USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 38 HIS : no HE2:sc= -1.48 K(o=-0.12,f=-5.2!) USER MOD Set 1.2: A 39 ASN : amide:sc= 1.36 K(o=-0.12,f=-6.7!) USER MOD Set 2.1: A 27 SER OG : rot -90:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.461 K(o=-0.46,f=-2.1!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.00245 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= -1.49 (180deg=-3.78!) USER MOD Single : A 5 MET CE :methyl -175:sc=-0.00859 (180deg=-0.0596) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.00265 USER MOD Single : A 17 SER OG : rot 76:sc= 0.00148 USER MOD Single : A 20 GLN : amide:sc= 0.195 K(o=0.19,f=-1.4!) USER MOD Single : A 21 GLN : amide:sc= -0.0824 K(o=-0.082,f=-1.6) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.21) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.582 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 1.28 (180deg=0.339) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -179:sc= -0.301 (180deg=-0.302) USER MOD Single : A 56 SER OG : rot -54:sc= 1.07 USER MOD Single : A 59 SER OG : rot 81:sc= 1.24 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 165:sc= -0.0597 (180deg=-0.375) USER MOD Single : A 71 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.19) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.159 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc=-0.00359 X(o=-0.0036,f=-0.018) USER MOD Single : A 83 THR OG1 : rot -14:sc= 1.18 USER MOD Single : A 85 GLN : amide:sc= 0.934 K(o=0.93,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -16.521 -1.167 4.797 1.00 0.00 N ATOM 38 CA LYS A 4 -16.485 0.099 4.081 1.00 0.00 C ATOM 39 C LYS A 4 -16.108 -0.147 2.618 1.00 0.00 C ATOM 40 O LYS A 4 -15.681 -1.249 2.266 1.00 0.00 O ATOM 41 CB LYS A 4 -15.476 1.029 4.787 1.00 0.00 C ATOM 42 CG LYS A 4 -14.058 0.417 4.802 1.00 0.00 C ATOM 43 CD LYS A 4 -12.911 1.284 5.290 1.00 0.00 C ATOM 44 CE LYS A 4 -12.780 2.438 4.295 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.322 2.034 2.954 1.00 0.00 N ATOM 0 HA LYS A 4 -17.464 0.578 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.452 1.994 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.804 1.215 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.087 -0.478 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.824 0.093 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.109 1.659 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.986 0.710 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.746 2.933 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.083 3.172 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.759 2.649 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.287 2.121 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.596 1.047 2.776 1.00 0.00 H new ATOM 59 N MET A 5 -16.147 0.903 1.791 1.00 0.00 N ATOM 60 CA MET A 5 -15.711 0.893 0.390 1.00 0.00 C ATOM 61 C MET A 5 -16.309 -0.308 -0.339 1.00 0.00 C ATOM 62 O MET A 5 -15.598 -1.156 -0.877 1.00 0.00 O ATOM 63 CB MET A 5 -14.185 1.077 0.278 1.00 0.00 C ATOM 64 CG MET A 5 -13.802 2.560 0.133 1.00 0.00 C ATOM 65 SD MET A 5 -14.594 3.714 1.279 1.00 0.00 S ATOM 66 CE MET A 5 -15.401 4.831 0.101 1.00 0.00 C ATOM 0 H MET A 5 -16.495 1.815 2.088 1.00 0.00 H new ATOM 0 HA MET A 5 -16.106 1.759 -0.141 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.702 0.661 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.813 0.519 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.722 2.647 0.253 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.036 2.875 -0.884 1.00 0.00 H new ATOM 0 HE1 MET A 5 -15.863 5.657 0.641 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.660 5.223 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 5 -16.166 4.286 -0.452 1.00 0.00 H new ATOM 76 N SER A 6 -17.639 -0.388 -0.291 1.00 0.00 N ATOM 77 CA SER A 6 -18.450 -1.363 -0.997 1.00 0.00 C ATOM 78 C SER A 6 -18.128 -1.330 -2.483 1.00 0.00 C ATOM 79 O SER A 6 -17.468 -2.249 -2.971 1.00 0.00 O ATOM 80 CB SER A 6 -19.925 -1.132 -0.696 1.00 0.00 C ATOM 81 OG SER A 6 -20.222 0.248 -0.536 1.00 0.00 O ATOM 0 H SER A 6 -18.199 0.256 0.267 1.00 0.00 H new ATOM 0 HA SER A 6 -18.214 -2.368 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.529 -1.542 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.199 -1.670 0.211 1.00 0.00 H new ATOM 0 HG SER A 6 -21.177 0.357 -0.346 1.00 0.00 H new ATOM 87 N ASP A 7 -18.550 -0.278 -3.179 1.00 0.00 N ATOM 88 CA ASP A 7 -18.181 -0.018 -4.560 1.00 0.00 C ATOM 89 C ASP A 7 -17.959 1.478 -4.742 1.00 0.00 C ATOM 90 O ASP A 7 -18.732 2.313 -4.266 1.00 0.00 O ATOM 91 CB ASP A 7 -19.210 -0.571 -5.549 1.00 0.00 C ATOM 92 CG ASP A 7 -20.208 0.462 -6.072 1.00 0.00 C ATOM 93 OD1 ASP A 7 -21.249 0.683 -5.411 