USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -105:sc= 1.71 USER MOD Set 1.2: A 80 CYS SG : rot 83:sc= 0.485 USER MOD Set 2.1: A 5 MET CE :methyl -145:sc= -0.175 (180deg=-2) USER MOD Set 2.2: A 33 THR OG1 : rot 158:sc= 0.345 USER MOD Set 2.3: A 35 CYS SG : rot -88:sc= 0.616 USER MOD Set 2.4: A 73 TYR OH : rot -160:sc= 1.21 USER MOD Set 3.1: A 11 ASN : amide:sc= 1.3 K(o=8.7,f=-5.6) USER MOD Set 3.2: A 16 GLN : amide:sc= 1.66 K(o=8.7,f=-4.6) USER MOD Set 3.3: A 23 LYS NZ :NH3+ 165:sc= 2.38 (180deg=1.23) USER MOD Set 3.4: A 34 SER OG : rot -94:sc= 1.34 USER MOD Set 3.5: A 60 GLN : amide:sc= 2.05 K(o=8.7,f=-0.74!) USER MOD Set 4.1: A 12 SER OG : rot 170:sc= 0.0518 USER MOD Set 4.2: A 13 CYS SG : rot -60:sc= 0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0333 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.22) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1) USER MOD Single : A 8 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -160:sc= -0.584 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0305 (180deg=-0.0305) USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.11) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 40 SER OG : rot 7:sc= 0.681 USER MOD Single : A 43 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00346 USER MOD Single : A 49 MET CE :methyl -152:sc= -0.579 (180deg=-2.6!) USER MOD Single : A 50 MET CE :methyl -132:sc= -4.29 (180deg=-13.5!) USER MOD Single : A 58 SER OG : rot -83:sc= 1.28 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -167:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= 0.953 K(o=0.95,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= 1.07 K(o=1.1,f=-0.025) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.801 K(o=0.8,f=-7.1!) USER MOD Single : A 92 THR OG1 : rot -0:sc= 0.232 USER MOD Single : A 93 GLN : amide:sc= 0.984 K(o=0.98,f=-0.027) USER MOD Single : A 100 GLN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.914 K(o=0.91,f=-1.2) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 118 GLN : amide:sc= 1.41 K(o=1.4,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.08) USER MOD Single : A 125 ASN : amide:sc= 1.21 K(o=1.2,f=-0.06) USER MOD Single : A 129 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.642) USER MOD Single : A 131 SER OG : rot -111:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.262 -0.760 -2.878 1.00 0.00 N ATOM 2 CA MET A 1 2.239 0.353 -2.977 1.00 0.00 C ATOM 3 C MET A 1 3.573 -0.049 -2.340 1.00 0.00 C ATOM 4 O MET A 1 3.597 -0.795 -1.358 1.00 0.00 O ATOM 5 CB MET A 1 1.675 1.653 -2.356 1.00 0.00 C ATOM 6 CG MET A 1 2.672 2.825 -2.324 1.00 0.00 C ATOM 7 SD MET A 1 1.947 4.460 -2.013 1.00 0.00 S ATOM 8 CE MET A 1 1.206 4.831 -3.632 1.00 0.00 C ATOM 0 H1 MET A 1 1.145 -1.203 -3.812 1.00 0.00 H new ATOM 0 H2 MET A 1 1.610 -1.468 -2.200 1.00 0.00 H new ATOM 0 H3 MET A 1 0.346 -0.390 -2.553 1.00 0.00 H new ATOM 0 HA MET A 1 2.420 0.558 -4.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.793 1.957 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.347 1.443 -1.338 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.417 2.625 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.200 2.856 -3.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.722 5.807 -3.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.984 4.840 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.467 4.069 -3.877 1.00 0.00 H new ATOM 18 N LYS A 2 4.687 0.473 -2.869 1.00 0.00 N ATOM 19 CA LYS A 2 6.014 0.356 -2.255 1.00 0.00 C ATOM 20 C LYS A 2 6.532 1.744 -1.902 1.00 0.00 C ATOM 21 O LYS A 2 6.256 2.710 -2.614 1.00 0.00 O ATOM 22 CB LYS A 2 6.998 -0.364 -3.204 1.00 0.00 C ATOM 23 CG LYS A 2 7.180 -1.845 -2.853 1.00 0.00 C ATOM 24 CD LYS A 2 6.114 -2.788 -3.422 1.00 0.00 C ATOM 25 CE LYS A 2 6.178 -4.179 -2.761 1.00 0.00 C ATOM 26 NZ LYS A 2 7.523 -4.810 -2.819 1.00 0.00 N ATOM 0 H LYS A 2 4.691 0.994 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 2 5.932 -0.240 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.636 -0.279 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.966 0.136 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.157 -2.169 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.189 -1.946 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.125 -2.356 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.253 -2.889 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.874 -4.090 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.457 -4.836 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.458 -5.796 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.875 -4.789 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.179 -4.287 -2.204 1.00 0.00 H new ATOM 40 N LYS A 3 7.304 1.839 -0.819 1.00 0.00 N ATOM 41 CA LYS A 3 7.940 3.082 -0.402 1.00 0.00 C ATOM 42 C LYS A 3 9.399 3.051 -0.786 1.00 0.00 C ATOM 43 O LYS A 3 10.138 2.197 -0.299 1.00 0.00 O ATOM 44 CB LYS A 3 7.753 3.310 1.103 1.00 0.00 C ATOM 45 CG LYS A 3 6.519 4.204 1.283 1.00 0.00 C ATOM 46 CD LYS A 3 6.184 4.443 2.753 1.00 0.00 C ATOM 47 CE LYS A 3 5.147 5.559 2.886 1.00 0.00 C ATOM 48 NZ LYS A 3 4.795 5.801 4.303 1.00 0.00 N ATOM 0 H LYS A 3 7.505 1.049 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 3 7.467 3.921 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.618 2.361 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.636 3.784 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.693 5.162 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.664 3.743 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.800 3.526 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.088 4.710 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.538 6.476 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.250 5.293 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.169 6.629 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.308 4.966 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.661 5.978 4.850 1.00 0.00 H new ATOM 62 N VAL A 4 9.791 3.981 -1.643 1.00 0.00 N ATOM 63 CA VAL A 4 11.139 4.143 -2.152 1.00 0.00 C ATOM 64 C VAL A 4 11.833 5.222 -1.324 1.00 0.00 C ATOM 65 O VAL A 4 11.248 6.272 -1.048 1.00 0.00 O ATOM 66 CB VAL A 4 11.039 4.568 -3.633 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.416 4.786 -4.277 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.259 3.551 -4.481 1.00 0.00 C ATOM 0 H VAL A 4 9.145 4.675 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 4 11.712 3.219 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 4 10.499 5.515 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.288 5.083 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.949 5.570 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.989 3.860 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.217 3.895 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.760 2.584 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.246 3.452 -4.090 1.00 0.00 H new ATOM 78 N MET A 5 13.094 4.988 -0.975 1.00 0.00 N ATOM 79 CA MET A 5 13.953 6.011 -0.387 1.00 0.00 C ATOM 80 C MET A 5 15.228 6.108 -1.212 1.00 0.00 C ATOM 81 O MET A 5 15.756 5.080 -1.635 1.00 0.00 O ATOM 82 CB MET A 5 14.278 5.690 1.077 1.00 0.00 C ATOM 83 CG MET A 5 15.228 6.719 1.707 1.00 0.00 C ATOM 84 SD MET A 5 14.593 8.414 1.823 1.00 0.00 S ATOM 85 CE MET A 5 13.916 8.387 3.502 1.00 0.00 C ATOM 0 H MET A 5 13.550 4.083 -1.092 1.00 0.00 H new ATOM 0 HA MET A 5 13.432 6.968 -0.398 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.353 5.655 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.729 4.699 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.488 6.379 2.710 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.151 6.736 1.127 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.017 9.003 3.542 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.666 7.362 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.656 8.780 4.199 1.00 0.00 H new ATOM 95 N PHE A 6 15.753 7.322 -1.364 1.00 0.00 N ATOM 96 CA PHE A 6 17.073 7.593 -1.925 1.00 0.00 C ATOM 97 C PHE A 6 17.944 8.186 -0.805 1.00 0.00 C ATOM 98 O PHE A 6 17.484 9.094 -0.115 1.00 0.00 O ATOM 99 CB PHE A 6 16.967 8.549 -3.111 1.00 0.00 C ATOM 100 CG PHE A 6 16.081 8.048 -4.229 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.536 7.030 -5.092 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.818 8.629 -4.432 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.715 6.552 -6.131 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.043 8.194 -5.517 1.00 0.00 C ATOM 105 CZ PHE A 6 14.456 7.132 -6.329 1.00 0.00 C ATOM 0 H PHE A 6 15.255 8.170 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 6 17.526 6.675 -2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.583 9.507 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.966 8.732 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.523 6.613 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.451 9.396 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.052 5.748 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.107 8.689 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.805 6.760 -7.107 1.00 0.00 H new ATOM 115 N VAL A 7 19.180 7.727 -0.606 1.00 0.00 N ATOM 116 CA VAL A 7 20.008 8.070 0.556 1.00 0.00 C ATOM 117 C VAL A 7 21.427 8.369 0.071 1.00 0.00 C ATOM 118 O VAL A 7 22.055 7.502 -0.530 1.00 0.00 O ATOM 119 CB VAL A 7 20.057 6.879 1.547 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.707 7.315 2.867 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.699 6.233 1.854 1.00 0.00 C ATOM 0 H VAL A 7 19.644 7.095 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 7 19.583 8.937 1.061 1.00 0.00 H new ATOM 0 HB VAL A 7 20.651 6.118 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.736 6.470 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.722 7.662 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.125 8.123 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.838 5.411 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.033 6.976 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.260 5.853 0.932 1.00 0.00 H new ATOM 131 N CYS A 8 21.968 9.560 0.338 1.00 0.00 N ATOM 132 CA CYS A 8 23.265 9.980 -0.196 1.00 0.00 C ATOM 133 C CYS A 8 24.167 10.514 0.903 1.00 0.00 C ATOM 134 O CYS A 8 23.706 10.912 1.967 1.00 0.00 O ATOM 135 CB CYS A 8 22.998 11.050 -1.270 1.00 0.00 C ATOM 136 SG CYS A 8 24.456 11.797 -2.026 1.00 0.00 S ATOM 0 H CYS A 8 21.520 10.259 0.930 1.00 0.00 H new ATOM 0 HA CYS A 8 23.786 9.129 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.394 10.601 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.399 11.843 -0.823 1.00 0.00 H new ATOM 0 HG CYS A 8 24.085 12.675 -2.910 1.00 0.00 H new ATOM 142 N LYS A 9 25.463 10.607 0.610 1.00 0.00 N ATOM 143 CA LYS A 9 26.434 11.296 1.450 1.00 0.00 C ATOM 144 C LYS A 9 26.086 12.784 1.646 1.00 0.00 C ATOM 145 O LYS A 9 26.543 13.363 2.630 1.00 0.00 O ATOM 146 CB LYS A 9 27.840 11.098 0.844 1.00 0.00 C ATOM 147 CG LYS A 9 28.609 10.000 1.592 1.00 0.00 C ATOM 148 CD LYS A 9 29.988 9.768 0.957 1.00 0.00 C ATOM 149 CE LYS A 9 30.852 8.782 1.760 1.00 0.00 C ATOM 150 NZ LYS A 9 31.341 9.351 3.045 1.00 0.00 N ATOM 0 H LYS A 9 25.871 10.199 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 9 26.412 10.863 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.752 10.833 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.396 12.034 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.729 10.282 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.036 9.073 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.858 9.389 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.511 10.721 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.272 7.882 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.706 8.479 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.917 8.642 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.919 10.194 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.529 9.615 3.639 1.00 0.00 H new ATOM 164 N ARG A 10 25.288 13.402 0.755 1.00 0.00 N ATOM 165 CA ARG A 10 24.938 14.828 0.844 1.00 0.00 C ATOM 166 C ARG A 10 23.471 15.187 0.547 1.00 0.00 C ATOM 167 O ARG A 10 23.097 16.330 0.791 1.00 0.00 O ATOM 168 CB ARG A 10 25.920 15.656 -0.015 1.00 0.00 C ATOM 169 CG ARG A 10 25.898 15.364 -1.531 1.00 0.00 C ATOM 170 CD ARG A 10 26.596 16.473 -2.329 1.00 0.00 C ATOM 171 NE ARG A 10 28.022 16.227 -2.569 1.00 0.00 N ATOM 172 CZ ARG A 10 29.078 16.668 -1.882 1.00 0.00 C ATOM 173 NH1 ARG A 10 28.938 17.357 -0.752 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.280 16.395 -2.368 1.00 0.00 N ATOM 0 H ARG A 10 24.870 12.926 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 10 25.042 15.089 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.702 16.713 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.931 15.483 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.389 14.410 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.866 15.266 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.091 16.589 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.485 17.416 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 10 28.236 15.637 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.006 17.560 -0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.763 17.682 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.371 15.867 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.114 16.713 -1.875 1.00 0.00 H new ATOM 188 N ASN A 11 22.633 14.267 0.042 1.00 0.00 N ATOM 189 CA ASN A 11 21.230 14.450 -0.418 1.00 0.00 C ATOM 190 C ASN A 11 21.031 15.417 -1.601 1.00 0.00 C ATOM 191 O ASN A 11 20.279 15.089 -2.518 1.00 0.00 O ATOM 192 CB ASN A 11 20.294 14.878 0.733 1.00 0.00 C ATOM 193 CG ASN A 11 18.847 15.034 0.251 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.342 16.140 0.104 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.146 13.947 -0.013 1.00 0.00 N ATOM 0 H ASN A 11 22.934 13.298 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 11 20.966 13.457 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.335 14.137 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.642 15.821 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.183 14.028 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.567 13.026 0.110 1.00 0.00 H new ATOM 202 N SER A 12 21.710 16.565 -1.588 1.00 0.00 N ATOM 203 CA SER A 12 21.559 17.747 -2.436 1.00 0.00 C ATOM 204 C SER A 12 21.174 17.549 -3.899 1.00 0.00 C ATOM 205 O SER A 12 20.414 18.363 -4.429 1.00 0.00 O ATOM 206 CB SER A 12 22.861 18.547 -2.368 1.00 0.00 C ATOM 207 OG SER A 12 23.952 17.771 -2.822 1.00 0.00 O ATOM 0 H SER A 12 22.459 16.703 -0.910 1.00 0.00 H new ATOM 0 HA SER A 12 20.691 18.260 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.772 19.448 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.041 18.871 -1.343 1.00 0.00 H new ATOM 0 HG SER A 12 24.741 18.344 -2.924 1.00 0.00 H new ATOM 213 N CYS A 13 21.710 16.525 -4.562 1.00 0.00 N ATOM 214 CA CYS A 13 21.593 16.359 -6.002 1.00 0.00 C ATOM 215 C CYS A 13 21.194 14.932 -6.360 1.00 0.00 C ATOM 216 O CYS A 13 20.136 14.746 -6.959 1.00 0.00 O ATOM 217 CB CYS A 13 22.911 16.787 -6.676 1.00 0.00 C ATOM 218 SG CYS A 13 24.381 16.178 -5.786 1.00 0.00 S ATOM 0 H CYS A 13 22.242 15.783 -4.107 1.00 0.00 H new ATOM 0 HA CYS A 13 20.797 17.002 -6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.930 16.413 -7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.950 17.875 -6.733 1.00 0.00 H new ATOM 0 HG CYS A 13 24.384 16.654 -4.576 1.00 0.00 H new ATOM 224 N ARG A 14 22.005 13.930 -5.985 1.00 0.00 N ATOM 225 CA ARG A 14 21.801 12.545 -6.428 1.00 0.00 C ATOM 226 C ARG A 14 20.407 12.073 -5.996 1.00 0.00 C ATOM 227 O ARG A 14 19.581 11.714 -6.839 1.00 0.00 O ATOM 228 CB ARG A 14 22.912 11.608 -5.893 1.00 0.00 C ATOM 229 CG ARG A 14 24.288 11.940 -6.500 1.00 0.00 C ATOM 230 CD ARG A 14 25.448 11.228 -5.786 1.00 0.00 C ATOM 231 NE ARG A 14 26.140 12.109 -4.816 1.00 0.00 N ATOM 232 CZ ARG A 14 27.037 11.712 -3.903 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.253 10.427 -3.688 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.717 12.611 -3.207 1.00 0.00 N ATOM 0 H ARG A 14 22.811 14.056 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 14 21.863 12.509 -7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.965 11.691 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.655 10.574 -6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.291 11.660 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.448 13.017 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.067 10.349 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.165 10.874 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 14 25.914 13.103 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.735 9.727 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.938 10.135 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.558 13.606 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.400 12.308 -2.512 1.00 0.00 H new ATOM 248 N SER A 15 20.124 12.139 -4.692 1.00 0.00 N ATOM 249 CA SER A 15 18.856 11.684 -4.143 1.00 0.00 C ATOM 250 C SER A 15 17.706 12.594 -4.586 1.00 0.00 C ATOM 251 O SER A 15 16.629 12.109 -4.926 1.00 0.00 O ATOM 252 CB SER A 15 18.916 11.692 -2.615 1.00 0.00 C ATOM 253 OG SER A 15 20.197 11.441 -2.094 1.00 0.00 O ATOM 0 H SER A 15 20.769 12.509 -3.994 1.00 0.00 H new ATOM 0 HA SER A 15 18.679 10.674 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.570 12.660 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.225 10.942 -2.230 1.00 0.00 H new ATOM 0 HG SER A 15 20.119 11.148 -1.162 1.00 0.00 H new ATOM 259 N GLN A 16 17.925 13.915 -4.565 1.00 0.00 N ATOM 260 CA GLN A 16 16.894 14.911 -4.846 1.00 0.00 C ATOM 261 C GLN A 16 16.329 14.747 -6.257 1.00 0.00 C ATOM 262 O GLN A 16 15.109 14.738 -6.433 1.00 0.00 O ATOM 263 CB GLN A 16 17.494 16.315 -4.653 1.00 0.00 C ATOM 264 CG GLN A 16 17.503 16.728 -3.175 1.00 0.00 C ATOM 265 CD GLN A 16 16.116 17.046 -2.611 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.181 17.402 -3.324 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.963 16.928 -1.307 1.00 0.00 N ATOM 0 H GLN A 16 18.835 14.322 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 16 16.064 14.770 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.512 16.333 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.919 17.039 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.948 15.926 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.142 17.603 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.747 16.631 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.060 17.133 -0.879 1.00 0.00 H new ATOM 276 N MET A 17 17.204 14.572 -7.251 1.00 0.00 N ATOM 277 CA MET A 17 16.780 14.315 -8.620 1.00 0.00 C ATOM 278 C MET A 17 16.002 13.007 -8.701 1.00 0.00 C ATOM 279 O MET A 17 14.930 12.963 -9.306 1.00 0.00 O ATOM 280 CB MET A 17 17.998 14.259 -9.545 1.00 0.00 C ATOM 281 CG MET A 17 18.508 15.661 -9.895 1.00 0.00 C ATOM 282 SD MET A 17 19.555 15.754 -11.374 1.00 0.00 S ATOM 283 CE MET A 17 21.123 15.169 -10.688 1.00 0.00 C ATOM 0 H MET A 17 18.216 14.605 -7.126 1.00 0.00 H new ATOM 0 HA MET A 17 16.128 15.128 -8.940 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.795 13.691 -9.064 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.736 13.728 -10.460 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.650 16.318 -10.035 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.071 16.048 -9.046 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.883 15.164 -11.470 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.437 15.831 -9.881 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.996 14.159 -10.299 1.00 0.00 H new ATOM 293 N ALA A 18 16.522 11.948 -8.074 1.00 0.00 N ATOM 294 CA ALA A 18 15.882 10.645 -8.111 1.00 0.00 C ATOM 295 C ALA A 18 14.454 10.716 -7.554 1.00 0.00 C ATOM 296 O ALA A 18 13.546 10.111 -8.123 1.00 0.00 O ATOM 297 CB ALA A 18 16.750 9.644 -7.350 1.00 0.00 C ATOM 0 H ALA A 18 17.388 11.976 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 18 15.791 10.309 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.277 8.662 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.732 9.585 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.860 9.970 -6.316 1.00 0.00 H new ATOM 303 N GLU A 19 14.238 11.496 -6.490 1.00 0.00 N ATOM 304 CA GLU A 19 12.922 11.674 -5.873 1.00 0.00 C ATOM 305 C GLU A 19 11.959 12.342 -6.854 1.00 0.00 C ATOM 306 O GLU A 19 10.825 11.887 -7.007 1.00 0.00 O ATOM 307 CB GLU A 19 13.051 12.503 -4.583 1.00 0.00 C ATOM 308 CG GLU A 19 11.812 12.345 -3.689 1.00 0.00 C ATOM 309 CD GLU A 19 11.752 13.339 -2.521 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.775 13.545 -1.835 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.652 13.876 -2.267 1.00 0.00 O ATOM 0 H GLU A 19 14.979 12.025 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 19 12.518 10.695 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.939 12.190 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.187 13.554 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.918 12.465 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.792 11.331 -3.290 1.00 0.00 H new ATOM 318 N GLY A 20 12.407 13.403 -7.530 1.00 0.00 N ATOM 319 CA GLY A 20 11.588 14.123 -8.489 1.00 0.00 C ATOM 320 C GLY A 20 11.176 13.229 -9.662 1.00 0.00 C ATOM 321 O GLY A 20 10.002 13.228 -10.043 1.00 0.00 O ATOM 0 H GLY A 20 13.348 13.781 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.697 14.506 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.139 14.985 -8.864 1.00 0.00 H new ATOM 325 N PHE A 21 12.103 12.438 -10.224 1.00 0.00 N ATOM 326 CA PHE A 21 11.744 11.526 -11.309 1.00 0.00 C ATOM 327 C PHE A 21 10.788 10.469 -10.765 1.00 0.00 C ATOM 328 O PHE A 21 9.736 10.256 -11.350 1.00 0.00 O ATOM 329 CB PHE A 21 12.972 10.894 -11.994 1.00 0.00 C ATOM 330 CG PHE A 21 13.886 11.888 -12.694 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.400 12.707 -13.735 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.209 12.058 -12.246 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.180 13.774 -14.215 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.000 13.102 -12.752 1.00 0.00 C ATOM 335 CZ PHE A 21 15.461 13.990 -13.695 1.00 0.00 C ATOM 0 H PHE A 21 13.085 12.414 -9.949 1.00 0.00 H new ATOM 0 HA PHE A 21 11.247 12.099 -12.092 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.551 10.352 -11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.628 10.161 -12.723 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.428 12.514 -14.164 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.618 11.382 -11.509 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.791 14.426 -14.984 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.020 13.221 -12.416 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.037 14.844 -14.021 1.00 0.00 H new ATOM 345 N ALA A 22 11.079 9.852 -9.622 1.00 0.00 N ATOM 346 CA ALA A 22 10.262 8.788 -9.050 1.00 0.00 C ATOM 347 C ALA A 22 8.826 9.230 -8.801 1.00 0.00 C ATOM 348 O ALA A 22 7.905 8.492 -9.155 1.00 0.00 O ATOM 349 CB ALA A 22 10.913 8.276 -7.767 1.00 0.00 C ATOM 0 H ALA A 22 11.900 10.081 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 22 10.210 7.976 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.301 7.481 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.906 7.888 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.997 9.093 -7.050 1.00 0.00 H new ATOM 355 N LYS A 23 8.601 10.434 -8.263 1.00 0.00 N ATOM 356 CA LYS A 23 7.237 10.899 -8.045 1.00 0.00 C ATOM 357 C LYS A 23 6.547 11.360 -9.328 1.00 0.00 C ATOM 358 O LYS A 23 5.392 11.769 -9.287 1.00 0.00 O ATOM 359 CB LYS A 23 7.140 11.939 -6.941 1.00 0.00 C ATOM 360 CG LYS A 23 7.673 13.315 -7.341 1.00 0.00 C ATOM 361 CD LYS A 23 7.587 14.241 -6.121 1.00 0.00 C ATOM 362 CE LYS A 23 8.553 13.782 -5.030 1.00 0.00 C ATOM 363 NZ LYS A 23 8.663 14.761 -3.923 1.00 0.00 N ATOM 0 H LYS A 23 9.331 11.087 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 23 6.686 10.024 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.098 12.037 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.693 11.584 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.704 13.237 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.090 13.722 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.822 15.264 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.568 14.248 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.218 12.824 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.538 13.619 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.116 14.309 -3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.236 15.572 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.714 15.090 -3.655 1.00 0.00 H new ATOM 377 N THR A 24 7.231 11.344 -10.461 1.00 0.00 N ATOM 378 CA THR A 24 6.613 11.542 -11.751 1.00 0.00 C ATOM 379 C THR A 24 6.330 10.178 -12.397 1.00 0.00 C ATOM 380 O THR A 24 5.239 9.936 -12.914 1.00 0.00 O ATOM 381 CB THR A 24 7.573 12.397 -12.597 1.00 0.00 C ATOM 382 OG1 THR A 24 7.933 13.584 -11.910 1.00 0.00 O ATOM 383 CG2 THR A 24 6.912 12.785 -13.912 1.00 0.00 C ATOM 0 H THR A 24 8.239 11.192 -10.505 1.00 0.00 H new ATOM 0 HA THR A 24 5.657 12.060 -11.666 1.00 0.00 H new ATOM 0 HB THR A 24 8.466 11.801 -12.786 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.655 13.389 -11.276 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.601 13.390 -14.501 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.653 11.884 -14.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.008 13.359 -13.709 1.00 0.00 H new ATOM 391 N LEU A 25 7.315 9.282 -12.347 1.00 0.00 N ATOM 392 CA LEU A 25 7.341 8.002 -13.037 1.00 0.00 C ATOM 393 C LEU A 25 6.406 7.001 -12.373 1.00 0.00 C ATOM 394 O LEU A 25 5.714 6.257 -13.069 1.00 0.00 O ATOM 395 CB LEU A 25 8.779 7.458 -13.026 1.00 0.00 C ATOM 396 CG LEU A 25 9.788 8.282 -13.853 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.192 7.764 -13.550 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.506 8.185 -15.355 1.00 0.00 C ATOM 0 H LEU A 25 8.157 9.442 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 25 7.002 8.149 -14.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.127 7.412 -11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.769 6.436 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 25 9.697 9.332 -13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.922 8.334 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.400 7.877 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.258 6.711 -13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.238 8.779 -15.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.574 7.144 -15.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.505 8.563 -15.562 1.00 0.00 H new ATOM 410 N GLY A 26 6.392 6.990 -11.040 1.00 0.00 N ATOM 411 CA GLY A 26 5.722 5.957 -10.262 1.00 0.00 C ATOM 412 C GLY A 26 4.760 6.459 -9.187 1.00 0.00 C ATOM 413 O GLY A 26 4.077 5.624 -8.585 1.00 0.00 O ATOM 0 H GLY A 26 6.848 7.702 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.170 5.313 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.481 5.338 -9.784 1.00 0.00 H new ATOM 417 N ALA A 27 4.667 7.771 -8.923 1.00 0.00 N ATOM 418 CA ALA A 27 3.673 8.291 -7.984 1.00 0.00 C ATOM 419 C ALA A 27 2.279 7.821 -8.407 1.00 0.00 C ATOM 420 O ALA A 27 1.848 8.066 -9.537 1.00 0.00 O ATOM 421 CB ALA A 27 3.714 9.816 -7.878 1.00 0.00 C ATOM 0 H ALA A 27 5.264 8.482 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 27 3.911 7.901 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.957 10.152 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.699 10.130 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.515 10.254 -8.856 1.00 0.00 H new ATOM 427 N GLY A 28 1.607 7.118 -7.497 1.00 0.00 N ATOM 428 CA GLY A 28 0.336 6.443 -7.740 1.00 0.00 C ATOM 429 C GLY A 28 0.434 4.963 -7.372 1.00 0.00 C ATOM 430 O GLY A 28 -0.542 4.392 -6.883 1.00 0.00 O ATOM 0 H GLY A 28 1.943 7.000 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.452 6.917 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.059 6.545 -8.789 1.00 0.00 H new ATOM 434 N LYS A 29 1.620 4.355 -7.530 1.00 0.00 N ATOM 435 CA LYS A 29 1.906 2.980 -7.125 1.00 0.00 C ATOM 436 C LYS A 29 3.142 2.891 -6.237 1.00 0.00 C ATOM 437 O LYS A 29 3.330 1.876 -5.567 1.00 0.00 O ATOM 438 CB LYS A 29 1.932 2.048 -8.346 1.00 0.00 C ATOM 439 CG LYS A 29 2.711 2.503 -9.598 1.00 0.00 C ATOM 440 CD LYS A 29 4.235 2.369 -9.504 1.00 0.00 C ATOM 441 CE LYS A 29 4.687 0.920 -9.245 1.00 0.00 C ATOM 442 NZ LYS A 29 4.210 -0.027 -10.286 1.00 0.00 N ATOM 0 H LYS A 29 2.422 4.821 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 29 1.091 2.625 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.347 1.092 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.900 1.864 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.364 1.923 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.466 3.546 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.685 2.726 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.604 3.009 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.776 0.886 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.319 0.598 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.514 -0.991 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.172 0.006 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.610 0.241 -11.208 1.00 0.00 H new ATOM 456 N ILE A 30 3.945 3.950 -6.164 1.00 0.00 N ATOM 457 CA ILE A 30 5.012 4.091 -5.190 1.00 0.00 C ATOM 458 C ILE A 30 4.870 5.460 -4.543 1.00 0.00 C ATOM 459 O ILE A 30 4.297 6.383 -5.128 1.00 0.00 O ATOM 460 CB ILE A 30 6.422 3.893 -5.788 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.750 4.813 -6.982 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.598 2.420 -6.174 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.252 5.042 -7.210 1.00 0.00 C ATOM 0 H ILE A 30 3.866 4.747 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 30 4.913 3.299 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 30 7.133 4.180 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.319 4.383 -7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.267 5.778 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.591 2.271 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.484 1.796 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.844 2.145 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.394 5.699 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.688 5.503 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.741 4.087 -7.400 1.00 0.00 H new ATOM 475 N ALA A 31 5.417 5.576 -3.342 1.00 0.00 N ATOM 476 CA ALA A 31 5.599 6.826 -2.633 1.00 0.00 C ATOM 477 C ALA A 31 7.105 6.949 -2.459 