USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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 -103:sc= 1.37 USER MOD Set 1.2: A 80 CYS SG : rot 94:sc= 0.0263 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.263 K(o=1.6,f=-4.5!) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0.702 USER MOD Set 2.3: A 43 HIS : no HD1:sc= 0.618 K(o=1.6,f=-4.9) USER MOD Set 3.1: A 34 SER OG : rot -110:sc= 2.27 USER MOD Set 3.2: A 62 SER OG : rot -122:sc= 1.16 USER MOD Set 4.1: A 8 CYS SG : rot 74:sc= -0.627 USER MOD Set 4.2: A 15 SER OG : rot -150:sc= 0.0847 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.0697) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0792 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= 2.44 (180deg=1.65) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.07 (180deg=1.06) USER MOD Single : A 5 MET CE :methyl -159:sc= 0 (180deg=-0.329) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.542) USER MOD Single : A 12 SER OG : rot 9:sc= 0.434 USER MOD Single : A 13 CYS SG : rot 176:sc= 0.123 USER MOD Single : A 16 GLN : amide:sc= -0.731 K(o=-0.73,f=-6.7!) USER MOD Single : A 17 MET CE :methyl -171:sc= -0.534 (180deg=-0.892) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.306 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 64:sc= 0.663 USER MOD Single : A 35 CYS SG : rot -91:sc= -0.39 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 49 MET CE :methyl 168:sc= -0.27 (180deg=-0.574) USER MOD Single : A 50 MET CE :methyl 152:sc= -1.16 (180deg=-2.72) USER MOD Single : A 58 SER OG : rot -85:sc= 1.25 USER MOD Single : A 60 GLN : amide:sc= -0.903 K(o=-0.9,f=-2.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.53 K(o=1.5,f=-0.54) USER MOD Single : A 69 ASN : amide:sc= 0.928 K(o=0.93,f=-0.02) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc=-0.000865 USER MOD Single : A 85 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 93 GLN : amide:sc= 0.382 K(o=0.38,f=-3.4!) USER MOD Single : A 100 GLN : amide:sc= 0.622 K(o=0.62,f=-0.23) USER MOD Single : A 107 GLN : amide:sc= -0.0645 K(o=-0.064,f=-4.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00774 USER MOD Single : A 114 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= 2.48 (180deg=2.4) USER MOD Single : A 125 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 85:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.940 -2.602 1.069 1.00 0.00 N ATOM 2 CA MET A 1 1.860 -1.912 0.104 1.00 0.00 C ATOM 3 C MET A 1 2.995 -2.856 -0.354 1.00 0.00 C ATOM 4 O MET A 1 3.115 -3.967 0.161 1.00 0.00 O ATOM 5 CB MET A 1 2.469 -0.601 0.678 1.00 0.00 C ATOM 6 CG MET A 1 1.505 0.482 1.174 1.00 0.00 C ATOM 7 SD MET A 1 0.085 0.865 0.101 1.00 0.00 S ATOM 8 CE MET A 1 0.885 1.747 -1.272 1.00 0.00 C ATOM 0 H1 MET A 1 0.044 -2.830 0.592 1.00 0.00 H new ATOM 0 H2 MET A 1 1.386 -3.479 1.407 1.00 0.00 H new ATOM 0 H3 MET A 1 0.752 -1.976 1.878 1.00 0.00 H new ATOM 0 HA MET A 1 1.245 -1.639 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.123 -0.871 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.099 -0.159 -0.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.123 0.177 2.148 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.073 1.399 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.174 1.868 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.216 2.728 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.745 1.175 -1.620 1.00 0.00 H new ATOM 18 N LYS A 2 3.870 -2.411 -1.279 1.00 0.00 N ATOM 19 CA LYS A 2 5.069 -3.177 -1.675 1.00 0.00 C ATOM 20 C LYS A 2 5.917 -3.414 -0.449 1.00 0.00 C ATOM 21 O LYS A 2 6.208 -2.450 0.257 1.00 0.00 O ATOM 22 CB LYS A 2 5.950 -2.461 -2.718 1.00 0.00 C ATOM 23 CG LYS A 2 5.196 -2.021 -3.972 1.00 0.00 C ATOM 24 CD LYS A 2 4.696 -0.562 -3.872 1.00 0.00 C ATOM 25 CE LYS A 2 5.745 0.512 -4.219 1.00 0.00 C ATOM 26 NZ LYS A 2 5.935 0.572 -5.695 1.00 0.00 N ATOM 0 H LYS A 2 3.768 -1.521 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 2 4.709 -4.101 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.405 -1.586 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.763 -3.126 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.848 -2.121 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.346 -2.684 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.841 -0.441 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.339 -0.385 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.422 1.483 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.691 0.281 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.281 1.516 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.629 -0.146 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.028 0.389 -6.170 1.00 0.00 H new ATOM 40 N LYS A 3 6.328 -4.643 -0.193 1.00 0.00 N ATOM 41 CA LYS A 3 7.143 -4.942 0.975 1.00 0.00 C ATOM 42 C LYS A 3 8.590 -4.830 0.546 1.00 0.00 C ATOM 43 O LYS A 3 8.960 -5.385 -0.490 1.00 0.00 O ATOM 44 CB LYS A 3 6.811 -6.330 1.530 1.00 0.00 C ATOM 45 CG LYS A 3 5.301 -6.556 1.717 1.00 0.00 C ATOM 46 CD LYS A 3 4.953 -8.000 2.091 1.00 0.00 C ATOM 47 CE LYS A 3 5.588 -8.479 3.412 1.00 0.00 C ATOM 48 NZ LYS A 3 5.268 -9.902 3.685 1.00 0.00 N ATOM 0 H LYS A 3 6.112 -5.451 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 3 6.942 -4.240 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.206 -7.089 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.314 -6.462 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.933 -5.887 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.783 -6.290 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.870 -8.093 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.275 -8.660 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.669 -8.351 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.230 -7.860 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.765 -10.211 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.242 -10.007 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.572 -10.487 2.880 1.00 0.00 H new ATOM 62 N VAL A 4 9.388 -4.145 1.352 1.00 0.00 N ATOM 63 CA VAL A 4 10.807 -3.941 1.119 1.00 0.00 C ATOM 64 C VAL A 4 11.569 -4.708 2.197 1.00 0.00 C ATOM 65 O VAL A 4 11.059 -4.904 3.303 1.00 0.00 O ATOM 66 CB VAL A 4 11.180 -2.447 1.069 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.612 -2.205 0.561 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.206 -1.648 0.183 1.00 0.00 C ATOM 0 H VAL A 4 9.055 -3.704 2.210 1.00 0.00 H new ATOM 0 HA VAL A 4 11.084 -4.326 0.138 1.00 0.00 H new ATOM 0 HB VAL A 4 11.114 -2.100 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.817 -1.135 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.322 -2.702 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.713 -2.606 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.501 -0.599 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.231 -2.042 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.195 -1.737 0.582 1.00 0.00 H new ATOM 78 N MET A 5 12.800 -5.098 1.893 1.00 0.00 N ATOM 79 CA MET A 5 13.699 -5.803 2.785 1.00 0.00 C ATOM 80 C MET A 5 15.070 -5.156 2.642 1.00 0.00 C ATOM 81 O MET A 5 15.458 -4.776 1.535 1.00 0.00 O ATOM 82 CB MET A 5 13.756 -7.268 2.348 1.00 0.00 C ATOM 83 CG MET A 5 14.672 -8.141 3.213 1.00 0.00 C ATOM 84 SD MET A 5 14.290 -8.153 4.983 1.00 0.00 S ATOM 85 CE MET A 5 12.966 -9.390 5.001 1.00 0.00 C ATOM 0 H MET A 5 13.213 -4.922 0.977 1.00 0.00 H new ATOM 0 HA MET A 5 13.368 -5.755 3.822 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.748 -7.683 2.371 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.097 -7.315 1.314 1.00 0.00 H new ATOM 0 HG2 MET A 5 14.626 -9.165 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.699 -7.800 3.083 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.365 -9.267 5.902 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.334 -9.259 4.123 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.401 -10.389 4.989 1.00 0.00 H new ATOM 95 N PHE A 6 15.812 -5.104 3.742 1.00 0.00 N ATOM 96 CA PHE A 6 17.174 -4.605 3.797 1.00 0.00 C ATOM 97 C PHE A 6 18.008 -5.720 4.419 1.00 0.00 C ATOM 98 O PHE A 6 17.709 -6.155 5.533 1.00 0.00 O ATOM 99 CB PHE A 6 17.223 -3.305 4.607 1.00 0.00 C ATOM 100 CG PHE A 6 16.516 -2.179 3.894 1.00 0.00 C ATOM 101 CD1 PHE A 6 17.190 -1.403 2.936 1.00 0.00 C ATOM 102 CD2 PHE A 6 15.134 -2.023 4.073 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.471 -0.485 2.154 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.415 -1.146 3.257 1.00 0.00 C ATOM 105 CZ PHE A 6 15.081 -0.361 2.303 1.00 0.00 C ATOM 0 H PHE A 6 15.467 -5.419 4.649 1.00 0.00 H new ATOM 0 HA PHE A 6 17.568 -4.356 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.762 -3.465 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.261 -3.027 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.256 -1.512 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.624 -2.582 4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.991 0.129 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.343 -1.072 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.528 0.333 1.688 1.00 0.00 H new ATOM 115 N VAL A 7 18.999 -6.231 3.693 1.00 0.00 N ATOM 116 CA VAL A 7 19.748 -7.420 4.086 1.00 0.00 C ATOM 117 C VAL A 7 21.083 -6.930 4.625 1.00 0.00 C ATOM 118 O VAL A 7 21.774 -6.161 3.951 1.00 0.00 O ATOM 119 CB VAL A 7 19.915 -8.381 2.889 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.505 -9.730 3.316 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.600 -8.654 2.139 1.00 0.00 C ATOM 0 H VAL A 7 19.307 -5.828 2.808 1.00 0.00 H new ATOM 0 HA VAL A 7 19.223 -7.991 4.852 1.00 0.00 H new ATOM 0 HB VAL A 7 20.601 -7.865 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.606 -10.376 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.485 -9.572 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.844 -10.203 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.789 -9.336 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.878 -9.103 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.200 -7.716 1.753 1.00 0.00 H new ATOM 131 N CYS A 8 21.429 -7.358 5.837 1.00 0.00 N ATOM 132 CA CYS A 8 22.590 -6.867 6.564 1.00 0.00 C ATOM 133 C CYS A 8 23.648 -7.972 6.704 1.00 0.00 C ATOM 134 O CYS A 8 23.326 -9.163 6.710 1.00 0.00 O ATOM 135 CB CYS A 8 22.162 -6.372 7.964 1.00 0.00 C ATOM 136 SG CYS A 8 20.558 -5.498 7.995 1.00 0.00 S ATOM 0 H CYS A 8 20.901 -8.066 6.346 1.00 0.00 H new ATOM 0 HA CYS A 8 23.024 -6.039 6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.110 -7.227 8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.933 -5.706 8.352 1.00 0.00 H new ATOM 0 HG CYS A 8 19.593 -6.358 7.855 1.00 0.00 H new ATOM 142 N LYS A 9 24.906 -7.563 6.904 1.00 0.00 N ATOM 143 CA LYS A 9 26.046 -8.414 7.273 1.00 0.00 C ATOM 144 C LYS A 9 26.986 -7.514 8.084 1.00 0.00 C ATOM 145 O LYS A 9 26.983 -6.303 7.841 1.00 0.00 O ATOM 146 CB LYS A 9 26.704 -8.985 5.995 1.00 0.00 C ATOM 147 CG LYS A 9 27.606 -10.209 6.240 1.00 0.00 C ATOM 148 CD LYS A 9 26.805 -11.472 6.603 1.00 0.00 C ATOM 149 CE LYS A 9 27.695 -12.718 6.779 1.00 0.00 C ATOM 150 NZ LYS A 9 28.502 -12.688 8.028 1.00 0.00 N ATOM 0 H LYS A 9 25.171 -6.583 6.809 1.00 0.00 H new ATOM 0 HA LYS A 9 25.760 -9.280 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.921 -9.261 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.296 -8.201 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.199 -10.404 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.307 -9.984 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.253 -11.293 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.068 -11.665 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.066 -13.609 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.365 -12.803 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.232 -13.427 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.956 -11.758 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.882 -12.858 8.846 1.00 0.00 H new ATOM 164 N ARG A 10 27.802 -8.067 8.984 1.00 0.00 N ATOM 165 CA ARG A 10 28.577 -7.310 9.983 1.00 0.00 C ATOM 166 C ARG A 10 27.600 -6.503 10.846 1.00 0.00 C ATOM 167 O ARG A 10 26.396 -6.761 10.803 1.00 0.00 O ATOM 168 CB ARG A 10 29.749 -6.535 9.299 1.00 0.00 C ATOM 169 CG ARG A 10 30.810 -5.953 10.263 1.00 0.00 C ATOM 170 CD ARG A 10 32.061 -5.360 9.610 1.00 0.00 C ATOM 171 NE ARG A 10 32.743 -6.275 8.687 1.00 0.00 N ATOM 172 CZ ARG A 10 33.495 -7.344 8.969 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.774 -7.685 10.227 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.960 -8.086 7.967 1.00 0.00 N ATOM 0 H ARG A 10 27.949 -9.075 9.044 1.00 0.00 H new ATOM 0 HA ARG A 10 29.102 -7.957 10.686 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.247 -7.207 8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.329 -5.718 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.337 -5.177 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 10 31.122 -6.742 10.947 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.782 -4.456 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.760 -5.061 10.392 1.00 0.00 H new ATOM 0 HE ARG A 10 32.628 -6.067 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.412 -7.126 10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.350 -8.505 10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.741 -7.836 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.535 -8.905 8.163 1.00 0.00 H new ATOM 188 N ASN A 11 28.095 -5.579 11.673 1.00 0.00 N ATOM 189 CA ASN A 11 27.274 -4.659 12.455 1.00 0.00 C ATOM 190 C ASN A 11 26.217 -4.054 11.543 1.00 0.00 C ATOM 191 O ASN A 11 26.516 -3.251 10.661 1.00 0.00 O ATOM 192 CB ASN A 11 28.121 -3.582 13.162 1.00 0.00 C ATOM 193 CG ASN A 11 27.306 -2.798 14.194 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.088 -2.677 14.102 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.962 -2.300 15.227 1.00 0.00 N ATOM 0 H ASN A 11 29.096 -5.449 11.819 1.00 0.00 H new ATOM 0 HA ASN A 11 26.781 -5.210 13.255 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.971 -4.055 13.654 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.525 -2.893 12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.456 -1.807 15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.974 -2.409 15.289 1.00 0.00 H new ATOM 202 N SER A 12 24.984 -4.521 11.722 1.00 0.00 N ATOM 203 CA SER A 12 23.867 -4.244 10.839 1.00 0.00 C ATOM 204 C SER A 12 23.291 -2.849 11.052 1.00 0.00 C ATOM 205 O SER A 12 22.254 -2.559 10.467 1.00 0.00 O ATOM 206 CB SER A 12 22.824 -5.311 11.123 1.00 0.00 C ATOM 207 OG SER A 12 23.356 -6.610 10.892 1.00 0.00 O ATOM 0 H SER A 12 24.733 -5.119 12.509 1.00 0.00 H new ATOM 0 HA SER A 12 24.194 -4.268 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.486 -5.230 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.952 -5.152 10.489 1.00 0.00 H new ATOM 0 HG SER A 12 24.321 -6.545 10.734 1.00 0.00 H new ATOM 213 N CYS A 13 23.922 -1.994 11.868 1.00 0.00 N ATOM 214 CA CYS A 13 23.495 -0.622 12.109 1.00 0.00 C ATOM 215 C CYS A 13 23.119 0.050 10.792 1.00 0.00 C ATOM 216 O CYS A 13 21.975 0.436 10.610 1.00 0.00 O ATOM 217 CB CYS A 13 24.606 0.129 12.873 1.00 0.00 C ATOM 218 SG CYS A 13 26.233 -0.003 12.055 1.00 