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.016 0.922 -7.222 1.00 0.00 O ATOM 0 H ASP A 7 -19.171 0.430 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.252 -0.544 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.682 -1.008 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.761 -1.378 -5.066 1.00 0.00 H new ATOM 99 N VAL A 8 -16.852 1.808 -5.397 1.00 0.00 N ATOM 100 CA VAL A 8 -16.405 3.140 -5.784 1.00 0.00 C ATOM 101 C VAL A 8 -15.610 2.997 -7.087 1.00 0.00 C ATOM 102 O VAL A 8 -14.837 3.869 -7.465 1.00 0.00 O ATOM 103 CB VAL A 8 -15.514 3.731 -4.669 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.469 5.263 -4.696 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.897 3.316 -3.243 1.00 0.00 C ATOM 0 H VAL A 8 -16.190 1.092 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.252 3.811 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.537 3.307 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.828 5.622 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.071 5.598 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.476 5.659 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.214 3.781 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.916 3.639 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.834 2.232 -3.150 1.00 0.00 H new ATOM 115 N LYS A 9 -15.763 1.841 -7.740 1.00 0.00 N ATOM 116 CA LYS A 9 -15.090 1.386 -8.948 1.00 0.00 C ATOM 117 C LYS A 9 -13.641 1.060 -8.599 1.00 0.00 C ATOM 118 O LYS A 9 -13.275 -0.107 -8.530 1.00 0.00 O ATOM 119 CB LYS A 9 -15.222 2.415 -10.085 1.00 0.00 C ATOM 120 CG LYS A 9 -16.693 2.741 -10.384 1.00 0.00 C ATOM 121 CD LYS A 9 -17.157 2.038 -11.665 1.00 0.00 C ATOM 122 CE LYS A 9 -18.677 1.946 -11.632 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.242 1.487 -12.915 1.00 0.00 N ATOM 0 H LYS A 9 -16.422 1.141 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.564 0.480 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.694 3.329 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.744 2.027 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.317 2.429 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.817 3.819 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.829 2.593 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.717 1.043 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.979 1.261 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.092 2.923 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.278 1.441 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.978 2.153 -13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.869 0.543 -13.141 1.00 0.00 H new ATOM 137 N CYS A 10 -12.827 2.075 -8.324 1.00 0.00 N ATOM 138 CA CYS A 10 -11.378 1.984 -8.218 1.00 0.00 C ATOM 139 C CYS A 10 -10.851 1.361 -6.911 1.00 0.00 C ATOM 140 O CYS A 10 -9.632 1.344 -6.724 1.00 0.00 O ATOM 141 CB CYS A 10 -10.807 3.401 -8.395 1.00 0.00 C ATOM 142 SG CYS A 10 -11.416 4.153 -9.931 1.00 0.00 S ATOM 0 H CYS A 10 -13.175 3.020 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.045 1.299 -8.998 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.090 4.021 -7.544 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.718 3.360 -8.412 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.921 5.349 -10.055 1.00 0.00 H new ATOM 148 N THR A 11 -11.712 0.865 -6.017 1.00 0.00 N ATOM 149 CA THR A 11 -11.406 0.383 -4.663 1.00 0.00 C ATOM 150 C THR A 11 -10.113 -0.438 -4.624 1.00 0.00 C ATOM 151 O THR A 11 -9.156 -0.112 -3.903 1.00 0.00 O ATOM 152 CB THR A 11 -12.607 -0.440 -4.148 1.00 0.00 C ATOM 153 OG1 THR A 11 -13.096 -1.276 -5.174 1.00 0.00 O ATOM 154 CG2 THR A 11 -13.774 0.446 -3.714 1.00 0.00 C ATOM 0 H THR A 11 -12.706 0.783 -6.232 1.00 0.00 H new ATOM 0 HA THR A 11 -11.241 1.241 -4.011 1.00 0.00 H new ATOM 0 HB THR A 11 -12.242 -1.011 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.856 -1.795 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.594 -0.179 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.449 1.108 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.113 1.043 -4.561 1.00 0.00 H new ATOM 162 N SER A 12 -10.049 -1.482 -5.444 1.00 0.00 N ATOM 163 CA SER A 12 -8.915 -2.382 -5.530 1.00 0.00 C ATOM 164 C SER A 12 -8.297 -2.368 -6.925 1.00 0.00 C ATOM 165 O SER A 12 -7.772 -3.386 -7.371 1.00 0.00 O ATOM 166 CB SER A 12 -9.308 -3.763 -4.975 1.00 0.00 C ATOM 167 OG SER A 12 -10.660 -4.082 -5.233 1.00 0.00 O ATOM 0 H SER A 12 -10.806 -1.728 -6.082 1.00 0.00 H new ATOM 0 HA SER A 12 -8.100 -2.037 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.667 -4.525 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.132 -3.783 -3.900 1.00 0.00 H new ATOM 0 HG SER A 12 -10.863 -4.967 -4.864 1.00 0.00 H new ATOM 173 N VAL A 13 -8.229 -1.180 -7.535 1.00 0.00 