USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -113:sc= 1.56 USER MOD Set 1.2: A 80 CYS SG : rot 92:sc= 0.404 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 171:sc= 1.78 (180deg=0.26) USER MOD Set 2.2: A 60 GLN : amide:sc= -0.388 K(o=1.4,f=-7.4!) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.0776! C(o=-0.96!,f=-6.6!) USER MOD Set 3.2: A 13 CYS SG : rot -160:sc= -0.545 USER MOD Set 3.3: A 43 HIS : no HD1:sc= -0.487! K(o=-0.96!,f=-6.6) USER MOD Set 4.1: A 8 CYS SG : rot 79:sc= 0.358 USER MOD Set 4.2: A 15 SER OG : rot 113:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.019) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0996 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.14) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.18) USER MOD Single : A 5 MET CE :methyl -177:sc= -1.02 (180deg=-1.05) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0.886 (180deg=0.685) USER MOD Single : A 12 SER OG : rot 180:sc= 0.164 USER MOD Single : A 16 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.12) USER MOD Single : A 17 MET CE :methyl -175:sc= -2.37 (180deg=-2.43) USER MOD Single : A 24 THR OG1 : rot 99:sc= 0.547 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 34 SER OG : rot -59:sc= 1.25 USER MOD Single : A 35 CYS SG : rot -92:sc= 0.8 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 171:sc= -1.26 (180deg=-1.6) USER MOD Single : A 50 MET CE :methyl -115:sc= -0.153 (180deg=-2.07!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -154:sc= 0.826 USER MOD Single : A 67 ASN : amide:sc= 2.04 K(o=2,f=-0.0051) USER MOD Single : A 69 ASN : amide:sc= 0.87 K(o=0.87,f=-0.019) USER MOD Single : A 73 TYR OH : rot 78:sc= 0.0626 USER MOD Single : A 82 CYS SG : rot 180:sc= 0.306 USER MOD Single : A 85 ASN : amide:sc=-0.00503 X(o=-0.005,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 93 GLN : amide:sc= 0.454 K(o=0.45,f=-2.6) USER MOD Single : A 100 GLN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.0894 X(o=0.089,f=-0.14) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 114 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= 1.51 K(o=1.5,f=-2.7!) USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= 2.45 (180deg=2.36) USER MOD Single : A 125 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 92:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.789 -0.719 1.783 1.00 0.00 N ATOM 2 CA MET A 1 1.696 0.014 0.843 1.00 0.00 C ATOM 3 C MET A 1 2.848 -0.915 0.396 1.00 0.00 C ATOM 4 O MET A 1 3.019 -1.976 0.996 1.00 0.00 O ATOM 5 CB MET A 1 2.170 1.342 1.497 1.00 0.00 C ATOM 6 CG MET A 1 2.444 2.475 0.500 1.00 0.00 C ATOM 7 SD MET A 1 1.045 2.942 -0.560 1.00 0.00 S ATOM 8 CE MET A 1 1.696 4.470 -1.293 1.00 0.00 C ATOM 0 H1 MET A 1 -0.184 -0.695 1.416 1.00 0.00 H new ATOM 0 H2 MET A 1 1.103 -1.707 1.868 1.00 0.00 H new ATOM 0 H3 MET A 1 0.818 -0.265 2.718 1.00 0.00 H new ATOM 0 HA MET A 1 1.164 0.296 -0.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.413 1.674 2.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.078 1.148 2.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.765 3.355 1.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.277 2.180 -0.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.971 4.871 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.878 5.202 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.630 4.255 -1.812 1.00 0.00 H new ATOM 18 N LYS A 2 3.639 -0.586 -0.650 1.00 0.00 N ATOM 19 CA LYS A 2 4.667 -1.519 -1.152 1.00 0.00 C ATOM 20 C LYS A 2 5.708 -1.730 -0.071 1.00 0.00 C ATOM 21 O LYS A 2 6.185 -0.750 0.500 1.00 0.00 O ATOM 22 CB LYS A 2 5.286 -1.086 -2.501 1.00 0.00 C ATOM 23 CG LYS A 2 5.619 0.393 -2.624 1.00 0.00 C ATOM 24 CD LYS A 2 4.756 1.079 -3.693 1.00 0.00 C ATOM 25 CE LYS A 2 4.825 2.599 -3.514 1.00 0.00 C ATOM 26 NZ LYS A 2 4.124 3.333 -4.605 1.00 0.00 N ATOM 0 H LYS A 2 3.586 0.300 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 2 4.185 -2.471 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.198 -1.661 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.595 -1.353 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.465 0.882 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.673 0.510 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.106 0.804 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.723 0.740 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.382 2.869 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.869 2.911 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.991 4.326 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.694 3.291 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.197 2.895 -4.778 1.00 0.00 H new ATOM 40 N LYS A 3 6.009 -2.980 0.261 1.00 0.00 N ATOM 41 CA LYS A 3 6.839 -3.285 1.418 1.00 0.00 C ATOM 42 C LYS A 3 8.270 -3.425 0.953 1.00 0.00 C ATOM 43 O LYS A 3 8.511 -3.967 -0.127 1.00 0.00 O ATOM 44 CB LYS A 3 6.374 -4.548 2.161 1.00 0.00 C ATOM 45 CG LYS A 3 4.851 -4.733 2.246 1.00 0.00 C ATOM 46 CD LYS A 3 4.421 -5.991 3.017 1.00 0.00 C ATOM 47 CE LYS A 3 5.016 -6.085 4.430 1.00 0.00 C ATOM 48 NZ LYS A 3 4.343 -7.125 5.254 1.00 0.00 N ATOM 0 H LYS A 3 5.690 -3.799 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 3 6.753 -2.469 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.803 -5.420 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.778 -4.524 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.414 -3.857 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.443 -4.780 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.334 -6.008 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.717 -6.873 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.080 -6.311 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.927 -5.118 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.809 -7.189 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.343 -6.870 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.405 -8.044 4.771 1.00 0.00 H new ATOM 62 N VAL A 4 9.191 -3.011 1.804 1.00 0.00 N ATOM 63 CA VAL A 4 10.617 -3.069 1.557 1.00 0.00 C ATOM 64 C VAL A 4 11.263 -3.846 2.693 1.00 0.00 C ATOM 65 O VAL A 4 10.762 -3.825 3.818 1.00 0.00 O ATOM 66 CB VAL A 4 11.226 -1.664 1.437 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.664 -1.741 0.896 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.399 -0.746 0.520 1.00 0.00 C ATOM 0 H VAL A 4 8.958 -2.613 2.714 1.00 0.00 H new ATOM 0 HA VAL A 4 10.802 -3.571 0.607 1.00 0.00 H new ATOM 0 HB VAL A 4 11.225 -1.239 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.078 -0.736 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.277 -2.334 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.658 -2.208 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.870 0.236 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.350 -1.179 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.391 -0.644 0.921 1.00 0.00 H new ATOM 78 N MET A 5 12.404 -4.469 2.421 1.00 0.00 N ATOM 79 CA MET A 5 13.188 -5.176 3.410 1.00 0.00 C ATOM 80 C MET A 5 14.636 -4.783 3.222 1.00 0.00 C ATOM 81 O MET A 5 15.077 -4.608 2.083 1.00 0.00 O ATOM 82 CB MET A 5 13.013 -6.673 3.181 1.00 0.00 C ATOM 83 CG MET A 5 13.817 -7.528 4.165 1.00 0.00 C ATOM 84 SD MET A 5 13.469 -7.210 5.914 1.00 0.00 S ATOM 85 CE MET A 5 11.888 -8.076 6.055 1.00 0.00 C ATOM 0 H MET A 5 12.812 -4.493 1.487 1.00 0.00 H new ATOM 0 HA MET A 5 12.870 -4.929 4.423 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.956 -6.927 3.267 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.318 -6.917 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.619 -8.579 3.956 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.879 -7.361 3.985 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.489 -7.943 7.061 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.184 -7.669 5.329 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.036 -9.138 5.861 1.00 0.00 H new ATOM 95 N PHE A 6 15.375 -4.720 4.325 1.00 0.00 N ATOM 96 CA PHE A 6 16.782 -4.386 4.345 1.00 0.00 C ATOM 97 C PHE A 6 17.477 -5.505 5.110 1.00 0.00 C ATOM 98 O PHE A 6 17.311 -5.635 6.324 1.00 0.00 O ATOM 99 CB PHE A 6 16.991 -3.013 4.971 1.00 0.00 C ATOM 100 CG PHE A 6 16.347 -1.913 4.159 1.00 0.00 C ATOM 101 CD1 PHE A 6 17.018 -1.343 3.064 1.00 0.00 C ATOM 102 CD2 PHE A 6 15.019 -1.553 4.422 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.365 -0.397 2.258 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.354 -0.653 3.585 1.00 0.00 C ATOM 105 CZ PHE A 6 15.033 -0.041 2.521 1.00 0.00 C ATOM 0 H PHE A 6 14.994 -4.906 5.253 1.00 0.00 H new ATOM 0 HA PHE A 6 17.205 -4.314 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.577 -3.008 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.059 -2.816 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.035 -1.632 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.507 -1.973 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.890 0.059 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.312 -0.428 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.535 0.697 1.910 1.00 0.00 H new ATOM 115 N VAL A 7 18.198 -6.366 4.402 1.00 0.00 N ATOM 116 CA VAL A 7 18.733 -7.605 4.969 1.00 0.00 C ATOM 117 C VAL A 7 20.150 -7.305 5.451 1.00 0.00 C ATOM 118 O VAL A 7 20.901 -6.637 4.742 1.00 0.00 O ATOM 119 CB VAL A 7 18.697 -8.744 3.924 1.00 0.00 C ATOM 120 CG1 VAL A 7 18.875 -10.122 4.568 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.395 -8.754 3.099 1.00 0.00 C ATOM 0 H VAL A 7 18.430 -6.228 3.418 1.00 0.00 H new ATOM 0 HA VAL A 7 18.128 -7.949 5.808 1.00 0.00 H new ATOM 0 HB VAL A 7 19.535 -8.542 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.843 -10.891 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.836 -10.162 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.073 -10.295 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.425 -9.574 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.543 -8.886 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.295 -7.809 2.565 1.00 0.00 H new ATOM 131 N CYS A 8 20.526 -7.780 6.635 1.00 0.00 N ATOM 132 CA CYS A 8 21.811 -7.455 7.256 1.00 0.00 C ATOM 133 C CYS A 8 22.752 -8.675 7.234 1.00 0.00 C ATOM 134 O CYS A 8 22.321 -9.790 6.935 1.00 0.00 O ATOM 135 CB CYS A 8 21.553 -7.027 8.710 1.00 0.00 C ATOM 136 SG CYS A 8 20.141 -5.882 8.924 1.00 0.00 S ATOM 0 H CYS A 8 19.946 -8.405 7.195 1.00 0.00 H new ATOM 0 HA CYS A 8 22.288 -6.648 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.376 -7.918 9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.453 -6.552 9.101 1.00 0.00 H new ATOM 0 HG CYS A 8 19.029 -6.555 8.896 1.00 0.00 H new ATOM 142 N LYS A 9 24.024 -8.471 7.614 1.00 0.00 N ATOM 143 CA LYS A 9 24.983 -9.561 7.857 1.00 0.00 C ATOM 144 C LYS A 9 25.988 -9.125 8.927 1.00 0.00 C ATOM 145 O LYS A 9 26.140 -9.794 9.947 1.00 0.00 O ATOM 146 CB LYS A 9 25.664 -9.982 6.535 1.00 0.00 C ATOM 147 CG LYS A 9 26.423 -11.314 6.684 1.00 0.00 C ATOM 148 CD LYS A 9 27.074 -11.800 5.376 1.00 0.00 C ATOM 149 CE LYS A 9 28.355 -11.015 5.030 1.00 0.00 C ATOM 150 NZ LYS A 9 28.963 -11.461 3.744 1.00 0.00 N ATOM 0 H LYS A 9 24.417 -7.542 7.762 1.00 0.00 H new ATOM 0 HA LYS A 9 24.462 -10.441 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.911 -10.078 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.356 -9.202 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.196 -11.200 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.733 -12.078 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.313 -12.860 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.359 -11.702 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.122 -9.952 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.081 -11.137 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.947 -11.127 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.947 -12.500 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.421 -11.068 2.949 1.00 0.00 H new ATOM 164 N ARG A 10 26.617 -7.956 8.727 1.00 0.00 N ATOM 165 CA ARG A 10 27.444 -7.276 9.733 1.00 0.00 C ATOM 166 C ARG A 10 26.640 -6.102 10.303 1.00 0.00 C ATOM 167 O ARG A 10 25.459 -5.964 9.985 1.00 0.00 O ATOM 168 CB ARG A 10 28.818 -6.941 9.082 1.00 0.00 C ATOM 169 CG ARG A 10 29.872 -6.311 10.015 1.00 0.00 C ATOM 170 CD ARG A 10 31.312 -6.509 9.533 1.00 0.00 C ATOM 171 NE ARG A 10 31.846 -7.861 9.767 1.00 0.00 N ATOM 172 CZ ARG A 10 33.069 -8.254 9.385 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.855 -7.439 8.678 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.505 -9.468 9.707 1.00 0.00 N ATOM 0 H ARG A 10 26.563 -7.448 7.844 1.00 0.00 H new ATOM 0 HA ARG A 10 27.687 -7.890 10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.233 -7.858 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.646 -6.260 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.672 -5.244 10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.768 -6.742 11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.359 -6.291 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.954 -5.785 10.035 1.00 0.00 H new ATOM 0 HE ARG A 10 31.252 -8.537 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.526 -6.507 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.784 -7.748 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 10 32.909 -10.098 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.435 -9.769 9.417 1.00 0.00 H new ATOM 188 N ASN A 11 27.274 -5.325 11.185 1.00 0.00 N ATOM 189 CA ASN A 11 26.701 -4.280 12.036 1.00 0.00 C ATOM 190 C ASN A 11 25.577 -3.492 11.366 1.00 0.00 C ATOM 191 O ASN A 11 25.737 -2.917 10.290 1.00 0.00 O ATOM 192 CB ASN A 11 27.813 -3.357 12.554 1.00 0.00 C ATOM 193 CG ASN A 11 27.392 -2.579 13.806 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.213 -2.344 14.063 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.351 -2.169 14.617 1.00 0.00 N ATOM 0 H ASN A 11 28.279 -5.418 11.334 1.00 0.00 H new ATOM 0 HA ASN A 11 26.230 -4.780 12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.699 -3.951 12.780 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.092 -2.654 11.770 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.116 -1.653 15.465 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.326 -2.369 14.395 1.00 0.00 H new ATOM 202 N SER A 12 24.439 -3.467 12.047 1.00 0.00 N ATOM 203 CA SER A 12 23.146 -2.931 11.657 1.00 0.00 C ATOM 204 C SER A 12 23.191 -1.456 11.219 1.00 0.00 C ATOM 205 O SER A 12 22.300 -1.007 10.497 1.00 0.00 O ATOM 206 CB SER A 12 22.211 -3.160 12.863 1.00 0.00 C ATOM 207 OG SER A 12 22.575 -4.352 13.565 1.00 0.00 O ATOM 0 H SER A 12 24.397 -3.865 12.985 1.00 0.00 H new ATOM 0 HA SER A 12 22.782 -3.444 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.262 -2.305 13.537 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.179 -3.234 12.521 1.00 0.00 H new ATOM 0 HG SER A 12 21.972 -4.480 14.327 1.00 0.00 H new ATOM 213 N CYS A 13 24.231 -0.698 11.588 1.00 0.00 N ATOM 214 CA CYS A 13 24.427 0.704 11.196 1.00 0.00 C ATOM 215 C CYS A 13 24.483 0.948 9.685 1.00 0.00 C ATOM 216 O CYS A 13 24.381 2.107 9.294 1.00 0.00 O ATOM 217 CB CYS A 13 25.671 1.298 11.883 1.00 0.00 C ATOM 218 SG CYS A 13 27.035 0.107 11.908 1.00 0.00 S ATOM 0 H CYS A 13 24.980 -1.052 12.183 1.00 0.00 H new ATOM 0 HA CYS A 13 23.531 1.220 11.541 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.983 