0.00 S ATOM 0 H CYS A 13 24.762 -2.249 12.387 1.00 0.00 H new ATOM 0 HA CYS A 13 22.601 -0.605 12.732 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.333 1.180 12.963 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.679 -0.269 13.885 1.00 0.00 H new ATOM 0 HG CYS A 13 27.103 0.715 12.701 1.00 0.00 H new ATOM 224 N ARG A 14 24.044 0.086 9.830 1.00 0.00 N ATOM 225 CA ARG A 14 23.871 0.737 8.525 1.00 0.00 C ATOM 226 C ARG A 14 22.605 0.293 7.781 1.00 0.00 C ATOM 227 O ARG A 14 21.870 1.125 7.264 1.00 0.00 O ATOM 228 CB ARG A 14 25.160 0.521 7.692 1.00 0.00 C ATOM 229 CG ARG A 14 25.469 -0.960 7.370 1.00 0.00 C ATOM 230 CD ARG A 14 26.908 -1.188 6.906 1.00 0.00 C ATOM 231 NE ARG A 14 27.156 -2.643 6.765 1.00 0.00 N ATOM 232 CZ ARG A 14 27.266 -3.305 5.604 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.485 -2.638 4.485 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.123 -4.620 5.568 1.00 0.00 N ATOM 0 H ARG A 14 24.960 -0.348 9.938 1.00 0.00 H new ATOM 0 HA ARG A 14 23.719 1.804 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.071 1.073 6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.004 0.947 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.280 -1.565 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.785 -1.307 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.079 -0.685 5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.606 -0.757 7.624 1.00 0.00 H new ATOM 0 HE ARG A 14 27.251 -3.186 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.570 -1.622 4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.569 -3.139 3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.928 -5.135 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.208 -5.118 4.682 1.00 0.00 H new ATOM 248 N SER A 15 22.314 -1.003 7.746 1.00 0.00 N ATOM 249 CA SER A 15 21.285 -1.580 6.887 1.00 0.00 C ATOM 250 C SER A 15 19.938 -1.727 7.606 1.00 0.00 C ATOM 251 O SER A 15 18.892 -1.497 6.999 1.00 0.00 O ATOM 252 CB SER A 15 21.858 -2.875 6.287 1.00 0.00 C ATOM 253 OG SER A 15 22.902 -3.404 7.109 1.00 0.00 O ATOM 0 H SER A 15 22.794 -1.694 8.323 1.00 0.00 H new ATOM 0 HA SER A 15 21.039 -0.910 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.063 -3.614 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.243 -2.677 5.287 1.00 0.00 H new ATOM 0 HG SER A 15 23.545 -3.887 6.550 1.00 0.00 H new ATOM 259 N GLN A 16 19.924 -1.983 8.914 1.00 0.00 N ATOM 260 CA GLN A 16 18.694 -1.914 9.696 1.00 0.00 C ATOM 261 C GLN A 16 18.275 -0.435 9.850 1.00 0.00 C ATOM 262 O GLN A 16 17.080 -0.134 9.819 1.00 0.00 O ATOM 263 CB GLN A 16 18.893 -2.745 10.974 1.00 0.00 C ATOM 264 CG GLN A 16 17.656 -2.905 11.874 1.00 0.00 C ATOM 265 CD GLN A 16 17.605 -1.871 12.996 1.00 0.00 C ATOM 266 OE1 GLN A 16 17.952 -0.718 12.796 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.204 -2.251 14.200 1.00 0.00 N ATOM 0 H GLN A 16 20.751 -2.240 9.452 1.00 0.00 H new ATOM 0 HA GLN A 16 17.831 -2.369 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.240 -3.738 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.688 -2.286 11.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.756 -2.819 11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.654 -3.905 12.307 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.915 -3.216 14.360 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.184 -1.579 14.967 1.00 0.00 H new ATOM 276 N MET A 17 19.222 0.515 9.872 1.00 0.00 N ATOM 277 CA MET A 17 18.896 1.942 9.777 1.00 0.00 C ATOM 278 C MET A 17 18.271 2.225 8.429 1.00 0.00 C ATOM 279 O MET A 17 17.332 3.004 8.345 1.00 0.00 O ATOM 280 CB MET A 17 20.150 2.807 9.895 1.00 0.00 C ATOM 281 CG MET A 17 19.916 4.258 10.330 1.00 0.00 C ATOM 282 SD MET A 17 18.770 5.361 9.486 1.00 0.00 S ATOM 283 CE MET A 17 17.239 5.216 10.447 1.00 0.00 C ATOM 0 H MET A 17 20.219 0.319 9.955 1.00 0.00 H new ATOM 0 HA MET A 17 18.212 2.181 10.591 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.827 2.338 10.608 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.657 2.813 8.930 1.00 0.00 H new ATOM 0 HG2 MET A 17 19.599 4.221 11.372 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.889 4.748 10.309 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.431 5.726 9.923 1.00 0.00 H new ATOM 0 HE2 MET A 17 16.985 4.163 10.570 1.00 0.00 H new ATOM 0 HE3 MET A 17 17.380 5.672 11.427 1.00 0.00 H new ATOM 293 N ALA A 18 18.747 1.578 7.369 1.00 0.00 N ATOM 294 CA ALA A 18 18.188 1.793 6.052 1.00 0.00 C ATOM 295 C ALA A 18 16.698 1.451 6.054 1.00 0.00 C ATOM 296 O ALA A 18 15.916 2.194 5.474 1.00 0.00 O ATOM 297 CB ALA A 18 18.983 0.983 5.029 1.00 0.00 C ATOM 0 H ALA A 18 19.514 0.906 7.402 1.00 0.00 H new ATOM 0 HA ALA A 18 18.267 2.843 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.565 1.142 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.024 1.304 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.927 -0.076 5.281 1.00 0.00 H new ATOM 303 N GLU A 19 16.286 0.418 6.795 1.00 0.00 N ATOM 304 CA GLU A 19 14.872 0.153 7.036 1.00 0.00 C ATOM 305 C GLU A 19 14.224 1.306 7.817 1.00 0.00 C ATOM 306 O GLU A 19 13.105 1.684 7.483 1.00 0.00 O ATOM 307 CB GLU A 19 14.701 -1.173 7.784 1.00 0.00 C ATOM 308 CG GLU A 19 13.235 -1.599 7.927 1.00 0.00 C ATOM 309 CD GLU A 19 12.915 -2.275 9.274 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.739 -3.079 9.770 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.836 -1.997 9.847 1.00 0.00 O ATOM 0 H GLU A 19 16.918 -0.249 7.238 1.00 0.00 H new ATOM 0 HA GLU A 19 14.367 0.076 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.250 -1.954 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.145 -1.084 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.598 -0.722 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.985 -2.285 7.118 1.00 0.00 H new ATOM 318 N GLY A 20 14.882 1.907 8.817 1.00 0.00 N ATOM 319 CA GLY A 20 14.300 2.998 9.591 1.00 0.00 C ATOM 320 C GLY A 20 14.077 4.244 8.736 1.00 0.00 C ATOM 321 O GLY A 20 12.990 4.819 8.766 1.00 0.00 O ATOM 0 H GLY A 20 15.825 1.649 9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.350 2.675 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.957 3.243 10.425 1.00 0.00 H new ATOM 325 N PHE A 21 15.050 4.630 7.901 1.00 0.00 N ATOM 326 CA PHE A 21 14.838 5.691 6.913 1.00 0.00 C ATOM 327 C PHE A 21 13.758 5.263 5.939 1.00 0.00 C ATOM 328 O PHE A 21 12.922 6.081 5.583 1.00 0.00 O ATOM 329 CB PHE A 21 16.116 6.022 6.127 1.00 0.00 C ATOM 330 CG PHE A 21 17.044 7.042 6.749 1.00 0.00 C ATOM 331 CD1 PHE A 21 16.558 8.273 7.235 1.00 0.00 C ATOM 332 CD2 PHE A 21 18.423 6.785 6.776 1.00 0.00 C ATOM 333 CE1 PHE A 21 17.438 9.204 7.813 1.00 0.00 C ATOM 334 CE2 PHE A 21 19.292 7.705 7.376 1.00 0.00 C ATOM 335 CZ PHE A 21 18.807 8.913 7.904 1.00 0.00 C ATOM 0 H PHE A 21 15.986 4.225 7.891 1.00 0.00 H new ATOM 0 HA PHE A 21 14.539 6.587 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.675 5.098 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.826 6.381 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.505 8.502 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.814 5.880 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.060 10.144 8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.347 7.483 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.482 9.611 8.376 1.00 0.00 H new ATOM 345 N ALA A 22 13.732 4.008 5.497 1.00 0.00 N ATOM 346 CA ALA A 22 12.803 3.591 4.462 1.00 0.00 C ATOM 347 C ALA A 22 11.369 3.577 4.998 1.00 0.00 C ATOM 348 O ALA A 22 10.468 3.993 4.282 1.00 0.00 O ATOM 349 CB ALA A 22 13.266 2.255 3.863 1.00 0.00 C ATOM 0 H ALA A 22 14.343 3.268 5.841 1.00 0.00 H new ATOM 0 HA ALA A 22 12.797 4.311 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.568 1.943 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.260 2.375 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.300 1.497 4.646 1.00 0.00 H new ATOM 355 N LYS A 23 11.122 3.204 6.259 1.00 0.00 N ATOM 356 CA LYS A 23 9.784 3.271 6.854 1.00 0.00 C ATOM 357 C LYS A 23 9.356 4.704 7.178 1.00 0.00 C ATOM 358 O LYS A 23 8.171 4.959 7.354 1.00 0.00 O ATOM 359 CB LYS A 23 9.676 2.305 8.053 1.00 0.00 C ATOM 360 CG LYS A 23 10.250 2.830 9.378 1.00 0.00 C ATOM 361 CD LYS A 23 10.185 1.761 10.483 1.00 0.00 C ATOM 362 CE LYS A 23 10.684 2.263 11.855 1.00 0.00 C ATOM 363 NZ LYS A 23 9.745 3.216 12.521 1.00 0.00 N ATOM 0 H LYS A 23 11.839 2.850 6.892 1.00 0.00 H new ATOM 0 HA LYS A 23 9.064 2.932 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.625 2.058 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.188 1.377 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.285 3.140 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.694 3.714 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.156 1.416 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.782 0.900 10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.844 1.406 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.651 2.750 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.142 3.512 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.610 4.051 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.829 2.749 12.676 1.00 0.00 H new ATOM 377 N THR A 24 10.311 5.623 7.252 1.00 0.00 N ATOM 378 CA THR A 24 10.106 7.044 7.474 1.00 0.00 C ATOM 379 C THR A 24 9.765 7.726 6.142 1.00 0.00 C ATOM 380 O THR A 24 8.770 8.440 6.027 1.00 0.00 O ATOM 381 CB THR A 24 11.421 7.554 8.106 1.00 0.00 C ATOM 382 OG1 THR A 24 11.432 7.242 9.486 1.00 0.00 O ATOM 383 CG2 THR A 24 11.757 9.026 7.891 1.00 0.00 C ATOM 0 H THR A 24 11.297 5.383 7.154 1.00 0.00 H new ATOM 0 HA THR A 24 9.270 7.265 8.138 1.00 0.00 H new ATOM 0 HB THR A 24 12.210 7.029 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.932 6.412 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.702 9.259 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.844 9.227 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.966 9.645 8.313 1.00 0.00 H new ATOM 391 N LEU A 25 10.590 7.479 5.125 1.00 0.00 N ATOM 392 CA LEU A 25 10.584 8.178 3.848 1.00 0.00 C ATOM 393 C LEU A 25 9.622 7.524 2.849 1.00 0.00 C ATOM 394 O LEU A 25 9.101 8.192 1.959 1.00 0.00 O ATOM 395 CB LEU A 25 12.008 8.156 3.268 1.00 0.00 C ATOM 396 CG LEU A 25 13.040 9.056 3.961 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.425 8.808 3.341 1.00 0.00 C ATOM 398 CD2 LEU A 25 12.691 10.542 3.833 1.00 0.00 C ATOM 0 H LEU A 25 11.308 6.757 5.174 1.00 0.00 H new ATOM 0 HA LEU A 25 10.248 9.201 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.374 7.130 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.954 8.444 2.218 1.00 0.00 H new ATOM 0 HG LEU A 25 13.039 8.805 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.162 9.445 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.702 7.763 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.394 9.040 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.450 11.139 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.655 10.818 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.719 10.728 4.290 1.00 0.00 H new ATOM 410 N GLY A 26 9.373 6.220 3.010 1.00 0.00 N ATOM 411 CA GLY A 26 8.519 5.386 2.167 1.00 0.00 C ATOM 412 C GLY A 26 7.134 5.171 2.780 1.00 0.00 C ATOM 413 O GLY A 26 6.383 4.295 2.352 1.00 0.00 O ATOM 0 H GLY A 26 9.787 5.691 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.412 5.852 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.999 4.420 2.010 1.00 0.00 H new ATOM 417 N ALA A 27 6.812 5.933 3.822 1.00 0.00 N ATOM 418 CA ALA A 27 5.629 5.761 4.637 1.00 0.00 C ATOM 419 C ALA A 27 4.388 5.971 3.771 1.00 0.00 C ATOM 420 O ALA A 27 4.252 7.004 3.112 1.00 0.00 O ATOM 421 CB ALA A 27 5.688 6.749 5.809 1.00 0.00 C ATOM 0 H ALA A 27 7.394 6.713 4.127 1.00 0.00 H new ATOM 0 HA ALA A 27 5.580 4.752 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.801 6.629 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.579 6.553 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.726 7.768 5.424 1.00 0.00 H new ATOM 427 N GLY A 28 3.501 4.975 3.755 1.00 0.00 N ATOM 428 CA GLY A 28 2.267 5.022 2.972 1.00 0.00 C ATOM 429 C GLY A 28 2.464 4.705 1.492 1.00 0.00 C ATOM 430 O GLY A 28 1.530 4.870 0.708 1.00 0.00 O ATOM 0 H GLY A 28 3.619 4.112 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.553 4.314 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.826 6.014 3.066 1.00 0.00 H new ATOM 434 N LYS A 29 3.659 4.250 1.092 1.00 0.00 N ATOM 435 CA LYS A 29 4.032 3.950 -0.276 1.00 0.00 C ATOM 436 C LYS A 29 4.595 2.535 -0.326 1.00 0.00 C ATOM 437 O LYS A 29 4.405 1.823 -1.305 1.00 0.00 O ATOM 438 CB LYS A 29 5.067 4.980 -0.740 1.00 0.00 C ATOM 439 CG LYS A 29 4.542 6.425 -0.711 1.00 0.00 C ATOM 440 CD LYS A 29 3.509 6.723 -1.809 1.00 0.00 C ATOM 441 CE LYS A 29 3.106 8.206 -1.765 1.00 0.00 C ATOM 442 NZ LYS A 29 2.110 8.551 -2.816 1.00 0.00 N ATOM 0 H LYS A 29 4.418 4.077 1.751 1.00 0.00 H new ATOM 0 HA LYS A 29 3.170 4.004 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.950 4.909 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.383 4.736 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.093 6.621 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.382 7.111 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.925 6.480 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.629 6.095 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.692 8.439 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.994 8.826 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.869 9.560 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.513 8.354 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.251 7.980 -2.682 1.00 0.00 H new ATOM 456 N ILE A 30 5.230 2.106 0.767 1.00 0.00 N ATOM 457 CA ILE A 30 5.805 0.786 0.951 1.00 0.00 C ATOM 458 C ILE A 30 5.626 0.328 2.402 1.00 0.00 C ATOM 459 O ILE A 30 5.316 1.116 3.294 1.00 0.00 O ATOM 460 CB ILE A 30 7.306 0.829 0.597 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.111 1.875 1.403 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.492 1.064 -0.907 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.607 1.571 1.513 1.00 0.00 C ATOM 0 H ILE A 30 5.360 2.704 1.583 1.00 0.00 H new ATOM 0 HA ILE A 30 5.295 0.079 0.296 1.00 0.00 H new ATOM 0 HB ILE A 30 7.708 -0.145 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.984 2.852 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.692 1.944 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.556 1.092 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.019 0.255 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.034 2.013 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.096 2.354 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.748 0.610 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.045 1.532 0.515 1.00 0.00 H new ATOM 475 N ALA A 31 5.848 -0.967 2.603 1.00 0.00 N ATOM 476 CA ALA A 31 5.991 -1.634 3.891 1.00 0.00 C ATOM 477 C ALA A 31 7.463 -2.022 3.928 1.00 0.00 C ATOM 478 O ALA A 31 8.037 -2.312 2.882 1.00 0.00 O ATOM 479 CB ALA A 31 5.085 -2.867 3.954 1.00 0.00 C ATOM 0 H ALA A 31 5.938 -1.618 1.823 1.00 0.00 H new ATOM 0 HA ALA A 31 5.704 -1.011 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.202 -3.355 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.046 -2.562 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.361 -3.562 3.161 1.00 0.00 H new ATOM 485 N VAL A 32 8.097 -2.023 5.093 1.00 0.00 N ATOM 486 CA VAL A 32 9.542 -2.132 5.201 1.00 0.00 C ATOM 487 C VAL A 32 9.953 -3.143 6.294 1.00 0.00 C ATOM 488 O VAL A 32 9.264 -3.264 7.310 1.00 0.00 O ATOM 489 CB VAL A 32 10.060 -0.700 5.471 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.488 -0.523 4.997 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.234 0.446 4.834 1.00 0.00 C ATOM 0 H VAL A 32 7.620 -1.948 5.992 1.00 0.00 H new ATOM 0 HA VAL A 32 9.987 -2.524 4.287 1.00 0.00 H new ATOM 0 HB VAL A 32 9.970 -0.616 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.816 0.496 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.135 -1.226 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.541 -0.711 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.686 1.405 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.220 0.326 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.213 0.414 5.215 1.00 0.00 H new ATOM 501 N THR A 33 11.071 -3.857 6.081 1.00 0.00 N ATOM 502 CA THR A 33 11.572 -4.943 6.939 1.00 0.00 C ATOM 503 C THR A 33 13.111 -5.028 6.820 1.00 0.00 C ATOM 504 O THR A 33 13.669 -4.538 5.838 1.00 0.00 O ATOM 505 CB THR A 33 10.930 -6.290 6.521 1.00 0.00 C ATOM 506 OG1 THR A 33 9.829 -6.157 5.631 1.00 0.00 O ATOM 507 CG2 THR A 33 10.454 -7.095 7.734 1.00 0.00 C ATOM 0 H THR A 33 11.673 -3.687 5.276 1.00 0.00 H new ATOM 0 HA THR A 33 11.304 -4.735 7.975 1.00 0.00 H new ATOM 0 HB THR A 33 11.732 -6.813 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.137 -5.767 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.010 -8.032 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.302 -7.308 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.710 -6.518 8.284 1.00 0.00 H new ATOM 515 N SER A 34 13.821 -5.686 7.744 1.00 0.00 N ATOM 516 CA SER A 34 15.262 -5.941 7.631 1.00 0.00 C ATOM 517 C SER A 34 15.579 -7.382 8.046 1.00 0.00 C ATOM 518 O SER A 34 14.746 -8.049 8.670 1.00 0.00 O ATOM 519 CB SER A 34 16.063 -4.914 8.442 1.00 0.00 C ATOM 520 OG SER A 34 15.604 -4.833 9.773 1.00 0.00 O ATOM 0 H SER A 34 13.408 -6.060 8.599 1.00 0.00 H new ATOM 0 HA SER A 34 15.563 -5.826 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.118 -5.188 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.985 -3.935 7.969 1.00 0.00 H new ATOM 0 HG SER A 34 15.162 -3.970 9.915 1.00 0.00 H new ATOM 526 N CYS A 35 16.783 -7.867 7.722 1.00 0.00 N ATOM 527 CA CYS A 35 17.263 -9.179 8.143 1.00 0.00 C ATOM 528 C CYS A 35 18.779 -9.149 8.292 1.00 0.00 C ATOM 529 O CYS A 35 19.451 -8.368 7.625 1.00 0.00 O ATOM 530 CB CYS A 35 16.796 -10.238 7.126 1.00 0.00 C ATOM 531 SG CYS A 35 17.346 -9.904 5.435 1.00 0.00 S ATOM 0 H CYS A 35 17.455 -7.351 7.154 1.00 0.00 H new ATOM 0 HA CYS A 35 16.848 -9.444 9.116 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.167 -11.215 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.707 -10.291 7.142 1.00 0.00 H new ATOM 0 HG CYS A 35 16.450 -9.191 4.820 1.00 0.00 H new ATOM 537 N GLY A 36 19.308 -9.978 9.188 1.00 0.00 N ATOM 538 CA GLY A 36 20.702 -9.957 9.605 1.00 0.00 C ATOM 539 C GLY A 36 20.714 -9.616 11.088 1.00 0.00 C ATOM 540 O GLY A 36 20.415 -10.496 11.894 1.00 0.00 O ATOM 0 H GLY A 36 18.762 -10.702 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.173 -10.924 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.265 -9.218 9.034 1.00 0.00 H new ATOM 544 N LEU A 37 20.968 -8.342 11.439 1.00 0.00 N ATOM 545 CA LEU A 37 21.166 -7.907 12.826 1.00 0.00 C ATOM 546 C LEU A 37 22.254 -8.777 13.473 1.00 0.00 C ATOM 547 O LEU A 37 22.095 -9.312 14.572 1.00 0.00 O ATOM 548 CB LEU A 37 19.820 -7.780 13.584 1.00 0.00 C ATOM 549 CG LEU A 37 19.114 -6.402 13.519 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.948 -6.374 14.524 1.00 0.00 C ATOM 551 CD2 LEU A 37 20.007 -5.194 13.832 1.00 0.00 C ATOM 0 H LEU A 37 21.041 -7.584 10.761 1.00 0.00 H new ATOM 0 HA LEU A 37 21.551 -6.888 12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.136 -8.532 13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.995 -8.024 14.632 1.00 0.00 H new ATOM 0 HG LEU A 37 18.791 -6.305 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.451 -5.405 14.478 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.234 -7.159 14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.332 -6.538 15.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.419 -4.279 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.408 -5.289 14.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.829 -5.155 13.118 1.00 0.00 H new ATOM 563 N GLU A 38 23.377 -8.929 12.749 1.00 0.00 N ATOM 564 CA GLU A 38 24.514 -9.747 13.161 1.00 0.00 C ATOM 565 C GLU A 38 25.208 -9.146 14.391 1.00 0.00 C ATOM 566 O GLU A 38 25.928 -9.842 15.108 1.00 0.00 O ATOM 567 CB GLU A 38 25.487 -9.883 11.978 1.00 0.00 C ATOM 568 CG GLU A 38 26.436 -11.086 12.105 1.00 0.00 C ATOM 569 CD GLU A 38 27.040 -11.506 10.752 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.611 -10.663 10.025 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.977 -12.707 10.390 1.00 0.00 O ATOM 0 H GLU A 38 23.515 -8.475 11.846 1.00 0.00 H new ATOM 0 HA GLU A 38 24.163 -10.738 13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.915 -9.977 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.078 -8.971 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.241 -10.838 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 38 25.894 -11.929 12.535 1.00 0.00 H new ATOM 578 N SER A 39 24.944 -7.865 14.671 1.00 0.00 N ATOM 579 CA SER A 39 25.356 -7.107 15.847 1.00 0.00 C ATOM 580 C SER A 39 24.621 -7.538 17.140 1.00 0.00 C ATOM 581 O SER A 39 24.435 -6.736 18.059 1.00 0.00 O ATOM 582 CB SER A 39 25.211 -5.612 15.511 1.00 0.00 C ATOM 583 OG SER A 39 24.302 -5.372 14.428 1.00 0.00 O ATOM 0 H SER A 39 24.395 -7.292 14.030 1.00 0.00 H new ATOM 0 HA SER A 39 26.400 -7.319 16.079 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.865 -5.077 16.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 26.189 -5.205 15.255 1.00 0.00 H new ATOM 0 HG SER A 39 24.245 -4.409 14.256 1.00 0.00 H new ATOM 589 N SER A 40 24.238 -8.815 17.222 1.00 0.00 N ATOM 590 CA SER A 40 23.522 -9.431 18.333 1.00 0.00 C ATOM 591 C SER A 40 22.199 -8.702 18.609 1.00 0.00 C ATOM 592 O SER A 40 21.998 -8.108 19.673 1.00 0.00 O ATOM 593 CB SER A 40 24.441 -9.572 19.560 1.00 0.00 C ATOM 594 OG SER A 40 25.649 -10.242 19.215 1.00 0.00 O ATOM 0 H SER A 40 24.431 -9.479 16.473 1.00 0.00 H new ATOM 0 HA SER A 40 23.236 -10.447 18.062 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.670 -8.586 19.963 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.925 -10.125 20.345 1.00 0.00 H new ATOM 0 HG SER A 40 26.219 -10.319 20.009 1.00 0.00 H new ATOM 600 N ARG A 41 21.284 -8.775 17.627 1.00 0.00 N ATOM 601 CA ARG A 41 20.009 -8.044 17.626 1.00 0.00 C ATOM 602 C ARG A 41 20.298 -6.531 17.654 1.00 0.00 C ATOM 603 O ARG A 41 21.295 -6.089 17.084 1.00 0.00 O ATOM 604 CB ARG A 41 19.044 -8.565 18.725 1.00 0.00 C ATOM 605 CG ARG A 41 18.848 -10.093 18.767 1.00 0.00 C ATOM 606 CD ARG A 41 18.235 -10.691 17.489 1.00 0.00 C ATOM 607 NE ARG A 41 18.083 -12.152 17.617 1.00 0.00 N ATOM 608 CZ ARG A 41 17.435 -12.968 16.773 1.00 0.00 C ATOM 609 NH1 ARG A 41 16.825 -12.509 15.689 1.00 0.00 N ATOM 610 NH2 ARG A 41 17.398 -14.274 17.015 1.00 0.00 N ATOM 0 H ARG A 41 21.414 -9.355 16.798 1.00 0.00 H new ATOM 0 HA ARG A 41 19.459 -8.233 16.704 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.416 -8.237 19.696 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.071 -8.095 18.582 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.813 -10.566 18.948 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.208 -10.342 19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.264 -10.235 17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.869 -10.460 16.633 1.00 0.00 H new ATOM 0 HE ARG A 41 18.516 -12.587 18.432 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.841 -11.511 15.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.340 -13.154 15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.862 -14.653 17.841 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.906 -14.898 16.375 1.00 0.00 H new ATOM 624 N VAL A 42 19.369 -5.729 18.185 1.00 0.00 N ATOM 625 CA VAL A 42 19.447 -4.269 18.210 1.00 0.00 C ATOM 626 C VAL A 42 20.763 -3.815 18.857 1.00 0.00 C ATOM 627 O VAL A 42 21.279 -4.449 19.781 1.00 0.00 O ATOM 628 CB VAL A 42 18.176 -3.721 18.892 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.268 -2.252 19.321 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.953 -3.889 17.971 1.00 0.00 C ATOM 0 H VAL A 42 18.520 -6.090 18.620 1.00 0.00 H new ATOM 0 HA VAL A 42 19.471 -3.855 17.202 1.00 0.00 H new ATOM 0 HB VAL A 42 18.069 -4.312 19.802 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.332 -1.951 19.791 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.086 -2.131 20.031 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.452 -1.628 18.446 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.066 -3.497 18.469 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.119 -3.343 17.042 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.807 -4.946 17.749 1.00 0.00 H new ATOM 640 N HIS A 43 21.266 -2.680 18.362 1.00 0.00 N ATOM 641 CA HIS A 43 22.594 -2.164 18.657 1.00 0.00 C ATOM 642 C HIS A 43 22.475 -0.690 19.084 1.00 0.00 C ATOM 643 O HIS A 43 22.157 0.158 18.250 1.00 0.00 O ATOM 644 CB HIS A 43 23.449 -2.376 17.402 1.00 0.00 C ATOM 645 CG HIS A 43 24.896 -2.025 17.626 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.800 -2.721 18.398 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.537 -0.913 17.155 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.958 -2.038 18.393 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.850 -0.931 17.634 1.00 0.00 N ATOM 0 H HIS A 43 20.739 -2.081 17.726 1.00 0.00 H new ATOM 0 HA HIS A 43 23.076 -2.682 19.486 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.375 -3.417 17.087 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.052 -1.768 16.589 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.104 -0.152 16.522 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.850 -2.336 18.924 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.580 -0.244 17.446 1.00 0.00 H new ATOM 657 N PRO A 44 22.729 -0.349 20.360 1.00 0.00 N ATOM 658 CA PRO A 44 22.423 0.966 20.933 1.00 0.00 C ATOM 659 C PRO A 44 23.220 2.126 20.333 1.00 0.00 C ATOM 660 O PRO A 44 22.679 3.228 20.238 1.00 0.00 O ATOM 661 CB PRO A 44 22.680 0.827 22.439 1.00 0.00 C ATOM 662 CG PRO A 44 23.720 -0.286 22.512 1.00 0.00 C ATOM 663 CD PRO A 44 23.295 -1.217 21.381 1.00 0.00 C ATOM 0 HA PRO A 44 21.390 1.230 20.704 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.052 1.756 22.872 1.00 0.00 H new ATOM 0 HB3 PRO A 44 21.771 0.565 22.980 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.731 0.094 22.365 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.706 -0.790 23.478 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.145 -1.778 20.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.563 -1.947 21.727 1.00 0.00 H new ATOM 671 N THR A 45 24.452 1.910 19.868 1.00 0.00 N ATOM 672 CA THR A 45 25.227 2.960 19.200 1.00 0.00 C ATOM 673 C THR A 45 24.473 3.451 17.963 1.00 0.00 C ATOM 674 O THR A 45 24.448 4.651 17.704 1.00 0.00 O ATOM 675 CB THR A 45 26.634 2.436 18.846 1.00 0.00 C ATOM 676 OG1 THR A 45 27.177 1.759 19.970 1.00 0.00 O ATOM 677 CG2 THR A 45 27.587 3.563 18.426 1.00 0.00 C ATOM 0 H THR A 45 24.936 1.015 19.942 1.00 0.00 H new ATOM 0 HA THR A 45 25.353 3.808 19.873 1.00 0.00 H new ATOM 0 HB THR A 45 26.530 1.758 17.998 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.071 1.423 19.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.564 3.143 18.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.186 4.071 17.549 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.689 4.277 19.243 1.00 0.00 H new ATOM 685 N ALA A 46 23.782 2.560 17.238 1.00 0.00 N ATOM 686 CA ALA A 46 23.021 2.958 16.061 1.00 0.00 C ATOM 687 C ALA A 46 21.882 3.874 16.489 1.00 0.00 C ATOM 688 O ALA A 46 21.679 4.917 15.887 1.00 0.00 O ATOM 689 CB ALA A 46 22.504 1.717 15.311 1.00 0.00 C ATOM 0 H ALA A 46 23.739 1.563 17.451 1.00 0.00 H new ATOM 0 HA ALA A 46 23.664 3.505 15.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.938 2.031 14.434 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.349 1.104 14.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.859 1.136 15.970 1.00 0.00 H new ATOM 695 N ILE A 47 21.185 3.528 17.567 1.00 0.00 N ATOM 696 CA ILE A 47 20.064 4.314 18.075 1.00 0.00 C ATOM 697 C ILE A 47 20.563 5.713 18.416 1.00 0.00 C ATOM 698 O ILE A 47 19.916 6.674 18.020 1.00 0.00 O ATOM 699 CB ILE A 47 19.380 3.615 19.261 1.00 0.00 C ATOM 700 CG1 ILE A 47 18.459 2.471 18.815 1.00 0.00 C ATOM 701 CG2 ILE A 47 18.528 4.564 20.127 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.108 1.247 18.167 1.00 0.00 C ATOM 0 H ILE A 47 21.382 2.691 18.116 1.00 0.00 H new ATOM 0 HA ILE A 47 19.294 4.403 17.308 1.00 0.00 H new ATOM 0 HB ILE A 47 20.213 3.232 19.850 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.899 2.132 19.687 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.735 2.879 18.110 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.076 4.003 20.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.161 5.352 20.535 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.744 5.009 19.515 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.337 0.523 17.904 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.641 1.552 17.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.809 0.793 18.868 1.00 0.00 H new ATOM 714 N ALA A 48 21.717 5.850 19.072 1.00 0.00 N ATOM 715 CA ALA A 48 22.260 7.173 19.370 1.00 0.00 C ATOM 716 C ALA A 48 22.556 7.963 18.093 1.00 0.00 C ATOM 717 O ALA A 48 22.237 9.146 18.013 1.00 0.00 O ATOM 718 CB ALA A 48 23.510 7.068 20.237 1.00 0.00 C ATOM 0 H ALA A 48 22.286 5.071 19.403 1.00 0.00 H new ATOM 0 HA ALA A 48 21.498 7.717 19.