 -0.166 1.00 0.00 O ATOM 1764 CB GLN A 118 27.113 5.462 0.982 1.00 0.00 C ATOM 1765 CG GLN A 118 28.256 6.488 1.043 1.00 0.00 C ATOM 1766 CD GLN A 118 29.642 5.842 1.087 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.845 4.796 1.703 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.637 6.456 0.463 1.00 0.00 N ATOM 0 H GLN A 118 26.377 6.707 2.957 1.00 0.00 H new ATOM 0 HA GLN A 118 25.754 6.871 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.172 4.775 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.188 4.861 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.195 7.143 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.126 7.115 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.462 7.323 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.577 6.062 0.492 1.00 0.00 H new ATOM 1777 N VAL A 119 24.078 4.882 2.075 1.00 0.00 N ATOM 1778 CA VAL A 119 22.813 4.184 2.198 1.00 0.00 C ATOM 1779 C VAL A 119 21.717 5.143 1.751 1.00 0.00 C ATOM 1780 O VAL A 119 20.811 4.698 1.067 1.00 0.00 O ATOM 1781 CB VAL A 119 22.607 3.694 3.646 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.177 3.214 3.905 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.549 2.522 3.969 1.00 0.00 C ATOM 0 H VAL A 119 24.558 5.013 2.966 1.00 0.00 H new ATOM 0 HA VAL A 119 22.791 3.294 1.569 1.00 0.00 H new ATOM 0 HB VAL A 119 22.821 4.554 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.087 2.880 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.480 4.033 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.944 2.386 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.384 2.195 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.348 1.695 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.584 2.844 3.853 1.00 0.00 H new ATOM 1793 N LYS A 120 21.789 6.445 2.048 1.00 0.00 N ATOM 1794 CA LYS A 120 20.750 7.379 1.606 1.00 0.00 C ATOM 1795 C LYS A 120 20.608 7.353 0.114 1.00 0.00 C ATOM 1796 O LYS A 120 19.490 7.284 -0.370 1.00 0.00 O ATOM 1797 CB LYS A 120 21.060 8.834 1.943 1.00 0.00 C ATOM 1798 CG LYS A 120 21.236 9.050 3.432 1.00 0.00 C ATOM 1799 CD LYS A 120 20.488 10.309 3.909 1.00 0.00 C ATOM 1800 CE LYS A 120 18.963 10.312 3.603 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.330 11.584 4.068 1.00 0.00 N ATOM 0 H LYS A 120 22.545 6.871 2.585 1.00 0.00 H new ATOM 0 HA LYS A 120 19.850 7.050 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.968 9.140 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.253 9.470 1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.868 8.179 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 120 22.297 9.145 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.629 10.414 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.941 11.183 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.802 10.191 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.487 9.463 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.313 11.564 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.466 11.684 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.771 12.390 3.580 1.00 0.00 H new ATOM 1815 N GLU A 121 21.723 7.430 -0.601 1.00 0.00 N ATOM 1816 CA GLU A 121 21.656 7.477 -2.052 1.00 0.00 C ATOM 1817 C GLU A 121 21.017 6.186 -2.563 1.00 0.00 C ATOM 1818 O GLU A 121 20.198 6.221 -3.476 1.00 0.00 O ATOM 1819 CB GLU A 121 23.055 7.680 -2.652 1.00 0.00 C ATOM 1820 CG GLU A 121 23.690 9.019 -2.253 1.00 0.00 C ATOM 1821 CD GLU A 121 25.060 9.212 -2.929 1.00 0.00 C ATOM 1822 OE1 GLU A 121 26.090 8.743 -2.383 1.00 0.00 O ATOM 1823 OE2 GLU A 121 25.118 9.849 -4.009 1.00 0.00 O ATOM 0 H GLU A 121 22.664 7.461 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 121 21.043 8.323 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.704 6.866 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.990 7.625 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.026 9.837 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.807 9.060 -1.170 1.00 0.00 H new ATOM 1830 N ARG A 122 21.329 5.048 -1.939 1.00 0.00 N ATOM 1831 CA ARG A 122 20.771 3.746 -2.310 1.00 0.00 C ATOM 1832 C ARG A 122 19.282 3.682 -1.990 1.00 0.00 C ATOM 1833 O ARG A 122 18.492 3.332 -2.860 1.00 0.00 O ATOM 1834 CB ARG A 122 21.556 2.659 -1.576 1.00 0.00 C ATOM 1835 CG ARG A 122 23.003 2.578 -2.095 1.00 0.00 C ATOM 1836 CD ARG A 122 23.276 1.360 -2.979 1.00 0.00 C ATOM 1837 NE ARG A 122 22.241 1.079 -4.004 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.208 1.494 -5.279 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.029 2.452 -5.703 1.00 0.00 N ATOM 1840 NH2 ARG A 122 21.344 0.942 -6.129 1.00 0.00 N ATOM 0 H ARG A 122 21.981 5.004 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 122 20.865 3.591 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.561 2.868 