1.00 0.00 C ATOM 478 O ALA A 31 7.751 5.960 -2.103 1.00 0.00 O ATOM 479 CB ALA A 31 4.880 6.754 -1.282 1.00 0.00 C ATOM 0 H ALA A 31 5.758 4.770 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 31 5.188 7.687 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.016 7.694 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.816 6.580 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.295 5.937 -0.692 1.00 0.00 H new ATOM 485 N VAL A 32 7.676 8.123 -2.721 1.00 0.00 N ATOM 486 CA VAL A 32 9.112 8.295 -2.656 1.00 0.00 C ATOM 487 C VAL A 32 9.511 9.407 -1.700 1.00 0.00 C ATOM 488 O VAL A 32 8.774 10.376 -1.496 1.00 0.00 O ATOM 489 CB VAL A 32 9.622 8.486 -4.084 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.120 9.770 -4.754 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.131 8.306 -4.154 1.00 0.00 C ATOM 0 H VAL A 32 7.160 8.964 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 32 9.587 7.409 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 32 9.180 7.692 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.524 9.835 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.031 9.755 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.447 10.634 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.467 8.447 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.615 9.040 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.393 7.302 -3.821 1.00 0.00 H new ATOM 501 N THR A 33 10.713 9.271 -1.152 1.00 0.00 N ATOM 502 CA THR A 33 11.391 10.287 -0.385 1.00 0.00 C ATOM 503 C THR A 33 12.893 10.190 -0.686 1.00 0.00 C ATOM 504 O THR A 33 13.373 9.170 -1.189 1.00 0.00 O ATOM 505 CB THR A 33 11.109 10.063 1.122 1.00 0.00 C ATOM 506 OG1 THR A 33 9.755 9.727 1.391 1.00 0.00 O ATOM 507 CG2 THR A 33 11.467 11.268 1.995 1.00 0.00 C ATOM 0 H THR A 33 11.256 8.412 -1.238 1.00 0.00 H new ATOM 0 HA THR A 33 11.035 11.282 -0.652 1.00 0.00 H new ATOM 0 HB THR A 33 11.757 9.225 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.697 9.269 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.244 11.041 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.529 11.490 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.883 12.133 1.679 1.00 0.00 H new ATOM 515 N SER A 34 13.645 11.242 -0.384 1.00 0.00 N ATOM 516 CA SER A 34 15.088 11.251 -0.378 1.00 0.00 C ATOM 517 C SER A 34 15.579 11.766 0.973 1.00 0.00 C ATOM 518 O SER A 34 14.873 12.511 1.662 1.00 0.00 O ATOM 519 CB SER A 34 15.609 12.090 -1.537 1.00 0.00 C ATOM 520 OG SER A 34 15.309 13.464 -1.436 1.00 0.00 O ATOM 0 H SER A 34 13.242 12.143 -0.128 1.00 0.00 H new ATOM 0 HA SER A 34 15.473 10.241 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.690 11.969 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.190 11.705 -2.467 1.00 0.00 H new ATOM 0 HG SER A 34 14.477 13.653 -1.918 1.00 0.00 H new ATOM 526 N CYS A 35 16.802 11.397 1.350 1.00 0.00 N ATOM 527 CA CYS A 35 17.456 11.885 2.544 1.00 0.00 C ATOM 528 C CYS A 35 18.963 11.775 2.304 1.00 0.00 C ATOM 529 O CYS A 35 19.405 11.578 1.162 1.00 0.00 O ATOM 530 CB CYS A 35 16.951 11.097 3.766 1.00 0.00 C ATOM 531 SG CYS A 35 17.437 9.353 3.672 1.00 0.00 S ATOM 0 H CYS A 35 17.370 10.737 0.818 1.00 0.00 H new ATOM 0 HA CYS A 35 17.224 12.928 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.352 11.540 4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.865 11.171 3.826 1.00 0.00 H new ATOM 0 HG CYS A 35 16.538 8.687 3.010 1.00 0.00 H new ATOM 537 N GLY A 36 19.767 11.892 3.352 1.00 0.00 N ATOM 538 CA GLY A 36 21.179 11.590 3.266 1.00 0.00 C ATOM 539 C GLY A 36 21.761 11.316 4.637 1.00 0.00 C ATOM 540 O GLY A 36 21.149 11.672 5.647 1.00 0.00 O ATOM 0 H GLY A 36 19.457 12.196 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.330 10.723 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.705 12.425 2.804 1.00 0.00 H new ATOM 544 N LEU A 37 22.951 10.705 4.652 1.00 0.00 N ATOM 545 CA LEU A 37 23.738 10.462 5.863 1.00 0.00 C ATOM 546 C LEU A 37 23.911 11.764 6.653 1.00 0.00 C ATOM 547 O LEU A 37 23.962 11.749 7.882 1.00 0.00 O ATOM 548 CB LEU A 37 25.103 9.843 5.509 1.00 0.00 C ATOM 549 CG LEU A 37 25.033 8.400 4.966 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.427 7.950 4.514 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.502 7.411 6.014 1.00 0.00 C ATOM 0 H LEU A 37 23.402 10.359 3.805 1.00 0.00 H new ATOM 0 HA LEU A 37 23.202 9.750 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.591 10.473 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.733 9.852 6.398 1.00 0.00 H new ATOM 0 HG LEU A 37 24.340 8.403 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.374 6.931 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.787 8.614 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.113 7.984 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.471 6.409 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.160 7.414 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.498 7.707 6.318 1.00 0.00 H new ATOM 563 N GLU A 38 23.966 12.885 5.936 1.00 0.00 N ATOM 564 CA GLU A 38 23.890 14.235 6.451 1.00 0.00 C ATOM 565 C GLU A 38 23.202 15.037 5.343 1.00 0.00 C ATOM 566 O GLU A 38 23.361 14.733 4.154 1.00 0.00 O ATOM 567 CB GLU A 38 25.292 14.771 6.779 1.00 0.00 C ATOM 568 CG GLU A 38 25.311 16.172 7.408 1.00 0.00 C ATOM 569 CD GLU A 38 24.507 16.250 8.717 1.00 0.00 C ATOM 570 OE1 GLU A 38 23.263 16.370 8.653 1.00 0.00 O ATOM 571 OE2 GLU A 38 25.113 16.207 9.812 1.00 0.00 O ATOM 0 H GLU A 38 24.071 12.865 4.922 1.00 0.00 H new ATOM 0 HA GLU A 38 23.333 14.300 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.782 14.075 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.882 14.790 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.343 16.463 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.906 16.891 6.695 1.00 0.00 H new ATOM 578 N SER A 39 22.402 16.021 5.733 1.00 0.00 N ATOM 579 CA SER A 39 21.694 16.891 4.796 1.00 0.00 C ATOM 580 C SER A 39 22.626 17.977 4.227 1.00 0.00 C ATOM 581 O SER A 39 23.685 18.278 4.786 1.00 0.00 O ATOM 582 CB SER A 39 20.455 17.484 5.488 1.00 0.00 C ATOM 583 OG SER A 39 20.736 17.922 6.809 1.00 0.00 O ATOM 0 H SER A 39 22.224 16.241 6.713 1.00 0.00 H new ATOM 0 HA SER A 39 21.358 16.304 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.080 18.322 4.901 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.663 16.735 5.516 1.00 0.00 H new ATOM 0 HG SER A 39 19.923 18.293 7.211 1.00 0.00 H new ATOM 589 N SER A 40 22.234 18.589 3.107 1.00 0.00 N ATOM 590 CA SER A 40 22.841 19.779 2.509 1.00 0.00 C ATOM 591 C SER A 40 21.773 20.442 1.628 1.00 0.00 C ATOM 592 O SER A 40 20.742 19.827 1.350 1.00 0.00 O ATOM 593 CB SER A 40 24.078 19.399 1.678 1.00 0.00 C ATOM 594 OG SER A 40 25.086 18.827 2.492 1.00 0.00 O ATOM 0 H SER A 40 21.441 18.248 2.564 1.00 0.00 H new ATOM 0 HA SER A 40 23.177 20.468 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.793 18.693 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.470 20.285 1.178 1.00 0.00 H new ATOM 0 HG SER A 40 24.741 18.701 3.400 1.00 0.00 H new ATOM 600 N ARG A 41 21.988 21.690 1.200 1.00 0.00 N ATOM 601 CA ARG A 41 21.068 22.449 0.348 1.00 0.00 C ATOM 602 C ARG A 41 20.690 21.642 -0.893 1.00 0.00 C ATOM 603 O ARG A 41 21.549 20.953 -1.442 1.00 0.00 O ATOM 604 CB ARG A 41 21.747 23.786 -0.037 1.00 0.00 C ATOM 605 CG ARG A 41 22.873 23.628 -1.085 1.00 0.00 C ATOM 606 CD ARG A 41 23.867 24.798 -1.111 1.00 0.00 C ATOM 607 NE ARG A 41 24.596 24.904 -2.394 1.00 0.00 N ATOM 608 CZ ARG A 41 25.366 23.986 -3.002 1.00 0.00 C ATOM 609 NH1 ARG A 41 25.656 22.820 -2.428 1.00 0.00 N ATOM 610 NH2 ARG A 41 25.834 24.243 -4.217 1.00 0.00 N ATOM 0 H ARG A 41 22.829 22.214 1.443 1.00 0.00 H new ATOM 0 HA ARG A 41 20.144 22.655 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.992 24.468 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.159 24.246 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.418 22.706 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.424 23.523 -2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.330 25.728 -0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.585 24.677 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 41 24.501 25.794 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.291 22.603 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.244 22.144 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.608 25.126 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.420 23.557 -4.693 1.00 0.00 H new ATOM 624 N VAL A 42 19.448 21.733 -1.370 1.00 0.00 N ATOM 625 CA VAL A 42 19.134 21.165 -2.686 1.00 0.00 C ATOM 626 C VAL A 42 19.972 21.955 -3.690 1.00 0.00 C ATOM 627 O VAL A 42 20.002 23.189 -3.646 1.00 0.00 O ATOM 628 CB VAL A 42 17.637 21.210 -3.046 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.408 20.547 -4.421 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.807 20.493 -1.974 1.00 0.00 C ATOM 0 H VAL A 42 18.667 22.177 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 42 19.373 20.101 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 42 17.319 22.252 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.347 20.582 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.977 21.081 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.738 19.509 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.752 20.534 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.124 19.452 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.955 20.983 -1.011 1.00 0.00 H new ATOM 640 N HIS A 43 20.687 21.250 -4.563 1.00 0.00 N ATOM 641 CA HIS A 43 21.606 21.878 -5.489 1.00 0.00 C ATOM 642 C HIS A 43 20.816 22.649 -6.556 1.00 0.00 C ATOM 643 O HIS A 43 19.812 22.127 -7.043 1.00 0.00 O ATOM 644 CB HIS A 43 22.497 20.790 -6.096 1.00 0.00 C ATOM 645 CG HIS A 43 23.842 21.336 -6.473 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.226 21.826 -7.697 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.875 21.557 -5.610 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.470 22.318 -7.575 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.911 22.186 -6.313 1.00 0.00 N ATOM 0 H HIS A 43 20.642 20.234 -4.643 1.00 0.00 H new ATOM 0 HA HIS A 43 22.245 22.600 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.620 19.976 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.013 20.370 -6.977 1.00 0.00 H new ATOM 0 HD1 HIS A 43 23.665 21.818 -8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.892 21.292 -4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.038 22.759 -8.381 1.00 0.00 H new ATOM 657 N PRO A 44 21.230 23.861 -6.965 1.00 0.00 N ATOM 658 CA PRO A 44 20.407 24.679 -7.846 1.00 0.00 C ATOM 659 C PRO A 44 20.398 24.131 -9.270 1.00 0.00 C ATOM 660 O PRO A 44 19.350 24.053 -9.898 1.00 0.00 O ATOM 661 CB PRO A 44 20.991 26.092 -7.752 1.00 0.00 C ATOM 662 CG PRO A 44 22.460 25.859 -7.394 1.00 0.00 C ATOM 663 CD PRO A 44 22.439 24.569 -6.572 1.00 0.00 C ATOM 0 HA PRO A 44 19.359 24.677 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.890 26.630 -8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.483 26.685 -6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.077 25.754 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.868 26.691 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.325 23.966 -6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.433 24.787 -5.504 1.00 0.00 H new ATOM 671 N THR A 45 21.528 23.660 -9.784 1.00 0.00 N ATOM 672 CA THR A 45 21.592 23.138 -11.144 1.00 0.00 C ATOM 673 C THR A 45 20.789 21.830 -11.297 1.00 0.00 C ATOM 674 O THR A 45 20.389 21.463 -12.404 1.00 0.00 O ATOM 675 CB THR A 45 23.082 22.968 -11.479 1.00 0.00 C ATOM 676 OG1 THR A 45 23.797 24.137 -11.110 1.00 0.00 O ATOM 677 CG2 THR A 45 23.370 22.632 -12.938 1.00 0.00 C ATOM 0 H THR A 45 22.414 23.629 -9.279 1.00 0.00 H new ATOM 0 HA THR A 45 21.127 23.827 -11.850 1.00 0.00 H new ATOM 0 HB THR A 45 23.416 22.106 -10.901 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.746 24.021 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.446 22.530 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.879 21.695 -13.199 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.992 23.430 -13.577 1.00 0.00 H new ATOM 685 N ALA A 46 20.473 21.155 -10.185 1.00 0.00 N ATOM 686 CA ALA A 46 19.566 20.013 -10.181 1.00 0.00 C ATOM 687 C ALA A 46 18.203 20.408 -10.736 1.00 0.00 C ATOM 688 O ALA A 46 17.580 19.642 -11.471 1.00 0.00 O ATOM 689 CB ALA A 46 19.359 19.554 -8.742 1.00 0.00 C ATOM 0 H ALA A 46 20.843 21.390 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 46 20.001 19.224 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.682 18.700 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.318 19.265 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.929 20.368 -8.159 1.00 0.00 H new ATOM 695 N ILE A 47 17.744 21.613 -10.381 1.00 0.00 N ATOM 696 CA ILE A 47 16.469 22.134 -10.797 1.00 0.00 C ATOM 697 C ILE A 47 16.461 22.139 -12.326 1.00 0.00 C ATOM 698 O ILE A 47 15.512 21.659 -12.939 1.00 0.00 O ATOM 699 CB ILE A 47 16.299 23.550 -10.208 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.441 23.600 -8.666 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.950 24.125 -10.635 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.740 25.015 -8.157 1.00 0.00 C ATOM 0 H ILE A 47 18.270 22.253 -9.785 1.00 0.00 H new ATOM 0 HA ILE A 47 15.635 21.529 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 47 17.112 24.157 -10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.522 23.237 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.240 22.927 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.832 25.125 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.905 24.178 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.149 23.483 -10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.831 24.999 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.674 25.369 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.928 25.684 -8.444 1.00 0.00 H new ATOM 714 N ALA A 48 17.550 22.626 -12.933 1.00 0.00 N ATOM 715 CA ALA A 48 17.667 22.773 -14.368 1.00 0.00 C ATOM 716 C ALA A 48 17.561 21.434 -15.091 1.00 0.00 C ATOM 717 O ALA A 48 16.889 21.350 -16.112 1.00 0.00 O ATOM 718 CB ALA A 48 18.977 23.477 -14.721 1.00 0.00 C ATOM 0 H ALA A 48 18.380 22.930 -12.424 1.00 0.00 H new ATOM 0 HA ALA A 48 16.832 23.386 -14.707 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.054 23.582 -15.803 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.996 24.464 -14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.817 22.888 -14.353 1.00 0.00 H new ATOM 724 N MET A 49 18.181 20.383 -14.552 1.00 0.00 N ATOM 725 CA MET A 49 18.115 19.035 -15.126 1.00 0.00 C ATOM 726 C MET A 49 16.674 18.543 -15.221 1.00 0.00 C ATOM 727 O MET A 49 16.209 18.035 -16.252 1.00 0.00 O ATOM 728 CB MET A 49 18.916 18.056 -14.252 1.00 0.00 C ATOM 729 CG MET A 49 20.404 18.098 -14.551 1.00 0.00 C ATOM 730 SD MET A 49 20.794 17.705 -16.280 1.00 0.00 S ATOM 731 CE MET A 49 21.436 19.297 -16.872 1.00 0.00 C ATOM 0 H MET A 49 18.744 20.441 -13.704 1.00 0.00 H new ATOM 0 HA MET A 49 18.538 19.080 -16.129 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.752 18.294 -13.201 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.545 17.044 -14.411 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.788 19.090 -14.315 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.920 17.393 -13.899 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.253 19.387 -17.943 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.933 20.110 -16.348 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.508 19.351 -16.681 1.00 0.00 H new ATOM 741 N MET A 50 15.968 18.684 -14.110 1.00 0.00 N ATOM 742 CA MET A 50 14.603 18.228 -14.006 1.00 0.00 C ATOM 743 C MET A 50 13.724 19.100 -14.888 1.00 0.00 C ATOM 744 O MET A 50 12.859 18.564 -15.573 1.00 0.00 O ATOM 745 CB MET A 50 14.194 18.206 -12.534 1.00 0.00 C ATOM 746 CG MET A 50 15.085 17.184 -11.804 1.00 0.00 C ATOM 747 SD MET A 50 14.244 16.201 -10.545 1.00 0.00 S ATOM 748 CE MET A 50 13.140 15.233 -11.576 1.00 0.00 C ATOM 0 H MET A 50 16.330 19.117 -13.261 1.00 0.00 H new ATOM 0 HA MET A 50 14.486 17.207 -14.369 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.310 19.196 -12.092 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.143 17.934 -12.435 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.517 16.508 -12.542 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.913 17.716 -11.335 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.133 15.265 -11.161 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.130 15.645 -12.585 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.486 14.200 -11.610 1.00 0.00 H new ATOM 758 N GLU A 51 14.011 20.397 -14.984 1.00 0.00 N ATOM 759 CA GLU A 51 13.327 21.298 -15.898 1.00 0.00 C ATOM 760 C GLU A 51 13.547 20.891 -17.357 1.00 0.00 C ATOM 761 O GLU A 51 12.654 21.108 -18.178 1.00 0.00 O ATOM 762 CB GLU A 51 13.796 22.738 -15.652 1.00 0.00 C ATOM 763 CG GLU A 51 13.113 23.400 -14.441 1.00 0.00 C ATOM 764 CD GLU A 51 11.651 23.844 -14.681 1.00 0.00 C ATOM 765 OE1 GLU A 51 11.038 23.520 -15.724 1.00 0.00 O ATOM 766 OE2 GLU A 51 11.103 24.575 -13.824 1.00 0.00 O ATOM 0 H GLU A 51 14.731 20.852 -14.423 1.00 0.00 H new ATOM 0 HA GLU A 51 12.256 21.236 -15.706 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.875 22.741 -15.499 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.599 23.335 -16.