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.894 8.067 20.444 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.261 6.573 21.176 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.270 6.489 19.712 1.00 0.00 H new ATOM 724 N MET A 49 23.123 7.316 17.074 1.00 0.00 N ATOM 725 CA MET A 49 23.401 7.982 15.804 1.00 0.00 C ATOM 726 C MET A 49 22.127 8.434 15.118 1.00 0.00 C ATOM 727 O MET A 49 22.167 9.414 14.371 1.00 0.00 O ATOM 728 CB MET A 49 24.158 7.077 14.842 1.00 0.00 C ATOM 729 CG MET A 49 25.540 6.732 15.362 1.00 0.00 C ATOM 730 SD MET A 49 26.662 8.119 15.668 1.00 0.00 S ATOM 731 CE MET A 49 26.552 8.160 17.478 1.00 0.00 C ATOM 0 H MET A 49 23.398 6.334 17.104 1.00 0.00 H new ATOM 0 HA MET A 49 24.015 8.848 16.052 1.00 0.00 H new ATOM 0 HB2 MET A 49 23.590 6.160 14.683 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.247 7.569 13.874 1.00 0.00 H new ATOM 0 HG2 MET A 49 25.425 6.176 16.292 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.015 6.061 14.646 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.333 8.808 17.875 1.00 0.00 H new ATOM 0 HE2 MET A 49 25.576 8.545 17.775 1.00 0.00 H new ATOM 0 HE3 MET A 49 26.680 7.152 17.873 1.00 0.00 H new ATOM 741 N MET A 50 21.021 7.730 15.329 1.00 0.00 N ATOM 742 CA MET A 50 19.756 8.071 14.697 1.00 0.00 C ATOM 743 C MET A 50 19.050 9.127 15.540 1.00 0.00 C ATOM 744 O MET A 50 18.423 10.018 14.982 1.00 0.00 O ATOM 745 CB MET A 50 18.897 6.817 14.497 1.00 0.00 C ATOM 746 CG MET A 50 19.590 5.696 13.714 1.00 0.00 C ATOM 747 SD MET A 50 21.053 6.124 12.712 1.00 0.00 S ATOM 748 CE MET A 50 22.007 4.578 12.760 1.00 0.00 C ATOM 0 H MET A 50 20.977 6.913 15.938 1.00 0.00 H new ATOM 0 HA MET A 50 19.934 8.487 13.705 1.00 0.00 H new ATOM 0 HB2 MET A 50 18.602 6.433 15.474 1.00 0.00 H new ATOM 0 HB3 MET A 50 17.982 7.097 13.975 1.00 0.00 H new ATOM 0 HG2 MET A 50 19.888 4.927 14.426 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.851 5.247 13.050 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.614 4.497 11.858 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.656 4.578 13.635 1.00 0.00 H new ATOM 0 HE3 MET A 50 21.324 3.730 12.815 1.00 0.00 H new ATOM 758 N GLU A 51 19.218 9.106 16.858 1.00 0.00 N ATOM 759 CA GLU A 51 18.708 10.119 17.763 1.00 0.00 C ATOM 760 C GLU A 51 19.357 11.474 17.453 1.00 0.00 C ATOM 761 O GLU A 51 18.695 12.511 17.506 1.00 0.00 O ATOM 762 CB GLU A 51 18.972 9.659 19.210 1.00 0.00 C ATOM 763 CG GLU A 51 18.320 10.553 20.273 1.00 0.00 C ATOM 764 CD GLU A 51 16.781 10.459 20.264 1.00 0.00 C ATOM 765 OE1 GLU A 51 16.119 11.243 19.542 1.00 0.00 O ATOM 766 OE2 GLU A 51 16.218 9.617 21.005 1.00 0.00 O ATOM 0 H GLU A 51 19.727 8.362 17.335 1.00 0.00 H new ATOM 0 HA GLU A 51 17.633 10.248 17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.604 8.640 19.330 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.048 9.632 19.382 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.692 10.270 21.258 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.618 11.588 20.105 1.00 0.00 H new ATOM 773 N GLU A 52 20.622 11.457 17.028 1.00 0.00 N ATOM 774 CA GLU A 52 21.354 12.624 16.555 1.00 0.00 C ATOM 775 C GLU A 52 20.711 13.242 15.291 1.00 0.00 C ATOM 776 O GLU A 52 21.052 14.373 14.941 1.00 0.00 O ATOM 777 CB GLU A 52 22.829 12.236 16.322 1.00 0.00 C ATOM 778 CG GLU A 52 23.661 12.082 17.607 1.00 0.00 C ATOM 779 CD GLU A 52 24.240 13.428 18.072 1.00 0.00 C ATOM 780 OE1 GLU A 52 23.522 14.210 18.741 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.428 13.700 17.771 1.00 0.00 O ATOM 0 H GLU A 52 21.178 10.602 17.005 1.00 0.00 H new ATOM 0 HA GLU A 52 21.309 13.400 17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 52 22.861 11.297 15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.295 12.993 15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.038 11.661 18.396 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.474 11.377 17.433 1.00 0.00 H new ATOM 788 N VAL A 53 19.768 12.553 14.627 1.00 0.00 N ATOM 789 CA VAL A 53 18.961 13.055 13.517 1.00 0.00 C ATOM 790 C VAL A 53 17.448 12.844 13.763 1.00 0.00 C ATOM 791 O VAL A 53 16.635 13.021 12.852 1.00 0.00 O ATOM 792 CB VAL A 53 19.460 12.444 12.191 1.00 0.00 C ATOM 793 CG1 VAL A 53 20.784 13.081 11.753 1.00 0.00 C ATOM 794 CG2 VAL A 53 19.616 10.916 12.194 1.00 0.00 C ATOM 0 H VAL A 53 19.542 11.587 14.865 1.00 0.00 H new ATOM 0 HA VAL A 53 19.087 14.135 13.444 1.00 0.00 H new ATOM 0 HB VAL A 53 18.666 12.671 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.112 12.631 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 53 20.643 14.153 11.611 1.00 0.00 H new ATOM 0 HG13 VAL A 53 21.540 12.913 12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.971 10.585 11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.335 10.625 12.960 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.653 10.452 12.406 1.00 0.00 H new ATOM 804 N GLY A 54 17.042 12.517 14.995 1.00 0.00 N ATOM 805 CA GLY A 54 15.642 12.423 15.392 1.00 0.00 C ATOM 806 C GLY A 54 14.900 11.201 14.831 1.00 0.00 C ATOM 807 O GLY A 54 13.712 11.311 14.523 1.00 0.00 O ATOM 0 H GLY A 54 17.692 12.308 15.753 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.587 12.397 16.480 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.125 13.326 15.068 1.00 0.00 H new ATOM 811 N ILE A 55 15.566 10.045 14.701 1.00 0.00 N ATOM 812 CA ILE A 55 14.965 8.759 14.351 1.00 0.00 C ATOM 813 C ILE A 55 15.302 7.777 15.487 1.00 0.00 C ATOM 814 O ILE A 55 16.301 7.946 16.187 1.00 0.00 O ATOM 815 CB ILE A 55 15.385 8.279 12.935 1.00 0.00 C ATOM 816 CG1 ILE A 55 15.011 9.382 11.918 1.00 0.00 C ATOM 817 CG2 ILE A 55 14.723 6.925 12.577 1.00 0.00 C ATOM 818 CD1 ILE A 55 15.121 8.925 10.474 1.00 0.00 C ATOM 0 H ILE A 55 16.574 9.982 14.843 1.00 0.00 H new ATOM 0 HA ILE A 55 13.881 8.840 14.272 1.00 0.00 H new ATOM 0 HB ILE A 55 16.461 8.109 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.991 9.714 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.661 10.244 12.070 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.038 6.618 11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.026 6.169 13.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.639 7.034 12.597 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.845 9.745 9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.146 8.619 10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.450 8.082 10.307 1.00 0.00 H new ATOM 830 N ASP A 56 14.497 6.727 15.649 1.00 0.00 N ATOM 831 CA ASP A 56 14.757 5.610 16.557 1.00 0.00 C ATOM 832 C ASP A 56 14.541 4.306 15.794 1.00 0.00 C ATOM 833 O ASP A 56 13.614 4.203 14.984 1.00 0.00 O ATOM 834 CB ASP A 56 13.835 5.664 17.782 1.00 0.00 C ATOM 835 CG ASP A 56 13.805 4.302 18.500 1.00 0.00 C ATOM 836 OD1 ASP A 56 14.889 3.764 18.837 1.00 0.00 O ATOM 837 OD2 ASP A 56 12.707 3.722 18.659 1.00 0.00 O ATOM 0 H ASP A 56 13.620 6.627 15.137 1.00 0.00 H new ATOM 0 HA ASP A 56 15.784 5.672 16.917 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.180 6.436 18.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.827 5.940 17.473 1.00 0.00 H new ATOM 842 N ILE A 57 15.406 3.325 16.059 1.00 0.00 N ATOM 843 CA ILE A 57 15.454 2.030 15.385 1.00 0.00 C ATOM 844 C ILE A 57 15.582 0.878 16.402 1.00 0.00 C ATOM 845 O ILE A 57 15.935 -0.238 16.027 1.00 0.00 O ATOM 846 CB ILE A 57 16.544 2.072 14.285 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.977 2.254 14.829 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.239 3.189 13.262 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.069 2.295 13.754 1.00 0.00 C ATOM 0 H ILE A 57 16.122 3.417 16.780 1.00 0.00 H new ATOM 0 HA ILE A 57 14.514 1.822 14.873 1.00 0.00 H new ATOM 0 HB ILE A 57 16.511 1.094 13.804 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.018 3.179 15.405 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.196 1.439 15.519 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.015 3.204 12.497 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.272 3.000 12.795 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.214 4.152 13.772 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.042 2.425 14.228 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.062 1.361 13.192 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.881 3.128 13.076 1.00 0.00 H new ATOM 861 N SER A 58 15.280 1.125 17.683 1.00 0.00 N ATOM 862 CA SER A 58 15.189 0.101 18.729 1.00 0.00 C ATOM 863 C SER A 58 13.870 -0.679 18.679 1.00 0.00 C ATOM 864 O SER A 58 13.836 -1.852 19.053 1.00 0.00 O ATOM 865 CB SER A 58 15.359 0.703 20.135 1.00 0.00 C ATOM 866 OG SER A 58 14.473 1.768 20.418 1.00 0.00 O ATOM 0 H SER A 58 15.088 2.065 18.028 1.00 0.00 H new ATOM 0 HA SER A 58 16.008 -0.590 18.529 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.213 -0.083 20.875 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.384 1.058 20.245 1.00 0.00 H new ATOM 0 HG SER A 58 14.851 2.607 20.081 1.00 0.00 H new ATOM 872 N GLY A 59 12.792 -0.052 18.191 1.00 0.00 N ATOM 873 CA GLY A 59 11.505 -0.714 17.992 1.00 0.00 C ATOM 874 C GLY A 59 11.535 -1.699 16.819 1.00 0.00 C ATOM 875 O GLY A 59 10.567 -2.432 16.607 1.00 0.00 O ATOM 0 H GLY A 59 12.792 0.932 17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.227 -1.245 18.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.736 0.037 17.813 1.00 0.00 H new ATOM 879 N GLN A 60 12.626 -1.709 16.046 1.00 0.00 N ATOM 880 CA GLN A 60 12.858 -2.647 14.968 1.00 0.00 C ATOM 881 C GLN A 60 13.486 -3.900 15.552 1.00 0.00 C ATOM 882 O GLN A 60 14.327 -3.812 16.442 1.00 0.00 O ATOM 883 CB GLN A 60 13.830 -2.046 13.945 1.00 0.00 C ATOM 884 CG GLN A 60 13.238 -0.790 13.303 1.00 0.00 C ATOM 885 CD GLN A 60 14.134 -0.160 12.236 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.287 1.052 12.208 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.737 -0.917 11.339 1.00 0.00 N ATOM 0 H GLN A 60 13.388 -1.041 16.165 1.00 0.00 H new ATOM 0 HA GLN A 60 11.913 -2.876 14.475 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.773 -1.800 14.434 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.054 -2.783 13.174 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.277 -1.041 12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.043 -0.053 14.082 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.612 -1.929 11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.328 -0.490 10.626 1.00 0.00 H new ATOM 896 N THR A 61 13.166 -5.043 14.969 1.00 0.00 N ATOM 897 CA THR A 61 13.812 -6.312 15.234 1.00 0.00 C ATOM 898 C THR A 61 13.891 -7.071 13.905 1.00 0.00 C ATOM 899 O THR A 61 13.083 -6.835 12.998 1.00 0.00 O ATOM 900 CB THR A 61 13.062 -7.107 16.333 1.00 0.00 C ATOM 901 OG1 THR A 61 11.646 -6.984 16.222 1.00 0.00 O ATOM 902 CG2 THR A 61 13.442 -6.629 17.741 1.00 0.00 C ATOM 0 H THR A 61 12.423 -5.112 14.274 1.00 0.00 H new ATOM 0 HA THR A 61 14.818 -6.161 15.625 1.00 0.00 H new ATOM 0 HB THR A 61 13.360 -8.145 16.184 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.216 -7.503 16.934 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.895 -7.211 18.483 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.513 -6.762 17.894 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.188 -5.574 17.848 1.00 0.00 H new ATOM 910 N SER A 62 14.866 -7.974 13.796 1.00 0.00 N ATOM 911 CA SER A 62 15.232 -8.630 12.545 1.00 0.00 C ATOM 912 C SER A 62 15.822 -10.009 12.873 1.00 0.00 C ATOM 913 O SER A 62 16.175 -10.287 14.024 1.00 0.00 O ATOM 914 CB SER A 62 16.239 -7.759 11.767 1.00 0.00 C ATOM 915 OG SER A 62 16.092 -6.366 12.007 1.00 0.00 O ATOM 0 H SER A 62 15.432 -8.274 14.590 1.00 0.00 H new ATOM 0 HA SER A 62 14.354 -8.760 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.251 -8.061 12.036 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.123 -7.949 10.700 1.00 0.00 H new ATOM 0 HG SER A 62 15.923 -5.904 11.159 1.00 0.00 H new ATOM 921 N ASP A 63 15.947 -10.864 11.859 1.00 0.00 N ATOM 922 CA ASP A 63 16.315 -12.283 11.961 1.00 0.00 C ATOM 923 C ASP A 63 17.107 -12.630 10.684 1.00 0.00 C ATOM 924 O ASP A 63 17.064 -11.819 9.754 1.00 0.00 O ATOM 925 CB ASP A 63 14.995 -13.070 12.105 1.00 0.00 C ATOM 926 CG ASP A 63 15.132 -14.393 12.879 1.00 0.00 C ATOM 927 OD1 ASP A 63 15.696 -14.363 13.999 1.00 0.00 O ATOM 928 OD2 ASP A 63 14.639 -15.443 12.403 1.00 0.00 O ATOM 0 H ASP A 63 15.787 -10.575 10.894 1.00 0.00 H new ATOM 0 HA ASP A 63 16.945 -12.528 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.263 -12.440 12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.601 -13.282 11.111 1.00 0.00 H new ATOM 933 N PRO A 64 17.886 -13.724 10.577 1.00 0.00 N ATOM 934 CA PRO A 64 18.777 -13.912 9.427 1.00 0.00 C ATOM 935 C PRO A 64 18.017 -14.240 8.136 1.00 0.00 C ATOM 936 O PRO A 64 16.883 -14.722 8.164 1.00 0.00 O ATOM 937 CB PRO A 64 19.755 -15.021 9.836 1.00 0.00 C ATOM 938 CG PRO A 64 18.980 -15.824 10.871 1.00 0.00 C ATOM 939 CD PRO A 64 18.127 -14.764 11.568 1.00 0.00 C ATOM 0 HA PRO A 64 19.308 -12.990 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.041 -15.637 8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.674 -14.610 10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 18.365 -16.594 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 64 19.646 -16.329 11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 64 17.188 -15.190 11.922 1.00 0.00 H new ATOM 0 HD3 PRO A 64 18.642 -14.360 12.439 1.00 0.00 H new ATOM 947 N ILE A 65 18.679 -14.023 6.994 1.00 0.00 N ATOM 948 CA ILE A 65 18.105 -14.177 5.653 1.00 0.00 C ATOM 949 C ILE A 65 17.552 -15.585 5.426 1.00 0.00 C ATOM 950 O ILE A 65 16.553 -15.757 4.735 1.00 0.00 O ATOM 951 CB ILE A 65 19.172 -13.789 4.595 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.537 -13.655 3.191 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.377 -14.756 4.593 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.518 -13.304 2.067 1.00 0.00 C ATOM 0 H ILE A 65 19.655 -13.727 6.977 1.00 0.00 H new ATOM 0 HA ILE A 65 17.253 -13.505 5.553 1.00 0.00 H new ATOM 0 HB ILE A 65 19.566 -12.812 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.043 -14.594 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.763 -12.888 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.095 -14.441 3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.855 -14.744 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.033 -15.766 4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.979 -13.232 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.995 -12.349 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.279 -14.081 1.992 1.00 0.00 H new ATOM 966 N GLU A 66 18.181 -16.587 6.038 1.00 0.00 N ATOM 967 CA GLU A 66 17.865 -17.989 5.818 1.00 0.00 C ATOM 968 C GLU A 66 16.488 -18.366 6.378 1.00 0.00 C ATOM 969 O GLU A 66 15.884 -19.332 5.905 1.00 0.00 O ATOM 970 CB GLU A 66 18.982 -18.830 6.457 1.00 0.00 C ATOM 971 CG GLU A 66 20.247 -18.914 5.592 1.00 0.00 C ATOM 972 CD GLU A 66 20.042 -19.786 4.337 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.170 -21.033 4.434 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.766 -19.236 3.243 1.00 0.00 O ATOM 0 H GLU A 66 18.935 -16.441 6.710 1.00 0.00 H new ATOM 0 HA GLU A 66 17.812 -18.186 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 66 19.240 -18.403 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.609 -19.837 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.545 -17.910 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.064 -19.323 6.186 1.00 0.00 H new ATOM 981 N ASN A 67 15.967 -17.602 7.349 1.00 0.00 N ATOM 982 CA ASN A 67 14.603 -17.764 7.829 1.00 0.00 C ATOM 983 C ASN A 67 13.572 -17.132 6.875 1.00 0.00 C ATOM 984 O ASN A 67 12.378 -17.407 7.023 1.00 0.00 O ATOM 985 CB ASN A 67 14.444 -17.251 9.274 1.00 0.00 C ATOM 986 CG ASN A 67 13.615 -15.973 9.378 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.434 -15.991 9.722 1.00 0.00 O ATOM 988 ND2 ASN A 67 14.215 -14.851 9.048 1.00 0.00 N ATOM 0 H ASN A 67 16.485 -16.858 7.817 1.00 0.00 H new ATOM 0 HA ASN A 67 14.396 -18.834 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.976 -18.028 9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.432 -17.070 9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.700 -13.971 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.195 -14.861 8.766 1.00 0.00 H new ATOM 995 N PHE A 