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.063 1.696 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.227 3.483 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.683 2.557 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 122 24.233 1.503 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 122 23.379 0.483 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 122 21.458 0.499 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.692 2.879 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.995 2.760 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 122 20.712 0.208 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.314 1.253 -7.100 1.00 0.00 H new ATOM 1854 N VAL A 123 18.885 4.102 -0.790 1.00 0.00 N ATOM 1855 CA VAL A 123 17.505 4.177 -0.353 1.00 0.00 C ATOM 1856 C VAL A 123 16.734 5.045 -1.324 1.00 0.00 C ATOM 1857 O VAL A 123 15.712 4.630 -1.866 1.00 0.00 O ATOM 1858 CB VAL A 123 17.460 4.717 1.090 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.056 5.110 1.517 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.959 3.700 2.121 1.00 0.00 C ATOM 0 H VAL A 123 19.544 4.409 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 123 17.038 3.192 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 123 18.116 5.587 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.078 5.484 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.679 5.889 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.402 4.240 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.904 4.136 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.337 2.806 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.992 3.433 1.898 1.00 0.00 H new ATOM 1870 N GLU A 124 17.238 6.240 -1.572 1.00 0.00 N ATOM 1871 CA GLU A 124 16.530 7.231 -2.328 1.00 0.00 C ATOM 1872 C GLU A 124 16.426 6.787 -3.792 1.00 0.00 C ATOM 1873 O GLU A 124 15.400 7.018 -4.430 1.00 0.00 O ATOM 1874 CB GLU A 124 17.215 8.567 -2.120 1.00 0.00 C ATOM 1875 CG GLU A 124 16.481 9.660 -2.885 1.00 0.00 C ATOM 1876 CD GLU A 124 16.992 11.061 -2.504 1.00 0.00 C ATOM 1877 OE1 GLU A 124 18.032 11.499 -3.053 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.343 11.740 -1.675 1.00 0.00 O ATOM 0 H GLU A 124 18.157 6.543 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 124 15.501 7.348 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.239 8.810 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.250 8.509 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.610 9.504 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.413 9.594 -2.680 1.00 0.00 H new ATOM 1885 N ASN A 125 17.441 6.078 -4.306 1.00 0.00 N ATOM 1886 CA ASN A 125 17.388 5.450 -5.620 1.00 0.00 C ATOM 1887 C ASN A 125 16.288 4.407 -5.676 1.00 0.00 C ATOM 1888 O ASN A 125 15.483 4.416 -6.598 1.00 0.00 O ATOM 1889 CB ASN A 125 18.711 4.769 -6.003 1.00 0.00 C ATOM 1890 CG ASN A 125 19.578 5.676 -6.867 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.574 5.582 -8.092 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.319 6.579 -6.253 1.00 0.00 N ATOM 0 H ASN A 125 18.322 5.927 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 125 17.190 6.255 -6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.256 4.497 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.503 3.844 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.902 7.215 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.308 6.641 -5.235 1.00 0.00 H new ATOM 1899 N LEU A 126 16.244 3.513 -4.690 1.00 0.00 N ATOM 1900 CA LEU A 126 15.222 2.470 -4.606 1.00 0.00 C ATOM 1901 C LEU A 126 13.837 3.100 -4.626 1.00 0.00 C ATOM 1902 O LEU A 126 12.990 2.697 -5.418 1.00 0.00 O ATOM 1903 CB LEU A 126 15.510 1.580 -3.383 1.00 0.00 C ATOM 1904 CG LEU A 126 14.341 1.024 -2.546 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.638 -0.427 -2.193 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.104 1.774 -1.233 1.00 0.00 C ATOM 0 H LEU A 126 16.918 3.491 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 126 15.251 1.811 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.094 0.728 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.149 2.151 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 126 13.447 1.139 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.818 -0.832 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.747 -1.009 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.562 -0.480 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.266 1.323 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.999 1.715 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.878 2.819 -1.446 1.00 0.00 H new ATOM 1918 N ILE A 127 13.656 4.148 -3.832 1.00 0.00 N ATOM 1919 CA ILE A 127 12.443 4.948 -3.777 1.00 0.00 C ATOM 1920 C ILE A 127 12.133 5.552 -5.144 1.00 0.00 C ATOM 1921 O ILE A 