2.201 11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.422 1.591 12.903 1.00 0.00 H new ATOM 0 HG CYS A 13 27.888 0.444 12.829 1.00 0.00 H new ATOM 224 N ARG A 14 24.607 -0.079 8.832 1.00 0.00 N ATOM 225 CA ARG A 14 24.433 0.108 7.380 1.00 0.00 C ATOM 226 C ARG A 14 23.050 -0.371 6.912 1.00 0.00 C ATOM 227 O ARG A 14 22.360 0.343 6.201 1.00 0.00 O ATOM 228 CB ARG A 14 25.636 -0.478 6.590 1.00 0.00 C ATOM 229 CG ARG A 14 25.761 -2.012 6.477 1.00 0.00 C ATOM 230 CD ARG A 14 26.975 -2.415 5.617 1.00 0.00 C ATOM 231 NE ARG A 14 26.911 -3.841 5.218 1.00 0.00 N ATOM 232 CZ ARG A 14 27.850 -4.506 4.528 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.992 -3.919 4.206 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.638 -5.762 4.151 1.00 0.00 N ATOM 0 H ARG A 14 24.824 -1.035 9.114 1.00 0.00 H new ATOM 0 HA ARG A 14 24.443 1.175 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.599 -0.072 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.550 -0.103 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.859 -2.445 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.851 -2.422 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.014 -1.789 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.893 -2.234 6.175 1.00 0.00 H new ATOM 0 HE ARG A 14 26.079 -4.363 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 14 29.164 -2.953 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.700 -4.433 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.759 -6.224 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.354 -6.265 3.627 1.00 0.00 H new ATOM 248 N SER A 15 22.592 -1.527 7.379 1.00 0.00 N ATOM 249 CA SER A 15 21.412 -2.235 6.864 1.00 0.00 C ATOM 250 C SER A 15 20.119 -1.897 7.615 1.00 0.00 C ATOM 251 O SER A 15 19.153 -1.447 7.005 1.00 0.00 O ATOM 252 CB SER A 15 21.771 -3.722 6.940 1.00 0.00 C ATOM 253 OG SER A 15 22.446 -3.942 8.181 1.00 0.00 O ATOM 0 H SER A 15 23.042 -2.018 8.151 1.00 0.00 H new ATOM 0 HA SER A 15 21.189 -1.927 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.873 -4.336 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.408 -4.005 6.102 1.00 0.00 H new ATOM 0 HG SER A 15 21.888 -4.499 8.763 1.00 0.00 H new ATOM 259 N GLN A 16 20.090 -2.015 8.942 1.00 0.00 N ATOM 260 CA GLN A 16 18.969 -1.504 9.738 1.00 0.00 C ATOM 261 C GLN A 16 18.914 0.027 9.648 1.00 0.00 C ATOM 262 O GLN A 16 17.830 0.601 9.713 1.00 0.00 O ATOM 263 CB GLN A 16 19.101 -2.028 11.168 1.00 0.00 C ATOM 264 CG GLN A 16 17.976 -1.560 12.095 1.00 0.00 C ATOM 265 CD GLN A 16 18.195 -2.016 13.536 1.00 0.00 C ATOM 266 OE1 GLN A 16 19.085 -1.533 14.228 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.392 -2.959 14.002 1.00 0.00 N ATOM 0 H GLN A 16 20.827 -2.459 9.490 1.00 0.00 H new ATOM 0 HA GLN A 16 18.017 -1.862 9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.115 -3.118 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.058 -1.705 11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.910 -0.472 12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.023 -1.947 11.733 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.659 -3.345 13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.506 -3.300 14.957 1.00 0.00 H new ATOM 276 N MET A 17 20.047 0.705 9.430 1.00 0.00 N ATOM 277 CA MET A 17 20.019 2.133 9.112 1.00 0.00 C ATOM 278 C MET A 17 19.282 2.379 7.808 1.00 0.00 C ATOM 279 O MET A 17 18.529 3.341 7.711 1.00 0.00 O ATOM 280 CB MET A 17 21.439 2.662 8.965 1.00 0.00 C ATOM 281 CG MET A 17 21.525 4.106 8.438 1.00 0.00 C ATOM 282 SD MET A 17 20.922 5.470 9.476 1.00 0.00 S ATOM 283 CE MET A 17 19.108 5.502 9.543 1.00 0.00 C ATOM 0 H MET A 17 20.980 0.294 9.468 1.00 0.00 H new ATOM 0 HA MET A 17 19.506 2.647 9.925 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.936 2.611 9.934 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.990 2.008 8.290 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.571 4.308 8.207 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.977 4.144 7.497 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.780 6.381 10.098 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.707 5.542 8.530 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.746 4.602 10.041 1.00 0.00 H new ATOM 293 N ALA A 18 19.474 1.526 6.808 1.00 0.00 N ATOM 294 CA ALA A 18 18.769 1.692 5.554 1.00 0.00 C ATOM 295 C ALA A 18 17.262 1.624 5.798 1.00 0.00 C ATOM 296 O ALA A 18 16.539 2.461 5.269 1.00 0.00 O ATOM 297 CB ALA A 18 19.285 0.652 4.560 1.00 0.00 C ATOM 0 H ALA A 18 20.104 0.725 6.844 1.00 0.00 H new ATOM 0 HA ALA A 18 18.958 2.672 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.762 0.766 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.354 0.796 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.107 -0.348 4.955 1.00 0.00 H new ATOM 303 N GLU A 19 16.801 0.757 6.710 1.00 0.00 N ATOM 304 CA GLU A 19 15.415 0.781 7.157 1.00 0.00 C ATOM 305 C GLU A 19 15.085 2.108 7.841 1.00 0.00 C ATOM 306 O GLU A 19 14.013 2.647 7.594 1.00 0.00 O ATOM 307 CB GLU A 19 15.130 -0.390 8.106 1.00 0.00 C ATOM 308 CG GLU A 19 13.621 -0.603 8.312 1.00 0.00 C ATOM 309 CD GLU A 19 13.256 -1.306 9.632 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.097 -2.054 10.188 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.125 -1.100 10.126 1.00 0.00 O ATOM 0 H GLU A 19 17.372 0.034 7.148 1.00 0.00 H new ATOM 0 HA GLU A 19 14.778 0.679 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.574 -1.300 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.605 -0.202 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.121 0.365 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.232 -1.191 7.481 1.00 0.00 H new ATOM 318 N GLY A 20 15.965 2.673 8.678 1.00 0.00 N ATOM 319 CA GLY A 20 15.647 3.881 9.427 1.00 0.00 C ATOM 320 C GLY A 20 15.505 5.085 8.515 1.00 0.00 C ATOM 321 O GLY A 20 14.552 5.848 8.632 1.00 0.00 O ATOM 0 H GLY A 20 16.902 2.307 8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.720 3.732 9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.430 4.071 10.161 1.00 0.00 H new ATOM 325 N PHE A 21 16.404 5.231 7.544 1.00 0.00 N ATOM 326 CA PHE A 21 16.261 6.258 6.521 1.00 0.00 C ATOM 327 C PHE A 21 15.032 5.948 5.688 1.00 0.00 C ATOM 328 O PHE A 21 14.318 6.873 5.327 1.00 0.00 O ATOM 329 CB PHE A 21 17.511 6.334 5.635 1.00 0.00 C ATOM 330 CG PHE A 21 18.638 7.186 6.179 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.421 8.548 6.473 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.922 6.643 6.340 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.473 9.346 6.951 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.970 7.441 6.804 1.00 0.00 C ATOM 335 CZ PHE A 21 20.751 8.794 7.122 1.00 0.00 C ATOM 0 H PHE A 21 17.237 4.651 7.446 1.00 0.00 H new ATOM 0 HA PHE A 21 16.145 7.230 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.886 5.323 5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.221 6.723 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.441 8.979 6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.100 5.604 6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.298 10.385 7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.956 7.016 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.561 9.403 7.495 1.00 0.00 H new ATOM 345 N ALA A 22 14.734 4.682 5.394 1.00 0.00 N ATOM 346 CA ALA A 22 13.633 4.357 4.500 1.00 0.00 C ATOM 347 C ALA A 22 12.281 4.599 5.171 1.00 0.00 C ATOM 348 O ALA A 22 11.387 5.124 4.522 1.00 0.00 O ATOM 349 CB ALA A 22 13.810 2.927 3.983 1.00 0.00 C ATOM 0 H ALA A 22 15.237 3.874 5.761 1.00 0.00 H new ATOM 0 HA ALA A 22 13.648 5.023 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.987 2.678 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.754 2.849 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.815 2.234 4.824 1.00 0.00 H new ATOM 355 N LYS A 23 12.119 4.309 6.466 1.00 0.00 N ATOM 356 CA LYS A 23 10.882 4.617 7.192 1.00 0.00 C ATOM 357 C LYS A 23 10.688 6.128 7.362 1.00 0.00 C ATOM 358 O LYS A 23 9.560 6.585 7.482 1.00 0.00 O ATOM 359 CB LYS A 23 10.820 3.834 8.524 1.00 0.00 C ATOM 360 CG LYS A 23 11.653 4.469 9.646 1.00 0.00 C ATOM 361 CD LYS A 23 11.604 3.711 10.978 1.00 0.00 C ATOM 362 CE LYS A 23 12.348 4.554 12.033 1.00 0.00 C ATOM 363 NZ LYS A 23 12.420 3.883 13.356 1.00 0.00 N ATOM 0 H LYS A 23 12.834 3.858 7.036 1.00 0.00 H new ATOM 0 HA LYS A 23 10.035 4.280 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.781 3.765 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.170 2.816 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.690 4.536 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.303 5.488 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.571 3.543 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.069 2.731 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.358 4.761 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.846 5.515 12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.056 4.417 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.470 3.845 13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.784 2.916 13.236 1.00 0.00 H new ATOM 377 N THR A 24 11.786 6.882 7.374 1.00 0.00 N ATOM 378 CA THR A 24 11.826 8.330 7.495 1.00 0.00 C ATOM 379 C THR A 24 11.456 8.985 6.157 1.00 0.00 C ATOM 380 O THR A 24 10.563 9.828 6.090 1.00 0.00 O ATOM 381 CB THR A 24 13.266 8.652 7.953 1.00 0.00 C ATOM 382 OG1 THR A 24 13.395 8.382 9.335 1.00 0.00 O ATOM 383 CG2 THR A 24 13.780 10.049 7.632 1.00 0.00 C ATOM 0 H THR A 24 12.717 6.474 7.295 1.00 0.00 H new ATOM 0 HA THR A 24 11.104 8.723 8.211 1.00 0.00 H new ATOM 0 HB THR A 24 13.903 7.997 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.813 7.504 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.800 10.156 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.768 10.202 6.553 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.141 10.791 8.111 1.00 0.00 H new ATOM 391 N LEU A 25 12.135 8.577 5.083 1.00 0.00 N ATOM 392 CA LEU A 25 12.090 9.216 3.771 1.00 0.00 C ATOM 393 C LEU A 25 10.953 8.656 2.906 1.00 0.00 C ATOM 394 O LEU A 25 10.436 9.349 2.034 1.00 0.00 O ATOM 395 CB LEU A 25 13.429 8.971 3.055 1.00 0.00 C ATOM 396 CG LEU A 25 14.639 9.741 3.594 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.905 9.256 2.876 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.504 11.255 3.396 1.00 0.00 C ATOM 0 H LEU A 25 12.752 7.765 5.106 1.00 0.00 H new ATOM 0 HA LEU A 25 11.912 10.282 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.653 7.905 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.305 9.223 2.002 1.00 0.00 H new ATOM 0 HG LEU A 25 14.698 9.550 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.770 9.800 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.040 8.190 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.806 9.433 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.387 11.754 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.411 11.476 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.617 11.613 3.920 1.00 0.00 H new ATOM 410 N GLY A 26 10.557 7.408 3.169 1.00 0.00 N ATOM 411 CA GLY A 26 9.510 6.665 2.472 1.00 0.00 C ATOM 412 C GLY A 26 8.204 6.652 3.265 1.00 0.00 C ATOM 413 O GLY A 26 7.322 5.838 2.985 1.00 0.00 O ATOM 0 H GLY A 26 10.984 6.860 3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.337 7.112 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.842 5.641 2.301 1.00 0.00 H new ATOM 417 N ALA A 27 8.088 7.507 4.283 1.00 0.00 N ATOM 418 CA ALA A 27 6.961 7.545 5.199 1.00 0.00 C ATOM 419 C ALA A 27 5.675 7.814 4.417 1.00 0.00 C ATOM 420 O ALA A 27 5.555 8.843 3.750 1.00 0.00 O ATOM 421 CB ALA A 27 7.218 8.619 6.267 1.00 0.00 C ATOM 0 H ALA A 27 8.798 8.208 4.493 1.00 0.00 H new ATOM 0 HA ALA A 27 6.846 6.586 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.376 8.653 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.128 8.376 6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.332 9.590 5.786 1.00 0.00 H new ATOM 427 N GLY A 28 4.725 6.877 4.484 1.00 0.00 N ATOM 428 CA GLY A 28 3.443 7.002 3.789 1.00 0.00 C ATOM 429 C GLY A 28 3.520 6.667 2.301 1.00 0.00 C ATOM 430 O GLY A 28 2.546 6.876 1.576 1.00 0.00 O ATOM 0 H GLY A 28 4.823 6.014 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.716 6.344 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.074 8.021 3.905 1.00 0.00 H new ATOM 434 N LYS A 29 4.659 6.146 1.835 1.00 0.00 N ATOM 435 CA LYS A 29 4.932 5.816 0.445 1.00 0.00 C ATOM 436 C LYS A 29 5.319 4.356 0.326 1.00 0.00 C ATOM 437 O LYS A 29 5.082 3.750 -0.710 1.00 0.00 O ATOM 438 CB LYS A 29 6.053 6.713 -0.086 1.00 0.00 C ATOM 439 CG LYS A 29 5.670 8.196 -0.094 1.00 0.00 C ATOM 440 CD LYS A 29 4.546 8.557 -1.082 1.00 0.00 C ATOM 441 CE LYS A 29 4.317 10.076 -1.082 1.00 0.00 C ATOM 442 NZ LYS A 29 3.233 10.489 -2.011 1.00 0.00 N ATOM 0 H LYS A 29 5.446 5.936 2.448 1.00 0.00 H new ATOM 0 HA LYS A 29 4.034 5.985 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.944 6.575 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.312 6.403 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.361 8.484 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.554 8.786 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.809 8.220 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.626 8.042 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.069 10.403 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.242 10.580 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.118 11.522 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.479 10.203 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.342 10.032 -1.730 1.00 0.00 H new ATOM 456 N ILE A 30 5.865 3.769 1.390 1.00 0.00 N ATOM 457 CA ILE A 30 6.228 2.364 1.474 1.00 0.00 C ATOM 458 C ILE A 30 6.008 1.862 2.902 1.00 0.00 C ATOM 459 O ILE A 30 5.776 2.645 3.825 1.00 0.00 O ATOM 460 CB ILE A 30 7.711 2.174 1.073 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.679 3.088 1.856 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.896 2.380 -0.433 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.104 2.530 1.933 1.00 0.00 C ATOM 0 H ILE A 30 6.072 4.282 2.247 1.00 0.00 H new ATOM 0 HA ILE A 30 5.602 1.792 0.790 1.00 0.00 H new ATOM 0 HB ILE A 30 7.966 1.147 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.705 4.070 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.296 3.231 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.945 2.242 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.289 1.656 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.585 3.389 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.734 3.219 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.089 1.561 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.504 2.413 0.926 1.00 0.00 H new ATOM 475 N ALA A 31 6.118 0.547 3.059 1.00 0.00 N ATOM 476 CA ALA A 31 6.202 -0.126 4.354 1.00 0.00 C ATOM 477 C ALA A 31 7.650 -0.609 4.417 1.00 0.00 C ATOM 478 O ALA A 31 8.219 -0.949 3.381 1.00 0.00 O ATOM 479 CB ALA A 31 5.177 -1.262 4.453 1.00 0.00 C ATOM 0 H ALA A 31 6.152 -0.098 2.270 1.00 0.00 H new ATOM 0 HA ALA A 31 5.962 0.520 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.262 -1.745 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.172 -0.857 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.367 -1.993 3.667 1.00 0.00 H new ATOM 485 N VAL A 32 8.272 -0.632 5.591 1.00 0.00 N ATOM 486 CA VAL A 32 9.709 -0.828 5.722 1.00 0.00 C ATOM 487 C VAL A 32 10.038 -1.815 6.864 1.00 0.00 C ATOM 488 O VAL A 32 9.398 -1.753 7.917 1.00 0.00 O ATOM 489 CB VAL A 32 10.315 0.579 5.961 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.753 0.650 5.487 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.577 1.771 5.301 1.00 0.00 C ATOM 0 H VAL A 32 7.790 -0.514 6.482 1.00 0.00 H new ATOM 0 HA VAL A 32 10.136 -1.278 4.826 1.00 0.00 H new ATOM 0 HB VAL A 32 10.216 0.690 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.147 1.650 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.352 -0.081 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.795 0.432 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.096 2.699 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.560 1.634 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.555 1.820 5.677 1.00 0.00 H new ATOM 501 N THR A 33 11.029 -2.706 6.673 1.00 0.00 N ATOM 502 CA THR A 33 11.457 -3.700 7.678 1.00 0.00 C ATOM 503 C THR A 33 12.962 -4.037 7.509 1.00 0.00 C ATOM 504 O THR A 33 13.511 -3.808 6.432 1.00 0.00 O ATOM 505 CB THR A 33 10.592 -4.970 7.533 1.00 0.00 C ATOM 506 OG1 THR A 33 9.235 -4.704 7.192 1.00 0.00 O ATOM 507 CG2 THR A 33 10.578 -5.871 8.775 1.00 0.00 C ATOM 0 H THR A 33 11.563 -2.757 5.805 1.00 0.00 H new ATOM 0 HA THR A 33 11.322 -3.285 8.677 1.00 0.00 H new ATOM 0 HB THR A 33 11.087 -5.491 6.714 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.745 -5.549 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.947 -6.740 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.593 -6.201 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.184 -5.313 9.625 1.00 0.00 H new ATOM 515 N SER A 34 13.642 -4.599 8.519 1.00 0.00 N ATOM 516 CA SER A 34 14.999 -5.158 8.397 1.00 0.00 C ATOM 517 C SER A 34 15.053 -6.539 9.065 1.00 0.00 C ATOM 518 O SER A 34 14.175 -6.867 9.873 1.00 0.00 O ATOM 519 CB SER A 34 16.086 -4.215 8.943 1.00 0.00 C ATOM 520 OG SER A 34 15.877 -3.856 10.291 1.00 0.00 O ATOM 0 H SER A 34 13.259 -4.680 9.461 1.00 0.00 H new ATOM 0 HA SER A 34 15.218 -5.271 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.059 -4.697 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.116 -3.312 8.333 1.00 0.00 H new ATOM 0 HG SER A 34 15.008 -3.412 10.380 1.00 0.00 H new ATOM 526 N CYS A 35 16.067 -7.352 8.745 1.00 0.00 N ATOM 527 CA CYS A 35 16.212 -8.693 9.314 1.00 0.00 C ATOM 528 C CYS A 35 17.664 -9.155 9.316 1.00 0.00 C ATOM 529 O CYS A 35 18.537 -8.509 8.736 1.00 0.00 O ATOM 530 CB CYS A 35 15.311 -9.668 8.534 1.00 0.00 C ATOM 531 SG CYS A 35 15.739 -9.731 6.767 1.00 0.00 S ATOM 0 H CYS A 35 16.805 -7.099 8.088 1.00 0.00 H new ATOM 0 HA CYS A 35 15.898 -8.669 10.358 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.400 -10.666 8.964 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.270 -9.365 8.644 1.00 0.00 H new ATOM 0 HG CYS A 35 15.026 -8.860 6.116 1.00 0.00 H new ATOM 537 N GLY A 36 17.928 -10.267 10.001 1.00 0.00 N ATOM 538 CA GLY A 36 19.258 -10.819 10.240 1.00 0.00 C ATOM 539 C GLY A 36 20.010 -10.041 11.309 1.00 0.00 C ATOM 540 O GLY A 36 20.444 -10.620 12.306 1.00 0.00 O ATOM 0 H GLY A 36 17.189 -10.830 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.169 -11.862 10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.829 -10.806 9.312 1.00 0.00 H new ATOM 544 N LEU A 37 20.076 -8.711 11.153 1.00 0.00 N ATOM 545 CA LEU A 37 20.935 -7.839 11.933 1.00 0.00 C ATOM 546 C LEU A 37 22.361 -8.438 11.888 1.00 0.00 C ATOM 547 O LEU A 37 22.727 -9.142 10.947 1.00 0.00 O ATOM 548 CB LEU A 37 20.266 -7.565 13.305 1.00 0.00 C ATOM 549 CG LEU A 37 19.652 -6.150 13.374 1.00 0.00 C ATOM 550 CD1 LEU A 37 18.374 -6.050 12.529 1.00 0.00 C ATOM 551 CD2 LEU A 37 19.364 -5.726 14.818 1.00 0.00 C ATOM 0 H LEU A 37 19.517 -8.210 10.462 1.00 0.00 H new ATOM 0 HA LEU A 37 21.061 -6.831 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.488 -8.307 13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 21.005 -7.679 14.098 1.00 0.00 H new ATOM 0 HG LEU A 37 20.393 -5.466 12.961 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.969 -5.041 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.608 -6.274 11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.637 -6.764 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.933 -4.725 14.824 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.662 -6.426 15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.293 -5.725 15.389 1.00 0.00 H new ATOM 563 N GLU A 38 23.193 -8.129 12.866 1.00 0.00 N ATOM 564 CA GLU A 38 24.534 -8.704 13.048 1.00 0.00 C ATOM 565 C GLU A 38 24.487 -10.170 13.550 1.00 0.00 C ATOM 566 O GLU A 38 25.497 -10.701 14.017 1.00 0.00 O ATOM 567 CB GLU A 38 25.271 -7.843 14.082 1.00 0.00 C ATOM 568 CG GLU A 38 26.794 -7.865 13.904 1.00 0.00 C ATOM 569 CD GLU A 38 27.496 -7.048 15.002 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.695 -7.573 16.124 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.878 -5.885 14.735 1.00 0.00 O ATOM 0 H GLU A 38 22.955 -7.447 13.587 1.00 0.00 H new ATOM 0 HA GLU A 38 25.043 -8.711 12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.917 -6.815 14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.023 -8.195 15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.151 -8.895 13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.054 -7.462 12.925 1.00 0.00 H new ATOM 578 N SER A 39 23.311 -10.805 13.523 1.00 0.00 N ATOM 579 CA SER A 39 23.034 -12.092 14.171 1.00 0.00 C ATOM 580 C SER A 39 23.187 -11.976 15.705 1.00 0.00 C ATOM 581 O SER A 39 23.405 -12.964 16.413 1.00 0.00 O ATOM 582 CB SER A 39 23.872 -13.215 13.545 1.00 0.00 C ATOM 583 OG SER A 39 23.692 -13.271 12.131 1.00 0.00 O ATOM 0 H SER A 39 22.500 -10.426 13.034 1.00 0.00 H new ATOM 0 HA SER A 39 21.994 -12.367 13.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.926 -13.055 13.773 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.591 -14.171 13.987 1.00 0.00 H new ATOM 0 HG SER A 39 24.239 -13.994 11.760 1.00 0.00 H new ATOM 589 N SER A 40 23.017 -10.747 16.195 1.00 0.00 N ATOM 590 CA SER A 40 23.027 -10.297 17.578 1.00 0.00 C ATOM 591 C SER A 40 22.005 -9.155 17.659 1.00 0.00 C ATOM 592 O SER A 40 21.510 -8.697 16.624 1.00 0.00 O ATOM 593 CB SER A 40 24.438 -9.815 17.963 1.00 0.00 C ATOM 594 OG SER A 40 25.402 -10.854 17.837 1.00 0.00 O ATOM 0 H SER A 40 22.852 -9.964 15.562 1.00 0.00 H new ATOM 0 HA SER A 40 22.767 -11.097 18.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.722 -8.976 17.327 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.430 -9.449 18.990 1.00 0.00 H new ATOM 0 HG SER A 40 26.286 -10.512 18.088 1.00 0.00 H new ATOM 600 N ARG A 41 21.643 -8.720 18.869 1.00 0.00 N ATOM 601 CA ARG A 41 20.642 -7.666 19.082 1.00 0.00 C ATOM 602 C ARG A 41 21.172 -6.285 18.647 1.00 0.00 C ATOM 603 O ARG A 41 22.311 -6.147 18.198 1.00 0.00 O ATOM 604 CB ARG A 41 20.188 -7.697 20.564 1.00 0.00 C ATOM 605 CG ARG A 41 18.985 -8.627 20.807 1.00 0.00 C ATOM 606 CD ARG A 41 19.267 -10.111 20.540 1.00 0.00 C ATOM 607 NE ARG A 41 18.085 -10.941 20.852 1.00 0.00 N ATOM 608 CZ ARG A 41 18.025 -12.280 20.806 1.00 0.00 C ATOM 609 NH1 ARG A 41 19.090 -12.996 20.445 1.00 0.00 N ATOM 610 NH2 ARG A 41 16.891 -12.899 21.122 1.00 0.00 N ATOM 0 H ARG A 41 22.037 -9.090 19.734 1.00 0.00 H new ATOM 0 HA ARG A 41 19.772 -7.854 18.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.022 -8.021 21.187 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.928 -6.687 20.880 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.656 -8.512 21.840 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.159 -8.307 20.172 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.547 -10.249 19.496 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.114 -10.438 21.143 1.00 0.00 H new ATOM 0 HE ARG A 41 17.235 -10.449 21.128 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.962 -12.526 20.200 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.033 -14.014 20.413 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.073 -12.356 21.397 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.839 -13.917 21.089 1.00 0.00 H new ATOM 624 N VAL A 42 20.309 -5.269 18.785 1.00 0.00 N ATOM 625 CA VAL A 42 20.552 -3.850 18.522 1.00 0.00 C ATOM 626 C VAL A 42 21.890 -3.374 19.095 1.00 0.00 C ATOM 627 O VAL A 42 22.378 -3.865 20.116 1.00 0.00 O ATOM 628 CB VAL A 42 19.340 -3.052 19.055 1.00 0.00 C ATOM 629 CG1 VAL A 42 19.590 -1.563 19.342 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.162 -3.162 18.076 1.00 0.00 C ATOM 0 H VAL A 42 19.355 -5.433 19.107 1.00 0.00 H new ATOM 0 HA VAL A 42 20.643 -3.680 17.449 1.00 0.00 H new ATOM 0 HB VAL A 42 19.123 -3.513 20.018 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.672 -1.104 19.711 1.00 0.00 H new ATOM 0 HG12 VAL A 42 20.373 -1.464 20.094 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.902 -1.063 18.425 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.314 -2.596 18.462 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.456 -2.760 17.107 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.879 -4.209 17.964 1.00 0.00 H new ATOM 640 N HIS A 43 22.430 -2.351 18.429 1.00 0.00 N ATOM 641 CA HIS A 43 23.751 -1.798 18.652 1.00 0.00 C ATOM 642 C HIS A 43 23.612 -0.280 18.852 1.00 0.00 C ATOM 643 O HIS A 43 23.226 0.424 17.917 1.00 0.00 O ATOM 644 CB HIS A 43 24.600 -2.202 17.445 1.00 0.00 C ATOM 645 CG HIS A 43 26.017 -1.708 17.516 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.021 -2.190 18.329 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.550 -0.698 16.769 1.00 0.00 C ATOM 648 CE1 HIS A 43 28.137 -1.491 18.064 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.899 -0.572 17.110 1.00 0.00 N ATOM 0 H HIS A 43 21.926 -1.868 17.685 1.00 0.00 H new ATOM 0 HA HIS A 43 24.244 -2.175 19.548 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.606 -3.289 17.363 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.134 -1.817 16.538 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.021 -0.100 16.041 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.090 -1.645 18.548 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.570 0.086 16.714 1.00 0.00 H new ATOM 657 N PRO A 44 23.922 0.255 20.046 1.00 0.00 N ATOM 658 CA PRO A 44 23.617 1.632 20.429 1.00 0.00 C ATOM 659 C PRO A 44 24.425 2.665 19.653 1.00 0.00 C ATOM 660 O PRO A 44 23.935 3.775 19.455 1.00 0.00 O ATOM 661 CB PRO A 44 23.934 1.712 21.926 1.00 0.00 C ATOM 662 CG PRO A 44 25.099 0.736 22.040 1.00 0.00 C ATOM 663 CD PRO A 44 24.621 -0.404 21.137 1.00 0.00 C ATOM 0 HA PRO A 44 22.577 1.865 20.203 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.211 2.720 22.234 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.086 1.413 22.542 1.00 0.00 H new ATOM 0 HG2 PRO A 44 26.036 1.171 21.692 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.262 0.407 23.066 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.459 -0.996 20.770 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.962 -1.085 21.675 1.00 0.00 H new ATOM 671 N THR A 45 25.625 2.323 19.167 1.00 0.00 N ATOM 672 CA THR A 45 26.415 3.277 18.402 1.00 0.00 C ATOM 673 C THR A 45 25.655 3.653 17.128 1.00 0.00 C ATOM 674 O THR A 45 25.691 4.809 16.712 1.00 0.00 O ATOM 675 CB THR A 45 27.816 2.716 18.090 1.00 0.00 C ATOM 676 OG1 THR A 45 28.391 2.216 19.289 1.00 0.00 O ATOM 677 CG2 THR A 45 28.739 3.773 17.461 1.00 0.00 C ATOM 0 H THR A 45 26.058 1.408 19.290 1.00 0.00 H new ATOM 0 HA THR A 45 26.567 4.178 18.996 1.00 0.00 H new ATOM 0 HB THR A 45 27.706 1.914 17.360 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.282 1.855 19.099 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.714 3.330 17.259 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.302 4.129 16.528 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.856 4.610 18.149 1.00 0.00 H new ATOM 685 N ALA A 46 24.903 2.706 16.536 1.00 0.00 N ATOM 686 CA ALA A 46 24.091 3.015 15.367 1.00 0.00 C ATOM 687 C ALA A 46 23.021 4.022 15.761 1.00 0.00 C ATOM 688 O ALA A 46 22.868 5.031 15.090 1.00 0.00 O ATOM 689 CB ALA A 46 23.469 1.745 14.754 1.00 0.00 C ATOM 0 H ALA A 46 24.847 1.737 16.850 1.00 0.00 H new ATOM 0 HA ALA A 46 24.728 3.449 14.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.871 2.016 13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.262 1.062 14.450 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.834 1.257 15.494 1.00 0.00 H new ATOM 695 N ILE A 47 22.341 3.807 16.884 1.00 0.00 N ATOM 696 CA ILE A 47 21.274 4.696 17.331 1.00 0.00 C ATOM 697 C ILE A 47 21.841 6.099 17.526 1.00 0.00 C ATOM 698 O ILE A 47 21.244 7.047 17.029 1.00 0.00 O ATOM 699 CB ILE A 47 20.614 4.157 18.612 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.619 3.012 18.349 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.842 5.241 19.394 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.171 1.690 17.823 1.00 0.00 C ATOM 0 H ILE A 47 22.513 3.017 17.506 1.00 0.00 H new ATOM 0 HA ILE A 47 20.492 4.743 16.573 1.00 0.00 H new ATOM 0 HB ILE A 47 21.459 3.793 19.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.092 2.807 19.281 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.877 3.371 17.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.399 4.800 20.287 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.527 6.037 19.685 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.054 5.653 18.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.353 0.983 17.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.668 1.858 16.