68 14.000 -16.303 5.912 1.00 0.00 N ATOM 996 CA PHE A 68 13.124 -15.485 5.085 1.00 0.00 C ATOM 997 C PHE A 68 13.092 -15.961 3.627 1.00 0.00 C ATOM 998 O PHE A 68 13.820 -16.865 3.214 1.00 0.00 O ATOM 999 CB PHE A 68 13.513 -13.994 5.205 1.00 0.00 C ATOM 1000 CG PHE A 68 13.237 -13.343 6.552 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.987 -13.490 7.188 1.00 0.00 C ATOM 1002 CD2 PHE A 68 14.228 -12.557 7.169 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.724 -12.839 8.406 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.963 -11.897 8.384 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.706 -12.030 8.999 1.00 0.00 C ATOM 0 H PHE A 68 14.988 -16.186 5.688 1.00 0.00 H new ATOM 0 HA PHE A 68 12.106 -15.598 5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.577 -13.897 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.978 -13.436 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.225 -14.108 6.736 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.199 -12.459 6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.765 -12.962 8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.727 -11.288 8.844 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.497 -11.512 9.923 1.00 0.00 H new ATOM 1015 N ASN A 69 12.188 -15.346 2.858 1.00 0.00 N ATOM 1016 CA ASN A 69 11.821 -15.697 1.491 1.00 0.00 C ATOM 1017 C ASN A 69 11.358 -14.420 0.812 1.00 0.00 C ATOM 1018 O ASN A 69 10.240 -13.978 1.051 1.00 0.00 O ATOM 1019 CB ASN A 69 10.740 -16.807 1.456 1.00 0.00 C ATOM 1020 CG ASN A 69 9.723 -16.795 2.602 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.573 -17.784 3.315 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.030 -15.693 2.840 1.00 0.00 N ATOM 0 H ASN A 69 11.663 -14.541 3.199 1.00 0.00 H new ATOM 0 HA ASN A 69 12.676 -16.113 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.197 -16.727 0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.242 -17.775 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.370 -15.664 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.156 -14.873 2.247 1.00 0.00 H new ATOM 1029 N ALA A 70 12.199 -13.824 -0.038 1.00 0.00 N ATOM 1030 CA ALA A 70 11.868 -12.620 -0.798 1.00 0.00 C ATOM 1031 C ALA A 70 10.597 -12.769 -1.625 1.00 0.00 C ATOM 1032 O ALA A 70 9.951 -11.776 -1.916 1.00 0.00 O ATOM 1033 CB ALA A 70 13.026 -12.293 -1.729 1.00 0.00 C ATOM 0 H ALA A 70 13.141 -14.171 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 70 11.694 -11.820 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.790 -11.396 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.928 -12.122 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.190 -13.127 -2.412 1.00 0.00 H new ATOM 1039 N ASP A 71 10.224 -13.994 -1.980 1.00 0.00 N ATOM 1040 CA ASP A 71 8.952 -14.306 -2.638 1.00 0.00 C ATOM 1041 C ASP A 71 7.762 -13.690 -1.888 1.00 0.00 C ATOM 1042 O ASP A 71 6.780 -13.284 -2.512 1.00 0.00 O ATOM 1043 CB ASP A 71 8.755 -15.823 -2.723 1.00 0.00 C ATOM 1044 CG ASP A 71 7.394 -16.168 -3.350 1.00 0.00 C ATOM 1045 OD1 ASP A 71 7.231 -15.989 -4.580 1.00 0.00 O ATOM 1046 OD2 ASP A 71 6.501 -16.660 -2.619 1.00 0.00 O ATOM 0 H ASP A 71 10.805 -14.816 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 71 8.993 -13.879 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.555 -16.264 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.821 -16.258 -1.726 1.00 0.00 H new ATOM 1051 N ASP A 72 7.866 -13.585 -0.558 1.00 0.00 N ATOM 1052 CA ASP A 72 6.829 -12.982 0.285 1.00 0.00 C ATOM 1053 C ASP A 72 6.976 -11.454 0.412 1.00 0.00 C ATOM 1054 O ASP A 72 6.332 -10.839 1.259 1.00 0.00 O ATOM 1055 CB ASP A 72 6.816 -13.659 1.660 1.00 0.00 C ATOM 1056 CG ASP A 72 5.573 -13.284 2.488 1.00 0.00 C ATOM 1057 OD1 ASP A 72 4.431 -13.466 1.999 1.00 0.00 O ATOM 1058 OD2 ASP A 72 5.732 -12.845 3.653 1.00 0.00 O ATOM 0 H ASP A 72 8.676 -13.918 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 72 5.869 -13.150 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.849 -14.741 1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.714 -13.376 2.210 1.00 0.00 H new ATOM 1063 N TYR A 73 7.820 -10.821 -0.405 1.00 0.00 N ATOM 1064 CA TYR A 73 8.078 -9.391 -0.462 1.00 0.00 C ATOM 1065 C TYR A 73 8.115 -8.958 -1.940 1.00 0.00 C ATOM 1066 O TYR A 73 7.941 -9.793 -2.838 1.00 0.00 O ATOM 1067 CB TYR A 73 9.381 -9.010 0.287 1.00 0.00 C ATOM 1068 CG TYR A 73 9.507 -9.539 1.709 1.00 0.00 C ATOM 1069 CD1 TYR A 73 9.768 -10.905 1.920 1.00 0.00 C ATOM 1070 CD2 TYR A 73 9.372 -8.686 2.822 1.00 0.00 C ATOM 1071 CE1 TYR A 73 9.835 -11.442 3.214 1.00 0.00 C ATOM 1072 CE2 TYR A 73 9.418 -9.214 4.126 1.00 0.00 C ATOM 1073 CZ TYR A 73 9.643 -10.595 4.332 1.00 0.00 C ATOM 1074 OH TYR A 73 9.683 -11.082 5.605 1.00 0.00 O ATOM 0 H TYR A 73 8.377 -11.334 -1.089 1.00 0.00 H new ATOM 0 HA TYR A 73 7.276 -8.858 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.230 -9.373 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.456 -7.923 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.920 -11.553 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.233 -7.625 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.032 -12.494 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.281 -8.560 4.975 1.00 0.00 H new ATOM 0 HH TYR A 73 9.531 -10.351 6.240 1.00 0.00 H new ATOM 1084 N ASP A 74 8.295 -7.656 -2.206 1.00 0.00 N ATOM 1085 CA ASP A 74 8.311 -7.136 -3.575 1.00 0.00 C ATOM 1086 C ASP A 74 9.619 -6.441 -3.944 1.00 0.00 C ATOM 1087 O ASP A 74 9.894 -6.297 -5.128 1.00 0.00 O ATOM 1088 CB ASP A 74 7.177 -6.121 -3.767 1.00 0.00 C ATOM 1089 CG ASP A 74 5.796 -6.675 -3.407 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.411 -6.540 -2.220 1.00 0.00 O ATOM 1091 OD2 ASP A 74 5.100 -7.216 -4.301 1.00 0.00 O ATOM 0 H ASP A 74 8.432 -6.945 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 74 8.189 -8.005 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.379 -5.242 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.168 -5.790 -4.806 1.00 0.00 H new ATOM 1096 N VAL A 75 10.421 -5.964 -2.994 1.00 0.00 N ATOM 1097 CA VAL A 75 11.587 -5.116 -3.258 1.00 0.00 C ATOM 1098 C VAL A 75 12.656 -5.565 -2.258 1.00 0.00 C ATOM 1099 O VAL A 75 12.381 -5.629 -1.060 1.00 0.00 O ATOM 1100 CB VAL A 75 11.129 -3.648 -3.129 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.182 -2.538 -2.954 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.153 -3.199 -4.227 1.00 0.00 C ATOM 0 H VAL A 75 10.279 -6.158 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 75 12.016 -5.203 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 75 10.640 -3.736 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.683 -1.572 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.756 -2.721 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.854 -2.535 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.879 -2.156 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.629 -3.302 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.257 -3.819 -4.193 1.00 0.00 H new ATOM 1112 N VAL A 76 13.877 -5.877 -2.693 1.00 0.00 N ATOM 1113 CA VAL A 76 14.922 -6.322 -1.788 1.00 0.00 C ATOM 1114 C VAL A 76 16.174 -5.530 -2.086 1.00 0.00 C ATOM 1115 O VAL A 76 16.604 -5.415 -3.236 1.00 0.00 O ATOM 1116 CB VAL A 76 15.134 -7.842 -1.862 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.871 -8.608 -1.450 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.617 -8.350 -3.222 1.00 0.00 C ATOM 0 H VAL A 76 14.162 -5.828 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 76 14.628 -6.133 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 76 15.937 -8.038 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.058 -9.680 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.605 -8.347 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.051 -8.342 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.740 -9.432 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.884 -8.095 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.572 -7.885 -3.466 1.00 0.00 H new ATOM 1128 N ILE A 77 16.744 -4.981 -1.025 1.00 0.00 N ATOM 1129 CA ILE A 77 17.984 -4.250 -1.051 1.00 0.00 C ATOM 1130 C ILE A 77 18.915 -5.045 -0.167 1.00 0.00 C ATOM 1131 O ILE A 77 18.553 -5.429 0.945 1.00 0.00 O ATOM 1132 CB ILE A 77 17.779 -2.832 -0.502 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.714 -2.019 -1.264 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.116 -2.080 -0.495 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.884 -1.956 -2.789 1.00 0.00 C ATOM 0 H ILE A 77 16.335 -5.039 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 77 18.381 -4.135 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 77 17.402 -2.944 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.734 -2.443 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.715 -1.001 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.965 -1.074 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.829 -2.611 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.505 -2.020 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.080 -1.359 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.844 -1.499 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.848 -2.964 -3.201 1.00 0.00 H new ATOM 1147 N SER A 78 20.131 -5.255 -0.630 1.00 0.00 N ATOM 1148 CA SER A 78 21.157 -5.908 0.140 1.00 0.00 C ATOM 1149 C SER A 78 22.267 -4.893 0.399 1.00 0.00 C ATOM 1150 O SER A 78 22.388 -3.873 -0.275 1.00 0.00 O ATOM 1151 CB SER A 78 21.504 -7.208 -0.600 1.00 0.00 C ATOM 1152 OG SER A 78 22.709 -7.786 -0.152 1.00 0.00 O ATOM 0 H SER A 78 20.432 -4.972 -1.562 1.00 0.00 H new ATOM 0 HA SER A 78 20.873 -6.230 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.692 -7.923 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.579 -7.004 -1.668 1.00 0.00 H new ATOM 0 HG SER A 78 23.420 -7.604 -0.801 1.00 0.00 H new ATOM 1158 N LEU A 79 23.046 -5.117 1.445 1.00 0.00 N ATOM 1159 CA LEU A 79 24.227 -4.332 1.767 1.00 0.00 C ATOM 1160 C LEU A 79 25.326 -5.340 2.102 1.00 0.00 C ATOM 1161 O LEU A 79 26.138 -5.142 3.004 1.00 0.00 O ATOM 1162 CB LEU A 79 23.911 -3.307 2.881 1.00 0.00 C ATOM 1163 CG LEU A 79 23.128 -2.068 2.376 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.599 -2.192 2.478 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.535 -0.812 3.157 1.00 0.00 C ATOM 0 H LEU A 79 22.870 -5.869 2.111 1.00 0.00 H new ATOM 0 HA LEU A 79 24.570 -3.713 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.332 -3.799 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.845 -2.976 3.335 1.00 0.00 H new ATOM 0 HG LEU A 79 23.390 -1.996 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.134 -1.280 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.262 -3.042 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.315 -2.342 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.973 0.045 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.320 -0.956 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.602 -0.631 3.025 1.00 0.00 H new ATOM 1177 N CYS A 80 25.318 -6.463 1.379 1.00 0.00 N ATOM 1178 CA CYS A 80 26.211 -7.595 1.571 1.00 0.00 C ATOM 1179 C CYS A 80 27.394 -7.502 0.598 1.00 0.00 C ATOM 1180 O CYS A 80 28.092 -8.490 0.375 1.00 0.00 O ATOM 1181 CB CYS A 80 25.417 -8.907 1.401 1.00 0.00 C ATOM 1182 SG CYS A 80 23.994 -8.947 2.530 1.00 0.00 S ATOM 0 H CYS A 80 24.660 -6.608 0.614 1.00 0.00 H new ATOM 0 HA CYS A 80 26.623 -7.582 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 80 25.073 -8.999 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 80 26.067 -9.760 1.597 1.00 0.00 H new ATOM 0 HG CYS A 80 22.939 -8.504 1.914 1.00 0.00 H new ATOM 1188 N GLY A 81 27.598 -6.339 -0.032 1.00 0.00 N ATOM 1189 CA GLY A 81 28.684 -6.147 -0.979 1.00 0.00 C ATOM 1190 C GLY A 81 28.383 -6.760 -2.342 1.00 0.00 C ATOM 1191 O GLY A 81 29.303 -6.940 -3.139 1.00 0.00 O ATOM 0 H GLY A 81 27.014 -5.514 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.874 -5.080 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.595 -6.591 -0.577 1.00 0.00 H new ATOM 1195 N CYS A 82 27.114 -7.090 -2.606 1.00 0.00 N ATOM 1196 CA CYS A 82 26.572 -7.722 -3.816 1.00 0.00 C ATOM 1197 C CYS A 82 27.140 -9.120 -4.152 1.00 0.00 C ATOM 1198 O CYS A 82 26.489 -9.882 -4.867 1.00 0.00 O ATOM 1199 CB CYS A 82 26.698 -6.731 -4.985 1.00 0.00 C ATOM 1200 SG CYS A 82 25.471 -7.063 -6.279 1.00 0.00 S ATOM 0 H CYS A 82 26.378 -6.907 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 82 25.523 -7.941 -3.619 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.571 -5.714 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.700 -6.793 -5.409 1.00 0.00 H new ATOM 0 HG CYS A 82 25.613 -6.202 -7.243 1.00 0.00 H new ATOM 1206 N GLY A 83 28.312 -9.498 -3.627 1.00 0.00 N ATOM 1207 CA GLY A 83 28.956 -10.783 -3.892 1.00 0.00 C ATOM 1208 C GLY A 83 28.193 -11.963 -3.293 1.00 0.00 C ATOM 1209 O GLY A 83 28.282 -13.079 -3.808 1.00 0.00 O ATOM 0 H GLY A 83 28.847 -8.904 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.046 -10.924 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 83 29.968 -10.767 -3.487 1.00 0.00 H new ATOM 1213 N VAL A 84 27.438 -11.721 -2.216 1.00 0.00 N ATOM 1214 CA VAL A 84 26.561 -12.710 -1.608 1.00 0.00 C ATOM 1215 C VAL A 84 25.486 -13.082 -2.629 1.00 0.00 C ATOM 1216 O VAL A 84 24.681 -12.249 -3.050 1.00 0.00 O ATOM 1217 CB VAL A 84 26.000 -12.207 -0.265 1.00 0.00 C ATOM 1218 CG1 VAL A 84 25.073 -13.250 0.369 1.00 0.00 C ATOM 1219 CG2 VAL A 84 27.171 -11.923 0.691 1.00 0.00 C ATOM 0 H VAL A 84 27.423 -10.819 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 84 27.113 -13.615 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 84 25.425 -11.299 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 84 24.691 -12.869 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.239 -13.453 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.629 -14.171 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 84 26.783 -11.566 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 84 27.741 -12.838 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 84 27.820 -11.163 0.256 1.00 0.00 H new ATOM 1229 N ASN A 85 25.502 -14.352 -3.026 1.00 0.00 N ATOM 1230 CA ASN A 85 24.477 -14.957 -3.856 1.00 0.00 C ATOM 1231 C ASN A 85 23.186 -14.984 -3.039 1.00 0.00 C ATOM 1232 O ASN A 85 23.212 -15.341 -1.857 1.00 0.00 O ATOM 1233 CB ASN A 85 24.921 -16.376 -4.256 1.00 0.00 C ATOM 1234 CG ASN A 85 23.737 -17.278 -4.596 1.00 0.00 C ATOM 1235 OD1 ASN A 85 23.253 -17.294 -5.723 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.251 -18.030 -3.619 1.00 0.00 N ATOM 0 H ASN A 85 26.248 -15.000 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 85 24.315 -14.391 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 85 25.589 -16.317 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 85 25.491 -16.820 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.454 -18.642 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.674 -17.996 -2.691 1.00 0.00 H new ATOM 1243 N LEU A 86 22.064 -14.661 -3.681 1.00 0.00 N ATOM 1244 CA LEU A 86 20.732 -14.672 -3.078 1.00 0.00 C ATOM 1245 C LEU A 86 19.866 -15.653 -3.895 1.00 0.00 C ATOM 1246 O LEU A 86 20.017 -15.685 -5.122 1.00 0.00 O ATOM 1247 CB LEU A 86 20.109 -13.257 -3.072 