N ATOM 174 CA VAL A 13 -7.357 -0.928 -8.675 1.00 0.00 C ATOM 175 C VAL A 13 -6.259 0.047 -8.253 1.00 0.00 C ATOM 176 O VAL A 13 -5.109 -0.198 -8.586 1.00 0.00 O ATOM 177 CB VAL A 13 -8.131 -0.535 -9.955 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.411 -1.368 -10.133 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.457 0.957 -10.035 1.00 0.00 C ATOM 0 H VAL A 13 -8.779 -0.370 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.867 -1.855 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.451 -0.759 -10.777 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.923 -1.058 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.151 -2.424 -10.204 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.068 -1.213 -9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.000 1.162 -10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.072 1.241 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.532 1.533 -10.023 1.00 0.00 H new ATOM 189 N VAL A 14 -6.545 1.076 -7.433 1.00 0.00 N ATOM 190 CA VAL A 14 -5.563 2.124 -7.117 1.00 0.00 C ATOM 191 C VAL A 14 -4.199 1.552 -6.728 1.00 0.00 C ATOM 192 O VAL A 14 -3.207 1.799 -7.402 1.00 0.00 O ATOM 193 CB VAL A 14 -6.053 3.221 -6.161 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.954 4.233 -6.873 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.805 2.609 -4.999 1.00 0.00 C ATOM 0 H VAL A 14 -7.449 1.202 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.428 2.654 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.172 3.747 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.280 4.993 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.400 4.707 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.825 3.721 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.146 3.399 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.665 2.054 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.146 1.932 -4.455 1.00 0.00 H new ATOM 205 N LEU A 15 -4.134 0.738 -5.674 1.00 0.00 N ATOM 206 CA LEU A 15 -2.865 0.188 -5.219 1.00 0.00 C ATOM 207 C LEU A 15 -2.285 -0.814 -6.209 1.00 0.00 C ATOM 208 O LEU A 15 -1.064 -0.917 -6.332 1.00 0.00 O ATOM 209 CB LEU A 15 -3.049 -0.455 -3.842 1.00 0.00 C ATOM 210 CG LEU A 15 -1.732 -0.943 -3.212 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.656 0.145 -3.102 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.948 -1.528 -1.819 1.00 0.00 C ATOM 0 H LEU A 15 -4.943 0.448 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.150 1.007 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.518 0.266 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.734 -1.298 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.379 -1.711 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.242 -0.276 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.418 0.523 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.027 0.962 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.993 -1.860 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.376 -0.766 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.630 -2.376 -1.882 1.00 0.00 H new ATOM 224 N LEU A 16 -3.144 -1.558 -6.902 1.00 0.00 N ATOM 225 CA LEU A 16 -2.725 -2.498 -7.941 1.00 0.00 C ATOM 226 C LEU A 16 -2.147 -1.786 -9.171 1.00 0.00 C ATOM 227 O LEU A 16 -1.391 -2.404 -9.910 1.00 0.00 O ATOM 228 CB LEU A 16 -3.856 -3.481 -8.307 1.00 0.00 C ATOM 229 CG LEU A 16 -4.236 -4.467 -7.187 1.00 0.00 C ATOM 230 CD1 LEU A 16 -5.322 -5.457 -7.619 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.040 -5.295 -6.717 1.00 0.00 C ATOM 0 H LEU A 16 -4.153 -1.526 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.911 -3.092 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.741 -2.909 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.555 -4.050 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.605 -3.836 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.552 -6.129 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.221 -4.910 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.967 -6.038 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.357 -5.976 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.644 -5.870 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.265 -4.631 -6.334 1.00 0.00 H new ATOM 243 N SER A 17 -2.386 -0.485 -9.311 1.00 0.00 N ATOM 244 CA SER A 17 -1.802 0.398 -10.312 1.00 0.00 C ATOM 245 C SER A 17 -0.676 1.275 -9.727 1.00 0.00 C ATOM 246 O SER A 17 -0.205 2.184 -10.417 1.00 0.00 O ATOM 247 CB SER A 17 -2.917 1.224 -10.964 1.00 0.00 C ATOM 248 OG SER A 17 -3.897 0.392 -11.570 1.00 0.00 O ATOM 0 H SER A 17 -3.030 0.008 -8.692 1.00 0.00 H new ATOM 0 HA SER A 17 -1.323 -0.205 -11.