127 10.988 5.485 -5.577 1.00 0.00 O ATOM 1922 CB ILE A 127 12.658 5.991 -2.669 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.244 5.298 -1.355 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.926 7.328 -2.836 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.172 5.710 -0.224 1.00 0.00 C ATOM 0 H ILE A 127 14.376 4.474 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 127 11.564 4.350 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 127 13.705 6.294 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.216 5.562 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.273 4.216 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.158 7.978 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.248 7.806 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.851 7.152 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.867 5.213 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.195 5.423 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.121 6.790 -0.087 1.00 0.00 H new ATOM 1937 N ALA A 128 13.130 6.090 -5.850 1.00 0.00 N ATOM 1938 CA ALA A 128 12.922 6.694 -7.156 1.00 0.00 C ATOM 1939 C ALA A 128 12.347 5.688 -8.162 1.00 0.00 C ATOM 1940 O ALA A 128 11.621 6.093 -9.074 1.00 0.00 O ATOM 1941 CB ALA A 128 14.222 7.330 -7.663 1.00 0.00 C ATOM 0 H ALA A 128 14.098 6.116 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 128 12.180 7.485 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.050 7.778 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.547 8.100 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.994 6.565 -7.745 1.00 0.00 H new ATOM 1947 N LYS A 129 12.642 4.390 -8.009 1.00 0.00 N ATOM 1948 CA LYS A 129 12.073 3.352 -8.857 1.00 0.00 C ATOM 1949 C LYS A 129 10.611 3.067 -8.512 1.00 0.00 C ATOM 1950 O LYS A 129 9.805 2.869 -9.425 1.00 0.00 O ATOM 1951 CB LYS A 129 12.872 2.047 -8.724 1.00 0.00 C ATOM 1952 CG LYS A 129 14.361 2.218 -9.039 1.00 0.00 C ATOM 1953 CD LYS A 129 15.123 0.945 -8.684 1.00 0.00 C ATOM 1954 CE LYS A 129 16.626 1.202 -8.846 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.436 -0.048 -8.878 1.00 0.00 N ATOM 0 H LYS A 129 13.280 4.038 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 129 12.125 3.722 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.763 1.664 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.449 1.299 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.493 2.447 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.765 3.061 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.900 0.646 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.809 0.126 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.795 1.760 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.971 1.830 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.394 0.168 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.494 -0.449 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.987 -0.737 -9.515 1.00 0.00 H new ATOM 1969 N ILE A 130 10.264 3.036 -7.221 1.00 0.00 N ATOM 1970 CA ILE A 130 8.980 2.550 -6.742 1.00 0.00 C ATOM 1971 C ILE A 130 7.930 3.602 -6.384 1.00 0.00 C ATOM 1972 O ILE A 130 6.750 3.373 -6.666 1.00 0.00 O ATOM 1973 CB ILE A 130 9.205 1.573 -5.570 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.961 2.143 -4.352 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.785 0.263 -6.134 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.557 1.079 -3.417 1.00 0.00 C ATOM 0 H ILE A 130 10.881 3.354 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 130 8.537 2.047 -7.602 1.00 0.00 H new ATOM 0 HB ILE A 130 8.235 1.368 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.765 2.787 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.279 2.772 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.951 -0.442 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.084 -0.167 -6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.731 0.470 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.070 1.568 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.758 0.449 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.267 0.464 -3.971 1.00 0.00 H new ATOM 1988 N SER A 131 8.301 4.684 -5.714 1.00 0.00 N ATOM 1989 CA SER A 131 7.356 5.648 -5.184 1.00 0.00 C ATOM 1990 C SER A 131 6.692 6.425 -6.326 1.00 0.00 C ATOM 1991 O SER A 131 7.403 6.872 -7.257 1.00 0.00 O ATOM 1992 CB SER A 131 8.062 6.572 -4.200 1.00 0.00 C ATOM 1993 OG SER A 131 8.623 5.788 -3.148 1.00 0.00 O ATOM 1994 OXT SER A 131 5.453 6.602 -6.289 1.00 0.00 O ATOM 0 H SER A 131 9.276 4.916 -5.523 1.00 0.00 H new ATOM 0 HA SER A 131 6.565 5.127 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.844 7.136 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.358 7.298 -3.794 1.00 0.00 H new ATOM 0 HG SER A 131 8.793 6.359 -2.370 1.00 0.00 H new