1.00 0.00 C ATOM 1248 CG LEU A 86 20.974 -12.102 -2.513 1.00 0.00 C ATOM 1249 CD1 LEU A 86 20.199 -10.781 -2.623 1.00 0.00 C ATOM 1250 CD2 LEU A 86 21.399 -12.278 -1.050 1.00 0.00 C ATOM 0 H LEU A 86 22.056 -14.377 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 86 20.791 -14.990 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.833 -13.006 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.186 -13.297 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 86 21.883 -12.101 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.809 -9.968 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.963 -10.584 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.275 -10.852 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.001 -11.424 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.513 -12.344 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.986 -13.191 -0.949 1.00 0.00 H new ATOM 1262 N PRO A 87 18.984 -16.455 -3.263 1.00 0.00 N ATOM 1263 CA PRO A 87 18.068 -17.364 -3.960 1.00 0.00 C ATOM 1264 C PRO A 87 17.235 -16.666 -5.049 1.00 0.00 C ATOM 1265 O PRO A 87 16.999 -15.463 -4.949 1.00 0.00 O ATOM 1266 CB PRO A 87 17.149 -17.936 -2.880 1.00 0.00 C ATOM 1267 CG PRO A 87 17.939 -17.799 -1.583 1.00 0.00 C ATOM 1268 CD PRO A 87 18.851 -16.597 -1.819 1.00 0.00 C ATOM 0 HA PRO A 87 18.638 -18.133 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.208 -17.387 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.900 -18.978 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.279 -17.636 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.515 -18.700 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.426 -15.695 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.824 -16.751 -1.353 1.00 0.00 H new ATOM 1276 N PRO A 88 16.705 -17.385 -6.052 1.00 0.00 N ATOM 1277 CA PRO A 88 16.100 -16.752 -7.217 1.00 0.00 C ATOM 1278 C PRO A 88 14.850 -15.904 -6.927 1.00 0.00 C ATOM 1279 O PRO A 88 14.547 -14.989 -7.692 1.00 0.00 O ATOM 1280 CB PRO A 88 15.826 -17.881 -8.219 1.00 0.00 C ATOM 1281 CG PRO A 88 15.782 -19.139 -7.351 1.00 0.00 C ATOM 1282 CD PRO A 88 16.769 -18.826 -6.228 1.00 0.00 C ATOM 0 HA PRO A 88 16.791 -16.010 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.885 -17.727 -8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.609 -17.944 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.780 -19.327 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.079 -20.025 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 88 16.498 -19.347 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.777 -19.146 -6.490 1.00 0.00 H new ATOM 1290 N GLU A 89 14.132 -16.122 -5.825 1.00 0.00 N ATOM 1291 CA GLU A 89 12.991 -15.283 -5.476 1.00 0.00 C ATOM 1292 C GLU A 89 13.419 -13.848 -5.155 1.00 0.00 C ATOM 1293 O GLU A 89 12.634 -12.912 -5.288 1.00 0.00 O ATOM 1294 CB GLU A 89 12.185 -15.879 -4.319 1.00 0.00 C ATOM 1295 CG GLU A 89 12.967 -16.266 -3.054 1.00 0.00 C ATOM 1296 CD GLU A 89 13.325 -17.764 -3.024 1.00 0.00 C ATOM 1297 OE1 GLU A 89 14.036 -18.237 -3.940 1.00 0.00 O ATOM 1298 OE2 GLU A 89 12.904 -18.463 -2.070 1.00 0.00 O ATOM 0 H GLU A 89 14.322 -16.872 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 89 12.345 -15.250 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.416 -15.160 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.671 -16.768 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.881 -15.675 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.375 -16.018 -2.173 1.00 0.00 H new ATOM 1305 N TRP A 90 14.677 -13.663 -4.751 1.00 0.00 N ATOM 1306 CA TRP A 90 15.263 -12.363 -4.494 1.00 0.00 C ATOM 1307 C TRP A 90 15.478 -11.553 -5.777 1.00 0.00 C ATOM 1308 O TRP A 90 15.778 -10.371 -5.653 1.00 0.00 O ATOM 1309 CB TRP A 90 16.566 -12.515 -3.691 1.00 0.00 C ATOM 1310 CG TRP A 90 16.402 -13.032 -2.287 1.00 0.00 C ATOM 1311 CD1 TRP A 90 16.192 -14.319 -1.931 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.389 -12.286 -1.030 1.00 0.00 C ATOM 1313 NE1 TRP A 90 16.021 -14.415 -0.564 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.066 -13.177 0.031 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.534 -10.927 -0.693 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.849 -12.741 1.344 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 16.318 -10.467 0.621 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.976 -11.375 1.643 1.00 0.00 C ATOM 0 H TRP A 90 15.324 -14.435 -4.592 1.00 0.00 H new ATOM 0 HA TRP A 90 14.553 -11.794 -3.894 1.00 0.00 H new ATOM 0 HB2 TRP A 90 17.230 -13.188 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 90 17.061 -11.545 -3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 90 16.162 -15.153 -2.617 1.00 0.00 H new ATOM 0 HE1 TRP A 90 15.880 -15.291 -0.061 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.817 -10.221 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.587 -13.447 2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 16.415 -9.415 0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 90 15.813 -11.022 2.651 1.00 0.00 H new ATOM 1329 N VAL A 91 15.289 -12.102 -6.988 1.00 0.00 N ATOM 1330 CA VAL A 91 15.503 -11.369 -8.231 1.00 0.00 C ATOM 1331 C VAL A 91 14.221 -11.168 -9.051 1.00 0.00 C ATOM 1332 O VAL A 91 14.214 -10.340 -9.962 1.00 0.00 O ATOM 1333 CB VAL A 91 16.668 -11.966 -9.051 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.978 -11.944 -8.248 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.452 -13.391 -9.576 1.00 0.00 C ATOM 0 H VAL A 91 14.984 -13.066 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 91 15.806 -10.361 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 91 16.720 -11.317 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.781 -12.370 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.227 -10.916 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.856 -12.531 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.331 -13.709 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.292 -14.068 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.579 -13.410 -10.229 1.00 0.00 H new ATOM 1345 N THR A 92 13.125 -11.855 -8.723 1.00 0.00 N ATOM 1346 CA THR A 92 11.843 -11.728 -9.428 1.00 0.00 C ATOM 1347 C THR A 92 11.032 -10.506 -8.949 1.00 0.00 C ATOM 1348 O THR A 92 10.066 -10.082 -9.590 1.00 0.00 O ATOM 1349 CB THR A 92 11.080 -13.050 -9.250 1.00 0.00 C ATOM 1350 OG1 THR A 92 11.038 -13.402 -7.877 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.823 -14.160 -10.000 1.00 0.00 C ATOM 0 H THR A 92 13.100 -12.523 -7.953 1.00 0.00 H new ATOM 0 HA THR A 92 12.018 -11.547 -10.489 1.00 0.00 H new ATOM 0 HB THR A 92 10.068 -12.930 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.549 -14.245 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.288 -15.102 -9.879 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.880 -13.909 -11.059 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.831 -14.260 -9.596 1.00 0.00 H new ATOM 1359 N GLN A 93 11.464 -9.942 -7.823 1.00 0.00 N ATOM 1360 CA GLN A 93 11.095 -8.700 -7.183 1.00 0.00 C ATOM 1361 C GLN A 93 10.987 -7.522 -8.171 1.00 0.00 C ATOM 1362 O GLN A 93 11.659 -7.488 -9.206 1.00 0.00 O ATOM 1363 CB GLN A 93 12.222 -8.445 -6.168 1.00 0.00 C ATOM 1364 CG GLN A 93 12.496 -9.564 -5.156 1.00 0.00 C ATOM 1365 CD GLN A 93 11.294 -9.847 -4.278 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.940 -9.047 -3.421 1.00 0.00 O ATOM 1367 NE2 GLN A 93 10.666 -10.988 -4.464 1.00 0.00 N ATOM 0 H GLN A 93 12.178 -10.419 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 93 10.108 -8.776 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.142 -8.252 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.985 -7.536 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.777 -10.473 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.344 -9.286 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.985 -11.634 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.860 -11.227 -3.886 1.00 0.00 H new ATOM 1376 N GLU A 94 10.191 -6.515 -7.803 1.00 0.00 N ATOM 1377 CA GLU A 94 10.082 -5.220 -8.443 1.00 0.00 C ATOM 1378 C GLU A 94 11.437 -4.508 -8.350 1.00 0.00 C ATOM 1379 O GLU A 94 11.866 -3.886 -9.324 1.00 0.00 O ATOM 1380 CB GLU A 94 8.928 -4.444 -7.766 1.00 0.00 C ATOM 1381 CG GLU A 94 9.056 -2.929 -7.886 1.00 0.00 C ATOM 1382 CD GLU A 94 7.774 -2.161 -7.493 1.00 0.00 C ATOM 1383 OE1 GLU A 94 6.725 -2.342 -8.154 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.808 -1.327 -6.553 1.00 0.00 O ATOM 0 H GLU A 94 9.570 -6.597 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 94 9.842 -5.301 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.982 -4.756 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.890 -4.714 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.878 -2.592 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.319 -2.676 -8.913 1.00 0.00 H new ATOM 1391 N ILE A 95 12.135 -4.654 -7.216 1.00 0.00 N ATOM 1392 CA ILE A 95 13.512 -4.189 -7.062 1.00 0.00 C ATOM 1393 C ILE A 95 14.371 -5.302 -6.483 1.00 0.00 C ATOM 1394 O ILE A 95 13.982 -5.966 -5.525 1.00 0.00 O ATOM 1395 CB ILE A 95 13.623 -2.984 -6.103 1.00 0.00 C ATOM 1396 CG1 ILE A 95 12.968 -1.695 -6.608 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.080 -2.632 -5.733 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.549 -1.077 -7.884 1.00 0.00 C ATOM 0 H ILE A 95 11.756 -5.099 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 95 13.850 -3.890 -8.054 1.00 0.00 H new ATOM 0 HB ILE A 95 13.077 -3.339 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.911 -1.896 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.026 -0.951 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.087 -1.777 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.547 -3.486 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.635 -2.384 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.997 -0.171 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.598 -0.830 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.465 -1.790 -8.704 1.00 0.00 H new ATOM 1410 N PHE A 96 15.571 -5.431 -7.032 1.00 0.00 N ATOM 1411 CA PHE A 96 16.651 -6.211 -6.469 1.00 0.00 C ATOM 1412 C PHE A 96 17.815 -5.253 -6.650 1.00 0.00 C ATOM 1413 O PHE A 96 18.132 -4.864 -7.777 1.00 0.00 O ATOM 1414 CB PHE A 96 16.954 -7.548 -7.152 1.00 0.00 C ATOM 1415 CG PHE A 96 18.350 -8.066 -6.790 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.863 -7.933 -5.477 1.00 0.00 C ATOM 1417 CD2 PHE A 96 19.206 -8.540 -7.805 1.00 0.00 C ATOM 1418 CE1 PHE A 96 20.211 -8.220 -5.194 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.539 -8.880 -7.509 1.00 0.00 C ATOM 1420 CZ PHE A 96 21.047 -8.708 -6.211 1.00 0.00 C ATOM 0 H PHE A 96 15.822 -4.978 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 96 16.419 -6.528 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 96 16.205 -8.284 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.879 -7.430 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 96 18.210 -7.606 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.837 -8.643 -8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.601 -8.066 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.176 -9.276 -8.286 1.00 0.00 H new ATOM 0 HZ PHE A 96 22.077 -8.950 -5.996 1.00 0.00 H new ATOM 1430 N GLU A 97 18.407 -4.834 -5.544 1.00 0.00 N ATOM 1431 CA GLU A 97 19.578 -3.995 -5.561 1.00 0.00 C ATOM 1432 C GLU A 97 20.471 -4.415 -4.405 1.00 0.00 C ATOM 1433 O GLU A 97 20.053 -5.119 -3.481 1.00 0.00 O ATOM 1434 CB GLU A 97 19.160 -2.514 -5.459 1.00 0.00 C ATOM 1435 CG GLU A 97 19.566 -1.697 -6.689 1.00 0.00 C ATOM 1436 CD GLU A 97 21.090 -1.475 -6.780 1.00 0.00 C ATOM 1437 OE1 GLU A 97 21.836 -2.455 -7.019 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.531 -0.308 -6.653 1.00 0.00 O ATOM 0 H GLU A 97 18.081 -5.072 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 97 20.130 -4.108 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.079 -2.454 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.613 -2.074 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.223 -2.208 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.063 -0.730 -6.660 1.00 0.00 H new ATOM 1445 N ASP A 98 21.707 -3.953 -4.449 1.00 0.00 N ATOM 1446 CA ASP A 98 22.639 -4.050 -3.349 1.00 0.00 C ATOM 1447 C ASP A 98 23.417 -2.740 -3.356 1.00 0.00 C ATOM 1448 O ASP A 98 23.843 -2.280 -4.420 1.00 0.00 O ATOM 1449 CB ASP A 98 23.553 -5.279 -3.448 1.00 0.00 C ATOM 1450 CG ASP A 98 24.543 -5.366 -2.282 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.508 -4.578 -2.257 1.00 0.00 O ATOM 1452 OD2 ASP A 98 24.421 -6.268 -1.423 1.00 0.00 O ATOM 0 H ASP A 98 22.096 -3.490 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 98 22.114 -4.194 -2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.942 -6.182 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 98 24.105 -5.244 -4.387 1.00 0.00 H new ATOM 1457 N TRP A 99 23.560 -2.112 -2.187 1.00 0.00 N ATOM 1458 CA TRP A 99 24.138 -0.772 -2.059 1.00 0.00 C ATOM 1459 C TRP A 99 25.575 -0.782 -1.568 1.00 0.00 C ATOM 1460 O TRP A 99 26.187 0.275 -1.453 1.00 0.00 O ATOM 1461 CB TRP A 99 23.201 0.109 -1.212 1.00 0.00 C ATOM 1462 CG TRP A 99 21.853 0.338 -1.828 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.561 0.151 -3.137 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.608 0.790 -1.209 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.244 0.455 -3.376 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.601 0.822 -2.220 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.216 1.193 0.091 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.275 1.163 -1.951 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.885 1.584 0.360 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.914 1.534 -0.651 1.00 0.00 C ATOM 0 H TRP A 99 23.276 -2.521 -1.297 1.00 0.00 H new ATOM 0 HA TRP A 99 24.210 -0.330 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 99 23.068 -0.356 -0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.680 1.073 -1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.263 -0.188 -3.885 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.801 0.414 -4.294 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.945 1.202 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.535 1.141 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.614 1.923 1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.887 1.782 -0.426 1.00 0.00 H new ATOM 1481 N GLN A 100 26.105 -1.983 -1.374 1.00 0.00 N ATOM 1482 CA GLN A 100 27.355 -2.390 -0.732 1.00 0.00 C ATOM 1483 C GLN A 100 27.558 -1.686 0.629 1.00 0.00 C ATOM 1484 O GLN A 100 27.441 -2.320 1.678 1.00 0.00 O ATOM 1485 CB GLN A 100 28.569 -2.148 -1.658 1.00 0.00 C ATOM 1486 CG GLN A 100 28.594 -2.906 -2.995 1.00 0.00 C ATOM 1487 CD GLN A 100 27.655 -2.325 -4.052 1.00 0.00 C ATOM 1488 OE1 GLN A 100 27.929 -1.300 -4.671 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.537 -2.985 -4.284 1.00 0.00 N ATOM 0 H GLN A 100 25.602 -2.806 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 100 27.280 -3.461 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.622 -1.081 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 100 29.472 -2.407 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.612 -2.902 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.325 -3.947 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 100 26.328 -3.834 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.882 -2.646 -4.988 1.00 0.00 H new ATOM 1498 N LEU A 101 27.793 -0.373 0.562 1.00 0.00 N ATOM 1499 CA LEU A 101 28.137 0.637 1.563 1.00 0.00 C ATOM 1500 C LEU A 101 29.229 0.206 2.546 1.00 0.00 C ATOM 1501 O LEU A 101 29.923 -0.790 2.341 1.00 0.00 O ATOM 1502 CB LEU A 101 26.854 1.246 2.201 1.00 0.00 C ATOM 1503 CG LEU A 101 26.553 2.727 1.858 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.629 3.673 2.405 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.376 2.978 0.360 1.00 0.00 C ATOM 0 H LEU A 101 27.735 0.076 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 101 28.627 1.460 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.000 0.643 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.934 1.155 3.284 1.00 0.00 H new ATOM 0 HG LEU A 101 25.603 2.940 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.378 4.701 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.679 3.578 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.595 3.413 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.168 4.034 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.289 2.699 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.545 2.380 -0.013 1.00 0.00 H new ATOM 1517 N GLU A 102 29.447 1.053 3.555 1.00 0.00 N ATOM 1518 CA GLU A 102 30.558 0.979 4.491 1.00 0.00 C ATOM 1519 C GLU A 102 30.529 -0.269 5.365 1.00 0.00 C ATOM 1520 O GLU A 102 29.567 -1.034 5.369 1.00 0.00 O ATOM 1521 CB GLU A 102 30.591 2.279 5.321 1.00 0.00 C ATOM 1522 CG GLU A 102 31.664 3.216 4.763 1.00 0.00 C ATOM 1523 CD GLU A 102 33.099 2.666 4.902 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.369 1.864 5.830 1.00 0.00 O ATOM 1525 OE2 GLU A 102 33.964 3.040 4.073 1.00 0.00 O ATOM 0 H GLU A 102 28.826 1.839 3.745 1.00 0.00 H new ATOM 0 HA GLU A 102 31.483 0.888 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.617 2.767 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.801 2.050 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.457 3.405 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.600 4.175 5.277 1.00 0.00 H new ATOM 1532 N ASP A 103 31.583 -0.424 6.157 1.00 0.00 N ATOM 1533 CA ASP A 103 31.926 -1.623 6.926 1.00 0.00 C ATOM 1534 C ASP A 103 32.280 -1.231 8.368 1.00 0.00 C ATOM 1535 O ASP A 103 33.443 -1.296 8.770 1.00 0.00 O ATOM 1536 CB ASP A 103 33.061 -2.330 6.160 1.00 0.00 C ATOM 1537 CG ASP A 103 33.360 -3.742 6.679 1.00 0.00 C ATOM 1538 OD1 ASP A 103 32.526 -4.649 6.442 1.00 0.00 O ATOM 1539 OD2 ASP A 103 34.455 -3.978 7.245 1.00 0.00 O ATOM 0 H ASP A 103 32.263 0.325 6.290 1.00 0.00 H new ATOM 0 HA ASP A 103 31.094 -2.321 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.796 -2.388 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.966 -1.727 6.229 1.00 0.00 H new ATOM 1544 N PRO A 104 31.296 -0.728 9.150 1.00 0.00 N ATOM 1545 CA PRO A 104 31.516 -0.117 10.455 1.00 0.00 C ATOM 1546 C PRO A 104 31.711 -1.191 11.553 1.00 0.00 C ATOM 1547 O PRO A 104 30.903 -1.299 12.473 1.00 0.00 O ATOM 1548 CB PRO A 104 30.291 0.789 10.687 1.00 0.00 C ATOM 1549 CG PRO A 104 29.179 -0.015 10.021 1.00 0.00 C ATOM 1550 CD PRO A 104 29.887 -0.609 8.803 1.00 0.00 C ATOM 0 HA PRO A 104 32.433 0.470 10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 104 30.098 0.953 11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.416 1.771 10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.787 -0.789 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.338 0.616 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.468 -1.583 8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.757 0.031 7.930 1.00 0.00 H new ATOM 1558 N ASP A 105 32.751 -2.026 11.447 1.00 0.00 N ATOM 1559 CA ASP A 105 32.999 -3.154 12.367 1.00 0.00 C ATOM 1560 C ASP A 105 33.073 -2.712 13.829 1.00 0.00 C ATOM 1561 O ASP A 105 32.502 -3.338 14.725 1.00 0.00 O ATOM 1562 CB ASP A 105 34.337 -3.831 12.031 1.00 0.00 C ATOM 1563 CG ASP A 105 34.469 -5.136 12.826 1.00 0.00 C ATOM 1564 OD1 ASP A 105 33.727 -6.096 12.509 1.00 0.00 O ATOM 1565 OD2 ASP A 105 35.324 -5.213 13.742 1.00 0.00 O ATOM 0 H ASP A 105 33.455 -1.941 10.714 1.00 0.00 H new ATOM 0 HA ASP A 105 32.160 -3.838 12.239 1.00 0.00 H new ATOM 0 HB2 ASP A 105 34.393 -4.038 10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 105 35.164 -3.163 12.270 1.00 0.00 H new ATOM 1570 N GLY A 106 33.763 -1.595 14.025 1.00 0.00 N ATOM 1571 CA GLY A 106 34.035 -0.969 15.317 1.00 0.00 C ATOM 1572 C GLY A 106 34.491 0.473 15.106 1.00 0.00 C ATOM 1573 O GLY A 106 35.500 0.902 15.667 1.00 0.00 O ATOM 0 H GLY A 106 34.170 -1.073 13.249 1.00 0.00 H new ATOM 0 HA2 GLY A 106 33.139 -0.990 15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 106 34.804 -1.529 15.849 1.00 0.00 H new ATOM 1577 N GLN A 107 33.810 1.172 14.192 1.00 0.00 N ATOM 1578 CA GLN A 107 34.207 2.480 13.689 1.00 0.00 C ATOM 1579 C GLN A 107 34.087 3.605 14.713 1.00 0.00 C ATOM 1580 O GLN A 107 33.511 3.457 15.797 1.00 0.00 O ATOM 1581 CB GLN A 107 33.342 2.827 12.463 1.00 0.00 C ATOM 1582 CG GLN A 107 34.009 2.366 11.169 1.00 0.00 C ATOM 1583 CD GLN A 107 35.212 3.192 10.707 1.00 0.00 C ATOM 1584 OE1 GLN A 107 35.831 3.931 11.469 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.541 3.087 9.428 1.00 0.00 N ATOM 0 H GLN A 107 32.945 0.829 13.774 1.00 0.00 H new ATOM 0 HA GLN A 107 35.264 2.405 13.434 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.364 2.355 12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.175 3.903 12.426 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.330 1.332 11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.262 2.372 10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 107 35.012 2.467 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.323 3.626 9.057 1.00 0.00 H new ATOM 1594 N SER A 108 34.620 4.753 14.297 1.00 0.00 N ATOM 1595 CA SER A 108 34.440 6.021 14.977 1.00 0.00 C ATOM 1596 C SER A 108 32.961 6.414 14.916 1.00 0.00 C ATOM 1597 O SER A 108 32.235 5.992 14.006 1.00 0.00 O ATOM 1598 CB SER A 108 35.334 7.082 14.312 1.00 0.00 C ATOM 1599 OG SER A 108 35.096 7.154 12.912 1.00 0.00 O ATOM 0 H SER A 108 35.199 4.822 13.460 1.00 0.00 H new ATOM 0 HA SER A 108 34.730 5.941 16.025 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.146 8.055 14.766 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.382 6.843 14.493 1.00 0.00 H new ATOM 0 HG SER A 108 35.676 7.837 12.516 1.00 0.00 H new ATOM 1605 N LEU A 109 32.520 7.290 15.827 1.00 0.00 N ATOM 1606 CA LEU A 109 31.176 7.856 15.755 1.00 0.00 C ATOM 1607 C LEU A 109 30.994 8.620 14.451 1.00 0.00 C ATOM 1608 O LEU A 109 29.905 8.624 13.900 1.00 0.00 O ATOM 1609 CB LEU A 109 30.854 8.773 16.948 1.00 0.00 C ATOM 1610 CG LEU A 109 30.802 8.100 18.336 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.204 9.092 19.345 1.00 0.00 C ATOM 1612 CD2 LEU A 109 29.990 6.798 18.350 1.00 0.00 C ATOM 0 H LEU A 109 33.075 7.618 16.618 1.00 0.00 H new ATOM 0 HA LEU A 109 30.479 7.019 15.793 1.00 0.00 H new ATOM 0 HB2 LEU A 109 31.601 9.566 16.981 1.00 0.00 H new ATOM 0 HB3 LEU A 109 29.891 9.249 16.763 1.00 0.00 H new ATOM 0 HG LEU A 109 31.823 7.831 18.605 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.162 8.628 20.330 1.00 0.00 H new ATOM 0 HD12 LEU A 109 30.828 9.985 19.391 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.197 9.368 19.031 1.00 0.00 H new ATOM 0 HD21 LEU A 109 29.994 6.377 19.356 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.964 7.006 18.048 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.435 6.084 17.656 1.00 0.00 H new ATOM 1624 N GLU A 110 32.048 9.244 13.928 1.00 0.00 N ATOM 1625 CA GLU A 110 31.958 10.036 12.706 1.00 0.00 C ATOM 1626 C GLU A 110 31.618 9.161 11.517 1.00 0.00 C ATOM 1627 O GLU A 110 30.747 9.536 10.730 1.00 0.00 O ATOM 1628 CB GLU A 110 33.269 10.778 12.443 1.00 0.00 C ATOM 1629 CG GLU A 110 33.458 11.847 13.511 1.00 0.00 C ATOM 1630 CD GLU A 110 34.670 12.751 13.224 1.00 0.00 C ATOM 1631 OE1 GLU A 110 35.797 12.427 13.671 1.00 0.00 O ATOM 1632 OE2 GLU A 110 34.502 13.802 12.556 1.00 0.00 O ATOM 0 H GLU A 110 32.982 9.215 14.337 1.00 0.00 H new ATOM 0 HA GLU A 110 31.160 10.766 12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.106 10.080 12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 110 33.251 11.234 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 110 32.558 12.459 13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 110 33.586 11.369 14.482 1.00 0.00 H new ATOM 1639 N VAL A 111 32.247 7.991 11.376 1.00 0.00 N ATOM 1640 CA VAL A 111 31.873 7.114 10.280 1.00 0.00 C ATOM 1641 C VAL A 111 30.462 6.594 10.537 1.00 0.00 C ATOM 1642 O VAL A 111 29.643 6.670 9.632 1.00 0.00 O ATOM 1643 CB VAL A 111 32.926 6.015 10.035 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.458 4.947 9.027 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.231 6.646 9.518 1.00 0.00 C ATOM 0 H VAL A 111 32.989 7.644 11.985 1.00 0.00 H new ATOM 0 HA VAL A 111 31.854 7.667 9.341 1.00 0.00 H new ATOM 0 HB VAL A 111 33.086 5.519 10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.242 4.201 8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.556 4.463 9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.244 5.420 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.971 5.864 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.036 7.171 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.612 7.350 10.257 1.00 0.00 H new ATOM 1655 N PHE A 112 30.123 6.179 11.760 1.00 0.00 N ATOM 1656 CA PHE A 112 28.755 5.794 12.121 1.00 0.00 C ATOM 1657 C PHE A 112 27.724 6.847 11.660 1.00 0.00 C ATOM 1658 O PHE A 112 26.751 6.505 10.989 1.00 0.00 O ATOM 1659 CB PHE A 112 28.702 5.570 13.638 1.00 0.00 C ATOM 1660 CG PHE A 112 28.583 4.124 14.063 1.00 0.00 C ATOM 1661 CD1 PHE A 112 27.321 3.517 14.213 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.751 3.396 14.348 1.00 0.00 C ATOM 1663 CE1 PHE A 112 27.229 2.200 14.699 1.00 0.00 C ATOM 1664 CE2 PHE A 112 29.660 2.074 14.813 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.399 1.481 15.000 1.00 0.00 C ATOM 0 H PHE A 112 30.789 6.100 12.529 1.00 0.00 H new ATOM 0 HA PHE A 112 28.488 4.870 11.607 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.602 5.992 14.085 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.855 6.124 14.043 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.425 4.062 13.955 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.719 3.854 14.209 1.00 0.00 H new ATOM 0 HE1 PHE A 112 26.261 1.742 14.841 1.00 0.00 H new ATOM 0 HE2 PHE A 112 30.558 1.513 15.027 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.329 0.471 15.376 1.00 0.00 H new ATOM 1675 N ARG A 113 27.966 8.136 11.943 1.00 0.00 N ATOM 1676 CA ARG A 113 27.105 9.245 11.496 1.00 0.00 C ATOM 1677 C ARG A 113 27.079 9.338 9.974 1.00 0.00 C ATOM 1678 O ARG A 113 26.009 9.455 9.383 1.00 0.00 O ATOM 1679 CB ARG A 113 27.610 10.604 12.036 1.00 0.00 C ATOM 1680 CG ARG A 113 27.434 10.842 13.547 1.00 0.00 C ATOM 1681 CD ARG A 113 27.823 12.280 13.929 1.00 0.00 C ATOM 1682 NE ARG A 113 27.577 12.555 15.361 1.00 0.00 N ATOM 1683 CZ ARG A 113 28.474 12.580 16.359 1.00 0.00 C ATOM 1684 NH1 ARG A 113 29.751 12.255 16.153 1.00 0.00 N ATOM 1685 NH2 ARG A 113 28.078 12.941 17.571 1.00 0.00 N ATOM 0 H ARG A 113 28.770 8.442 12.492 1.00 0.00 H new ATOM 0 HA ARG A 113 26.107 9.036 11.882 1.00 0.00 H new ATOM 0 HB2 ARG A 113 28.669 10.696 11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 113 27.091 11.400 11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 113 26.398 10.655 13.830 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.049 10.135 14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 113 28.877 12.443 13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 113 27.254 12.984 13.321 1.00 0.00 H new ATOM 0 HE ARG A 113 26.610 12.749 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.063 11.980 15.222 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.415 12.281 16.927 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.104 13.195 17.735 1.00 0.00 H new ATOM 0 HH22 ARG A 113 28.747 12.965 18.340 1.00 0.00 H new ATOM 1699 N THR A 114 28.245 9.304 9.341 1.00 0.00 N ATOM 1700 CA THR A 114 28.373 9.562 7.911 1.00 0.00 C ATOM 1701 C THR A 114 27.658 8.464 7.126 1.00 0.00 C ATOM 1702 O THR A 114 26.883 8.750 6.214 1.00 0.00 O ATOM 1703 CB THR A 114 29.867 9.648 7.543 1.00 0.00 C ATOM 1704 OG1 THR A 114 30.485 10.707 8.254 1.00 0.00 O ATOM 1705 CG2 THR A 114 30.093 9.871 6.043 1.00 0.00 C ATOM 0 H THR A 114 29.130 9.097 9.804 1.00 0.00 H new ATOM 0 HA THR A 114 27.905 10.512 7.654 1.00 0.00 H new ATOM 0 HB THR A 114 30.309 8.690 7.815 1.00 0.00 H new ATOM 0 HG1 THR A 114 30.600 10.448 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 114 31.163 9.924 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 114 29.658 9.044 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 114 29.619 10.804 5.739 1.00 0.00 H new ATOM 1713 N VAL A 115 27.876 7.208 7.510 1.00 0.00 N ATOM 1714 CA VAL A 115 27.306 6.040 6.848 1.00 0.00 C ATOM 1715 C VAL A 115 25.781 6.145 6.892 1.00 0.00 C ATOM 1716 O VAL A 115 25.135 5.950 5.868 1.00 0.00 O ATOM 1717 CB VAL A 115 27.873 4.777 7.513 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.204 3.486 7.012 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.369 4.709 7.180 1.00 0.00 C ATOM 0 H VAL A 115 28.467 6.971 8.307 1.00 0.00 H new ATOM 0 HA VAL A 115 27.579 5.986 5.794 1.00 0.00 H new ATOM 0 HB VAL A 115 27.685 4.844 8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.646 2.627 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.136 3.523 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.355 3.391 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.804 3.821 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.499 4.660 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.868 5.598 7.566 1.00 0.00 H new ATOM 1729 N ARG A 116 25.202 6.549 8.030 1.00 0.00 N ATOM 1730 CA ARG A 116 23.768 6.814 8.140 1.00 0.00 C ATOM 1731 C ARG A 116 23.324 7.784 7.046 1.00 0.00 C ATOM 1732 O ARG A 116 22.414 7.461 6.294 1.00 0.00 O ATOM 1733 CB ARG A 116 23.450 7.215 9.610 1.00 0.00 C ATOM 1734 CG ARG A 116 22.266 8.176 9.836 1.00 0.00 C ATOM 1735 CD ARG A 116 22.709 9.635 10.005 1.00 0.00 C ATOM 1736 NE ARG A 116 23.073 9.954 11.401 1.00 0.00 N ATOM 1737 CZ ARG A 116 23.698 11.069 11.801 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.239 11.908 10.926 1.00 0.00 N ATOM 1739 NH2 ARG A 116 23.763 11.341 13.097 1.00 0.00 N ATOM 0 H ARG A 116 25.717 6.700 8.898 1.00 0.00 H new ATOM 0 HA ARG A 116 23.163 5.928 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 116 23.258 6.303 10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 116 24.343 7.672 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 116 21.580 8.105 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 116 21.714 7.863 10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.563 9.830 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 116 21.905 10.296 9.682 1.00 0.00 H new ATOM 0 HE ARG A 