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.390 1.856 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.488 1.888 -11.714 1.00 0.00 H new ATOM 0 HG SER A 17 -4.471 0.005 -10.877 1.00 0.00 H new ATOM 254 N VAL A 18 -0.326 1.135 -8.439 1.00 0.00 N ATOM 255 CA VAL A 18 0.707 1.927 -7.763 1.00 0.00 C ATOM 256 C VAL A 18 1.904 1.028 -7.454 1.00 0.00 C ATOM 257 O VAL A 18 2.899 1.129 -8.169 1.00 0.00 O ATOM 258 CB VAL A 18 0.120 2.691 -6.552 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.167 3.371 -5.650 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.834 3.801 -7.017 1.00 0.00 C ATOM 0 H VAL A 18 -0.766 0.450 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 18 1.081 2.717 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.386 1.917 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.663 3.881 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.845 2.618 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.735 4.096 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.234 4.324 -6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.292 4.506 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.654 3.362 -7.585 1.00 0.00 H new ATOM 270 N LEU A 19 1.855 0.198 -6.401 1.00 0.00 N ATOM 271 CA LEU A 19 3.072 -0.445 -5.892 1.00 0.00 C ATOM 272 C LEU A 19 3.518 -1.520 -6.855 1.00 0.00 C ATOM 273 O LEU A 19 4.573 -1.432 -7.479 1.00 0.00 O ATOM 274 CB LEU A 19 2.884 -1.016 -4.470 1.00 0.00 C ATOM 275 CG LEU A 19 3.764 -0.260 -3.455 1.00 0.00 C ATOM 276 CD1 LEU A 19 2.915 0.343 -2.347 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.899 -1.121 -2.886 1.00 0.00 C ATOM 0 H LEU A 19 1.002 -0.040 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 19 3.848 0.317 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.837 -0.939 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.140 -2.075 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 19 4.246 0.551 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.558 0.871 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.197 1.041 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.381 -0.451 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.482 -0.532 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.478 -1.988 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.544 -1.455 -3.698 1.00 0.00 H new ATOM 289 N GLN A 20 2.670 -2.527 -6.998 1.00 0.00 N ATOM 290 CA GLN A 20 2.959 -3.706 -7.783 1.00 0.00 C ATOM 291 C GLN A 20 3.214 -3.465 -9.269 1.00 0.00 C ATOM 292 O GLN A 20 3.609 -4.349 -10.015 1.00 0.00 O ATOM 293 CB GLN A 20 1.804 -4.681 -7.670 1.00 0.00 C ATOM 294 CG GLN A 20 0.547 -4.296 -8.461 1.00 0.00 C ATOM 295 CD GLN A 20 0.199 -5.230 -9.622 1.00 0.00 C ATOM 296 OE1 GLN A 20 -0.877 -5.822 -9.637 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.072 -5.447 -10.587 1.00 0.00 N ATOM 0 H GLN A 20 1.748 -2.543 -6.563 1.00 0.00 H new ATOM 0 HA GLN A 20 3.889 -4.092 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.141 -5.661 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.536 -4.782 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.299 -4.264 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.678 -3.287 -8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.968 -4.960 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.851 -6.102 -11.337 1.00 0.00 H new ATOM 306 N GLN A 21 2.889 -2.268 -9.713 1.00 0.00 N ATOM 307 CA GLN A 21 3.150 -1.765 -11.040 1.00 0.00 C ATOM 308 C GLN A 21 4.598 -2.130 -11.414 1.00 0.00 C ATOM 309 O GLN A 21 4.860 -2.576 -12.533 1.00 0.00 O ATOM 310 CB GLN A 21 2.914 -0.242 -11.038 1.00 0.00 C ATOM 311 CG GLN A 21 2.750 0.362 -12.438 1.00 0.00 C ATOM 312 CD GLN A 21 1.301 0.333 -12.925 1.00 0.00 C ATOM 313 OE1 GLN A 21 0.550 -0.589 -12.655 1.00 0.00 O ATOM 314 NE2 GLN A 21 0.859 1.348 -13.654 1.00 0.00 N ATOM 0 H GLN A 21 2.410 -1.586 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 21 2.485 -2.206 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.022 -0.023 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.751 0.245 -10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.106 1.392 -12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.377 -0.186 -13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.483 2.122 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.105 1.355 -13.986 1.00 0.00 H new ATOM 323 N LEU A 22 5.517 -2.002 -10.440 1.00 0.00 N ATOM 324 CA LEU A 22 6.937 -2.319 -10.556 1.00 0.00 C ATOM 325 C LEU A 22 7.517 -3.024 -9.314 1.00 0.00 C ATOM 326 O LEU A 22 8.408 -3.852 -9.464 1.00 0.00 O ATOM 327 CB LEU A 22 7.701 -1.010 -10.812 1.00 0.00 C ATOM 328 CG LEU A 22 7.568 -0.494 -12.258 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.312 1.009 -12.262 1.00 0.00 C ATOM 330 CD2 LEU A 22 8.805 -0.858 -13.081 1.00 0.00 C ATOM 0 H LEU A 22 5.271 -1.659 -9.512 1.00 0.00 H