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.887 1.284 18.538 1.00 0.00 H new ATOM 714 N ALA A 48 22.990 6.249 18.194 1.00 0.00 N ATOM 715 CA ALA A 48 23.573 7.568 18.406 1.00 0.00 C ATOM 716 C ALA A 48 23.923 8.235 17.075 1.00 0.00 C ATOM 717 O ALA A 48 23.624 9.409 16.872 1.00 0.00 O ATOM 718 CB ALA A 48 24.812 7.485 19.291 1.00 0.00 C ATOM 0 H ALA A 48 23.527 5.478 18.592 1.00 0.00 H new ATOM 0 HA ALA A 48 22.825 8.178 18.913 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.226 8.483 19.432 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.540 7.065 20.259 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.557 6.847 18.815 1.00 0.00 H new ATOM 724 N MET A 49 24.515 7.482 16.149 1.00 0.00 N ATOM 725 CA MET A 49 24.814 7.958 14.806 1.00 0.00 C ATOM 726 C MET A 49 23.560 8.387 14.062 1.00 0.00 C ATOM 727 O MET A 49 23.659 9.213 13.158 1.00 0.00 O ATOM 728 CB MET A 49 25.531 6.871 14.002 1.00 0.00 C ATOM 729 CG MET A 49 26.957 6.649 14.501 1.00 0.00 C ATOM 730 SD MET A 49 28.142 7.836 13.820 1.00 0.00 S ATOM 731 CE MET A 49 28.328 8.928 15.241 1.00 0.00 C ATOM 0 H MET A 49 24.802 6.517 16.315 1.00 0.00 H new ATOM 0 HA MET A 49 25.462 8.828 14.913 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.972 5.938 14.071 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.553 7.152 12.949 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.969 6.716 15.589 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.273 5.639 14.240 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.143 9.628 15.058 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.402 9.482 15.398 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.551 8.336 16.128 1.00 0.00 H new ATOM 741 N MET A 50 22.392 7.854 14.407 1.00 0.00 N ATOM 742 CA MET A 50 21.164 8.168 13.695 1.00 0.00 C ATOM 743 C MET A 50 20.482 9.332 14.411 1.00 0.00 C ATOM 744 O MET A 50 19.871 10.185 13.773 1.00 0.00 O ATOM 745 CB MET A 50 20.290 6.908 13.581 1.00 0.00 C ATOM 746 CG MET A 50 20.975 5.723 12.875 1.00 0.00 C ATOM 747 SD MET A 50 22.593 6.023 12.057 1.00 0.00 S ATOM 748 CE MET A 50 23.254 4.354 11.919 1.00 0.00 C ATOM 0 H MET A 50 22.273 7.199 15.180 1.00 0.00 H new ATOM 0 HA MET A 50 21.361 8.484 12.671 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.991 6.596 14.582 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.378 7.160 13.040 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.115 4.932 13.611 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.286 5.340 12.122 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.149 4.265 12.534 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.507 3.637 12.260 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.507 4.148 10.879 1.00 0.00 H new ATOM 758 N GLU A 51 20.688 9.443 15.721 1.00 0.00 N ATOM 759 CA GLU A 51 20.273 10.561 16.542 1.00 0.00 C ATOM 760 C GLU A 51 20.990 11.842 16.095 1.00 0.00 C ATOM 761 O GLU A 51 20.383 12.915 16.111 1.00 0.00 O ATOM 762 CB GLU A 51 20.526 10.199 18.016 1.00 0.00 C ATOM 763 CG GLU A 51 19.922 11.229 18.975 1.00 0.00 C ATOM 764 CD GLU A 51 20.105 10.790 20.439 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.214 10.978 20.999 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.139 10.267 21.048 1.00 0.00 O ATOM 0 H GLU A 51 21.170 8.721 16.256 1.00 0.00 H new ATOM 0 HA GLU A 51 19.208 10.761 16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.102 9.217 18.225 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.599 10.127 18.192 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.396 12.198 18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.861 11.355 18.759 1.00 0.00 H new ATOM 773 N GLU A 52 22.227 11.728 15.588 1.00 0.00 N ATOM 774 CA GLU A 52 22.953 12.833 14.950 1.00 0.00 C ATOM 775 C GLU A 52 22.176 13.444 13.763 1.00 0.00 C ATOM 776 O GLU A 52 22.446 14.585 13.373 1.00 0.00 O ATOM 777 CB GLU A 52 24.334 12.395 14.425 1.00 0.00 C ATOM 778 CG GLU A 52 25.395 11.989 15.459 1.00 0.00 C ATOM 779 CD GLU A 52 26.810 12.068 14.871 1.00 0.00 C ATOM 780 OE1 GLU A 52 27.011 11.737 13.676 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.744 12.450 15.613 1.00 0.00 O ATOM 0 H GLU A 52 22.756 10.856 15.610 1.00 0.00 H new ATOM 0 HA GLU A 52 23.071 13.580 15.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.184 11.553 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.741 13.212 13.830 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.324 12.641 16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.199 10.974 15.804 1.00 0.00 H new ATOM 788 N VAL A 53 21.223 12.703 13.186 1.00 0.00 N ATOM 789 CA VAL A 53 20.448 13.094 12.003 1.00 0.00 C ATOM 790 C VAL A 53 18.933 12.990 12.297 1.00 0.00 C ATOM 791 O VAL A 53 18.100 13.086 11.395 1.00 0.00 O ATOM 792 CB VAL A 53 21.004 12.331 10.772 1.00 0.00 C ATOM 793 CG1 VAL A 53 20.874 10.803 10.857 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.463 12.820 9.420 1.00 0.00 C ATOM 0 H VAL A 53 20.961 11.784 13.542 1.00 0.00 H new ATOM 0 HA VAL A 53 20.566 14.146 11.744 1.00 0.00 H new ATOM 0 HB VAL A 53 22.065 12.577 10.814 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.288 10.352 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.420 10.439 11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.822 10.532 10.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.905 12.231 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.379 12.706 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.720 13.870 9.284 1.00 0.00 H new ATOM 804 N GLY A 54 18.555 12.868 13.577 1.00 0.00 N ATOM 805 CA GLY A 54 17.162 12.905 14.012 1.00 0.00 C ATOM 806 C GLY A 54 16.377 11.657 13.599 1.00 0.00 C ATOM 807 O GLY A 54 15.182 11.755 13.309 1.00 0.00 O ATOM 0 H GLY A 54 19.217 12.740 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.128 13.008 15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.679 13.788 13.593 1.00 0.00 H new ATOM 811 N ILE A 55 17.035 10.492 13.566 1.00 0.00 N ATOM 812 CA ILE A 55 16.458 9.189 13.263 1.00 0.00 C ATOM 813 C ILE A 55 16.712 8.292 14.484 1.00 0.00 C ATOM 814 O ILE A 55 17.622 8.542 15.277 1.00 0.00 O ATOM 815 CB ILE A 55 16.994 8.636 11.919 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.680 9.671 10.820 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.382 7.253 11.583 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.013 9.171 9.428 1.00 0.00 C ATOM 0 H ILE A 55 18.035 10.436 13.761 1.00 0.00 H new ATOM 0 HA ILE A 55 15.381 9.244 13.103 1.00 0.00 H new ATOM 0 HB ILE A 55 18.071 8.482 11.990 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.622 9.931 10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.241 10.584 11.017 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.783 6.899 10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.634 6.543 12.371 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.298 7.343 11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.771 9.942 8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.076 8.937 9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.432 8.274 9.215 1.00 0.00 H new ATOM 830 N ASP A 56 15.932 7.222 14.631 1.00 0.00 N ATOM 831 CA ASP A 56 16.154 6.182 15.636 1.00 0.00 C ATOM 832 C ASP A 56 15.856 4.842 14.982 1.00 0.00 C ATOM 833 O ASP A 56 14.990 4.762 14.110 1.00 0.00 O ATOM 834 CB ASP A 56 15.258 6.401 16.862 1.00 0.00 C ATOM 835 CG ASP A 56 15.326 5.209 17.833 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.434 4.663 18.044 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.261 4.793 18.346 1.00 0.00 O ATOM 0 H ASP A 56 15.114 7.050 14.046 1.00 0.00 H new ATOM 0 HA ASP A 56 17.185 6.213 15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.564 7.310 17.379 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.228 6.549 16.539 1.00 0.00 H new ATOM 842 N ILE A 57 16.576 3.802 15.391 1.00 0.00 N ATOM 843 CA ILE A 57 16.487 2.445 14.886 1.00 0.00 C ATOM 844 C ILE A 57 16.479 1.426 16.033 1.00 0.00 C ATOM 845 O ILE A 57 16.555 0.224 15.791 1.00 0.00 O ATOM 846 CB ILE A 57 17.540 2.214 13.780 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.990 2.524 14.211 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.185 3.030 12.519 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.025 2.307 13.104 1.00 0.00 C ATOM 0 H ILE A 57 17.277 3.894 16.127 1.00 0.00 H new ATOM 0 HA ILE A 57 15.528 2.287 14.393 1.00 0.00 H new ATOM 0 HB ILE A 57 17.507 1.146 13.564 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.045 3.559 14.549 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.247 1.896 15.064 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.937 2.856 11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.208 2.720 12.148 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.159 4.091 12.768 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.019 2.545 13.483 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.000 1.266 12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.794 2.955 12.258 1.00 0.00 H new ATOM 861 N SER A 58 16.371 1.881 17.281 1.00 0.00 N ATOM 862 CA SER A 58 16.100 1.004 18.402 1.00 0.00 C ATOM 863 C SER A 58 14.645 0.541 18.258 1.00 0.00 C ATOM 864 O SER A 58 13.854 1.131 17.510 1.00 0.00 O ATOM 865 CB SER A 58 16.328 1.742 19.723 1.00 0.00 C ATOM 866 OG SER A 58 16.430 0.815 20.792 1.00 0.00 O ATOM 0 H SER A 58 16.470 2.864 17.535 1.00 0.00 H new ATOM 0 HA SER A 58 16.770 0.144 18.407 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.238 2.339 19.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.505 2.433 19.909 1.00 0.00 H new ATOM 0 HG SER A 58 16.577 1.299 21.631 1.00 0.00 H new ATOM 872 N GLY A 59 14.283 -0.547 18.933 1.00 0.00 N ATOM 873 CA GLY A 59 12.978 -1.182 18.777 1.00 0.00 C ATOM 874 C GLY A 59 12.882 -1.981 17.472 1.00 0.00 C ATOM 875 O GLY A 59 12.103 -2.933 17.410 1.00 0.00 O ATOM 0 H GLY A 59 14.890 -1.015 19.606 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.794 -1.845 19.623 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.199 -0.420 18.794 1.00 0.00 H new ATOM 879 N GLN A 60 13.663 -1.634 16.440 1.00 0.00 N ATOM 880 CA GLN A 60 13.818 -2.457 15.258 1.00 0.00 C ATOM 881 C GLN A 60 14.754 -3.554 15.715 1.00 0.00 C ATOM 882 O GLN A 60 15.753 -3.251 16.370 1.00 0.00 O ATOM 883 CB GLN A 60 14.440 -1.692 14.085 1.00 0.00 C ATOM 884 CG GLN A 60 13.632 -0.439 13.751 1.00 0.00 C ATOM 885 CD GLN A 60 14.234 0.483 12.693 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.010 1.685 12.748 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.017 0.012 11.740 1.00 0.00 N ATOM 0 H GLN A 60 14.202 -0.769 16.413 1.00 0.00 H new ATOM 0 HA GLN A 60 12.857 -2.815 14.889 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.464 -1.412 14.332 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.489 -2.340 13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.642 -0.748 13.415 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.493 0.134 14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.210 -0.988 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.429 0.648 11.058 1.00 0.00 H new ATOM 896 N THR A 61 14.504 -4.801 15.340 1.00 0.00 N ATOM 897 CA THR A 61 15.228 -5.909 15.953 1.00 0.00 C ATOM 898 C THR A 61 15.498 -7.100 15.027 1.00 0.00 C ATOM 899 O THR A 61 14.926 -7.221 13.941 1.00 0.00 O ATOM 900 CB THR A 61 14.504 -6.364 17.252 1.00 0.00 C ATOM 901 OG1 THR A 61 13.086 -6.282 17.147 1.00 0.00 O ATOM 902 CG2 THR A 61 14.933 -5.518 18.456 1.00 0.00 C ATOM 0 H THR A 61 13.822 -5.069 14.631 1.00 0.00 H new ATOM 0 HA THR A 61 16.217 -5.519 16.191 1.00 0.00 H new ATOM 0 HB THR A 61 14.793 -7.405 17.395 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.678 -6.580 17.987 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.409 -5.862 19.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.008 -5.618 18.606 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.688 -4.472 18.272 1.00 0.00 H new ATOM 910 N SER A 62 16.411 -7.962 15.480 1.00 0.00 N ATOM 911 CA SER A 62 16.902 -9.152 14.803 1.00 0.00 C ATOM 912 C SER A 62 15.805 -10.217 14.699 1.00 0.00 C ATOM 913 O SER A 62 15.038 -10.425 15.643 1.00 0.00 O ATOM 914 CB SER A 62 18.111 -9.687 15.593 1.00 0.00 C ATOM 915 OG SER A 62 18.828 -8.591 16.144 1.00 0.00 O ATOM 0 H SER A 62 16.853 -7.834 16.390 1.00 0.00 H new ATOM 0 HA SER A 62 17.202 -8.901 13.785 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.776 -10.354 16.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.759 -10.270 14.939 1.00 0.00 H new ATOM 0 HG SER A 62 19.763 -8.848 16.283 1.00 0.00 H new ATOM 921 N ASP A 63 15.763 -10.913 13.559 1.00 0.00 N ATOM 922 CA ASP A 63 14.861 -12.029 13.258 1.00 0.00 C ATOM 923 C ASP A 63 15.477 -12.711 12.019 1.00 0.00 C ATOM 924 O ASP A 63 15.896 -11.980 11.114 1.00 0.00 O ATOM 925 CB ASP A 63 13.449 -11.463 13.006 1.00 0.00 C ATOM 926 CG ASP A 63 12.342 -12.531 13.012 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.330 -13.399 13.919 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.423 -12.444 12.165 1.00 0.00 O ATOM 0 H ASP A 63 16.389 -10.703 12.782 1.00 0.00 H new ATOM 0 HA ASP A 63 14.756 -12.755 14.064 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.225 -10.717 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.440 -10.949 12.045 1.00 0.00 H new ATOM 933 N PRO A 64 15.646 -14.047 11.956 1.00 0.00 N ATOM 934 CA PRO A 64 16.438 -14.702 10.907 1.00 0.00 C ATOM 935 C PRO A 64 15.738 -14.750 9.544 1.00 0.00 C ATOM 936 O PRO A 64 14.519 -14.913 9.470 1.00 0.00 O ATOM 937 CB PRO A 64 16.730 -16.108 11.449 1.00 0.00 C ATOM 938 CG PRO A 64 15.533 -16.394 12.352 1.00 0.00 C ATOM 939 CD PRO A 64 15.216 -15.025 12.947 1.00 0.00 C ATOM 0 HA PRO A 64 17.348 -14.136 10.706 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.811 -16.840 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.668 -16.138 12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.690 -16.794 11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.776 -17.123 13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.150 -14.927 13.155 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.740 -14.879 13.892 1.00 0.00 H new ATOM 947 N ILE A 65 16.523 -14.683 8.456 1.00 0.00 N ATOM 948 CA ILE A 65 16.041 -14.538 7.072 1.00 0.00 C ATOM 949 C ILE A 65 15.149 -15.709 6.672 1.00 0.00 C ATOM 950 O ILE A 65 14.185 -15.547 5.932 1.00 0.00 O ATOM 951 CB ILE A 65 17.247 -14.369 6.108 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.777 -14.009 4.675 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.183 -15.599 6.110 1.00 0.00 C ATOM 954 CD1 ILE A 65 17.918 -13.787 3.672 1.00 0.00 C ATOM 0 H ILE A 65 17.540 -14.730 8.517 1.00 0.00 H new ATOM 0 HA ILE A 65 15.426 -13.641 7.005 1.00 0.00 H new ATOM 0 HB ILE A 65 17.837 -13.533 6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.134 -14.808 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.169 -13.106 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.009 -15.429 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.576 -15.755 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.625 -16.481 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.501 -13.540 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.550 -12.968 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.514 -14.696 3.592 1.00 0.00 H new ATOM 966 N GLU A 66 15.461 -16.894 7.186 1.00 0.00 N ATOM 967 CA GLU A 66 14.823 -18.131 6.776 1.00 0.00 C ATOM 968 C GLU A 66 13.381 -18.246 7.286 1.00 0.00 C ATOM 969 O GLU A 66 12.626 -19.092 6.801 1.00 0.00 O ATOM 970 CB GLU A 66 15.726 -19.294 7.205 1.00 0.00 C ATOM 971 CG GLU A 66 15.848 -19.455 8.728 1.00 0.00 C ATOM 972 CD GLU A 66 16.715 -20.674 9.095 1.00 0.00 C ATOM 973 OE1 GLU A 66 16.164 -21.793 9.242 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.950 -20.525 9.252 1.00 0.00 O ATOM 0 H GLU A 66 16.172 -17.019 7.906 1.00 0.00 H new ATOM 0 HA GLU A 66 14.716 -18.154 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.336 -20.220 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.720 -19.144 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.285 -18.553 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.856 -19.567 9.164 1.00 0.00 H new ATOM 981 N ASN A 67 12.983 -17.383 8.231 1.00 0.00 N ATOM 982 CA ASN A 67 11.612 -17.254 8.687 1.00 0.00 C ATOM 983 C ASN A 67 10.833 -16.188 7.893 1.00 0.00 C ATOM 984 O ASN A 67 9.610 -16.115 8.035 1.00 0.00 O ATOM 985 CB ASN A 67 11.567 -17.031 10.212 1.00 0.00 C ATOM 986 CG ASN A 67 11.066 -15.651 10.636 1.00 0.00 C ATOM 987 OD1 ASN A 67 9.942 -15.507 11.112 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.885 -14.625 10.513 1.00 0.00 N ATOM 0 H ASN A 67 13.626 -16.747 8.703 1.00 0.00 H new ATOM 0 HA ASN A 67 11.096 -18.193 8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.925 -17.790 10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.567 -17.181 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.589 -13.697 10.815 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.815 -14.760 10.116 1.00 0.00 H new ATOM 995 N