116 22.829 9.270 12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.183 11.709 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.710 12.752 11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 116 23.341 10.705 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 116 24.236 12.186 13.418 1.00 0.00 H new ATOM 1753 N GLY A 117 23.977 8.928 6.881 1.00 0.00 N ATOM 1754 CA GLY A 117 23.551 9.904 5.872 1.00 0.00 C ATOM 1755 C GLY A 117 23.685 9.359 4.451 1.00 0.00 C ATOM 1756 O GLY A 117 22.800 9.541 3.616 1.00 0.00 O ATOM 0 H GLY A 117 24.795 9.205 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 117 22.514 10.185 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 117 24.149 10.810 5.970 1.00 0.00 H new ATOM 1760 N GLN A 118 24.744 8.601 4.170 1.00 0.00 N ATOM 1761 CA GLN A 118 24.949 8.004 2.855 1.00 0.00 C ATOM 1762 C GLN A 118 23.840 7.005 2.543 1.00 0.00 C ATOM 1763 O GLN A 118 23.302 7.000 1.435 1.00 0.00 O ATOM 1764 CB GLN A 118 26.341 7.362 2.793 1.00 0.00 C ATOM 1765 CG GLN A 118 27.423 8.447 2.911 1.00 0.00 C ATOM 1766 CD GLN A 118 28.841 7.870 3.001 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.075 6.830 3.613 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.821 8.538 2.406 1.00 0.00 N ATOM 0 H GLN A 118 25.479 8.386 4.844 1.00 0.00 H new ATOM 0 HA GLN A 118 24.903 8.779 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.452 6.636 3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.459 6.819 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.360 9.110 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.227 9.054 3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.617 9.400 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.778 8.189 2.454 1.00 0.00 H new ATOM 1777 N VAL A 119 23.442 6.225 3.549 1.00 0.00 N ATOM 1778 CA VAL A 119 22.306 5.316 3.451 1.00 0.00 C ATOM 1779 C VAL A 119 21.034 6.128 3.188 1.00 0.00 C ATOM 1780 O VAL A 119 20.224 5.697 2.376 1.00 0.00 O ATOM 1781 CB VAL A 119 22.202 4.462 4.736 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.904 3.661 4.823 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.363 3.457 4.820 1.00 0.00 C ATOM 0 H VAL A 119 23.903 6.208 4.459 1.00 0.00 H new ATOM 0 HA VAL A 119 22.442 4.626 2.618 1.00 0.00 H new ATOM 0 HB VAL A 119 22.233 5.177 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.894 3.084 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.054 4.343 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.837 2.984 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.269 2.868 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.334 2.794 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.310 3.996 4.833 1.00 0.00 H new ATOM 1793 N LYS A 120 20.860 7.299 3.810 1.00 0.00 N ATOM 1794 CA LYS A 120 19.636 8.095 3.659 1.00 0.00 C ATOM 1795 C LYS A 120 19.382 8.428 2.194 1.00 0.00 C ATOM 1796 O LYS A 120 18.244 8.344 1.739 1.00 0.00 O ATOM 1797 CB LYS A 120 19.638 9.317 4.608 1.00 0.00 C ATOM 1798 CG LYS A 120 20.071 10.718 4.104 1.00 0.00 C ATOM 1799 CD LYS A 120 18.989 11.778 4.384 1.00 0.00 C ATOM 1800 CE LYS A 120 17.722 11.585 3.526 1.00 0.00 C ATOM 1801 NZ LYS A 120 17.731 12.440 2.312 1.00 0.00 N ATOM 0 H LYS A 120 21.556 7.719 4.426 1.00 0.00 H new ATOM 0 HA LYS A 120 18.780 7.498 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 120 18.626 9.418 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.284 9.067 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.002 11.009 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.271 10.675 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 120 18.716 11.741 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 120 19.401 12.769 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 120 17.641 10.539 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.841 11.816 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.962 12.147 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.594 13.434 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.643 12.339 1.823 1.00 0.00 H new ATOM 1815 N GLU A 121 20.440 8.740 1.445 1.00 0.00 N ATOM 1816 CA GLU A 121 20.307 9.025 0.025 1.00 0.00 C ATOM 1817 C GLU A 121 19.974 7.756 -0.746 1.00 0.00 C ATOM 1818 O GLU A 121 19.122 7.802 -1.633 1.00 0.00 O ATOM 1819 CB GLU A 121 21.589 9.655 -0.547 1.00 0.00 C ATOM 1820 CG GLU A 121 21.897 11.053 0.000 1.00 0.00 C ATOM 1821 CD GLU A 121 20.764 12.059 -0.268 1.00 0.00 C ATOM 1822 OE1 GLU A 121 20.772 12.717 -1.336 1.00 0.00 O ATOM 1823 OE2 GLU A 121 19.858 12.194 0.591 1.00 0.00 O ATOM 0 H GLU A 121 21.394 8.800 1.801 1.00 0.00 H new ATOM 0 HA GLU A 121 19.493 9.741 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.432 8.998 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 121 21.500 9.712 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.073 10.988 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.818 11.421 -0.452 1.00 0.00 H new ATOM 1830 N ARG A 122 20.609 6.616 -0.443 1.00 0.00 N ATOM 1831 CA ARG A 122 20.307 5.390 -1.193 1.00 0.00 C ATOM 1832 C ARG A 122 18.865 4.947 -0.940 1.00 0.00 C ATOM 1833 O ARG A 122 18.157 4.624 -1.891 1.00 0.00 O ATOM 1834 CB ARG A 122 21.288 4.254 -0.872 1.00 0.00 C ATOM 1835 CG ARG A 122 22.633 4.339 -1.605 1.00 0.00 C ATOM 1836 CD ARG A 122 23.595 5.379 -1.033 1.00 0.00 C ATOM 1837 NE ARG A 122 24.823 5.493 -1.842 1.00 0.00 N ATOM 1838 CZ ARG A 122 25.672 6.531 -1.823 1.00 0.00 C ATOM 1839 NH1 ARG A 122 25.470 7.555 -0.993 1.00 0.00 N ATOM 1840 NH2 ARG A 122 26.723 6.540 -2.636 1.00 0.00 N ATOM 0 H ARG A 122 21.311 6.516 0.290 1.00 0.00 H new ATOM 0 HA ARG A 122 20.424 5.623 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.475 4.247 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.815 3.304 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.113 3.361 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.448 4.570 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.098 6.348 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 122 23.857 5.108 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 122 25.045 4.718 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 122 24.665 7.553 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 122 26.120 8.341 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 122 26.882 5.759 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.370 7.328 -2.624 1.00 0.00 H new ATOM 1854 N VAL A 123 18.398 5.017 0.307 1.00 0.00 N ATOM 1855 CA VAL A 123 17.010 4.764 0.655 1.00 0.00 C ATOM 1856 C VAL A 123 16.101 5.669 -0.166 1.00 0.00 C ATOM 1857 O VAL A 123 15.207 5.186 -0.856 1.00 0.00 O ATOM 1858 CB VAL A 123 16.835 4.951 2.167 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.373 4.876 2.578 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.591 3.888 2.982 1.00 0.00 C ATOM 0 H VAL A 123 18.983 5.254 1.108 1.00 0.00 H new ATOM 0 HA VAL A 123 16.729 3.738 0.416 1.00 0.00 H new ATOM 0 HB VAL A 123 17.243 5.939 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.291 5.013 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 123 14.811 5.659 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.968 3.902 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.434 4.066 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.219 2.897 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.656 3.947 2.757 1.00 0.00 H new ATOM 1870 N GLU A 124 16.352 6.971 -0.150 1.00 0.00 N ATOM 1871 CA GLU A 124 15.496 7.924 -0.822 1.00 0.00 C ATOM 1872 C GLU A 124 15.483 7.700 -2.338 1.00 0.00 C ATOM 1873 O GLU A 124 14.448 7.886 -2.967 1.00 0.00 O ATOM 1874 CB GLU A 124 15.937 9.312 -0.395 1.00 0.00 C ATOM 1875 CG GLU A 124 15.003 10.392 -0.934 1.00 0.00 C ATOM 1876 CD GLU A 124 15.401 11.792 -0.441 1.00 0.00 C ATOM 1877 OE1 GLU A 124 15.479 12.009 0.792 1.00 0.00 O ATOM 1878 OE2 GLU A 124 15.649 12.685 -1.285 1.00 0.00 O ATOM 0 H GLU A 124 17.151 7.389 0.327 1.00 0.00 H new ATOM 0 HA GLU A 124 14.454 7.793 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.966 9.366 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.951 9.497 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.017 10.373 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.981 10.175 -0.625 1.00 0.00 H new ATOM 1885 N ASN A 125 16.591 7.246 -2.926 1.00 0.00 N ATOM 1886 CA ASN A 125 16.649 6.844 -4.328 1.00 0.00 C ATOM 1887 C ASN A 125 15.730 5.659 -4.622 1.00 0.00 C ATOM 1888 O ASN A 125 14.990 5.701 -5.604 1.00 0.00 O ATOM 1889 CB ASN A 125 18.078 6.493 -4.761 1.00 0.00 C ATOM 1890 CG ASN A 125 18.852 7.714 -5.248 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.906 7.990 -6.445 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.450 8.478 -4.347 1.00 0.00 N ATOM 0 H ASN A 125 17.480 7.147 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 125 16.306 7.705 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.608 6.040 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.042 5.748 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 125 19.964 9.308 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.397 8.237 -3.357 1.00 0.00 H new ATOM 1899 N LEU A 126 15.746 4.618 -3.777 1.00 0.00 N ATOM 1900 CA LEU A 126 14.819 3.483 -3.902 1.00 0.00 C ATOM 1901 C LEU A 126 13.396 3.990 -3.849 1.00 0.00 C ATOM 1902 O LEU A 126 12.587 3.635 -4.699 1.00 0.00 O ATOM 1903 CB LEU A 126 15.105 2.386 -2.852 1.00 0.00 C ATOM 1904 CG LEU A 126 13.914 1.679 -2.163 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.112 0.177 -2.038 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.667 2.210 -0.753 1.00 0.00 C ATOM 0 H LEU A 126 16.395 4.539 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 126 14.971 3.003 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.709 1.618 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.721 2.831 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 126 13.062 1.890 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.245 -0.265 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.228 -0.259 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.005 -0.024 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.822 1.684 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.556 2.049 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.447 3.277 -0.799 1.00 0.00 H new ATOM 1918 N ILE A 127 13.109 4.842 -2.882 1.00 0.00 N ATOM 1919 CA ILE A 127 11.796 5.443 -2.729 1.00 0.00 C ATOM 1920 C ILE A 127 11.433 6.216 -3.994 1.00 0.00 C ATOM 1921 O ILE A 127 10.312 6.097 -4.476 1.00 0.00 O ATOM 1922 CB ILE A 127 11.858 6.299 -1.456 1.00 0.00 C ATOM 1923 CG1 ILE A 127 11.531 5.379 -0.266 1.00 0.00 C ATOM 1924 CG2 ILE A 127 10.975 7.546 -1.432 1.00 0.00 C ATOM 1925 CD1 ILE A 127 12.497 5.623 0.886 1.00 0.00 C ATOM 0 H ILE A 127 13.784 5.138 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 127 10.999 4.709 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 127 12.866 6.711 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.508 5.557 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.588 4.337 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.106 8.066 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.258 8.208 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 127 9.931 7.255 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.247 4.962 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.516 5.421 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.420 6.660 1.212 1.00 0.00 H new ATOM 1937 N ALA A 128 12.367 6.975 -4.566 1.00 0.00 N ATOM 1938 CA ALA A 128 12.086 7.803 -5.723 1.00 0.00 C ATOM 1939 C ALA A 128 11.664 6.967 -6.931 1.00 0.00 C ATOM 1940 O ALA A 128 10.803 7.410 -7.696 1.00 0.00 O ATOM 1941 CB ALA A 128 13.285 8.700 -6.056 1.00 0.00 C ATOM 0 H ALA A 128 13.331 7.029 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 128 11.243 8.446 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.051 9.312 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.503 9.347 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.155 8.080 -6.272 1.00 0.00 H new ATOM 1947 N LYS A 129 12.236 5.769 -7.102 1.00 0.00 N ATOM 1948 CA LYS A 129 11.800 4.865 -8.153 1.00 0.00 C ATOM 1949 C LYS A 129 10.497 4.146 -7.801 1.00 0.00 C ATOM 1950 O LYS A 129 9.682 3.961 -8.708 1.00 0.00 O ATOM 1951 CB LYS A 129 12.921 3.930 -8.641 1.00 0.00 C ATOM 1952 CG LYS A 129 13.630 3.096 -7.569 1.00 0.00 C ATOM 1953 CD LYS A 129 15.015 2.588 -7.990 1.00 0.00 C ATOM 1954 CE LYS A 129 15.023 1.882 -9.358 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.399 1.508 -9.799 1.00 0.00 N ATOM 0 H LYS A 129 12.998 5.412 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 129 11.560 5.484 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.500 3.249 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.670 4.534 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.734 3.697 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.003 2.242 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.707 3.429 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.385 1.898 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.406 0.985 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.571 2.536 -10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.351 1.036 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.983 2.365 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.823 0.862 -9.103 1.00 0.00 H new ATOM 1969 N ILE A 130 10.267 3.747 -6.543 1.00 0.00 N ATOM 1970 CA ILE A 130 9.128 2.903 -6.228 1.00 0.00 C ATOM 1971 C ILE A 130 7.860 3.626 -5.794 1.00 0.00 C ATOM 1972 O ILE A 130 6.778 3.177 -6.177 1.00 0.00 O ATOM 1973 CB ILE A 130 9.504 1.808 -5.223 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.865 2.240 -3.794 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.479 0.823 -5.886 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.452 1.089 -2.969 1.00 0.00 C ATOM 0 H ILE A 130 10.850 3.995 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 130 8.868 2.451 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 130 8.578 1.282 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.584 3.058 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.974 2.623 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.748 0.043 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 130 10.004 0.371 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.378 1.355 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.691 1.445 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.724 0.280 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.359 0.722 -3.450 1.00 0.00 H new ATOM 1988 N SER A 131 7.954 4.651 -4.961 1.00 0.00 N ATOM 1989 CA SER A 131 6.799 5.283 -4.356 1.00 0.00 C ATOM 1990 C SER A 131 5.958 5.980 -5.431 1.00 0.00 C ATOM 1991 O SER A 131 4.715 5.829 -5.411 1.00 0.00 O ATOM 1992 CB SER A 131 7.262 6.258 -3.280 1.00 0.00 C ATOM 1993 OG SER A 131 7.954 5.530 -2.264 1.00 0.00 O ATOM 1994 OXT SER A 131 6.534 6.679 -6.301 1.00 0.00 O ATOM 0 H SER A 131 8.843 5.069 -4.686 1.00 0.00 H new ATOM 0 HA SER A 131 6.168 4.530 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.916 7.015 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.407 6.782 -2.853 1.00 0.00 H new ATOM 0 HG SER A 131 8.893 5.419 -2.523 1.00 0.00 H new TER 2000 SER A 131