new ATOM 0 HA LEU A 22 7.051 -3.021 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.336 -0.245 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.756 -1.164 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 22 6.712 -0.980 -12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.220 1.360 -13.290 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.389 1.222 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.143 1.521 -11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.688 -0.484 -14.098 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.689 -0.409 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.921 -1.942 -13.104 1.00 0.00 H new ATOM 342 N ARG A 23 7.109 -2.670 -8.088 1.00 0.00 N ATOM 343 CA ARG A 23 7.898 -2.949 -6.867 1.00 0.00 C ATOM 344 C ARG A 23 7.801 -4.354 -6.313 1.00 0.00 C ATOM 345 O ARG A 23 8.670 -4.813 -5.578 1.00 0.00 O ATOM 346 CB ARG A 23 7.443 -1.994 -5.756 1.00 0.00 C ATOM 347 CG ARG A 23 7.986 -0.604 -6.043 1.00 0.00 C ATOM 348 CD ARG A 23 6.991 0.441 -6.564 1.00 0.00 C ATOM 349 NE ARG A 23 7.624 1.765 -6.699 1.00 0.00 N ATOM 350 CZ ARG A 23 8.681 2.102 -7.452 1.00 0.00 C ATOM 351 NH1 ARG A 23 9.235 1.270 -8.328 1.00 0.00 N ATOM 352 NH2 ARG A 23 9.240 3.296 -7.318 1.00 0.00 N ATOM 0 H ARG A 23 6.230 -2.185 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 23 8.935 -2.813 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.355 -1.969 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.801 -2.345 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.432 -0.219 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.790 -0.699 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.599 0.123 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.143 0.509 -5.883 1.00 0.00 H new ATOM 0 HE ARG A 23 7.206 2.518 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.856 0.331 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.039 1.571 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.866 3.961 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.044 3.550 -7.892 1.00 0.00 H new ATOM 366 N VAL A 24 6.672 -4.950 -6.584 1.00 0.00 N ATOM 367 CA VAL A 24 6.280 -6.314 -6.254 1.00 0.00 C ATOM 368 C VAL A 24 5.532 -6.795 -7.492 1.00 0.00 C ATOM 369 O VAL A 24 4.737 -6.038 -8.031 1.00 0.00 O ATOM 370 CB VAL A 24 5.458 -6.322 -4.936 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.256 -5.360 -4.935 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.950 -7.715 -4.538 1.00 0.00 C ATOM 0 H VAL A 24 5.931 -4.460 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 24 7.107 -6.992 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 24 6.185 -5.976 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.737 -5.427 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.607 -4.339 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.572 -5.631 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.385 -7.644 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.306 -8.106 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.798 -8.385 -4.397 1.00 0.00 H new ATOM 382 N GLU A 25 5.779 -7.994 -8.001 1.00 0.00 N ATOM 383 CA GLU A 25 5.029 -8.471 -9.156 1.00 0.00 C ATOM 384 C GLU A 25 3.771 -9.213 -8.686 1.00 0.00 C ATOM 385 O GLU A 25 3.208 -8.899 -7.638 1.00 0.00 O ATOM 386 CB GLU A 25 5.948 -9.220 -10.105 1.00 0.00 C ATOM 387 CG GLU A 25 6.953 -8.291 -10.798 1.00 0.00 C ATOM 388 CD GLU A 25 7.382 -8.886 -12.135 1.00 0.00 C ATOM 389 OE1 GLU A 25 6.553 -8.920 -13.074 1.00 0.00 O ATOM 390 OE2 GLU A 25 8.517 -9.401 -12.227 1.00 0.00 O ATOM 0 H GLU A 25 6.478 -8.644 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 25 4.648 -7.646 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.488 -9.989 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.349 -9.731 -10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.505 -7.310 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.825 -8.145 -10.160 1.00 0.00 H new ATOM 397 N SER A 26 3.278 -10.174 -9.470 1.00 0.00 N ATOM 398 CA SER A 26 2.160 -11.020 -9.074 1.00 0.00 C ATOM 399 C SER A 26 2.476 -11.813 -7.796 1.00 0.00 C ATOM 400 O SER A 26 1.571 -12.074 -6.999 1.00 0.00 O ATOM 401 CB SER A 26 1.838 -11.953 -10.245 1.00 0.00 C ATOM 402 OG SER A 26 0.452 -11.971 -10.507 1.00 0.00 O ATOM 0 H SER A 26 3.646 -10.385 -10.398 1.00 0.00 H new ATOM 0 HA SER A 26 1.293 -10.401 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.376 -11.626 -11.135 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.182 -12.962 -10.017 1.00 0.00 H new ATOM 0 HG SER A 26 0.269 -12.572 -11.259 1.00 0.00 H new ATOM 408 N SER A 27 3.753 -12.171 -7.611 1.00 0.00 N ATOM 409 CA SER A 27 4.321 -12.815 -6.435 1.00 0.00 C ATOM 410 C SER A 27 3.489 -14.011 -5.938 1.00 0.00 C ATOM 411 O SER A 27 