PHE A 68 11.505 -15.377 7.061 1.00 0.00 N ATOM 996 CA PHE A 68 10.851 -14.368 6.240 1.00 0.00 C ATOM 997 C PHE A 68 10.320 -14.974 4.938 1.00 0.00 C ATOM 998 O PHE A 68 10.596 -16.128 4.592 1.00 0.00 O ATOM 999 CB PHE A 68 11.775 -13.165 5.978 1.00 0.00 C ATOM 1000 CG PHE A 68 11.835 -12.224 7.157 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.788 -12.429 8.164 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.897 -11.180 7.282 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.813 -11.592 9.288 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.926 -10.339 8.410 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.886 -10.544 9.415 1.00 0.00 C ATOM 0 H PHE A 68 12.518 -15.409 6.945 1.00 0.00 H new ATOM 0 HA PHE A 68 9.993 -13.993 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.779 -13.523 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.423 -12.623 5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.504 -13.233 8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.156 -11.025 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.549 -11.754 10.061 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.210 -9.536 8.503 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.911 -9.899 10.281 1.00 0.00 H new ATOM 1015 N ASN A 69 9.546 -14.159 4.217 1.00 0.00 N ATOM 1016 CA ASN A 69 8.864 -14.507 2.982 1.00 0.00 C ATOM 1017 C ASN A 69 8.804 -13.255 2.120 1.00 0.00 C ATOM 1018 O ASN A 69 7.819 -12.516 2.171 1.00 0.00 O ATOM 1019 CB ASN A 69 7.478 -15.149 3.237 1.00 0.00 C ATOM 1020 CG ASN A 69 6.671 -14.558 4.396 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.376 -15.247 5.369 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.305 -13.288 4.345 1.00 0.00 N ATOM 0 H ASN A 69 9.374 -13.194 4.498 1.00 0.00 H new ATOM 0 HA ASN A 69 9.418 -15.279 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.886 -15.063 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.621 -16.213 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.776 -12.878 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.551 -12.718 3.536 1.00 0.00 H new ATOM 1029 N ALA A 70 9.886 -12.968 1.382 1.00 0.00 N ATOM 1030 CA ALA A 70 9.966 -11.819 0.498 1.00 0.00 C ATOM 1031 C ALA A 70 8.754 -11.695 -0.421 1.00 0.00 C ATOM 1032 O ALA A 70 8.377 -10.581 -0.757 1.00 0.00 O ATOM 1033 CB ALA A 70 11.217 -11.915 -0.359 1.00 0.00 C ATOM 0 H ALA A 70 10.732 -13.538 1.389 1.00 0.00 H new ATOM 0 HA ALA A 70 9.996 -10.935 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.272 -11.050 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.097 -11.937 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.180 -12.826 -0.956 1.00 0.00 H new ATOM 1039 N ASP A 71 8.136 -12.810 -0.806 1.00 0.00 N ATOM 1040 CA ASP A 71 6.938 -12.837 -1.648 1.00 0.00 C ATOM 1041 C ASP A 71 5.831 -11.911 -1.129 1.00 0.00 C ATOM 1042 O ASP A 71 5.076 -11.341 -1.922 1.00 0.00 O ATOM 1043 CB ASP A 71 6.370 -14.258 -1.736 1.00 0.00 C ATOM 1044 CG ASP A 71 5.078 -14.290 -2.567 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.156 -14.161 -3.813 1.00 0.00 O ATOM 1046 OD2 ASP A 71 3.983 -14.491 -1.984 1.00 0.00 O ATOM 0 H ASP A 71 8.459 -13.739 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 71 7.253 -12.487 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.110 -14.921 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.170 -14.635 -0.733 1.00 0.00 H new ATOM 1051 N ASP A 72 5.737 -11.748 0.194 1.00 0.00 N ATOM 1052 CA ASP A 72 4.745 -10.867 0.812 1.00 0.00 C ATOM 1053 C ASP A 72 5.049 -9.376 0.583 1.00 0.00 C ATOM 1054 O ASP A 72 4.139 -8.543 0.600 1.00 0.00 O ATOM 1055 CB ASP A 72 4.674 -11.149 2.314 1.00 0.00 C ATOM 1056 CG ASP A 72 3.602 -10.292 3.003 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.392 -10.507 2.747 1.00 0.00 O ATOM 1058 OD2 ASP A 72 3.972 -9.451 3.855 1.00 0.00 O ATOM 0 H ASP A 72 6.344 -12.221 0.863 1.00 0.00 H new ATOM 0 HA ASP A 72 3.787 -11.078 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.456 -12.205 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.645 -10.951 2.768 1.00 0.00 H new ATOM 1063 N TYR A 73 6.319 -9.037 0.351 1.00 0.00 N ATOM 1064 CA TYR A 73 6.850 -7.705 0.138 1.00 0.00 C ATOM 1065 C TYR A 73 6.912 -7.425 -1.371 1.00 0.00 C ATOM 1066 O TYR A 73 6.592 -8.304 -2.186 1.00 0.00 O ATOM 1067 CB TYR A 73 8.258 -7.571 0.775 1.00 0.00 C ATOM 1068 CG TYR A 73 8.365 -7.935 2.251 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.221 -9.274 2.658 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.610 -6.947 3.224 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.212 -9.622 4.017 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.601 -7.284 4.590 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.378 -8.617 4.996 1.00 0.00 C ATOM 1074 OH TYR A 73 8.324 -8.910 6.327 1.00 0.00 O ATOM 0 H TYR A 73 7.051 -9.746 0.305 1.00 0.00 H new ATOM 0 HA TYR A 73 6.197 -6.975 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.949 -8.202 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.594 -6.542 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.116 -10.047 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.805 -5.929 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.079 -10.652 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.766 -6.517 5.333 1.00 0.00 H new ATOM 0 HH TYR A 73 9.170 -9.318 6.607 1.00 0.00 H new ATOM 1084 N ASP A 74 7.328 -6.212 -1.764 1.00 0.00 N ATOM 1085 CA ASP A 74 7.550 -5.904 -3.178 1.00 0.00 C ATOM 1086 C ASP A 74 9.008 -5.581 -3.485 1.00 0.00 C ATOM 1087 O ASP A 74 9.384 -5.643 -4.653 1.00 0.00 O ATOM 1088 CB ASP A 74 6.671 -4.726 -3.625 1.00 0.00 C ATOM 1089 CG ASP A 74 5.174 -5.051 -3.568 1.00 0.00 C ATOM 1090 OD1 ASP A 74 4.626 -5.582 -4.564 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.544 -4.756 -2.524 1.00 0.00 O ATOM 0 H ASP A 74 7.515 -5.438 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 74 7.278 -6.803 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.876 -3.864 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.939 -4.444 -4.643 1.00 0.00 H new ATOM 1096 N VAL A 75 9.847 -5.222 -2.509 1.00 0.00 N ATOM 1097 CA VAL A 75 11.177 -4.688 -2.770 1.00 0.00 C ATOM 1098 C VAL A 75 12.102 -5.240 -1.679 1.00 0.00 C ATOM 1099 O VAL A 75 11.780 -5.174 -0.492 1.00 0.00 O ATOM 1100 CB VAL A 75 11.015 -3.156 -2.823 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.262 -2.288 -2.612 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.201 -2.694 -4.045 1.00 0.00 C ATOM 0 H VAL A 75 9.619 -5.295 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 75 11.634 -4.983 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 75 10.445 -2.969 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.988 -1.235 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.685 -2.492 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.000 -2.519 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.116 -1.607 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.704 -3.011 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.205 -3.136 -4.007 1.00 0.00 H new ATOM 1112 N VAL A 76 13.270 -5.764 -2.041 1.00 0.00 N ATOM 1113 CA VAL A 76 14.220 -6.269 -1.077 1.00 0.00 C ATOM 1114 C VAL A 76 15.575 -5.719 -1.440 1.00 0.00 C ATOM 1115 O VAL A 76 16.015 -5.779 -2.589 1.00 0.00 O ATOM 1116 CB VAL A 76 14.194 -7.803 -0.996 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.817 -8.312 -0.544 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.605 -8.499 -2.296 1.00 0.00 C ATOM 0 H VAL A 76 13.576 -5.847 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 76 13.956 -5.936 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 76 14.944 -8.064 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.829 -9.401 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.585 -7.908 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.058 -7.989 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.562 -9.580 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.925 -8.207 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.622 -8.207 -2.559 1.00 0.00 H new ATOM 1128 N ILE A 77 16.221 -5.165 -0.436 1.00 0.00 N ATOM 1129 CA ILE A 77 17.550 -4.650 -0.522 1.00 0.00 C ATOM 1130 C ILE A 77 18.308 -5.525 0.439 1.00 0.00 C ATOM 1131 O ILE A 77 18.203 -5.398 1.658 1.00 0.00 O ATOM 1132 CB ILE A 77 17.572 -3.174 -0.132 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.772 -2.284 -1.103 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.019 -2.683 -0.013 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.131 -2.428 -2.592 1.00 0.00 C ATOM 0 H ILE A 77 15.810 -5.062 0.492 1.00 0.00 H new ATOM 0 HA ILE A 77 17.982 -4.676 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 77 17.080 -3.091 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.712 -2.507 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.914 -1.243 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 77 19.024 -1.629 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.538 -3.262 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.525 -2.808 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.508 -1.757 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.180 -2.173 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.959 -3.456 -2.910 1.00 0.00 H new ATOM 1147 N SER A 78 19.002 -6.503 -0.107 1.00 0.00 N ATOM 1148 CA SER A 78 19.935 -7.234 0.697 1.00 0.00 C ATOM 1149 C SER A 78 21.131 -6.302 0.941 1.00 0.00 C ATOM 1150 O SER A 78 21.300 -5.296 0.252 1.00 0.00 O ATOM 1151 CB SER A 78 20.194 -8.568 -0.002 1.00 0.00 C ATOM 1152 OG SER A 78 21.219 -9.303 0.621 1.00 0.00 O ATOM 0 H SER A 78 18.935 -6.798 -1.081 1.00 0.00 H new ATOM 0 HA SER A 78 19.592 -7.517 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.277 -9.158 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.461 -8.385 -1.043 1.00 0.00 H new ATOM 0 HG SER A 78 21.989 -9.366 0.018 1.00 0.00 H new ATOM 1158 N LEU A 79 21.950 -6.584 1.947 1.00 0.00 N ATOM 1159 CA LEU A 79 23.239 -5.921 2.165 1.00 0.00 C ATOM 1160 C LEU A 79 24.218 -7.001 2.616 1.00 0.00 C ATOM 1161 O LEU A 79 25.075 -6.781 3.473 1.00 0.00 O ATOM 1162 CB LEU A 79 23.175 -4.734 3.155 1.00 0.00 C ATOM 1163 CG LEU A 79 22.259 -3.554 2.762 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.815 -3.700 3.267 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.817 -2.234 3.314 1.00 0.00 C ATOM 0 H LEU A 79 21.737 -7.292 2.649 1.00 0.00 H new ATOM 0 HA LEU A 79 23.569 -5.457 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.845 -5.114 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.186 -4.350 3.292 1.00 0.00 H new ATOM 0 HG LEU A 79 22.240 -3.555 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.231 -2.835 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.374 -4.606 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.815 -3.763 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.159 -1.413 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.876 -2.290 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.813 -2.061 2.905 1.00 0.00 H new ATOM 1177 N CYS A 80 24.050 -8.215 2.083 1.00 0.00 N ATOM 1178 CA CYS A 80 24.879 -9.370 2.392 1.00 0.00 C ATOM 1179 C CYS A 80 26.261 -9.266 1.733 1.00 0.00 C ATOM 1180 O CYS A 80 27.107 -10.118 2.001 1.00 0.00 O ATOM 1181 CB CYS A 80 24.142 -10.657 1.978 1.00 0.00 C ATOM 1182 SG CYS A 80 22.635 -10.863 2.973 1.00 0.00 S ATOM 0 H CYS A 80 23.313 -8.420 1.408 1.00 0.00 H new ATOM 0 HA CYS A 80 25.054 -9.400 3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 80 23.885 -10.613 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.796 -11.519 2.112 1.00 0.00 H new ATOM 0 HG CYS A 80 21.630 -10.315 2.357 1.00 0.00 H new ATOM 1188 N GLY A 81 26.504 -8.250 0.894 1.00 0.00 N ATOM 1189 CA GLY A 81 27.731 -8.136 0.112 1.00 0.00 C ATOM 1190 C GLY A 81 27.542 -8.803 -1.247 1.00 0.00 C ATOM 1191 O GLY A 81 28.515 -9.271 -1.843 1.00 0.00 O ATOM 0 H GLY A 81 25.849 -7.483 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.992 -7.086 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.558 -8.605 0.645 1.00 0.00 H new ATOM 1195 N CYS A 82 26.292 -8.845 -1.726 1.00 0.00 N ATOM 1196 CA CYS A 82 25.838 -9.604 -2.878 1.00 0.00 C ATOM 1197 C CYS A 82 26.216 -11.091 -2.746 1.00 0.00 C ATOM 1198 O CYS A 82 26.647 -11.558 -1.687 1.00 0.00 O ATOM 1199 CB CYS A 82 26.351 -8.900 -4.146 1.00 0.00 C ATOM 1200 SG CYS A 82 25.284 -9.231 -5.584 1.00 0.00 S ATOM 0 H CYS A 82 25.536 -8.318 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 82 24.750 -9.622 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.400 -7.825 -3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.366 -9.235 -4.362 1.00 0.00 H new ATOM 0 HG CYS A 82 25.757 -8.614 -6.626 1.00 0.00 H new ATOM 1206 N GLY A 83 25.978 -11.863 -3.805 1.00 0.00 N ATOM 1207 CA GLY A 83 26.380 -13.263 -3.941 1.00 0.00 C ATOM 1208 C GLY A 83 25.526 -14.258 -3.146 1.00 0.00 C ATOM 1209 O GLY A 83 25.309 -15.375 -3.617 1.00 0.00 O ATOM 0 H GLY A 83 25.480 -11.517 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.343 -13.536 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 83 27.418 -13.361 -3.622 1.00 0.00 H new ATOM 1213 N VAL A 84 25.034 -13.874 -1.962 1.00 0.00 N ATOM 1214 CA VAL A 84 24.228 -14.722 -1.093 1.00 0.00 C ATOM 1215 C VAL A 84 22.981 -15.163 -1.859 1.00 0.00 C ATOM 1216 O VAL A 84 22.252 -14.347 -2.430 1.00 0.00 O ATOM 1217 CB VAL A 84 23.947 -14.030 0.255 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.081 -14.884 1.196 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.291 -13.762 0.960 1.00 0.00 C ATOM 0 H VAL A 84 25.192 -12.942 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 84 24.771 -15.627 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 84 23.403 -13.110 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.917 -14.345 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.121 -15.089 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.590 -15.825 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 84 25.109 -13.272 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.808 -14.707 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.908 -13.118 0.334 1.00 0.00 H new ATOM 1229 N ASN A 85 22.777 -16.481 -1.900 1.00 0.00 N ATOM 1230 CA ASN A 85 21.784 -17.135 -2.740 1.00 0.00 C ATOM 1231 C ASN A 85 20.407 -17.081 -2.075 1.00 0.00 C ATOM 1232 O ASN A 85 19.934 -18.066 -1.502 1.00 0.00 O ATOM 1233 CB ASN A 85 22.232 -18.569 -3.074 1.00 0.00 C ATOM 1234 CG ASN A 85 21.418 -19.104 -4.245 1.00 0.00 C ATOM 1235 OD1 ASN A 85 20.517 -19.925 -4.089 1.00 0.00 O ATOM 1236 ND2 ASN A 85 21.723 -18.632 -5.446 1.00 0.00 N ATOM 0 H ASN A 85 23.315 -17.136 -1.333 1.00 0.00 H new ATOM 0 HA ASN A 85 21.697 -16.602 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.293 -18.580 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.101 -19.213 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 85 21.205 -18.950 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.475 -17.951 -5.550 1.00 0.00 H new ATOM 1243 N LEU A 86 19.795 -15.894 -2.074 1.00 0.00 N ATOM 1244 CA LEU A 86 18.452 -15.691 -1.529 1.00 0.00 C ATOM 1245 C LEU A 86 17.462 -16.608 -2.284 1.00 0.00 C ATOM 1246 O LEU A 86 17.626 -16.773 -3.499 1.00 0.00 O ATOM 1247 CB LEU A 86 18.000 -14.221 -1.655 1.00 0.00 C ATOM 1248 CG LEU A 86 19.013 -13.121 -1.278 1.00 0.00 C ATOM 1249 CD1 LEU A 86 18.342 -11.749 -1.386 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.607 -13.263 0.129 1.00 0.00 C ATOM 0 H LEU A 86 20.218 -15.046 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 86 18.469 -15.940 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.692 -14.053 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.115 -14.088 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 86 19.839 -13.226 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.058 -10.972 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.999 -11.591 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.490 -11.706 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.309 -12.449 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.806 -13.224 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.129 -14.217 0.209 1.00 0.00 H new ATOM 1262 N PRO A 87 16.443 -17.191 -1.616 1.00 0.00 N ATOM 1263 CA PRO A 87 15.380 -17.949 -2.278 1.00 0.00 C ATOM 1264 C PRO A 87 14.705 -17.152 -3.404 1.00 0.00 C ATOM 1265 O PRO A 87 14.666 -15.924 -3.338 1.00 0.00 O ATOM 1266 CB PRO A 87 14.371 -18.301 -1.186 1.00 0.00 C ATOM 1267 CG PRO A 87 15.186 -18.257 0.107 1.00 0.00 C ATOM 1268 CD PRO A 87 16.271 -17.218 -0.171 1.00 0.00 C ATOM 0 HA PRO A 87 15.792 -18.838 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.546 -17.589 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.936 -19.287 -1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.568 -17.970 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.617 -19.231 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.978 -16.238 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.203 -17.485 0.328 1.00 0.00 H new ATOM 1276 N PRO A 88 14.074 -17.808 -4.394 1.00 0.00 N ATOM 1277 CA PRO A 88 13.613 -17.123 -5.595 1.00 0.00 C ATOM 1278 C PRO A 88 12.517 -16.075 -5.368 1.00 0.00 C ATOM 1279 O PRO A 88 12.371 -15.165 -6.181 1.00 0.00 O ATOM 1280 CB PRO A 88 13.187 -18.226 -6.572 1.00 0.00 C ATOM 1281 CG PRO A 88 12.899 -19.424 -5.667 1.00 0.00 C ATOM 1282 CD PRO A 88 13.900 -19.246 -4.529 1.00 0.00 C ATOM 0 HA PRO A 88 14.424 -16.516 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.306 -17.935 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.975 -18.449 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.871 -19.418 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.047 -20.369 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 88 13.527 -19.686 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.846 -19.737 -4.757 1.00 0.00 H new ATOM 1290 N GLU A 89 11.774 -16.121 -4.259 1.00 0.00 N ATOM 1291 CA GLU A 89 10.766 -15.117 -3.950 1.00 0.00 C ATOM 1292 C GLU A 89 11.386 -13.747 -3.672 1.00 0.00 C ATOM 1293 O GLU A 89 10.752 -12.709 -3.865 1.00 0.00 O ATOM 1294 CB GLU A 89 9.906 -15.571 -2.771 1.00 0.00 C ATOM 1295 CG GLU A 89 10.670 -15.998 -1.511 1.00 0.00 C ATOM 1296 CD GLU A 89 9.682 -16.388 -0.401 1.00 0.00 C ATOM 1297 OE1 GLU A 89 8.915 -15.502 0.039 1.00 0.00 O ATOM 1298 OE2 GLU A 89 9.686 -17.567 0.035 1.00 0.00 O ATOM 0 H GLU A 89 11.858 -16.855 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 89 10.131 -15.009 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.230 -14.758 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.287 -16.406 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.323 -16.840 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.309 -15.183 -1.170 1.00 0.00 H new ATOM 1305 N TRP A 90 12.649 -13.737 -3.246 1.00 0.00 N ATOM 1306 CA TRP A 90 13.450 -12.537 -3.097 1.00 0.00 C ATOM 1307 C TRP A 90 13.824 -11.927 -4.454 1.00 0.00 C ATOM 1308 O TRP A 90 14.318 -10.808 -4.476 1.00 0.00 O ATOM 1309 CB TRP A 90 14.695 -12.849 -2.254 1.00 0.00 C ATOM 1310 CG TRP A 90 14.445 -13.240 -0.822 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.038 -14.448 -0.369 1.00 0.00 C ATOM 1312 CD2 TRP A 90 14.557 -12.410 0.372 1.00 0.00 C ATOM 1313 NE1 TRP A 90 13.894 -14.414 1.008 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.179 -13.170 1.513 1.00 0.00 C ATOM 1315 CE3 TRP A 90 14.862 -11.057 0.587 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.119 -12.617 2.799 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.796 -10.476 1.865 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.427 -11.257 2.977 1.00 0.00 C ATOM 0 H TRP A 90 13.150 -14.588 -2.990 1.00 0.00 H new ATOM 0 HA TRP A 90 12.854 -11.787 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.244 -13.656 -2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.343 -11.973 -2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.853 -15.312 -0.990 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.612 -15.213 1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.156 -10.445 -0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.839 -13.229 3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.029 -9.429 1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.381 -10.814 3.961 1.00 0.00 H new ATOM 1329 N VAL A 91 13.566 -12.600 -5.579 1.00 0.00 N ATOM 1330 CA VAL A 91 13.970 -12.171 -6.911 1.00 0.00 C ATOM 1331 C VAL A 91 12.761 -11.643 -7.696 1.00 0.00 C ATOM 1332 O VAL A 91 12.907 -10.737 -8.517 1.00 0.00 O ATOM 1333 CB VAL A 91 14.700 -13.320 -7.624 1.00 0.00 C ATOM 1334 CG1 VAL A 91 15.246 -12.925 -9.001 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.852 -13.912 -6.784 1.00 0.00 C ATOM 0 H VAL A 91 13.055 -13.483 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 91 14.672 -11.340 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 91 13.932 -14.081 -7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.750 -13.780 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.423 -12.610 -9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.954 -12.104 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.330 -14.719 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.585 -13.134 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.456 -14.302 -5.846 1.00 0.00 H new ATOM 1345 N THR A 92 11.561 -12.167 -7.430 1.00 0.00 N ATOM 1346 CA THR A 92 10.342 -11.851 -8.179 1.00 0.00 C ATOM 1347 C THR A 92 9.790 -10.448 -7.862 1.00 0.00 C ATOM 1348 O THR A 92 8.944 -9.915 -8.585 1.00 0.00 O ATOM 1349 CB THR A 92 9.320 -12.965 -7.910 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.213 -13.200 -6.515 1.00 0.00 O ATOM 1351 CG2 THR A 92 9.804 -14.257 -8.569 1.00 0.00 C ATOM 0 H THR A 92 11.407 -12.835 -6.674 1.00 0.00 H new ATOM 0 HA THR A 92 10.571 -11.815 -9.244 1.00 0.00 H new ATOM 0 HB THR A 92 8.354 -12.661 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.558 -13.911 -6.352 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.083 -15.053 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.903 -14.102 -9.643 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.771 -14.538 -8.152 1.00 0.00 H new ATOM 1359 N GLN A 93 10.290 -9.862 -6.776 1.00 0.00 N ATOM 1360 CA GLN A 93 10.154 -8.505 -6.315 1.00 0.00 C ATOM 1361 C GLN A 93 10.333 -7.486 -7.455 1.00 0.00 C ATOM 1362 O GLN A 93 11.050 -7.725 -8.431 1.00 0.00 O ATOM 1363 CB GLN A 93 11.281 -8.337 -5.288 1.00 0.00 C ATOM 1364 CG GLN A 93 11.300 -9.338 -4.128 1.00 0.00 C ATOM 1365 CD GLN A 93 10.031 -9.292 -3.300 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.772 -8.335 -2.583 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.235 -10.336 -3.367 1.00 0.00 N ATOM 0 H GLN A 93 10.866 -10.402 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 93 9.161 -8.325 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.234 -8.404 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.216 -7.332 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.436 -10.345 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.156 -9.129 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.474 -11.121 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.379 -10.361 -2.813 1.00 0.00 H new ATOM 1376 N GLU A 94 9.729 -6.310 -7.290 1.00 0.00 N ATOM 1377 CA GLU A 94 9.920 -5.140 -8.116 1.00 0.00 C ATOM 1378 C GLU A 94 11.378 -4.672 -8.010 1.00 0.00 C ATOM 1379 O GLU A 94 11.981 -4.305 -9.020 1.00 0.00 O ATOM 1380 CB GLU A 94 8.897 -4.082 -7.659 1.00 0.00 C ATOM 1381 CG GLU A 94 9.301 -2.628 -7.889 1.00 0.00 C ATOM 1382 CD GLU A 94 9.511 -2.237 -9.368 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.889 -2.849 -10.271 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.272 -1.277 -9.631 1.00 0.00 O ATOM 0 H GLU A 94 9.061 -6.149 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 94 9.747 -5.345 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.956 -4.265 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.707 -4.223 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.534 -1.981 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.223 -2.432 -7.342 1.00 0.00 H new ATOM 1391 N ILE A 95 11.962 -4.746 -6.806 1.00 0.00 N ATOM 1392 CA ILE A 95 13.366 -4.454 -6.564 1.00 0.00 C ATOM 1393 C ILE A 95 13.982 -5.636 -5.839 1.00 0.00 C ATOM 1394 O ILE A 95 13.456 -6.103 -4.832 1.00 0.00 O ATOM 1395 CB ILE A 95 13.516 -3.158 -5.722 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.545 -1.897 -6.613 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.796 -3.127 -4.869 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.841 -0.662 -6.032 1.00 0.00 C ATOM 0 H ILE A 95 11.455 -5.016 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 95 13.880 -4.293 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 95 12.644 -3.160 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.585 -1.640 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.085 -2.139 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.836 -2.194 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 95 14.792 -3.968 -4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.668 -3.197 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.920 0.166 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.790 -0.891 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.313 -0.384 -5.090 1.00 0.00 H new ATOM 1410 N PHE A 96 15.121 -6.078 -6.351 1.00 0.00 N ATOM 1411 CA PHE A 96 16.014 -6.996 -5.686 1.00 0.00 C ATOM 1412 C PHE A 96 17.364 -6.377 -6.008 1.00 0.00 C ATOM 1413 O PHE A 96 17.795 -6.347 -7.164 1.00 0.00 O ATOM 1414 CB PHE A 96 15.953 -8.457 -6.136 1.00 0.00 C ATOM 1415 CG PHE A 96 17.124 -9.289 -5.593 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.777 -8.954 -4.379 1.00 0.00 C ATOM 1417 CD2 PHE A 96 17.649 -10.338 -6.371 1.00 0.00 C ATOM 1418 CE1 PHE A 96 18.969 -9.593 -3.998 1.00 0.00 C ATOM 1419 CE2 PHE A 96 18.812 -11.018 -5.961 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.480 -10.637 -4.784 1.00 0.00 C ATOM 0 H PHE A 96 15.454 -5.794 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 96 15.763 -7.093 -4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.013 -8.897 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 96 15.956 -8.499 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.351 -8.196 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.156 -10.623 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.490 -9.282 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.193 -11.837 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.384 -11.147 -4.486 1.00 0.00 H new ATOM 1430 N GLU A 97 17.986 -5.825 -4.983 1.00 0.00 N ATOM 1431 CA GLU A 97 19.321 -5.278 -5.058 1.00 0.00 C ATOM 1432 C GLU A 97 20.073 -5.797 -3.841 1.00 0.00 C ATOM 1433 O GLU A 97 19.469 -6.307 -2.889 1.00 0.00 O ATOM 1434 CB GLU A 97 19.248 -3.737 -5.081 1.00 0.00 C ATOM 1435 CG GLU A 97 19.892 -3.132 -6.330 1.00 0.00 C ATOM 1436 CD GLU A 97 21.432 -3.203 -6.298 1.00 0.00 C ATOM 1437 OE1 GLU A 97 21.991 -4.325 -6.343 1.00 0.00 O ATOM 1438 OE2 GLU A 97 22.083 -2.132 -6.244 1.00 0.00 O ATOM 0 H GLU A 97 17.565 -5.744 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 97 19.840 -5.581 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.204 -3.426 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.743 -3.341 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.526 -3.656 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.582 -2.091 -6.426 1.00 0.00 H new ATOM 1445 N ASP A 98 21.390 -5.652 -3.864 1.00 0.00 N ATOM 1446 CA ASP A 98 22.219 -5.883 -2.703 1.00 0.00 C ATOM 1447 C ASP A 98 23.117 -4.670 -2.583 1.00 0.00 C ATOM 1448 O ASP A 98 24.042 -4.488 -3.383 1.00 0.00 O ATOM 1449 CB ASP A 98 23.001 -7.192 -2.721 1.00 0.00 C ATOM 1450 CG ASP A 98 23.634 -7.437 -1.341 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.577 -6.730 -0.930 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.257 -8.430 -0.681 1.00 0.00 O ATOM 0 H ASP A 98 21.910 -5.369 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 98 21.584 -6.005 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.339 -8.018 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.777 -7.153 -3.486 1.00 0.00 H new ATOM 1457 N TRP A 99 22.794 -3.794 -1.633 1.00 0.00 N ATOM 1458 CA TRP A 99 23.609 -2.641 -1.301 1.00 0.00 C ATOM 1459 C TRP A 99 24.789 -3.155 -0.489 1.00 0.00 C ATOM 1460 O TRP A 99 24.868 -2.987 0.725 1.00 0.00 O ATOM 1461 CB TRP A 99 22.775 -1.533 -0.643 1.00 0.00 C ATOM 1462 CG TRP A 99 21.714 -0.934 -1.520 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.561 -1.133 -2.851 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.605 -0.070 -1.130 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.412 -0.512 -3.291 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.743 0.093 -2.256 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.207 0.547 0.076 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.509 0.747 -2.170 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.967 1.209 0.170 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.114 1.279 -0.938 1.00 0.00 C ATOM 0 H TRP A 99 21.948 -3.872 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 99 24.007 -2.145 -2.186 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.301 -1.938 0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.446 -0.739 -0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.239 -1.695 -3.475 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.099 -0.503 -4.262 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.860 0.511 0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.874 0.839 -3.