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.133 22.702 -13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.698 24.270 -14.143 1.00 0.00 H new ATOM 773 N GLU A 52 14.678 20.257 -17.691 1.00 0.00 N ATOM 774 CA GLU A 52 14.884 19.720 -19.032 1.00 0.00 C ATOM 775 C GLU A 52 13.876 18.610 -19.315 1.00 0.00 C ATOM 776 O GLU A 52 13.347 18.521 -20.425 1.00 0.00 O ATOM 777 CB GLU A 52 16.294 19.163 -19.280 1.00 0.00 C ATOM 778 CG GLU A 52 17.454 20.113 -18.950 1.00 0.00 C ATOM 779 CD GLU A 52 18.668 19.905 -19.875 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.278 18.810 -19.841 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.011 20.830 -20.646 1.00 0.00 O ATOM 0 H GLU A 52 15.458 20.106 -17.051 1.00 0.00 H new ATOM 0 HA GLU A 52 14.748 20.568 -19.704 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.414 18.254 -18.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.372 18.875 -20.328 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.110 21.144 -19.034 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.760 19.962 -17.915 1.00 0.00 H new ATOM 788 N VAL A 53 13.601 17.770 -18.312 1.00 0.00 N ATOM 789 CA VAL A 53 12.631 16.680 -18.472 1.00 0.00 C ATOM 790 C VAL A 53 11.187 17.213 -18.367 1.00 0.00 C ATOM 791 O VAL A 53 10.271 16.614 -18.935 1.00 0.00 O ATOM 792 CB VAL A 53 12.958 15.545 -17.479 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.015 14.337 -17.599 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.388 15.033 -17.732 1.00 0.00 C ATOM 0 H VAL A 53 14.031 17.822 -17.389 1.00 0.00 H new ATOM 0 HA VAL A 53 12.708 16.251 -19.471 1.00 0.00 H new ATOM 0 HB VAL A 53 12.842 15.975 -16.484 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.302 13.577 -16.872 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.990 14.655 -17.406 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.083 13.921 -18.604 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.617 14.231 -17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.464 14.655 -18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.097 15.850 -17.594 1.00 0.00 H new ATOM 804 N GLY A 54 10.978 18.351 -17.699 1.00 0.00 N ATOM 805 CA GLY A 54 9.672 18.973 -17.495 1.00 0.00 C ATOM 806 C GLY A 54 9.180 18.808 -16.054 1.00 0.00 C ATOM 807 O GLY A 54 7.970 18.804 -15.816 1.00 0.00 O ATOM 0 H GLY A 54 11.739 18.880 -17.273 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.733 20.034 -17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.948 18.530 -18.179 1.00 0.00 H new ATOM 811 N ILE A 55 10.102 18.631 -15.104 1.00 0.00 N ATOM 812 CA ILE A 55 9.839 18.441 -13.675 1.00 0.00 C ATOM 813 C ILE A 55 10.602 19.559 -12.927 1.00 0.00 C ATOM 814 O ILE A 55 11.218 20.422 -13.553 1.00 0.00 O ATOM 815 CB ILE A 55 10.226 16.987 -13.282 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.566 15.910 -14.186 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.865 16.636 -11.822 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.453 14.670 -14.297 1.00 0.00 C ATOM 0 H ILE A 55 11.099 18.616 -15.320 1.00 0.00 H new ATOM 0 HA ILE A 55 8.788 18.535 -13.403 1.00 0.00 H new ATOM 0 HB ILE A 55 11.308 16.970 -13.414 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.595 15.632 -13.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.387 16.323 -15.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.161 15.608 -11.611 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.389 17.311 -11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.790 16.741 -11.678 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.968 13.932 -14.935 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.414 14.948 -14.729 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.610 14.245 -13.306 1.00 0.00 H new ATOM 830 N ASP A 56 10.558 19.593 -11.595 1.00 0.00 N ATOM 831 CA ASP A 56 11.174 20.628 -10.765 1.00 0.00 C ATOM 832 C ASP A 56 11.632 20.025 -9.434 1.00 0.00 C ATOM 833 O ASP A 56 11.073 19.020 -8.988 1.00 0.00 O ATOM 834 CB ASP A 56 10.143 21.736 -10.493 1.00 0.00 C ATOM 835 CG ASP A 56 10.632 22.697 -9.404 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.717 23.294 -9.582 1.00 0.00 O ATOM 837 OD2 ASP A 56 9.990 22.788 -8.336 1.00 0.00 O ATOM 0 H ASP A 56 10.078 18.879 -11.047 1.00 0.00 H new ATOM 0 HA ASP A 56 12.037 21.043 -11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.952 22.291 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.197 21.288 -10.188 1.00 0.00 H new ATOM 842 N ILE A 57 12.615 20.666 -8.790 1.00 0.00 N ATOM 843 CA ILE A 57 13.030 20.372 -7.419 1.00 0.00 C ATOM 844 C ILE A 57 13.106 21.637 -6.551 1.00 0.00 C ATOM 845 O ILE A 57 13.115 21.512 -5.330 1.00 0.00 O ATOM 846 CB ILE A 57 14.358 19.588 -7.337 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.860 18.951 -8.641 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.213 18.513 -6.251 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.200 18.246 -8.428 1.00 0.00 C ATOM 0 H ILE A 57 13.153 21.419 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 57 12.248 19.726 -7.020 1.00 0.00 H new ATOM 0 HB ILE A 57 15.122 20.328 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.123 18.236 -9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.967 19.719 -9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.140 17.945 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.999 18.989 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.396 17.840 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.532 17.804 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.941 18.968 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.084 17.462 -7.679 1.00 0.00 H new ATOM 861 N SER A 58 13.133 22.840 -7.134 1.00 0.00 N ATOM 862 CA SER A 58 13.149 24.099 -6.384 1.00 0.00 C ATOM 863 C SER A 58 12.019 24.175 -5.336 1.00 0.00 C ATOM 864 O SER A 58 12.194 24.789 -4.281 1.00 0.00 O ATOM 865 CB SER A 58 13.090 25.293 -7.350 1.00 0.00 C ATOM 866 OG SER A 58 11.886 25.371 -8.083 1.00 0.00 O ATOM 0 H SER A 58 13.144 22.968 -8.146 1.00 0.00 H new ATOM 0 HA SER A 58 14.087 24.139 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.220 26.215 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.926 25.227 -8.047 1.00 0.00 H new ATOM 0 HG SER A 58 11.937 24.776 -8.860 1.00 0.00 H new ATOM 872 N GLY A 59 10.871 23.540 -5.611 1.00 0.00 N ATOM 873 CA GLY A 59 9.687 23.558 -4.763 1.00 0.00 C ATOM 874 C GLY A 59 9.758 22.614 -3.558 1.00 0.00 C ATOM 875 O GLY A 59 8.854 22.658 -2.721 1.00 0.00 O ATOM 0 H GLY A 59 10.744 22.985 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.527 24.575 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.819 23.293 -5.366 1.00 0.00 H new ATOM 879 N GLN A 60 10.796 21.777 -3.440 1.00 0.00 N ATOM 880 CA GLN A 60 11.007 20.857 -2.334 1.00 0.00 C ATOM 881 C GLN A 60 12.393 21.065 -1.708 1.00 0.00 C ATOM 882 O GLN A 60 13.237 21.775 -2.259 1.00 0.00 O ATOM 883 CB GLN A 60 10.746 19.415 -2.808 1.00 0.00 C ATOM 884 CG GLN A 60 11.782 18.841 -3.787 1.00 0.00 C ATOM 885 CD GLN A 60 11.551 17.364 -4.117 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.425 16.908 -4.310 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.617 16.587 -4.207 1.00 0.00 N ATOM 0 H GLN A 60 11.534 21.726 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 60 10.295 21.060 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.701 18.766 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.765 19.379 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.759 19.420 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.778 18.959 -3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.546 16.975 -4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.510 15.599 -4.438 1.00 0.00 H new ATOM 896 N THR A 61 12.625 20.454 -0.547 1.00 0.00 N ATOM 897 CA THR A 61 13.809 20.682 0.274 1.00 0.00 C ATOM 898 C THR A 61 14.500 19.363 0.636 1.00 0.00 C ATOM 899 O THR A 61 13.986 18.269 0.374 1.00 0.00 O ATOM 900 CB THR A 61 13.402 21.494 1.521 1.00 0.00 C ATOM 901 OG1 THR A 61 12.276 20.928 2.174 1.00 0.00 O ATOM 902 CG2 THR A 61 13.019 22.919 1.120 1.00 0.00 C ATOM 0 H THR A 61 11.981 19.773 -0.144 1.00 0.00 H new ATOM 0 HA THR A 61 14.542 21.258 -0.291 1.00 0.00 H new ATOM 0 HB THR A 61 14.260 21.486 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.048 21.468 2.960 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.734 23.483 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.870 23.403 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.180 22.888 0.425 1.00 0.00 H new ATOM 910 N SER A 62 15.689 19.475 1.222 1.00 0.00 N ATOM 911 CA SER A 62 16.476 18.368 1.737 1.00 0.00 C ATOM 912 C SER A 62 16.059 18.015 3.168 1.00 0.00 C ATOM 913 O SER A 62 15.396 18.805 3.849 1.00 0.00 O ATOM 914 CB SER A 62 17.952 18.762 1.637 1.00 0.00 C ATOM 915 OG SER A 62 18.173 20.114 1.997 1.00 0.00 O ATOM 0 H SER A 62 16.145 20.378 1.354 1.00 0.00 H new ATOM 0 HA SER A 62 16.304 17.466 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.543 18.115 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.301 18.598 0.618 1.00 0.00 H new ATOM 0 HG SER A 62 19.077 20.381 1.728 1.00 0.00 H new ATOM 921 N ASP A 63 16.445 16.819 3.622 1.00 0.00 N ATOM 922 CA ASP A 63 16.105 16.304 4.949 1.00 0.00 C ATOM 923 C ASP A 63 17.116 15.219 5.348 1.00 0.00 C ATOM 924 O ASP A 63 17.596 14.507 4.460 1.00 0.00 O ATOM 925 CB ASP A 63 14.678 15.729 4.915 1.00 0.00 C ATOM 926 CG ASP A 63 13.960 15.905 6.258 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.773 17.059 6.707 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.535 14.893 6.847 1.00 0.00 O ATOM 0 H ASP A 63 17.010 16.174 3.070 1.00 0.00 H new ATOM 0 HA ASP A 63 16.145 17.106 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.106 16.223 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.719 14.670 4.661 1.00 0.00 H new ATOM 933 N PRO A 64 17.496 15.080 6.630 1.00 0.00 N ATOM 934 CA PRO A 64 18.481 14.088 7.047 1.00 0.00 C ATOM 935 C PRO A 64 17.834 12.705 7.204 1.00 0.00 C ATOM 936 O PRO A 64 16.650 12.588 7.526 1.00 0.00 O ATOM 937 CB PRO A 64 19.016 14.615 8.381 1.00 0.00 C ATOM 938 CG PRO A 64 17.808 15.326 8.988 1.00 0.00 C ATOM 939 CD PRO A 64 17.079 15.892 7.767 1.00 0.00 C ATOM 0 HA PRO A 64 19.277 13.957 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.370 13.806 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.854 15.297 8.237 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.177 14.637 9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.110 16.115 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.999 15.845 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.336 16.940 7.612 1.00 0.00 H new ATOM 947 N ILE A 65 18.636 11.646 7.044 1.00 0.00 N ATOM 948 CA ILE A 65 18.207 10.260 7.260 1.00 0.00 C ATOM 949 C ILE A 65 17.618 10.076 8.665 1.00 0.00 C ATOM 950 O ILE A 65 16.665 9.322 8.862 1.00 0.00 O ATOM 951 CB ILE A 65 19.378 9.303 6.974 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.837 7.866 6.878 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.549 9.425 7.973 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.908 6.906 6.375 1.00 0.00 C ATOM 0 H ILE A 65 19.612 11.729 6.758 1.00 0.00 H new ATOM 0 HA ILE A 65 17.405 10.017 6.563 1.00 0.00 H new ATOM 0 HB ILE A 65 19.817 9.592 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.485 7.541 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.979 7.842 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.333 8.718 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.949 10.439 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.193 9.205 8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.496 5.899 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.241 7.219 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.755 6.913 7.062 1.00 0.00 H new ATOM 966 N GLU A 66 18.173 10.819 9.629 1.00 0.00 N ATOM 967 CA GLU A 66 17.872 10.752 11.052 1.00 0.00 C ATOM 968 C GLU A 66 16.385 10.998 11.348 1.00 0.00 C ATOM 969 O GLU A 66 15.887 10.583 12.396 1.00 0.00 O ATOM 970 CB GLU A 66 18.733 11.792 11.799 1.00 0.00 C ATOM 971 CG GLU A 66 20.227 11.793 11.420 1.00 0.00 C ATOM 972 CD GLU A 66 21.063 12.578 12.447 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.091 13.829 12.393 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.712 11.952 13.317 1.00 0.00 O ATOM 0 H GLU A 66 18.883 11.520 9.419 1.00 0.00 H new ATOM 0 HA GLU A 66 18.105 9.744 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.324 12.784 11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.645 11.612 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.590 10.767 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.353 12.234 10.431 1.00 0.00 H new ATOM 981 N ASN A 67 15.677 11.682 10.441 1.00 0.00 N ATOM 982 CA ASN A 67 14.283 12.069 10.622 1.00 0.00 C ATOM 983 C ASN A 67 13.298 10.961 10.211 1.00 0.00 C ATOM 984 O ASN A 67 12.090 11.127 10.393 1.00 0.00 O ATOM 985 CB ASN A 67 14.033 13.359 9.830 1.00 0.00 C ATOM 986 CG ASN A 67 12.691 14.012 10.154 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.220 14.012 11.290 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.072 14.628 9.166 1.00 0.00 N ATOM 0 H ASN A 67 16.068 11.984 9.549 1.00 0.00 H new ATOM 0 HA ASN A 67 14.104 12.238 11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.835 14.067 10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.074 13.137 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.191 