2.751 -14.631 -6.706 1.00 0.00 O ATOM 412 CB SER A 27 4.591 -11.718 -5.394 1.00 0.00 C ATOM 413 OG SER A 27 5.431 -10.709 -5.938 1.00 0.00 O ATOM 0 H SER A 27 4.457 -12.005 -8.330 1.00 0.00 H new ATOM 0 HA SER A 27 5.270 -13.292 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.648 -11.278 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.061 -12.154 -4.512 1.00 0.00 H new ATOM 0 HG SER A 27 6.369 -10.938 -5.768 1.00 0.00 H new ATOM 419 N SER A 28 3.694 -14.422 -4.687 1.00 0.00 N ATOM 420 CA SER A 28 2.776 -15.307 -4.000 1.00 0.00 C ATOM 421 C SER A 28 1.591 -14.481 -3.491 1.00 0.00 C ATOM 422 O SER A 28 1.709 -13.266 -3.283 1.00 0.00 O ATOM 423 CB SER A 28 3.536 -15.957 -2.846 1.00 0.00 C ATOM 424 OG SER A 28 2.775 -16.957 -2.208 1.00 0.00 O ATOM 0 H SER A 28 4.502 -14.147 -4.129 1.00 0.00 H new ATOM 0 HA SER A 28 2.392 -16.085 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.463 -16.391 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.813 -15.194 -2.119 1.00 0.00 H new ATOM 0 HG SER A 28 3.297 -17.349 -1.477 1.00 0.00 H new ATOM 430 N LYS A 29 0.477 -15.154 -3.178 1.00 0.00 N ATOM 431 CA LYS A 29 -0.719 -14.513 -2.629 1.00 0.00 C ATOM 432 C LYS A 29 -0.452 -13.815 -1.294 1.00 0.00 C ATOM 433 O LYS A 29 -1.183 -12.891 -0.954 1.00 0.00 O ATOM 434 CB LYS A 29 -1.885 -15.524 -2.537 1.00 0.00 C ATOM 435 CG LYS A 29 -3.205 -14.921 -3.040 1.00 0.00 C ATOM 436 CD LYS A 29 -3.188 -14.741 -4.568 1.00 0.00 C ATOM 437 CE LYS A 29 -4.060 -13.566 -5.001 1.00 0.00 C ATOM 438 NZ LYS A 29 -3.892 -13.276 -6.438 1.00 0.00 N ATOM 0 H LYS A 29 0.382 -16.162 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.014 -13.724 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.644 -16.411 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.004 -15.848 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.035 -15.568 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.374 -13.957 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.164 -14.580 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.541 -15.654 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.106 -13.790 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.801 -12.683 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.497 -12.473 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.898 -13.039 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.163 -14.112 -6.995 1.00 0.00 H new ATOM 452 N LEU A 30 0.646 -14.151 -0.610 1.00 0.00 N ATOM 453 CA LEU A 30 1.210 -13.422 0.517 1.00 0.00 C ATOM 454 C LEU A 30 1.156 -11.904 0.324 1.00 0.00 C ATOM 455 O LEU A 30 0.674 -11.203 1.210 1.00 0.00 O ATOM 456 CB LEU A 30 2.644 -13.943 0.712 1.00 0.00 C ATOM 457 CG LEU A 30 3.524 -13.267 1.773 1.00 0.00 C ATOM 458 CD1 LEU A 30 4.251 -12.028 1.244 1.00 0.00 C ATOM 459 CD2 LEU A 30 2.787 -12.985 3.085 1.00 0.00 C ATOM 0 H LEU A 30 1.189 -14.982 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 30 0.618 -13.598 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.582 -15.003 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.159 -13.866 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 30 4.293 -14.001 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.857 -11.594 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.895 -12.312 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.520 -11.295 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.468 -12.507 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.941 -12.325 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.426 -13.922 3.508 1.00 0.00 H new ATOM 471 N TRP A 31 1.635 -11.375 -0.808 1.00 0.00 N ATOM 472 CA TRP A 31 1.615 -9.927 -1.029 1.00 0.00 C ATOM 473 C TRP A 31 0.163 -9.425 -1.025 1.00 0.00 C ATOM 474 O TRP A 31 -0.195 -8.424 -0.390 1.00 0.00 O ATOM 475 CB TRP A 31 2.347 -9.572 -2.333 1.00 0.00 C ATOM 476 CG TRP A 31 1.709 -8.508 -3.178 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.708 -7.176 -2.943 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.885 -8.691 -4.365 1.00 0.00 C ATOM 479 NE1 TRP A 31 1.083 -6.527 -3.985 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.497 -7.413 -4.853 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.395 -9.814 -5.059 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.307 -7.252 -5.985 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.436 -9.671 -6.189 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.782 -8.389 -6.649 1.00 0.00 C ATOM 0 H TRP A 31 2.035 -11.919 -1.573 1.00 0.00 H new ATOM 0 HA TRP A 31 2.145 -9.425 -0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.358 -9.251 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.439 -10.478 -2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 31 2.132 -6.696 -2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 31 1.059 -5.513 -4.097 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.661 -10.804 -4.