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.672 1.666 1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.145 1.747 -0.841 1.00 0.00 H new ATOM 1481 N GLN A 100 25.685 -3.813 -1.219 1.00 0.00 N ATOM 1482 CA GLN A 100 27.023 -4.296 -0.911 1.00 0.00 C ATOM 1483 C GLN A 100 27.965 -3.144 -0.486 1.00 0.00 C ATOM 1484 O GLN A 100 29.082 -3.017 -0.995 1.00 0.00 O ATOM 1485 CB GLN A 100 27.541 -5.019 -2.162 1.00 0.00 C ATOM 1486 CG GLN A 100 27.539 -4.207 -3.477 1.00 0.00 C ATOM 1487 CD GLN A 100 27.377 -5.115 -4.697 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.348 -5.566 -5.301 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.143 -5.408 -5.083 1.00 0.00 N ATOM 0 H GLN A 100 25.450 -4.053 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 100 26.993 -4.979 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.561 -5.350 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 100 26.938 -5.915 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 100 26.729 -3.478 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.470 -3.646 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.345 -5.028 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.991 -6.014 -5.889 1.00 0.00 H new ATOM 1498 N LEU A 101 27.470 -2.230 0.349 1.00 0.00 N ATOM 1499 CA LEU A 101 28.114 -0.972 0.672 1.00 0.00 C ATOM 1500 C LEU A 101 29.326 -1.163 1.591 1.00 0.00 C ATOM 1501 O LEU A 101 29.741 -2.286 1.879 1.00 0.00 O ATOM 1502 CB LEU A 101 27.039 0.002 1.256 1.00 0.00 C ATOM 1503 CG LEU A 101 26.698 1.251 0.411 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.875 2.225 0.310 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.239 0.873 -1.002 1.00 0.00 C ATOM 0 H LEU A 101 26.580 -2.356 0.831 1.00 0.00 H new ATOM 0 HA LEU A 101 28.526 -0.526 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.120 -0.562 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.380 0.337 2.235 1.00 0.00 H new ATOM 0 HG LEU A 101 25.880 1.747 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.585 3.085 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.156 2.560 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.723 1.724 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.009 1.778 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.033 0.324 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.348 0.248 -0.940 1.00 0.00 H new ATOM 1517 N GLU A 102 29.889 -0.047 2.062 1.00 0.00 N ATOM 1518 CA GLU A 102 30.948 0.006 3.064 1.00 0.00 C ATOM 1519 C GLU A 102 30.599 -0.821 4.301 1.00 0.00 C ATOM 1520 O GLU A 102 29.441 -1.126 4.583 1.00 0.00 O ATOM 1521 CB GLU A 102 31.181 1.467 3.478 1.00 0.00 C ATOM 1522 CG GLU A 102 31.910 2.294 2.421 1.00 0.00 C ATOM 1523 CD GLU A 102 31.932 3.782 2.813 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.936 4.492 2.533 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.953 4.243 3.377 1.00 0.00 O ATOM 0 H GLU A 102 29.606 0.879 1.741 1.00 0.00 H new ATOM 0 HA GLU A 102 31.852 -0.415 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.219 1.933 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.757 1.486 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.930 1.928 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.418 2.175 1.456 1.00 0.00 H new ATOM 1532 N ASP A 103 31.624 -1.139 5.075 1.00 0.00 N ATOM 1533 CA ASP A 103 31.579 -1.980 6.265 1.00 0.00 C ATOM 1534 C ASP A 103 31.996 -1.140 7.479 1.00 0.00 C ATOM 1535 O ASP A 103 33.185 -0.864 7.667 1.00 0.00 O ATOM 1536 CB ASP A 103 32.482 -3.206 6.103 1.00 0.00 C ATOM 1537 CG ASP A 103 32.451 -4.068 7.374 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.537 -3.869 8.211 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.315 -4.966 7.510 1.00 0.00 O ATOM 0 H ASP A 103 32.565 -0.798 4.880 1.00 0.00 H new ATOM 0 HA ASP A 103 30.564 -2.348 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.154 -3.797 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.504 -2.888 5.897 1.00 0.00 H new ATOM 1544 N PRO A 104 31.029 -0.674 8.289 1.00 0.00 N ATOM 1545 CA PRO A 104 31.305 0.057 9.515 1.00 0.00 C ATOM 1546 C PRO A 104 31.700 -0.858 10.686 1.00 0.00 C ATOM 1547 O PRO A 104 32.060 -0.312 11.720 1.00 0.00 O ATOM 1548 CB PRO A 104 30.016 0.828 9.811 1.00 0.00 C ATOM 1549 CG PRO A 104 28.939 -0.114 9.276 1.00 0.00 C ATOM 1550 CD PRO A 104 29.593 -0.769 8.068 1.00 0.00 C ATOM 0 HA PRO A 104 32.164 0.716 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.894 1.021 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.996 1.795 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.648 -0.853 10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.036 0.429 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.281 -1.809 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.306 -0.263 7.146 1.00 0.00 H new ATOM 1558 N ASP A 105 31.673 -2.192 10.537 1.00 0.00 N ATOM 1559 CA ASP A 105 32.061 -3.231 11.505 1.00 0.00 C ATOM 1560 C ASP A 105 32.013 -2.776 12.972 1.00 0.00 C ATOM 1561 O ASP A 105 30.941 -2.742 13.581 1.00 0.00 O ATOM 1562 CB ASP A 105 33.442 -3.796 11.121 1.00 0.00 C ATOM 1563 CG ASP A 105 33.901 -4.899 12.093 1.00 0.00 C ATOM 1564 OD1 ASP A 105 33.098 -5.797 12.439 1.00 0.00 O ATOM 1565 OD2 ASP A 105 35.077 -4.854 12.525 1.00 0.00 O ATOM 0 H ASP A 105 31.352 -2.607 9.662 1.00 0.00 H new ATOM 0 HA ASP A 105 31.313 -4.021 11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.401 -4.198 10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.175 -2.990 11.114 1.00 0.00 H new ATOM 1570 N GLY A 106 33.163 -2.371 13.507 1.00 0.00 N ATOM 1571 CA GLY A 106 33.350 -1.706 14.792 1.00 0.00 C ATOM 1572 C GLY A 106 34.310 -0.526 14.622 1.00 0.00 C ATOM 1573 O GLY A 106 35.205 -0.318 15.444 1.00 0.00 O ATOM 0 H GLY A 106 34.048 -2.509 13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.391 -1.356 15.175 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.748 -2.410 15.523 1.00 0.00 H new ATOM 1577 N GLN A 107 34.183 0.176 13.491 1.00 0.00 N ATOM 1578 CA GLN A 107 35.045 1.264 13.052 1.00 0.00 C ATOM 1579 C GLN A 107 34.854 2.539 13.874 1.00 0.00 C ATOM 1580 O GLN A 107 34.064 2.613 14.822 1.00 0.00 O ATOM 1581 CB GLN A 107 34.809 1.539 11.551 1.00 0.00 C ATOM 1582 CG GLN A 107 35.359 0.385 10.702 1.00 0.00 C ATOM 1583 CD GLN A 107 36.107 0.885 9.469 1.00 0.00 C ATOM 1584 OE1 GLN A 107 37.185 1.466 9.573 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.563 0.700 8.279 1.00 0.00 N ATOM 0 H GLN A 107 33.434 -0.015 12.826 1.00 0.00 H new ATOM 0 HA GLN A 107 36.077 0.950 13.210 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.743 1.663 11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 107 35.294 2.472 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 107 36.028 -0.224 11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.537 -0.259 10.390 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.668 0.217 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.038 1.040 7.443 1.00 0.00 H new ATOM 1594 N SER A 108 35.605 3.557 13.458 1.00 0.00 N ATOM 1595 CA SER A 108 35.501 4.915 13.953 1.00 0.00 C ATOM 1596 C SER A 108 34.111 5.461 13.624 1.00 0.00 C ATOM 1597 O SER A 108 33.500 5.057 12.628 1.00 0.00 O ATOM 1598 CB SER A 108 36.605 5.774 13.309 1.00 0.00 C ATOM 1599 OG SER A 108 37.873 5.130 13.389 1.00 0.00 O ATOM 0 H SER A 108 36.324 3.448 12.743 1.00 0.00 H new ATOM 0 HA SER A 108 35.634 4.940 15.035 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.357 5.966 12.265 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.654 6.742 13.808 1.00 0.00 H new ATOM 0 HG SER A 108 38.555 5.697 12.971 1.00 0.00 H new ATOM 1605 N LEU A 109 33.647 6.445 14.403 1.00 0.00 N ATOM 1606 CA LEU A 109 32.360 7.106 14.175 1.00 0.00 C ATOM 1607 C LEU A 109 32.294 7.690 12.774 1.00 0.00 C ATOM 1608 O LEU A 109 31.226 7.724 12.187 1.00 0.00 O ATOM 1609 CB LEU A 109 32.093 8.215 15.209 1.00 0.00 C ATOM 1610 CG LEU A 109 31.907 7.762 16.673 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.386 8.942 17.505 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.967 6.559 16.835 1.00 0.00 C ATOM 0 H LEU A 109 34.156 6.805 15.211 1.00 0.00 H new ATOM 0 HA LEU A 109 31.588 6.344 14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.922 8.921 15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.198 8.758 14.904 1.00 0.00 H new ATOM 0 HG LEU A 109 32.885 7.434 17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.253 8.627 18.540 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.104 9.761 17.464 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.430 9.277 17.102 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.887 6.300 17.891 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.980 6.813 16.448 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.366 5.709 16.282 1.00 0.00 H new ATOM 1624 N GLU A 110 33.421 8.112 12.205 1.00 0.00 N ATOM 1625 CA GLU A 110 33.452 8.690 10.867 1.00 0.00 C ATOM 1626 C GLU A 110 32.970 7.688 9.836 1.00 0.00 C ATOM 1627 O GLU A 110 32.228 8.069 8.933 1.00 0.00 O ATOM 1628 CB GLU A 110 34.864 9.143 10.499 1.00 0.00 C ATOM 1629 CG GLU A 110 35.253 10.362 11.328 1.00 0.00 C ATOM 1630 CD GLU A 110 36.632 10.914 10.928 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.660 10.449 11.482 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.702 11.827 10.068 1.00 0.00 O ATOM 0 H GLU A 110 34.334 8.063 12.658 1.00 0.00 H new ATOM 0 HA GLU A 110 32.788 9.554 10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.572 8.333 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.912 9.385 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.501 11.141 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.262 10.094 12.385 1.00 0.00 H new ATOM 1639 N VAL A 111 33.342 6.409 9.955 1.00 0.00 N ATOM 1640 CA VAL A 111 32.857 5.444 8.995 1.00 0.00 C ATOM 1641 C VAL A 111 31.382 5.190 9.259 1.00 0.00 C ATOM 1642 O VAL A 111 30.618 5.270 8.306 1.00 0.00 O ATOM 1643 CB VAL A 111 33.742 4.185 8.948 1.00 0.00 C ATOM 1644 CG1 VAL A 111 33.198 3.241 7.865 1.00 0.00 C ATOM 1645 CG2 VAL A 111 35.193 4.559 8.605 1.00 0.00 C ATOM 0 H VAL A 111 33.955 6.039 10.682 1.00 0.00 H new ATOM 0 HA VAL A 111 32.932 5.841 7.983 1.00 0.00 H new ATOM 0 HB VAL A 111 33.726 3.700 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.816 2.344 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 111 32.172 2.963 8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.220 3.745 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.804 3.657 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 111 35.222 5.048 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.583 5.237 9.364 1.00 0.00 H new ATOM 1655 N PHE A 112 30.942 5.020 10.512 1.00 0.00 N ATOM 1656 CA PHE A 112 29.505 4.974 10.814 1.00 0.00 C ATOM 1657 C PHE A 112 28.751 6.139 10.140 1.00 0.00 C ATOM 1658 O PHE A 112 27.774 5.892 9.432 1.00 0.00 O ATOM 1659 CB PHE A 112 29.241 4.963 12.322 1.00 0.00 C ATOM 1660 CG PHE A 112 29.390 3.634 13.046 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.651 3.018 13.175 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.267 3.039 13.655 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.780 1.821 13.900 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.404 1.850 14.396 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.661 1.238 14.513 1.00 0.00 C ATOM 0 H PHE A 112 31.551 4.913 11.324 1.00 0.00 H new ATOM 0 HA PHE A 112 29.125 4.039 10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.918 5.679 12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 112 28.227 5.327 12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.520 3.467 12.716 1.00 0.00 H new ATOM 0 HD2 PHE A 112 27.295 3.498 13.553 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.747 1.347 13.986 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.542 1.409 14.874 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.767 0.321 15.073 1.00 0.00 H new ATOM 1675 N ARG A 113 29.233 7.384 10.267 1.00 0.00 N ATOM 1676 CA ARG A 113 28.625 8.558 9.618 1.00 0.00 C ATOM 1677 C ARG A 113 28.625 8.416 8.104 1.00 0.00 C ATOM 1678 O ARG A 113 27.628 8.725 7.453 1.00 0.00 O ATOM 1679 CB ARG A 113 29.389 9.853 9.956 1.00 0.00 C ATOM 1680 CG ARG A 113 29.269 10.326 11.411 1.00 0.00 C ATOM 1681 CD ARG A 113 29.978 11.671 11.605 1.00 0.00 C ATOM 1682 NE ARG A 113 29.752 12.192 12.965 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.593 12.944 13.689 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.767 13.342 13.199 1.00 0.00 N ATOM 1685 NH2 ARG A 113 30.245 13.296 14.918 1.00 0.00 N ATOM 0 H ARG A 113 30.058 7.607 10.824 1.00 0.00 H new ATOM 0 HA ARG A 113 27.604 8.614 9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.444 9.703 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 113 29.030 10.648 9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 113 28.217 10.421 11.682 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.703 9.581 12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.047 11.552 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.613 12.389 10.871 1.00 0.00 H new ATOM 0 HE ARG A 113 28.861 11.955 13.402 1.00 0.00 H new ATOM 0 HH11 ARG A 113 32.042 13.075 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 113 32.390 13.914 13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 113 29.348 12.995 15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.874 13.868 15.482 1.00 0.00 H new ATOM 1699 N THR A 114 29.742 7.986 7.534 1.00 0.00 N ATOM 1700 CA THR A 114 29.903 7.943 6.096 1.00 0.00 C ATOM 1701 C THR A 114 28.986 6.873 5.510 1.00 0.00 C ATOM 1702 O THR A 114 28.303 7.147 4.519 1.00 0.00 O ATOM 1703 CB THR A 114 31.377 7.684 5.746 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.199 8.699 6.303 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.608 7.669 4.232 1.00 0.00 C ATOM 0 H THR A 114 30.555 7.660 8.056 1.00 0.00 H new ATOM 0 HA THR A 114 29.621 8.902 5.660 1.00 0.00 H new ATOM 0 HB THR A 114 31.633 6.708 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.381 8.493 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.662 7.483 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.006 6.881 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.321 8.632 3.811 1.00 0.00 H new ATOM 1713 N VAL A 115 28.921 5.683 6.122 1.00 0.00 N ATOM 1714 CA VAL A 115 28.147 4.595 5.532 1.00 0.00 C ATOM 1715 C VAL A 115 26.677 4.981 5.598 1.00 0.00 C ATOM 1716 O VAL A 115 25.969 4.876 4.606 1.00 0.00 O ATOM 1717 CB VAL A 115 28.418 3.216 6.175 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.728 2.124 5.338 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.916 2.893 6.264 1.00 0.00 C ATOM 0 H VAL A 115 29.384 5.457 7.002 1.00 0.00 H new ATOM 0 HA VAL A 115 28.460 4.467 4.496 1.00 0.00 H new ATOM 0 HB VAL A 115 28.022 3.247 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.916 1.149 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.654 2.310 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 115 28.125 2.139 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 115 30.050 1.914 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.347 2.887 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.416 3.649 6.869 1.00 0.00 H new ATOM 1729 N ARG A 116 26.243 5.525 6.736 1.00 0.00 N ATOM 1730 CA ARG A 116 24.927 6.123 6.919 1.00 0.00 C ATOM 1731 C ARG A 116 24.597 7.073 5.768 1.00 0.00 C ATOM 1732 O ARG A 116 23.592 6.864 5.099 1.00 0.00 O ATOM 1733 CB ARG A 116 24.976 6.785 8.304 1.00 0.00 C ATOM 1734 CG ARG A 116 23.870 7.774 8.669 1.00 0.00 C ATOM 1735 CD ARG A 116 24.339 8.569 9.887 1.00 0.00 C ATOM 1736 NE ARG A 116 25.002 9.838 9.504 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.585 10.713 10.340 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.551 10.522 11.649 1.00 0.00 N ATOM 1739 NH2 ARG A 116 26.233 11.768 9.862 1.00 0.00 N ATOM 0 H ARG A 116 26.817 5.561 7.578 1.00 0.00 H new ATOM 0 HA ARG A 116 24.114 5.397 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.975 5.993 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.930 7.305 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.664 8.442 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.943 7.246 8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.485 8.786 10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.030 7.962 10.471 1.00 0.00 H new ATOM 0 HE ARG A 116 