15.112 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.474 14.620 8.229 1.00 0.00 H new ATOM 995 N PHE A 68 13.769 9.825 9.678 1.00 0.00 N ATOM 996 CA PHE A 68 12.936 8.723 9.223 1.00 0.00 C ATOM 997 C PHE A 68 13.347 7.412 9.903 1.00 0.00 C ATOM 998 O PHE A 68 14.220 7.378 10.775 1.00 0.00 O ATOM 999 CB PHE A 68 13.076 8.590 7.703 1.00 0.00 C ATOM 1000 CG PHE A 68 12.792 9.838 6.898 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.484 10.109 6.462 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.841 10.718 6.570 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.218 11.278 5.727 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.578 11.874 5.820 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.265 12.160 5.405 1.00 0.00 C ATOM 0 H PHE A 68 14.766 9.651 9.552 1.00 0.00 H new ATOM 0 HA PHE A 68 11.898 8.928 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.091 8.261 7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.403 7.802 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.684 9.420 6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.848 10.503 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.209 11.499 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.384 12.545 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.061 13.057 4.839 1.00 0.00 H new ATOM 1015 N ASN A 69 12.721 6.320 9.463 1.00 0.00 N ATOM 1016 CA ASN A 69 12.974 4.946 9.869 1.00 0.00 C ATOM 1017 C ASN A 69 12.852 4.067 8.627 1.00 0.00 C ATOM 1018 O ASN A 69 11.845 4.123 7.919 1.00 0.00 O ATOM 1019 CB ASN A 69 11.991 4.481 10.970 1.00 0.00 C ATOM 1020 CG ASN A 69 10.551 4.998 10.869 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.949 5.358 11.877 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.965 5.077 9.685 1.00 0.00 N ATOM 0 H ASN A 69 11.976 6.381 8.769 1.00 0.00 H new ATOM 0 HA ASN A 69 13.973 4.869 10.298 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.963 3.391 10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.394 4.783 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.014 5.437 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.465 4.778 8.848 1.00 0.00 H new ATOM 1029 N ALA A 70 13.869 3.246 8.374 1.00 0.00 N ATOM 1030 CA ALA A 70 13.950 2.382 7.201 1.00 0.00 C ATOM 1031 C ALA A 70 12.780 1.408 7.110 1.00 0.00 C ATOM 1032 O ALA A 70 12.427 0.999 6.012 1.00 0.00 O ATOM 1033 CB ALA A 70 15.251 1.575 7.231 1.00 0.00 C ATOM 0 H ALA A 70 14.676 3.162 8.992 1.00 0.00 H new ATOM 0 HA ALA A 70 13.919 3.036 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.302 0.933 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.102 2.256 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.277 0.960 8.131 1.00 0.00 H new ATOM 1039 N ASP A 71 12.177 1.046 8.246 1.00 0.00 N ATOM 1040 CA ASP A 71 11.078 0.085 8.320 1.00 0.00 C ATOM 1041 C ASP A 71 9.861 0.522 7.498 1.00 0.00 C ATOM 1042 O ASP A 71 9.061 -0.316 7.082 1.00 0.00 O ATOM 1043 CB ASP A 71 10.679 -0.115 9.787 1.00 0.00 C ATOM 1044 CG ASP A 71 9.524 -1.120 9.935 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.742 -2.335 9.727 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.403 -0.709 10.313 1.00 0.00 O ATOM 0 H ASP A 71 12.446 1.421 9.156 1.00 0.00 H new ATOM 0 HA ASP A 71 11.428 -0.855 7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.541 -0.467 10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.385 0.842 10.217 1.00 0.00 H new ATOM 1051 N ASP A 72 9.722 1.828 7.238 1.00 0.00 N ATOM 1052 CA ASP A 72 8.608 2.379 6.489 1.00 0.00 C ATOM 1053 C ASP A 72 8.862 2.278 4.986 1.00 0.00 C ATOM 1054 O ASP A 72 7.927 2.401 4.203 1.00 0.00 O ATOM 1055 CB ASP A 72 8.368 3.831 6.917 1.00 0.00 C ATOM 1056 CG ASP A 72 7.086 4.426 6.315 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.003 3.810 6.432 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.130 5.567 5.802 1.00 0.00 O ATOM 0 H ASP A 72 10.392 2.531 7.549 1.00 0.00 H new ATOM 0 HA ASP A 72 7.710 1.800 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.309 3.879 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.221 4.439 6.616 1.00 0.00 H new ATOM 1063 N TYR A 73 10.105 2.015 4.570 1.00 0.00 N ATOM 1064 CA TYR A 73 10.554 2.027 3.200 1.00 0.00 C ATOM 1065 C TYR A 73 10.807 0.594 2.746 1.00 0.00 C ATOM 1066 O TYR A 73 11.606 -0.131 3.338 1.00 0.00 O ATOM 1067 CB TYR A 73 11.770 2.952 3.065 1.00 0.00 C ATOM 1068 CG TYR A 73 11.419 4.407 3.336 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.865 5.184 2.303 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.605 4.974 4.613 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.491 6.515 2.539 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.255 6.317 4.861 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.676 7.088 3.818 1.00 0.00 C ATOM 1074 OH TYR A 73 10.324 8.385 4.028 1.00 0.00 O ATOM 0 H TYR A 73 10.852 1.778 5.223 1.00 0.00 H new ATOM 0 HA TYR A 73 9.792 2.434 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.546 2.632 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.184 2.861 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.727 4.753 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.020 4.374 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.061 7.103 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.425 6.755 5.833 1.00 0.00 H new ATOM 0 HH TYR A 73 10.788 8.726 4.821 1.00 0.00 H new ATOM 1084 N ASP A 74 10.094 0.165 1.704 1.00 0.00 N ATOM 1085 CA ASP A 74 10.253 -1.179 1.157 1.00 0.00 C ATOM 1086 C ASP A 74 11.544 -1.274 0.347 1.00 0.00 C ATOM 1087 O ASP A 74 12.187 -2.324 0.318 1.00 0.00 O ATOM 1088 CB ASP A 74 9.061 -1.541 0.268 1.00 0.00 C ATOM 1089 CG ASP A 74 9.052 -3.048 -0.041 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.665 -3.829 0.855 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.345 -3.444 -1.191 1.00 0.00 O ATOM 0 H ASP A 74 9.398 0.733 1.221 1.00 0.00 H new ATOM 0 HA ASP A 74 10.301 -1.882 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.132 -1.261 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.109 -0.974 -0.662 1.00 0.00 H new ATOM 1096 N VAL A 75 11.953 -0.160 -0.268 1.00 0.00 N ATOM 1097 CA VAL A 75 13.087 -0.123 -1.184 1.00 0.00 C ATOM 1098 C VAL A 75 13.997 1.038 -0.804 1.00 0.00 C ATOM 1099 O VAL A 75 13.530 2.167 -0.640 1.00 0.00 O ATOM 1100 CB VAL A 75 12.606 -0.129 -2.661 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.166 0.327 -2.937 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.590 0.532 -3.636 1.00 0.00 C ATOM 0 H VAL A 75 11.501 0.745 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 75 13.691 -1.026 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 75 12.587 -1.201 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.966 0.272 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.471 -0.322 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.038 1.354 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.185 0.489 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.742 1.573 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.543 0.004 -3.605 1.00 0.00 H new ATOM 1112 N VAL A 76 15.297 0.761 -0.675 1.00 0.00 N ATOM 1113 CA VAL A 76 16.281 1.713 -0.205 1.00 0.00 C ATOM 1114 C VAL A 76 17.447 1.790 -1.198 1.00 0.00 C ATOM 1115 O VAL A 76 18.190 0.838 -1.455 1.00 0.00 O ATOM 1116 CB VAL A 76 16.689 1.356 1.236 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.613 1.830 2.222 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.922 -0.139 1.485 1.00 0.00 C ATOM 0 H VAL A 76 15.693 -0.151 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 76 15.866 2.720 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 76 17.641 1.864 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.912 1.572 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.496 2.911 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.666 1.344 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.205 -0.295 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.006 -0.690 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.720 -0.496 0.835 1.00 0.00 H new ATOM 1128 N ILE A 77 17.584 2.964 -1.796 1.00 0.00 N ATOM 1129 CA ILE A 77 18.546 3.242 -2.835 1.00 0.00 C ATOM 1130 C ILE A 77 19.578 4.170 -2.236 1.00 0.00 C ATOM 1131 O ILE A 77 19.343 5.360 -2.043 1.00 0.00 O ATOM 1132 CB ILE A 77 17.840 3.840 -4.064 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.814 2.872 -4.692 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.871 4.300 -5.104 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.378 1.507 -5.104 1.00 0.00 C ATOM 0 H ILE A 77 17.007 3.771 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 77 19.041 2.338 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 77 17.276 4.706 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.004 2.714 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.378 3.348 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.355 4.720 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.519 5.058 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.473 3.448 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.582 0.899 -5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.167 1.647 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.787 1.003 -4.228 1.00 0.00 H new ATOM 1147 N SER A 78 20.716 3.606 -1.884 1.00 0.00 N ATOM 1148 CA SER A 78 21.859 4.409 -1.536 1.00 0.00 C ATOM 1149 C SER A 78 22.382 5.007 -2.842 1.00 0.00 C ATOM 1150 O SER A 78 22.173 4.479 -3.940 1.00 0.00 O ATOM 1151 CB SER A 78 22.896 3.511 -0.892 1.00 0.00 C ATOM 1152 OG SER A 78 24.062 4.194 -0.490 1.00 0.00 O ATOM 0 H SER A 78 20.869 2.599 -1.833 1.00 0.00 H new ATOM 0 HA SER A 78 21.615 5.205 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.453 3.023 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.170 2.724 -1.595 1.00 0.00 H new ATOM 0 HG SER A 78 24.789 3.996 -1.116 1.00 0.00 H new ATOM 1158 N LEU A 79 23.070 6.129 -2.724 1.00 0.00 N ATOM 1159 CA LEU A 79 23.803 6.785 -3.789 1.00 0.00 C ATOM 1160 C LEU A 79 24.910 7.560 -3.084 1.00 0.00 C ATOM 1161 O LEU A 79 25.080 8.766 -3.266 1.00 0.00 O ATOM 1162 CB LEU A 79 22.901 7.595 -4.763 1.00 0.00 C ATOM 1163 CG LEU A 79 21.390 7.713 -4.448 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.190 8.846 -3.460 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.570 8.003 -5.708 1.00 0.00 C ATOM 0 H LEU A 79 23.135 6.631 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 79 24.244 6.077 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.306 8.605 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.999 7.149 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 79 21.049 6.764 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.130 8.943 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.744 8.634 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.552 9.777 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.515 8.079 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.902 8.942 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.708 7.195 -6.426 1.00 0.00 H new ATOM 1177 N CYS A 80 25.647 6.863 -2.210 1.00 0.00 N ATOM 1178 CA CYS A 80 26.817 7.408 -1.530 1.00 0.00 C ATOM 1179 C CYS A 80 27.939 7.715 -2.530 1.00 0.00 C ATOM 1180 O CYS A 80 28.798 8.549 -2.249 1.00 0.00 O ATOM 1181 CB CYS A 80 27.290 6.456 -0.427 1.00 0.00 C ATOM 1182 SG CYS A 80 26.051 6.386 0.901 1.00 0.00 S ATOM 0 H CYS A 80 25.442 5.897 -1.956 1.00 0.00 H new ATOM 0 HA CYS A 80 26.535 8.349 -1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.452 5.460 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 80 28.246 6.795 -0.027 1.00 0.00 H new ATOM 0 HG CYS A 80 25.112 5.549 0.574 1.00 0.00 H new ATOM 1188 N GLY A 81 27.896 7.130 -3.726 1.00 0.00 N ATOM 1189 CA GLY A 81 28.744 7.475 -4.860 1.00 0.00 C ATOM 1190 C GLY A 81 30.024 6.659 -4.827 1.00 0.00 C ATOM 1191 O GLY A 81 30.218 5.793 -5.678 1.00 0.00 O ATOM 0 H GLY A 81 27.244 6.374 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.210 7.289 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.982 8.538 -4.835 1.00 0.00 H new ATOM 1195 N CYS A 82 30.853 6.855 -3.800 1.00 0.00 N ATOM 1196 CA CYS A 82 32.181 6.243 -3.680 1.00 0.00 C ATOM 1197 C CYS A 82 32.143 4.755 -3.282 1.00 0.00 C ATOM 1198 O CYS A 82 33.101 4.229 -2.714 1.00 0.00 O ATOM 1199 CB CYS A 82 33.028 7.070 -2.696 1.00 0.00 C ATOM 1200 SG CYS A 82 33.028 8.834 -3.149 1.00 0.00 S ATOM 0 H CYS A 82 30.616 7.456 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 82 32.641 6.257 -4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.636 6.951 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.051 6.694 -2.687 1.00 0.00 H new ATOM 0 HG CYS A 82 33.749 9.501 -2.297 1.00 0.00 H new ATOM 1206 N GLY A 83 31.018 4.089 -3.537 1.00 0.00 N ATOM 1207 CA GLY A 83 30.751 2.695 -3.198 1.00 0.00 C ATOM 1208 C GLY A 83 30.697 2.432 -1.692 1.00 0.00 C ATOM 1209 O GLY A 83 30.806 1.283 -1.258 1.00 0.00 O ATOM 0 H GLY A 83 30.229 4.531 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.803 2.396 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.524 2.067 -3.641 1.00 0.00 H new ATOM 1213 N VAL A 84 30.545 3.490 -0.894 1.00 0.00 N ATOM 1214 CA VAL A 84 30.262 3.420 0.526 1.00 0.00 C ATOM 1215 C VAL A 84 28.815 2.926 0.677 1.00 0.00 C ATOM 1216 O VAL A 84 28.025 2.955 -0.271 1.00 0.00 O ATOM 1217 CB VAL A 84 30.579 4.782 1.177 1.00 0.00 C ATOM 1218 CG1 VAL A 84 30.249 4.874 2.675 1.00 0.00 C ATOM 1219 CG2 VAL A 84 32.070 5.130 1.007 1.00 0.00 C ATOM 0 H VAL A 84 30.619 4.448 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 84 30.892 2.710 1.061 1.00 0.00 H new ATOM 0 HB VAL A 84 29.932 5.487 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 84 30.506 5.867 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 84 29.184 4.695 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.823 4.125 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 84 32.274 6.094 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.680 4.361 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.313 5.181 -0.054 1.00 0.00 H new ATOM 1229 N ASN A 85 28.476 2.443 1.867 1.00 0.00 N ATOM 1230 CA ASN A 85 27.195 1.816 2.165 1.00 0.00 C ATOM 1231 C ASN A 85 26.682 2.333 3.507 1.00 0.00 C ATOM 1232 O ASN A 85 27.410 2.991 4.253 1.00 0.00 O ATOM 1233 CB ASN A 85 27.359 0.285 2.146 1.00 0.00 C ATOM 1234 CG ASN A 85 26.083 -0.416 1.693 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.999 -0.150 2.195 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.172 -1.296 0.712 1.00 0.00 N ATOM 0 H ASN A 85 29.102 2.478 2.672 1.00 0.00 H new ATOM 0 HA ASN A 85 26.453 2.073 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.178 0.016 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.631 -0.064 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.333 -1.761 0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 85 27.080 -1.511 0.300 1.00 0.00 H new ATOM 1243 N LEU A 86 25.418 2.052 3.796 1.00 0.00 N ATOM 1244 CA LEU A 86 24.671 2.543 4.938 1.00 0.00 C ATOM 1245 C LEU A 86 24.869 1.531 6.073 1.00 0.00 C ATOM 1246 O LEU A 86 24.391 0.403 5.944 1.00 0.00 O ATOM 1247 CB LEU A 86 23.183 2.676 4.535 1.00 0.00 C ATOM 1248 CG LEU A 86 22.918 3.462 3.230 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.414 3.542 2.959 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.505 4.877 3.245 1.00 0.00 C ATOM 0 H LEU A 86 24.858 1.440 3.203 1.00 0.00 H new