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.558 -6.264 -6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.807 -10.547 -6.701 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.416 -8.281 -7.517 1.00 0.00 H new ATOM 495 N ALA A 32 -0.688 -10.151 -1.749 1.00 0.00 N ATOM 496 CA ALA A 32 -2.095 -9.860 -1.892 1.00 0.00 C ATOM 497 C ALA A 32 -2.849 -9.928 -0.563 1.00 0.00 C ATOM 498 O ALA A 32 -3.868 -9.253 -0.442 1.00 0.00 O ATOM 499 CB ALA A 32 -2.734 -10.753 -2.959 1.00 0.00 C ATOM 0 H ALA A 32 -0.398 -10.982 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.175 -8.827 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.794 -10.514 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.243 -10.583 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.621 -11.799 -2.674 1.00 0.00 H new ATOM 505 N GLN A 33 -2.328 -10.627 0.449 1.00 0.00 N ATOM 506 CA GLN A 33 -2.906 -10.666 1.790 1.00 0.00 C ATOM 507 C GLN A 33 -2.955 -9.273 2.438 1.00 0.00 C ATOM 508 O GLN A 33 -3.751 -9.035 3.345 1.00 0.00 O ATOM 509 CB GLN A 33 -2.194 -11.752 2.635 1.00 0.00 C ATOM 510 CG GLN A 33 -1.310 -11.281 3.802 1.00 0.00 C ATOM 511 CD GLN A 33 -2.119 -11.023 5.077 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.840 -11.895 5.565 1.00 0.00 O ATOM 513 NE2 GLN A 33 -1.974 -9.864 5.691 1.00 0.00 N ATOM 0 H GLN A 33 -1.481 -11.188 0.356 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.953 -10.961 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.957 -12.417 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.575 -12.348 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.548 -12.033 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.788 -10.368 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.377 -9.143 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.459 -9.689 6.571 1.00 0.00 H new ATOM 522 N CYS A 34 -2.143 -8.331 1.953 1.00 0.00 N ATOM 523 CA CYS A 34 -2.212 -6.929 2.328 1.00 0.00 C ATOM 524 C CYS A 34 -2.805 -6.093 1.203 1.00 0.00 C ATOM 525 O CYS A 34 -3.495 -5.097 1.456 1.00 0.00 O ATOM 526 CB CYS A 34 -0.815 -6.480 2.762 1.00 0.00 C ATOM 527 SG CYS A 34 -0.933 -5.520 4.294 1.00 0.00 S ATOM 0 H CYS A 34 -1.407 -8.532 1.276 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.887 -6.785 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.174 -7.348 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.356 -5.878 1.978 1.00 0.00 H new ATOM 0 HG CYS A 34 0.255 -5.142 4.662 1.00 0.00 H new ATOM 533 N VAL A 35 -2.633 -6.518 -0.051 1.00 0.00 N ATOM 534 CA VAL A 35 -3.271 -5.810 -1.143 1.00 0.00 C ATOM 535 C VAL A 35 -4.808 -5.911 -1.062 1.00 0.00 C ATOM 536 O VAL A 35 -5.478 -5.044 -1.608 1.00 0.00 O ATOM 537 CB VAL A 35 -2.672 -6.209 -2.512 1.00 0.00 C ATOM 538 CG1 VAL A 35 -3.580 -7.086 -3.392 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.304 -4.952 -3.308 1.00 0.00 C ATOM 0 H VAL A 35 -2.073 -7.326 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.050 -4.748 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.797 -6.812 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.071 -7.311 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.806 -8.015 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.507 -6.553 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.883 -5.241 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.198 -4.349 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.570 -4.370 -2.751 1.00 0.00 H new ATOM 549 N GLN A 36 -5.371 -6.892 -0.355 1.00 0.00 N ATOM 550 CA GLN A 36 -6.805 -7.111 -0.164 1.00 0.00 C ATOM 551 C GLN A 36 -7.479 -6.126 0.799 1.00 0.00 C ATOM 552 O GLN A 36 -8.704 -6.109 0.870 1.00 0.00 O ATOM 553 CB GLN A 36 -6.999 -8.538 0.374 1.00 0.00 C ATOM 554 CG GLN A 36 -6.369 -8.763 1.766 1.00 0.00 C ATOM 555 CD GLN A 36 -7.428 -8.983 2.841 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.156 -8.064 3.186 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.548 -10.179 3.384 1.00 0.00 N ATOM 0 H GLN A 36 -4.808 -7.593 0.126 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.279 -6.955 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.066 -8.756 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.564 -9.246 -0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.705 -9.627 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.757 -7.901 2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.934 -10.938 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.255 -10.345 4.101 1.00 0.00 H new ATOM 566 N LEU A 37 -6.700 -5.371 1.578 1.00 0.00 N ATOM 567 CA LEU A 37 -7.078 -4.600 2.742 1.00 0.00 C ATOM 568 C LEU A 37 -6.728 -3.132 2.486 1.00 0.00 C