25.017 10.069 8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.079 9.704 12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.997 11.193 12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.290 11.918 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.674 12.429 10.502 1.00 0.00 H new ATOM 1753 N GLY A 117 25.424 8.084 5.491 1.00 0.00 N ATOM 1754 CA GLY A 117 25.101 9.058 4.449 1.00 0.00 C ATOM 1755 C GLY A 117 25.008 8.406 3.069 1.00 0.00 C ATOM 1756 O GLY A 117 24.069 8.657 2.316 1.00 0.00 O ATOM 0 H GLY A 117 26.311 8.248 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.154 9.543 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.863 9.837 4.432 1.00 0.00 H new ATOM 1760 N GLN A 118 25.932 7.503 2.746 1.00 0.00 N ATOM 1761 CA GLN A 118 25.897 6.802 1.472 1.00 0.00 C ATOM 1762 C GLN A 118 24.656 5.931 1.340 1.00 0.00 C ATOM 1763 O GLN A 118 24.039 5.903 0.275 1.00 0.00 O ATOM 1764 CB GLN A 118 27.190 5.999 1.300 1.00 0.00 C ATOM 1765 CG GLN A 118 28.365 6.964 1.071 1.00 0.00 C ATOM 1766 CD GLN A 118 29.229 6.498 -0.100 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.875 6.710 -1.263 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.332 5.818 0.161 1.00 0.00 N ATOM 0 H GLN A 118 26.711 7.243 3.350 1.00 0.00 H new ATOM 0 HA GLN A 118 25.834 7.534 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.373 5.390 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.097 5.315 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.985 7.966 0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.972 7.026 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.611 5.651 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.904 5.460 -0.604 1.00 0.00 H new ATOM 1777 N VAL A 119 24.247 5.282 2.425 1.00 0.00 N ATOM 1778 CA VAL A 119 23.015 4.514 2.480 1.00 0.00 C ATOM 1779 C VAL A 119 21.845 5.461 2.249 1.00 0.00 C ATOM 1780 O VAL A 119 20.943 5.101 1.504 1.00 0.00 O ATOM 1781 CB VAL A 119 22.914 3.771 3.831 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.514 3.215 4.109 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.895 2.586 3.854 1.00 0.00 C ATOM 0 H VAL A 119 24.771 5.276 3.300 1.00 0.00 H new ATOM 0 HA VAL A 119 22.999 3.752 1.701 1.00 0.00 H new ATOM 0 HB VAL A 119 23.153 4.508 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.510 2.705 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.795 4.034 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.240 2.510 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.817 2.068 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.651 1.896 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.913 2.954 3.722 1.00 0.00 H new ATOM 1793 N LYS A 120 21.843 6.668 2.825 1.00 0.00 N ATOM 1794 CA LYS A 120 20.701 7.573 2.707 1.00 0.00 C ATOM 1795 C LYS A 120 20.407 7.900 1.251 1.00 0.00 C ATOM 1796 O LYS A 120 19.240 7.965 0.875 1.00 0.00 O ATOM 1797 CB LYS A 120 20.865 8.811 3.609 1.00 0.00 C ATOM 1798 CG LYS A 120 21.499 10.109 3.051 1.00 0.00 C ATOM 1799 CD LYS A 120 20.670 11.346 3.443 1.00 0.00 C ATOM 1800 CE LYS A 120 19.333 11.431 2.676 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.441 12.205 1.411 1.00 0.00 N ATOM 0 H LYS A 120 22.618 7.037 3.375 1.00 0.00 H new ATOM 0 HA LYS A 120 19.813 7.062 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.875 9.071 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.460 8.506 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.515 10.213 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.570 10.045 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.469 11.320 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.254 12.246 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.984 10.423 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.581 11.893 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.549 12.130 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.631 13.204 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.219 11.823 0.836 1.00 0.00 H new ATOM 1815 N GLU A 121 21.441 8.050 0.426 1.00 0.00 N ATOM 1816 CA GLU A 121 21.252 8.290 -0.995 1.00 0.00 C ATOM 1817 C GLU A 121 20.713 7.042 -1.686 1.00 0.00 C ATOM 1818 O GLU A 121 19.822 7.169 -2.522 1.00 0.00 O ATOM 1819 CB GLU A 121 22.564 8.727 -1.667 1.00 0.00 C ATOM 1820 CG GLU A 121 23.104 10.073 -1.173 1.00 0.00 C ATOM 1821 CD GLU A 121 22.109 11.228 -1.389 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.085 11.813 -2.498 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.341 11.548 -0.451 1.00 0.00 O ATOM 0 H GLU A 121 22.417 8.009 0.721 1.00 0.00 H new ATOM 0 HA GLU A 121 20.526 9.096 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.320 7.960 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.406 8.785 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.341 9.997 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.035 10.299 -1.693 1.00 0.00 H new ATOM 1830 N ARG A 122 21.195 5.834 -1.358 1.00 0.00 N ATOM 1831 CA ARG A 122 20.652 4.613 -1.965 1.00 0.00 C ATOM 1832 C ARG A 122 19.196 4.428 -1.562 1.00 0.00 C ATOM 1833 O ARG A 122 18.361 4.179 -2.428 1.00 0.00 O ATOM 1834 CB ARG A 122 21.485 3.373 -1.595 1.00 0.00 C ATOM 1835 CG ARG A 122 22.726 3.177 -2.479 1.00 0.00 C ATOM 1836 CD ARG A 122 23.869 4.153 -2.187 1.00 0.00 C ATOM 1837 NE ARG A 122 25.033 3.943 -3.072 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.178 4.643 -3.033 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.312 5.669 -2.192 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.190 4.301 -3.822 1.00 0.00 N ATOM 0 H ARG A 122 21.947 5.678 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 122 20.705 4.725 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.800 3.455 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.854 2.487 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.092 2.158 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.433 3.281 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.508 5.175 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.181 4.041 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 122 24.961 3.204 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.542 5.926 -1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 122 27.184 6.197 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.097 3.508 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 122 28.061 4.832 -3.794 1.00 0.00 H new ATOM 1854 N VAL A 123 18.866 4.639 -0.289 1.00 0.00 N ATOM 1855 CA VAL A 123 17.501 4.624 0.204 1.00 0.00 C ATOM 1856 C VAL A 123 16.657 5.596 -0.606 1.00 0.00 C ATOM 1857 O VAL A 123 15.630 5.202 -1.152 1.00 0.00 O ATOM 1858 CB VAL A 123 17.520 4.957 1.712 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.117 5.165 2.259 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.160 3.837 2.546 1.00 0.00 C ATOM 0 H VAL A 123 19.557 4.828 0.437 1.00 0.00 H new ATOM 0 HA VAL A 123 17.048 3.640 0.085 1.00 0.00 H new ATOM 0 HB VAL A 123 18.107 5.872 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.172 5.397 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.639 5.991 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.532 4.256 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.150 4.117 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.595 2.915 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.189 3.684 2.221 1.00 0.00 H new ATOM 1870 N GLU A 124 17.095 6.841 -0.740 1.00 0.00 N ATOM 1871 CA GLU A 124 16.316 7.860 -1.404 1.00 0.00 C ATOM 1872 C GLU A 124 16.149 7.560 -2.897 1.00 0.00 C ATOM 1873 O GLU A 124 15.078 7.799 -3.454 1.00 0.00 O ATOM 1874 CB GLU A 124 16.968 9.196 -1.092 1.00 0.00 C ATOM 1875 CG GLU A 124 16.119 10.357 -1.588 1.00 0.00 C ATOM 1876 CD GLU A 124 16.740 11.725 -1.256 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.134 11.955 -0.085 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.834 12.585 -2.163 1.00 0.00 O ATOM 0 H GLU A 124 17.997 7.165 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 124 15.291 7.886 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.118 9.287 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.953 9.239 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.989 10.273 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.127 10.294 -1.141 1.00 0.00 H new ATOM 1885 N ASN A 125 17.158 6.965 -3.539 1.00 0.00 N ATOM 1886 CA ASN A 125 17.065 6.496 -4.914 1.00 0.00 C ATOM 1887 C ASN A 125 15.996 5.423 -5.050 1.00 0.00 C ATOM 1888 O ASN A 125 15.141 5.517 -5.924 1.00 0.00 O ATOM 1889 CB ASN A 125 18.409 5.947 -5.412 1.00 0.00 C ATOM 1890 CG ASN A 125 19.270 7.030 -6.054 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.242 7.213 -7.268 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.031 7.775 -5.269 1.00 0.00 N ATOM 0 H ASN A 125 18.068 6.796 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 125 16.791 7.354 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.950 5.502 -4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.229 5.151 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.607 8.515 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.042 7.609 -4.263 1.00 0.00 H new ATOM 1899 N LEU A 126 16.014 4.416 -4.172 1.00 0.00 N ATOM 1900 CA LEU A 126 15.002 3.358 -4.155 1.00 0.00 C ATOM 1901 C LEU A 126 13.624 3.963 -3.958 1.00 0.00 C ATOM 1902 O LEU A 126 12.702 3.637 -4.693 1.00 0.00 O ATOM 1903 CB LEU A 126 15.382 2.300 -3.105 1.00 0.00 C ATOM 1904 CG LEU A 126 14.265 1.606 -2.298 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.568 0.119 -2.176 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.150 2.113 -0.857 1.00 0.00 C ATOM 0 H LEU A 126 16.731 4.312 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 126 14.966 2.839 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.951 1.522 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.057 2.773 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 126 13.343 1.819 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.777 -0.368 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.623 -0.324 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.521 -0.017 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.345 1.582 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.089 1.937 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.933 3.181 -0.863 1.00 0.00 H new ATOM 1918 N ILE A 127 13.504 4.892 -3.025 1.00 0.00 N ATOM 1919 CA ILE A 127 12.260 5.583 -2.738 1.00 0.00 C ATOM 1920 C ILE A 127 11.768 6.287 -3.991 1.00 0.00 C ATOM 1921 O ILE A 127 10.583 6.188 -4.296 1.00 0.00 O ATOM 1922 CB ILE A 127 12.517 6.507 -1.542 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.370 5.592 -0.318 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.607 7.724 -1.390 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.211 6.108 0.830 1.00 0.00 C ATOM 0 H ILE A 127 14.281 5.192 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 127 11.454 4.904 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 127 13.497 6.965 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.324 5.542 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.677 4.578 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.899 8.289 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.698 8.359 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.573 7.395 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.096 5.449 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.259 6.134 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.885 7.113 1.097 1.00 0.00 H new ATOM 1937 N ALA A 128 12.653 6.938 -4.743 1.00 0.00 N ATOM 1938 CA ALA A 128 12.274 7.618 -5.959 1.00 0.00 C ATOM 1939 C ALA A 128 11.797 6.655 -7.048 1.00 0.00 C ATOM 1940 O ALA A 128 10.964 7.050 -7.870 1.00 0.00 O ATOM 1941 CB ALA A 128 13.435 8.501 -6.435 1.00 0.00 C ATOM 0 H ALA A 128 13.646 7.003 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 128 11.416 8.254 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.149 9.014 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.671 9.237 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.311 7.880 -6.624 1.00 0.00 H new ATOM 1947 N LYS A 129 12.271 5.403 -7.061 1.00 0.00 N ATOM 1948 CA LYS A 129 11.742 4.393 -7.963 1.00 0.00 C ATOM 1949 C LYS A 129 10.311 4.030 -7.576 1.00 0.00 C ATOM 1950 O LYS A 129 9.423 4.082 -8.428 1.00 0.00 O ATOM 1951 CB LYS A 129 12.628 3.137 -7.987 1.00 0.00 C ATOM 1952 CG LYS A 129 14.042 3.441 -8.506 1.00 0.00 C ATOM 1953 CD LYS A 129 15.001 2.256 -8.327 1.00 0.00 C ATOM 1954 CE LYS A 129 14.688 1.017 -9.192 1.00 0.00 C ATOM 1955 NZ LYS A 129 14.906 1.251 -10.649 1.00 0.00 N ATOM 0 H LYS A 129 13.021 5.073 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 129 11.739 4.815 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.692 2.719 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.165 2.379 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.989 3.705 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.440 4.309 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.013 2.591 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.992 1.958 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.314 0.186 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.652 0.719 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.680 0.384 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.291 2.024 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.900 1.508 -10.814 1.00 0.00 H new ATOM 1969 N ILE A 130 10.091 3.657 -6.309 1.00 0.00 N ATOM 1970 CA ILE A 130 8.817 3.076 -5.902 1.00 0.00 C ATOM 1971 C ILE A 130 7.699 4.050 -5.555 1.00 0.00 C ATOM 1972 O ILE A 130 6.558 3.721 -5.876 1.00 0.00 O ATOM 1973 CB ILE A 130 8.959 2.019 -4.776 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.236 2.077 -3.923 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.831 0.645 -5.442 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.273 1.048 -2.785 1.00 0.00 C ATOM 0 H ILE A 130 10.775 3.748 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 130 8.501 2.589 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 130 8.174 2.231 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.100 1.920 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.332 3.076 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.925 -0.135 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.858 0.565 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.619 0.526 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.205 1.153 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.430 1.217 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.210 0.043 -3.201 1.00 0.00 H new ATOM 1988 N SER A 131 7.980 5.154 -4.861 1.00 0.00 N ATOM 1989 CA SER A 131 6.952 6.035 -4.292 1.00 0.00 C ATOM 1990 C SER A 131 5.834 6.354 -5.292 1.00 0.00 C ATOM 1991 O SER A 131 6.122 6.918 -6.375 1.00 0.00 O ATOM 1992 CB SER A 131 7.565 7.325 -3.756 1.00 0.00 C ATOM 1993 OG SER A 131 8.522 7.016 -2.763 1.00 0.00 O ATOM 1994 OXT SER A 131 4.664 6.033 -4.973 1.00 0.00 O ATOM 0 H SER A 131 8.933 5.466 -4.675 1.00 0.00 H new ATOM 0 HA SER A 131 6.503 5.488 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.034 7.882 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.787 7.964 -3.339 1.00 0.00 H new ATOM 0 HG SER A 131 9.405 6.925 -3.177 1.00 0.00 H new TER 2000 SER A 131