ATOM 0 HA LEU A 86 25.012 3.524 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.762 1.676 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.646 3.164 5.348 1.00 0.00 H new ATOM 0 HG LEU A 86 23.421 2.912 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.239 4.098 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.008 2.535 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.921 4.050 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.283 5.373 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.065 5.445 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.585 4.821 3.381 1.00 0.00 H new ATOM 1262 N PRO A 87 25.564 1.871 7.176 1.00 0.00 N ATOM 1263 CA PRO A 87 25.609 0.998 8.341 1.00 0.00 C ATOM 1264 C PRO A 87 24.232 0.700 8.981 1.00 0.00 C ATOM 1265 O PRO A 87 24.074 -0.432 9.451 1.00 0.00 O ATOM 1266 CB PRO A 87 26.603 1.630 9.322 1.00 0.00 C ATOM 1267 CG PRO A 87 26.778 3.075 8.856 1.00 0.00 C ATOM 1268 CD PRO A 87 26.382 3.060 7.380 1.00 0.00 C ATOM 0 HA PRO A 87 25.939 0.006 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 87 26.224 1.591 10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 87 27.554 1.098 9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 87 26.146 3.754 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.807 3.411 8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.826 3.961 7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 87 27.266 3.035 6.743 1.00 0.00 H new ATOM 1276 N PRO A 88 23.241 1.622 9.050 1.00 0.00 N ATOM 1277 CA PRO A 88 21.958 1.319 9.690 1.00 0.00 C ATOM 1278 C PRO A 88 21.051 0.417 8.832 1.00 0.00 C ATOM 1279 O PRO A 88 21.382 0.058 7.704 1.00 0.00 O ATOM 1280 CB PRO A 88 21.332 2.686 9.994 1.00 0.00 C ATOM 1281 CG PRO A 88 21.890 3.583 8.894 1.00 0.00 C ATOM 1282 CD PRO A 88 23.294 3.047 8.717 1.00 0.00 C ATOM 0 HA PRO A 88 22.097 0.734 10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.243 2.645 9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.611 3.044 10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.308 3.509 7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.890 4.633 9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.639 3.193 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.994 3.571 9.367 1.00 0.00 H new ATOM 1290 N GLU A 89 19.868 0.092 9.365 1.00 0.00 N ATOM 1291 CA GLU A 89 18.833 -0.804 8.825 1.00 0.00 C ATOM 1292 C GLU A 89 18.353 -0.487 7.401 1.00 0.00 C ATOM 1293 O GLU A 89 17.658 -1.276 6.759 1.00 0.00 O ATOM 1294 CB GLU A 89 17.629 -0.831 9.776 1.00 0.00 C ATOM 1295 CG GLU A 89 17.070 0.541 10.201 1.00 0.00 C ATOM 1296 CD GLU A 89 17.585 0.998 11.580 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.815 1.132 11.761 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.758 1.234 12.491 1.00 0.00 O ATOM 0 H GLU A 89 19.583 0.482 10.263 1.00 0.00 H new ATOM 0 HA GLU A 89 19.314 -1.779 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.828 -1.395 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.914 -1.379 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.341 1.286 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.981 0.493 10.223 1.00 0.00 H new ATOM 1305 N TRP A 90 18.742 0.665 6.884 1.00 0.00 N ATOM 1306 CA TRP A 90 18.599 1.079 5.497 1.00 0.00 C ATOM 1307 C TRP A 90 19.404 0.191 4.528 1.00 0.00 C ATOM 1308 O TRP A 90 19.455 0.492 3.339 1.00 0.00 O ATOM 1309 CB TRP A 90 19.006 2.550 5.373 1.00 0.00 C ATOM 1310 CG TRP A 90 18.266 3.500 6.262 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.561 3.769 7.550 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.063 4.273 5.980 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.703 4.711 8.056 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.719 5.027 7.143 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.201 4.366 4.871 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.585 5.846 7.191 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.031 5.141 4.928 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.729 5.887 6.077 1.00 0.00 C ATOM 0 H TRP A 90 19.193 1.380 7.454 1.00 0.00 H new ATOM 0 HA TRP A 90 17.554 0.961 5.210 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.071 2.634 5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.864 2.862 4.338 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.363 3.306 8.106 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.782 5.124 8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.443 3.834 3.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.371 6.437 8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.360 5.163 4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.836 6.494 6.106 1.00 0.00 H new ATOM 1329 N VAL A 91 20.019 -0.898 5.003 1.00 0.00 N ATOM 1330 CA VAL A 91 20.673 -1.915 4.191 1.00 0.00 C ATOM 1331 C VAL A 91 20.001 -3.294 4.362 1.00 0.00 C ATOM 1332 O VAL A 91 20.437 -4.265 3.743 1.00 0.00 O ATOM 1333 CB VAL A 91 22.195 -1.867 4.464 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.597 -2.510 5.802 1.00 0.00 C ATOM 1335 CG2 VAL A 91 23.026 -2.482 3.330 1.00 0.00 C ATOM 0 H VAL A 91 20.074 -1.097 6.002 1.00 0.00 H new ATOM 0 HA VAL A 91 20.548 -1.708 3.128 1.00 0.00 H new ATOM 0 HB VAL A 91 22.422 -0.802 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.677 -2.441 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.102 -1.987 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.297 -3.558 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 91 24.085 -2.419 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.746 -3.527 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.838 -1.937 2.405 1.00 0.00 H new ATOM 1345 N THR A 92 18.923 -3.403 5.153 1.00 0.00 N ATOM 1346 CA THR A 92 18.291 -4.675 5.510 1.00 0.00 C ATOM 1347 C THR A 92 16.779 -4.675 5.227 1.00 0.00 C ATOM 1348 O THR A 92 16.022 -5.439 5.830 1.00 0.00 O ATOM 1349 CB THR A 92 18.664 -5.048 6.963 1.00 0.00 C ATOM 1350 OG1 THR A 92 18.391 -3.988 7.861 1.00 0.00 O ATOM 1351 CG2 THR A 92 20.156 -5.363 7.112 1.00 0.00 C ATOM 0 H THR A 92 18.461 -2.594 5.568 1.00 0.00 H new ATOM 0 HA THR A 92 18.681 -5.463 4.866 1.00 0.00 H new ATOM 0 HB THR A 92 18.060 -5.925 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.019 -3.228 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.372 -5.620 8.149 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.416 -6.203 6.468 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.743 -4.490 6.825 1.00 0.00 H new ATOM 1359 N GLN A 93 16.337 -3.821 4.299 1.00 0.00 N ATOM 1360 CA GLN A 93 14.973 -3.847 3.766 1.00 0.00 C ATOM 1361 C GLN A 93 14.929 -4.761 2.527 1.00 0.00 C ATOM 1362 O GLN A 93 15.927 -5.400 2.181 1.00 0.00 O ATOM 1363 CB GLN A 93 14.468 -2.424 3.468 1.00 0.00 C ATOM 1364 CG GLN A 93 14.656 -1.423 4.620 1.00 0.00 C ATOM 1365 CD GLN A 93 14.083 -1.933 5.947 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.928 -2.342 6.047 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.894 -1.966 6.992 1.00 0.00 N ATOM 0 H GLN A 93 16.920 -3.088 3.894 1.00 0.00 H new ATOM 0 HA GLN A 93 14.295 -4.259 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.987 -2.046 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.408 -2.474 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.719 -1.214 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.174 -0.481 4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.852 -1.626 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.561 -2.332 7.884 1.00 0.00 H new ATOM 1376 N GLU A 94 13.770 -4.850 1.869 1.00 0.00 N ATOM 1377 CA GLU A 94 13.521 -5.831 0.816 1.00 0.00 C ATOM 1378 C GLU A 94 14.378 -5.612 -0.433 1.00 0.00 C ATOM 1379 O GLU A 94 14.748 -6.590 -1.087 1.00 0.00 O ATOM 1380 CB GLU A 94 12.031 -5.841 0.440 1.00 0.00 C ATOM 1381 CG GLU A 94 11.114 -6.341 1.567 1.00 0.00 C ATOM 1382 CD GLU A 94 11.416 -7.792 1.987 1.00 0.00 C ATOM 1383 OE1 GLU A 94 11.043 -8.735 1.252 1.00 0.00 O ATOM 1384 OE2 GLU A 94 12.010 -8.008 3.067 1.00 0.00 O ATOM 0 H GLU A 94 12.975 -4.239 2.055 1.00 0.00 H new ATOM 0 HA GLU A 94 13.808 -6.800 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.729 -4.832 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.891 -6.472 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.222 -5.688 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.076 -6.271 1.242 1.00 0.00 H new ATOM 1391 N ILE A 95 14.716 -4.363 -0.761 1.00 0.00 N ATOM 1392 CA ILE A 95 15.487 -4.017 -1.953 1.00 0.00 C ATOM 1393 C ILE A 95 16.555 -3.028 -1.501 1.00 0.00 C ATOM 1394 O ILE A 95 16.215 -2.052 -0.830 1.00 0.00 O ATOM 1395 CB ILE A 95 14.539 -3.434 -3.015 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.604 -4.563 -3.510 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.309 -2.762 -4.175 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.791 -4.204 -4.747 1.00 0.00 C ATOM 0 H ILE A 95 14.457 -3.554 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 95 15.970 -4.879 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 95 13.939 -2.641 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.204 -5.447 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.920 -4.832 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.599 -2.365 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.921 -1.949 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.951 -3.498 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.163 -5.049 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.162 -3.340 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.466 -3.965 -5.569 1.00 0.00 H new ATOM 1410 N PHE A 96 17.812 -3.242 -1.903 1.00 0.00 N ATOM 1411 CA PHE A 96 18.908 -2.330 -1.661 1.00 0.00 C ATOM 1412 C PHE A 96 19.788 -2.276 -2.905 1.00 0.00 C ATOM 1413 O PHE A 96 20.092 -3.317 -3.494 1.00 0.00 O ATOM 1414 CB PHE A 96 19.756 -2.746 -0.445 1.00 0.00 C ATOM 1415 CG PHE A 96 20.957 -1.828 -0.266 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.814 -0.624 0.447 1.00 0.00 C ATOM 1417 CD2 PHE A 96 22.163 -2.088 -0.953 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.861 0.310 0.475 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.190 -1.126 -0.972 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.044 0.067 -0.244 1.00 0.00 C ATOM 0 H PHE A 96 18.091 -4.078 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 96 18.488 -1.348 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.141 -2.723 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.097 -3.774 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.895 -0.418 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.298 -3.029 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.757 1.218 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.088 -1.304 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.840 0.797 -0.237 1.00 0.00 H new ATOM 1430 N GLU A 97 20.226 -1.072 -3.261 1.00 0.00 N ATOM 1431 CA GLU A 97 21.258 -0.815 -4.260 1.00 0.00 C ATOM 1432 C GLU A 97 22.033 0.428 -3.821 1.00 0.00 C ATOM 1433 O GLU A 97 21.508 1.241 -3.064 1.00 0.00 O ATOM 1434 CB GLU A 97 20.653 -0.541 -5.649 1.00 0.00 C ATOM 1435 CG GLU A 97 20.259 -1.812 -6.406 1.00 0.00 C ATOM 1436 CD GLU A 97 19.765 -1.538 -7.839 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.301 -0.414 -8.138 1.00 0.00 O ATOM 1438 OE2 GLU A 97 19.802 -2.479 -8.667 1.00 0.00 O ATOM 0 H GLU A 97 19.858 -0.216 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 97 21.898 -1.694 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.773 0.092 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.373 0.019 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.117 -2.483 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.476 -2.329 -5.852 1.00 0.00 H new ATOM 1445 N ASP A 98 23.253 0.594 -4.338 1.00 0.00 N ATOM 1446 CA ASP A 98 24.049 1.819 -4.230 1.00 0.00 C ATOM 1447 C ASP A 98 24.380 2.310 -5.635 1.00 0.00 C ATOM 1448 O ASP A 98 25.071 1.621 -6.389 1.00 0.00 O ATOM 1449 CB ASP A 98 25.333 1.705 -3.397 1.00 0.00 C ATOM 1450 CG ASP A 98 26.008 3.092 -3.335 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.478 3.989 -2.636 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.040 3.293 -4.013 1.00 0.00 O ATOM 0 H ASP A 98 23.728 -0.143 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 98 23.432 2.531 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.101 1.352 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.009 0.975 -3.843 1.00 0.00 H new ATOM 1457 N TRP A 99 23.835 3.464 -6.018 1.00 0.00 N ATOM 1458 CA TRP A 99 24.008 4.040 -7.342 1.00 0.00 C ATOM 1459 C TRP A 99 25.275 4.889 -7.345 1.00 0.00 C ATOM 1460 O TRP A 99 25.277 6.039 -6.902 1.00 0.00 O ATOM 1461 CB TRP A 99 22.746 4.800 -7.779 1.00 0.00 C ATOM 1462 CG TRP A 99 21.473 4.002 -7.889 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.292 2.672 -7.682 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.153 4.515 -8.231 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.976 2.331 -7.920 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.210 3.441 -8.198 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.673 5.797 -8.566 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.841 3.646 -8.446 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.309 6.015 -8.815 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.405 4.945 -8.750 1.00 0.00 C ATOM 0 H TRP A 99 23.252 4.031 -5.403 1.00 0.00 H new ATOM 0 HA TRP A 99 24.139 3.256 -8.088 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.577 5.612 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.944 5.258 -8.748 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.065 1.982 -7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.616 1.377 -7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.365 6.624 -8.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.142 2.824 -8.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.956 7.007 -9.057 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.356 5.123 -8.937 1.00 0.00 H new ATOM 1481 N GLN A 100 26.367 4.288 -7.821 1.00 0.00 N ATOM 1482 CA GLN A 100 27.609 4.986 -8.108 1.00 0.00 C ATOM 1483 C GLN A 100 27.298 6.013 -9.201 1.00 0.00 C ATOM 1484 O GLN A 100 26.840 5.645 -10.285 1.00 0.00 O ATOM 1485 CB GLN A 100 28.670 3.954 -8.515 1.00 0.00 C ATOM 1486 CG GLN A 100 30.056 4.569 -8.773 1.00 0.00 C ATOM 1487 CD GLN A 100 31.160 3.613 -8.318 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.792 2.926 -9.118 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.386 3.530 -7.016 1.00 0.00 N ATOM 0 H GLN A 100 26.408 3.288 -8.019 1.00 0.00 H new ATOM 0 HA GLN A 100 28.013 5.518 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.755 3.203 -7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.337 3.438 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.171 4.788 -9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.145 5.516 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.851 4.108 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.095 2.888 -6.661 1.00 0.00 H new ATOM 1498 N LEU A 101 27.495 7.297 -8.896 1.00 0.00 N ATOM 1499 CA LEU A 101 27.063 8.430 -9.706 1.00 0.00 C ATOM 1500 C LEU A 101 28.045 9.572 -9.471 1.00 0.00 C ATOM 1501 O LEU A 101 28.603 9.696 -8.378 1.00 0.00 O ATOM 1502 CB LEU A 101 25.663 8.886 -9.248 1.00 0.00 C ATOM 1503 CG LEU A 101 24.482 7.990 -9.670 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.229 8.465 -8.931 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.248 7.968 -11.183 1.00 0.00 C ATOM 0 H LEU A 101 27.979 7.584 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 101 27.029 8.150 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.666 8.959 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.486 9.890 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 101 24.723 6.962 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.381 7.843 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.390 8.388 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.023 9.502 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.403 7.319 -11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.034 8.978 -11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.140 7.592 -11.684 1.00 0.00 H new ATOM 1517 N GLU A 102 28.223 10.424 -10.476 1.00 0.00 N ATOM 1518 CA GLU A 102 29.207 11.496 -10.520 1.00 0.00 C ATOM 1519 C GLU A 102 28.717 12.752 -9.803 1.00 0.00 C ATOM 1520 O GLU A 102 28.624 13.824 -10.395 1.00 0.00 O ATOM 1521 CB GLU A 102 29.674 11.754 -11.967 1.00 0.00 C ATOM 1522 CG GLU A 102 30.398 10.552 -12.595 1.00 0.00 C ATOM 1523 CD GLU A 102 29.498 9.363 -13.003 1.00 0.00 C ATOM 1524 OE1 GLU A 102 28.268 9.528 -13.174 1.00 0.00 O ATOM 1525 OE2 GLU A 102 30.040 8.245 -13.166 1.00 0.00 O ATOM 0 H GLU A 102 27.656 10.382 -11.323 1.00 0.00 H new ATOM 0 HA GLU A 102 30.087 11.174 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.810 12.010 -12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.340 12.617 -11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.935 10.897 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.145 10.192 -11.888 1.00 0.00 H new ATOM 1532 N ASP A 103 28.387 12.555 -8.523 1.00 0.00 N ATOM 1533 CA ASP A 103 28.005 13.532 -7.501 1.00 0.00 C ATOM 1534 C ASP A 103 27.921 14.987 -8.007 1.00 0.00 C ATOM 1535 O ASP A 103 28.925 15.706 -7.955 1.00 0.00 O ATOM 1536 CB ASP A 103 28.956 13.419 -6.306 1.00 0.00 C ATOM 1537 CG ASP A 103 28.711 14.531 -5.286 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.533 14.746 -4.923 1.00 0.00 O ATOM 1539 OD2 ASP A 103 29.678 15.078 -4.715 1.00 0.00 O ATOM 0 H ASP A 103 28.380 11.610 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 103 26.988 13.283 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.825 12.449 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.987 13.465 -6.655 1.00 0.00 H new ATOM 1544 N PRO A 104 26.772 15.403 -8.574 1.00 0.00 N ATOM 1545 CA PRO A 104 26.635 16.673 -9.279 1.00 0.00 C ATOM 1546 C PRO A 104 26.913 17.956 -8.484 1.00 0.00 C ATOM 1547 O PRO A 104 26.961 19.021 -9.097 1.00 0.00 O ATOM 1548 CB PRO A 104 25.241 16.687 -9.892 1.00 0.00 C ATOM 1549 CG PRO A 104 24.925 15.211 -10.060 1.00 0.00 C ATOM 1550 CD PRO A 104 25.652 14.534 -8.903 1.00 0.00 C ATOM 0 HA PRO A 104 27.431 16.704 -10.023 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.520 17.182 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.225 17.214 -10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.852 15.027 -10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.274 14.837 -11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.990 14.408 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.999 13.540 -9.187 1.00 0.00 H new ATOM 1558 N ASP A 105 27.109 17.907 -7.164 1.00 0.00 N ATOM 1559 CA ASP A 105 27.456 19.084 -6.366 1.00 0.00 C ATOM 1560 C ASP A 105 28.715 19.786 -6.901 1.00 0.00 C ATOM 1561 O ASP A 105 29.846 19.343 -6.688 1.00 0.00 O ATOM 1562 CB ASP A 105 27.584 18.732 -4.880 1.00 0.00 C ATOM 1563 CG ASP A 105 27.974 19.955 -4.023 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.070 20.690 -3.565 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.179 20.160 -3.756 1.00 0.00 O ATOM 0 H ASP A 105 27.031 17.049 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 105 26.636 19.796 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.638 18.326 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.333 17.950 -4.757 1.00 0.00 H new ATOM 1570 N GLY A 106 28.493 20.875 -7.639 1.00 0.00 N ATOM 1571 CA GLY A 106 29.496 21.817 -8.116 1.00 0.00 C ATOM 1572 C GLY A 106 30.033 21.479 -9.509 1.00 0.00 C ATOM 1573 O GLY A 106 31.116 21.956 -9.859 1.00 0.00 O ATOM 0 H GLY A 106 27.552 21.134 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.064 22.818 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.326 21.841 -7.410 1.00 0.00 H new ATOM 1577 N GLN A 107 29.330 20.651 -10.293 1.00 0.00 N ATOM 1578 CA GLN A 107 29.872 20.099 -11.535 1.00 0.00 C ATOM 1579 C GLN A 107 29.420 20.864 -12.785 1.00 0.00 C ATOM 1580 O GLN A 107 28.624 21.805 -12.721 1.00 0.00 O ATOM 1581 CB GLN A 107 29.495 18.617 -11.660 1.00 0.00 C ATOM 1582 CG GLN A 107 29.752 17.771 -10.410 1.00 0.00 C ATOM 1583 CD GLN A 107 31.209 17.470 -10.067 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.157 18.019 -10.625 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.402 16.547 -9.140 1.00 0.00 N ATOM 0 H GLN A 107 28.378 20.349 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 107 30.955 20.206 -11.478 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.437 18.548 -11.915 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.052 18.186 -12.492 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.301 18.279 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.229 16.822 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.603 16.103 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.350 16.279 -8.877 1.00 0.00 H new ATOM 1594 N SER A 108 29.944 20.428 -13.930 1.00 0.00 N ATOM 1595 CA SER A 108 29.620 20.920 -15.261 1.00 0.00 C ATOM 1596 C SER A 108 28.257 20.378 -15.705 1.00 0.00 C ATOM 1597 O SER A 108 27.855 19.295 -15.272 1.00 0.00 O ATOM 1598 CB SER A 108 30.714 20.410 -16.205 1.00 0.00 C ATOM 1599 OG SER A 108 31.999 20.825 -15.762 1.00 0.00 O ATOM 0 H SER A 108 30.641 19.684 -13.951 1.00 0.00 H new ATOM 0 HA SER A 108 29.570 22.009 -15.270 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.677 19.322 -16.257 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.534 20.784 -17.213 1.00 0.00 H new ATOM 0 HG SER A 108 32.682 20.487 -16.378 1.00 0.00 H new ATOM 1605 N LEU A 109 27.563 21.077 -16.611 1.00 0.00 N ATOM 1606 CA LEU A 109 26.246 20.655 -17.099 1.00 0.00 C ATOM 1607 C LEU A 109 26.296 19.276 -17.753 1.00 0.00 C ATOM 1608 O LEU A 109 25.327 18.527 -17.664 1.00 0.00 O ATOM 1609 CB LEU A 109 25.664 21.677 -18.091 1.00 0.00 C ATOM 1610 CG LEU A 109 25.172 22.976 -17.427 1.00 0.00 C ATOM 1611 CD1 LEU A 109 24.851 24.019 -18.503 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.921 22.752 -16.564 1.00 0.00 C ATOM 0 H LEU A 109 27.897 21.947 -17.025 1.00 0.00 H new ATOM 0 HA LEU A 109 25.595 20.597 -16.227 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.424 21.924 -18.832 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.834 21.217 -18.627 1.00 0.00 H new ATOM 0 HG LEU A 109 25.973 23.327 -16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.503 24.936 -18.028 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.748 24.229 -19.085 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.073 23.634 -19.162 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.613 23.697 -16.117 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.114 22.365 -17.186 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.147 22.035 -15.775 1.00 0.00 H new ATOM 1624 N GLU A 110 27.419 18.918 -18.375 1.00 0.00 N ATOM 1625 CA GLU A 110 27.628 17.600 -18.957 1.00 0.00 C ATOM 1626 C GLU A 110 27.574 16.521 -17.869 1.00 0.00 C ATOM 1627 O GLU A 110 26.965 15.471 -18.074 1.00 0.00 O ATOM 1628 CB GLU A 110 28.982 17.550 -19.688 1.00 0.00 C ATOM 1629 CG GLU A 110 29.050 18.400 -20.971 1.00 0.00 C ATOM 1630 CD GLU A 110 28.999 19.929 -20.758 1.00 0.00 C ATOM 1631 OE1 GLU A 110 29.421 20.429 -19.691 1.00 0.00 O ATOM 1632 OE2 GLU A 110 28.546 20.645 -21.681 1.00 0.00 O ATOM 0 H GLU A 110 28.216 19.545 -18.488 1.00 0.00 H new ATOM 0 HA GLU A 110 26.833 17.408 -19.677 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.762 17.885 -19.004 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.205 16.514 -19.942 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.971 18.155 -21.500 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.223 18.113 -21.620 1.00 0.00 H new ATOM 1639 N VAL A 111 28.168 16.777 -16.698 1.00 0.00 N ATOM 1640 CA VAL A 111 28.139 15.848 -15.572 1.00 0.00 C ATOM 1641 C VAL A 111 26.708 15.754 -15.045 1.00 0.00 C ATOM 1642 O VAL A 111 26.222 14.649 -14.809 1.00 0.00 O ATOM 1643 CB VAL A 111 29.129 16.284 -14.476 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.066 15.362 -13.251 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.572 16.303 -15.007 1.00 0.00 C ATOM 0 H VAL A 111 28.682 17.637 -16.508 1.00 0.00 H new ATOM 0 HA VAL A 111 28.455 14.858 -15.901 1.00 0.00 H new ATOM 0 HB VAL A 111 28.835 17.290 -14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.779 15.704 -12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.060 15.383 -12.831 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.313 14.343 -13.549 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.248 16.615 -14.211 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.848 15.305 -15.348 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.644 17.003 -15.839 1.00 0.00 H new ATOM 1655 N PHE A 112 26.014 16.890 -14.918 1.00 0.00 N ATOM 1656 CA PHE A 112 24.611 16.904 -14.523 1.00 0.00 C ATOM 1657 C PHE A 112 23.776 16.037 -15.462 1.00 0.00 C ATOM 1658 O PHE A 112 23.088 15.141 -14.981 1.00 0.00 O ATOM 1659 CB PHE A 112 24.073 18.335 -14.464 1.00 0.00 C ATOM 1660 CG PHE A 112 24.268 18.992 -13.123 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.291 18.837 -12.119 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.435 19.729 -12.869 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.500 19.398 -10.850 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.646 20.282 -11.601 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.692 20.093 -10.594 1.00 0.00 C ATOM 0 H PHE A 112 26.409 17.815 -15.086 1.00 0.00 H new ATOM 0 HA PHE A 112 24.535 16.481 -13.521 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.568 18.933 -15.229 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.010 18.326 -14.705 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.384 18.288 -12.326 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.168 19.869 -13.650 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.751 19.296 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.541 20.852 -11.400 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.876 20.488 -9.606 1.00 0.00 H new ATOM 1675 N ARG A 113 23.857 16.238 -16.783 1.00 0.00 N ATOM 1676 CA ARG A 113 23.127 15.411 -17.749 1.00 0.00 C ATOM 1677 C ARG A 113 23.515 13.940 -17.641 1.00 0.00 C ATOM 1678 O ARG A 113 22.629 13.087 -17.680 1.00 0.00 O ATOM 1679 CB ARG A 113 23.325 15.936 -19.183 1.00 0.00 C ATOM 1680 CG ARG A 113 22.541 17.240 -19.392 1.00 0.00 C ATOM 1681 CD ARG A 113 22.692 17.882 -20.773 1.00 0.00 C ATOM 1682 NE ARG A 113 22.387 16.957 -21.881 1.00 0.00 N ATOM 1683 CZ ARG A 113 21.192 16.725 -22.439 1.00 0.00 C ATOM 1684 NH1 ARG A 113 20.078 17.285 -21.971 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.113 15.901 -23.479 1.00 0.00 N ATOM 0 H ARG A 113 24.425 16.971 -17.208 1.00 0.00 H new ATOM 0 HA ARG A 113 22.067 15.483 -17.506 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.385 16.108 -19.370 1.00 0.00 H new ATOM 0 HB3 ARG A 113 22.992 15.186 -19.900 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.484 17.041 -19.216 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.859 17.960 -18.638 1.00 0.00 H new ATOM 0 HD2 ARG A 113 22.032 18.747 -20.838 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.712 18.250 -20.886 1.00 0.00 H new ATOM 0 HE ARG A 113 23.175 16.436 -22.265 1.00 0.00 H new ATOM 0 HH11 ARG A 113 20.121 17.910 -21.166 1.00 0.00 H new ATOM 0 HH12 ARG A 113 19.182 17.089 -22.418 1.00 0.00 H new ATOM 0 HH21 ARG A 113 21.956 15.455 -23.842 1.00 0.00 H new ATOM 0 HH22 ARG A 113 20.210 15.715 -23.914 1.00 0.00 H new ATOM 1699 N THR A 114 24.800 13.628 -17.470 1.00 0.00 N ATOM 1700 CA THR A 114 25.278 12.266 -17.348 1.00 0.00 C ATOM 1701 C THR A 114 24.646 11.595 -16.122 1.00 0.00 C ATOM 1702 O THR A 114 24.154 10.470 -16.212 1.00 0.00 O ATOM 1703 CB THR A 114 26.814 12.329 -17.287 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.331 12.852 -18.495 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.442 10.966 -17.042 1.00 0.00 C ATOM 0 H THR A 114 25.540 14.328 -17.413 1.00 0.00 H new ATOM 0 HA THR A 114 24.988 11.652 -18.201 1.00 0.00 H new ATOM 0 HB THR A 114 27.066 12.978 -16.449 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.378 13.829 -18.435 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.527 11.066 -17.008 1.00 0.00 H new ATOM 0 HG22 THR A 114 27.084 10.566 -16.093 1.00 0.00 H new ATOM 0 HG23 THR A 114 27.166 10.288 -17.849 1.00 0.00 H new ATOM 1713 N VAL A 115 24.630 12.264 -14.970 1.00 0.00 N ATOM 1714 CA VAL A 115 24.027 11.711 -13.770 1.00 0.00 C ATOM 1715 C VAL A 115 22.514 11.668 -13.913 1.00 0.00 C ATOM 1716 O VAL A 115 21.938 10.638 -13.583 1.00 0.00 O ATOM 1717 CB VAL A 115 24.501 12.478 -12.530 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.723 12.122 -11.253 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.991 12.199 -12.303 1.00 0.00 C ATOM 0 H VAL A 115 25.031 13.194 -14.848 1.00 0.00 H new ATOM 0 HA VAL A 115 24.354 10.680 -13.635 1.00 0.00 H new ATOM 0 HB VAL A 115 24.320 13.535 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.112 12.702 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.667 12.352 -11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.838 11.059 -11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.333 12.742 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.142 11.130 -12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.559 12.526 -13.174 1.00 0.00 H new ATOM 1729 N ARG A 116 21.864 12.710 -14.443 1.00 0.00 N ATOM 1730 CA ARG A 116 20.415 12.725 -14.598 1.00 0.00 C ATOM 1731 C ARG A 116 19.980 11.520 -15.419 1.00 0.00 C ATOM 1732 O ARG A 116 19.025 10.852 -15.038 1.00 0.00 O ATOM 1733 CB ARG A 116 19.933 14.031 -15.257 1.00 0.00 C ATOM 1734 CG ARG A 116 18.395 14.110 -15.165 1.00 0.00 C ATOM 1735 CD ARG A 116 17.654 14.890 -16.257 1.00 0.00 C ATOM 1736 NE ARG A 116 18.103 14.526 -17.618 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.542 15.386 -18.547 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.402 16.691 -18.356 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.123 14.942 -19.656 1.00 0.00 N ATOM 0 H ARG A 116 22.327 13.557 -14.772 1.00 0.00 H new ATOM 0 HA ARG A 116 19.961 12.672 -13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.383 14.890 -14.760 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.249 14.064 -16.300 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.007 13.091 -15.159 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.139 14.555 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.584 14.703 -16.169 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.805 15.958 -16.102 1.00 0.00 H new ATOM 0 HE ARG A 116 18.076 13.538 -17.871 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.961 17.037 -17.504 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.735 17.348 -19.061 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.238 13.940 -19.805 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.454 15.604 -20.358 1.00 0.00 H new ATOM 1753 N GLY A 117 20.677 11.229 -16.517 1.00 0.00 N ATOM 1754 CA GLY A 117 20.325 10.108 -17.368 1.00 0.00 C ATOM 1755 C GLY A 117 20.412 8.800 -16.597 1.00 0.00 C ATOM 1756 O GLY A 117 19.441 8.046 -16.602 1.00 0.00 O ATOM 0 H GLY A 117 21.489 11.759 -16.833 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.315 10.242 -17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.993 10.074 -18.228 1.00 0.00 H new ATOM 1760 N GLN A 118 21.519 8.562 -15.880 1.00 0.00 N ATOM 1761 CA GLN A 118 21.704 7.359 -15.078 1.00 0.00 C ATOM 1762 C GLN A 118 20.612 7.261 -14.016 1.00 0.00 C ATOM 1763 O GLN A 118 19.892 6.272 -13.966 1.00 0.00 O ATOM 1764 CB GLN A 118 23.091 7.357 -14.419 1.00 0.00 C ATOM 1765 CG GLN A 118 24.248 7.230 -15.415 1.00 0.00 C ATOM 1766 CD GLN A 118 25.588 7.429 -14.708 1.00 0.00 C ATOM 1767 OE1 GLN A 118 26.214 6.483 -14.238 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.024 8.672 -14.606 1.00 0.00 N ATOM 0 H GLN A 118 22.310 9.205 -15.844 1.00 0.00 H new ATOM 0 HA GLN A 118 21.634 6.491 -15.734 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.214 8.278 -13.849 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.144 6.533 -13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 118 24.222 6.248 -15.888 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.135 7.969 -16.208 1.00 0.00 H new ATOM 0 HE21 GLN A 118 25.482 9.437 -15.007 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.903 8.866 -14.126 1.00 0.00 H new ATOM 1777 N VAL A 119 20.471 8.296 -13.192 1.00 0.00 N ATOM 1778 CA VAL A 119 19.448 8.429 -12.158 1.00 0.00 C ATOM 1779 C VAL A 119 18.073 8.096 -12.730 1.00 0.00 C ATOM 1780 O VAL A 119 17.398 7.237 -12.172 1.00 0.00 O ATOM 1781 CB VAL A 119 19.484 9.842 -11.522 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.300 10.088 -10.579 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.753 10.033 -10.678 1.00 0.00 C ATOM 0 H VAL A 119 21.095 9.102 -13.228 1.00 0.00 H new ATOM 0 HA VAL A 119 19.658 7.715 -11.361 1.00 0.00 H new ATOM 0 HB VAL A 119 19.450 10.538 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.371 11.091 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.367 9.992 -11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.319 9.355 -9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.754 11.032 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.775 9.290 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.632 9.912 -11.311 1.00 0.00 H new ATOM 1793 N LYS A 120 17.645 8.734 -13.824 1.00 0.00 N ATOM 1794 CA LYS A 120 16.286 8.566 -14.321 1.00 0.00 C ATOM 1795 C LYS A 120 16.056 7.123 -14.746 1.00 0.00 C ATOM 1796 O LYS A 120 15.066 6.514 -14.347 1.00 0.00 O ATOM 1797 CB LYS A 120 16.038 9.564 -15.462 1.00 0.00 C ATOM 1798 CG LYS A 120 14.685 9.329 -16.143 1.00 0.00 C ATOM 1799 CD LYS A 120 14.424 10.376 -17.233 1.00 0.00 C ATOM 1800 CE LYS A 120 13.122 10.062 -17.981 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.210 8.857 -18.845 1.00 0.00 N ATOM 0 H LYS A 120 18.222 9.368 -14.377 1.00 0.00 H new ATOM 0 HA LYS A 120 15.566 8.779 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.075 10.580 -15.070 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.836 9.477 -16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.664 8.331 -16.581 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.889 9.368 -15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.363 11.368 -16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.258 10.394 -17.935 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.321 9.921 -17.256 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.849 10.920 -18.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.334 8.761 -19.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.018 8.952 -19.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.340 8.013 -18.251 1.00 0.00 H new ATOM 1815 N GLU A 121 16.991 6.571 -15.513 1.00 0.00 N ATOM 1816 CA GLU A 121 16.990 5.176 -15.901 1.00 0.00 C ATOM 1817 C GLU A 121 16.896 4.294 -14.659 1.00 0.00 C ATOM 1818 O GLU A 121 16.122 3.345 -14.646 1.00 0.00 O ATOM 1819 CB GLU A 121 18.274 4.914 -16.714 1.00 0.00 C ATOM 1820 CG GLU A 121 19.024 3.602 -16.459 1.00 0.00 C ATOM 1821 CD GLU A 121 18.252 2.319 -16.819 1.00 0.00 C ATOM 1822 OE1 GLU A 121 17.568 2.278 -17.867 1.00 0.00 O ATOM 1823 OE2 GLU A 121 18.381 1.320 -16.075 1.00 0.00 O ATOM 0 H GLU A 121 17.782 7.095 -15.886 1.00 0.00 H new ATOM 0 HA GLU A 121 16.127 4.935 -16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.014 4.952 -17.772 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.964 5.737 -16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.954 3.618 -17.028 1.00 0.00 H new ATOM 0 HG3 GLU A 121 19.296 3.558 -15.405 1.00 0.00 H new ATOM 1830 N ARG A 122 17.671 4.587 -13.615 1.00 0.00 N ATOM 1831 CA ARG A 122 17.755 3.737 -12.442 1.00 0.00 C ATOM 1832 C ARG A 122 16.460 3.824 -11.634 1.00 0.00 C ATOM 1833 O ARG A 122 16.013 2.791 -11.147 1.00 0.00 O ATOM 1834 CB ARG A 122 19.015 4.080 -11.648 1.00 0.00 C ATOM 1835 CG ARG A 122 20.319 3.612 -12.315 1.00 0.00 C ATOM 1836 CD ARG A 122 21.516 4.292 -11.640 1.00 0.00 C ATOM 1837 NE ARG A 122 22.803 3.728 -12.086 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.443 2.684 -11.538 1.00 0.00 C ATOM 1839 NH1 ARG A 122 22.916 2.024 -10.508 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.618 2.303 -12.029 1.00 0.00 N ATOM 0 H ARG A 122 18.256 5.421 -13.565 1.00 0.00 H new ATOM 0 HA ARG A 122 17.852 2.691 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.059 5.160 -11.504 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.943 3.629 -10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.411 2.529 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.303 3.854 -13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.495 5.360 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.430 4.185 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 122 23.249 4.174 -12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.015 2.311 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.414 1.232 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.028 2.804 -12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.110 1.510 -11.617 1.00 0.00 H new ATOM 1854 N VAL A 123 15.808 4.984 -11.512 1.00 0.00 N ATOM 1855 CA VAL A 123 14.464 5.082 -10.964 1.00 0.00 C ATOM 1856 C VAL A 123 13.521 4.179 -11.772 1.00 0.00 C ATOM 1857 O VAL A 123 12.789 3.389 -11.177 1.00 0.00 O ATOM 1858 CB VAL A 123 13.997 6.548 -10.961 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.548 6.634 -10.476 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.843 7.428 -10.028 1.00 0.00 C ATOM 0 H VAL A 123 16.204 5.881 -11.793 1.00 0.00 H new ATOM 0 HA VAL A 123 14.457 4.740 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 123 14.100 6.908 -11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.225 7.675 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.907 6.055 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.478 6.233 -9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.474 8.453 -10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.773 7.050 -9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.884 7.406 -10.352 1.00 0.00 H new ATOM 1870 N GLU A 124 13.540 4.243 -13.109 1.00 0.00 N ATOM 1871 CA GLU A 124 12.696 3.377 -13.930 1.00 0.00 C ATOM 1872 C GLU A 124 13.030 1.900 -13.677 1.00 0.00 C ATOM 1873 O GLU A 124 12.142 1.052 -13.653 1.00 0.00 O ATOM 1874 CB GLU A 124 12.820 3.711 -15.430 1.00 0.00 C ATOM 1875 CG GLU A 124 12.257 5.089 -15.799 1.00 0.00 C ATOM 1876 CD GLU A 124 12.365 5.389 -17.305 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.711 4.697 -18.120 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.076 6.348 -17.684 1.00 0.00 O ATOM 0 H GLU A 124 14.129 4.884 -13.640 1.00 0.00 H new ATOM 0 HA GLU A 124 11.661 3.558 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.870 3.668 -15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.299 2.948 -16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.211 5.143 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.791 5.857 -15.240 1.00 0.00 H new ATOM 1885 N ASN A 125 14.305 1.598 -13.437 1.00 0.00 N ATOM 1886 CA ASN A 125 14.813 0.272 -13.124 1.00 0.00 C ATOM 1887 C ASN A 125 14.258 -0.209 -11.782 1.00 0.00 C ATOM 1888 O ASN A 125 13.774 -1.332 -11.678 1.00 0.00 O ATOM 1889 CB ASN A 125 16.353 0.305 -13.122 1.00 0.00 C ATOM 1890 CG ASN A 125 16.989 -1.008 -13.546 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.718 -2.065 -12.984 1.00 0.00 O ATOM 1892 ND2 ASN A 125 17.860 -0.958 -14.543 1.00 0.00 N ATOM 0 H ASN A 125 15.040 2.304 -13.457 1.00 0.00 H new ATOM 0 HA ASN A 125 14.484 -0.437 -13.884 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.692 1.096 -13.791 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.701 0.562 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.322 -1.810 -14.860 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.068 -0.067 -14.994 1.00 0.00 H new ATOM 1899 N LEU A 126 14.264 0.653 -10.761 1.00 0.00 N ATOM 1900 CA LEU A 126 13.751 0.324 -9.433 1.00 0.00 C ATOM 1901 C LEU A 126 12.246 0.077 -9.491 1.00 0.00 C ATOM 1902 O LEU A 126 11.787 -0.930 -8.965 1.00 0.00 O ATOM 1903 CB LEU A 126 14.241 1.303 -8.340 1.00 0.00 C ATOM 1904 CG LEU A 126 13.242 2.399 -7.931 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.247 1.915 -6.878 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.935 3.648 -7.384 1.00 0.00 C ATOM 0 H LEU A 126 14.627 1.603 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 126 14.183 -0.622 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.503 0.727 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.155 1.782 -8.691 1.00 0.00 H new ATOM 0 HG LEU A 126 12.711 2.649 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.564 2.725 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.679 1.073 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.787 1.601 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.185 4.390 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.521 3.383 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.594 4.062 -8.147 1.00 0.00 H new ATOM 1918 N ILE A 127 11.491 0.923 -10.194 1.00 0.00 N ATOM 1919 CA ILE A 127 10.090 0.700 -10.512 1.00 0.00 C ATOM 1920 C ILE A 127 9.930 -0.632 -11.255 1.00 0.00 C ATOM 1921 O ILE A 127 8.947 -1.320 -11.013 1.00 0.00 O ATOM 1922 CB ILE A 127 9.582 1.905 -11.338 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.507 3.183 -10.464 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.211 1.613 -11.964 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.243 4.479 -11.247 1.00 0.00 C ATOM 0 H ILE A 127 11.851 1.802 -10.565 1.00 0.00 H new ATOM 0 HA ILE A 127 9.489 0.628 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 127 10.297 2.074 -12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.718 3.055 -9.723 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.444 3.289 -9.917 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.881 2.479 -12.538 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.289 0.749 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.488 1.404 -11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.207 5.321 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.044 4.637 -11.969 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.291 4.399 -11.772 1.00 0.00 H new ATOM 1937 N ALA A 128 10.853 -1.030 -12.132 1.00 0.00 N ATOM 1938 CA ALA A 128 10.712 -2.265 -12.893 1.00 0.00 C ATOM 1939 C ALA A 128 10.823 -3.490 -11.981 1.00 0.00 C ATOM 1940 O ALA A 128 10.108 -4.471 -12.189 1.00 0.00 O ATOM 1941 CB ALA A 128 11.719 -2.337 -14.048 1.00 0.00 C ATOM 0 H ALA A 128 11.708 -0.510 -12.331 1.00 0.00 H new ATOM 0 HA ALA A 128 9.715 -2.266 -13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.583 -3.272 -14.592 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.558 -1.497 -14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.733 -2.293 -13.650 1.00 0.00 H new ATOM 1947 N LYS A 129 11.674 -3.425 -10.951 1.00 0.00 N ATOM 1948 CA LYS A 129 11.800 -4.472 -9.938 1.00 0.00 C ATOM 1949 C LYS A 129 10.459 -4.695 -9.232 1.00 0.00 C ATOM 1950 O LYS A 129 9.995 -5.831 -9.128 1.00 0.00 O ATOM 1951 CB LYS A 129 12.856 -4.085 -8.897 1.00 0.00 C ATOM 1952 CG LYS A 129 14.291 -3.964 -9.431 1.00 0.00 C ATOM 1953 CD LYS A 129 15.171 -3.396 -8.310 1.00 0.00 C ATOM 1954 CE LYS A 129 16.526 -2.851 -8.780 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.473 -3.897 -9.233 1.00 0.00 N ATOM 0 H LYS A 129 12.300 -2.634 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 129 12.105 -5.391 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.570 -3.132 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.844 -4.827 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.662 -4.938 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.318 -3.312 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.627 -2.597 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.345 -4.177 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.360 -2.148 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.983 -2.290 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.449 -3.564 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.324 -4.764 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.312 -4.098 -10.240 1.00 0.00 H new ATOM 1969 N ILE A 130 9.861 -3.614 -8.723 1.00 0.00 N ATOM 1970 CA ILE A 130 8.681 -3.645 -7.866 1.00 0.00 C ATOM 1971 C ILE A 130 7.381 -3.824 -8.662 1.00 0.00 C ATOM 1972 O ILE A 130 6.501 -4.566 -8.223 1.00 0.00 O ATOM 1973 CB ILE A 130 8.668 -2.387 -6.960 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.777 -1.039 -7.697 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.756 -2.579 -5.882 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.236 0.149 -6.839 1.00 0.00 C ATOM 0 H ILE A 130 10.197 -2.668 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 130 8.738 -4.525 -7.225 1.00 0.00 H new ATOM 0 HB ILE A 130 7.682 -2.311 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.473 -1.155 -8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.804 -0.800 -8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.775 -1.710 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.535 -3.471 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.728 -2.692 -6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.279 1.047 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.531 0.302 -6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.225 -0.058 -6.430 1.00 0.00 H new ATOM 1988 N SER A 131 7.314 -3.165 -9.819 1.00 0.00 N ATOM 1989 CA SER A 131 6.263 -3.123 -10.833 1.00 0.00 C ATOM 1990 C SER A 131 4.890 -3.573 -10.326 1.00 0.00 C ATOM 1991 O SER A 131 4.238 -2.722 -9.684 1.00 0.00 O ATOM 1992 CB SER A 131 6.758 -3.766 -12.140 1.00 0.00 C ATOM 1993 OG SER A 131 7.467 -4.982 -11.943 1.00 0.00 O ATOM 1994 OXT SER A 131 4.442 -4.710 -10.590 1.00 0.00 O ATOM 0 H SER A 131 8.096 -2.574 -10.101 1.00 0.00 H new ATOM 0 HA SER A 131 6.060 -2.081 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.903 -3.955 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.404 -3.059 -12.661 1.00 0.00 H new ATOM 0 HG SER A 131 8.411 -4.851 -12.170 1.00 0.00 H new TER 2000 SER A 131