ATOM 569 O LEU A 37 -7.416 -2.268 3.001 1.00 0.00 O ATOM 570 CB LEU A 37 -6.473 -5.319 3.973 1.00 0.00 C ATOM 571 CG LEU A 37 -5.886 -4.529 5.149 1.00 0.00 C ATOM 572 CD1 LEU A 37 -4.557 -3.891 4.745 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.887 -3.550 5.763 1.00 0.00 C ATOM 0 H LEU A 37 -5.702 -5.283 1.384 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.146 -4.554 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.253 -5.962 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.683 -5.972 3.603 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.670 -5.226 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.150 -3.333 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.853 -4.670 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.718 -3.214 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.416 -3.019 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.206 -2.833 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.754 -4.099 6.131 1.00 0.00 H new ATOM 585 N HIS A 38 -5.790 -2.772 1.591 1.00 0.00 N ATOM 586 CA HIS A 38 -5.595 -1.354 1.220 1.00 0.00 C ATOM 587 C HIS A 38 -6.921 -0.655 0.853 1.00 0.00 C ATOM 588 O HIS A 38 -7.034 0.552 1.005 1.00 0.00 O ATOM 589 CB HIS A 38 -4.585 -1.188 0.094 1.00 0.00 C ATOM 590 CG HIS A 38 -5.212 -1.249 -1.274 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.553 -2.407 -1.919 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.807 -0.207 -1.934 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.368 -2.098 -2.929 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.568 -0.761 -2.953 1.00 0.00 N ATOM 0 H HIS A 38 -5.166 -3.426 1.119 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.194 -0.868 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.073 -0.233 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.827 -1.967 0.175 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.238 -3.345 -1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.704 0.843 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.801 -2.806 -3.620 1.00 0.00 H new ATOM 603 N ASN A 39 -7.902 -1.374 0.296 1.00 0.00 N ATOM 604 CA ASN A 39 -9.242 -0.882 -0.061 1.00 0.00 C ATOM 605 C ASN A 39 -9.997 -0.364 1.168 1.00 0.00 C ATOM 606 O ASN A 39 -10.706 0.645 1.102 1.00 0.00 O ATOM 607 CB ASN A 39 -10.086 -1.921 -0.835 1.00 0.00 C ATOM 608 CG ASN A 39 -9.700 -3.349 -0.502 1.00 0.00 C ATOM 609 OD1 ASN A 39 -8.612 -3.766 -0.902 1.00 0.00 O ATOM 610 ND2 ASN A 39 -10.482 -4.059 0.288 1.00 0.00 N ATOM 0 H ASN A 39 -7.780 -2.361 0.070 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.082 -0.046 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.141 -1.771 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.966 -1.756 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.193 -4.989 0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.376 -3.678 0.597 1.00 0.00 H new ATOM 617 N ASP A 40 -9.789 -0.985 2.323 1.00 0.00 N ATOM 618 CA ASP A 40 -10.219 -0.499 3.618 1.00 0.00 C ATOM 619 C ASP A 40 -9.476 0.810 3.936 1.00 0.00 C ATOM 620 O ASP A 40 -10.058 1.780 4.400 1.00 0.00 O ATOM 621 CB ASP A 40 -9.906 -1.564 4.691 1.00 0.00 C ATOM 622 CG ASP A 40 -11.105 -2.061 5.492 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.239 -2.015 4.978 1.00 0.00 O ATOM 624 OD2 ASP A 40 -10.875 -2.528 6.632 1.00 0.00 O ATOM 0 H ASP A 40 -9.296 -1.876 2.379 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.292 -0.308 3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.437 -2.419 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.173 -1.151 5.385 1.00 0.00 H new ATOM 629 N ILE A 41 -8.195 0.918 3.619 1.00 0.00 N ATOM 630 CA ILE A 41 -7.355 2.001 4.112 1.00 0.00 C ATOM 631 C ILE A 41 -7.680 3.317 3.405 1.00 0.00 C ATOM 632 O ILE A 41 -7.420 4.384 3.931 1.00 0.00 O ATOM 633 CB ILE A 41 -5.887 1.604 3.911 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.576 0.222 4.544 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.931 2.603 4.568 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.969 0.028 6.016 1.00 0.00 C ATOM 0 H ILE A 41 -7.708 0.258 3.013 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.546 2.162 5.173 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.740 1.581 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.081 -0.543 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.505 0.040 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.902 2.285 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.080 3.591 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.129 2.646 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.698 -0.978 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.444 0.758 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.044 0.166 6.127 1.00 0.00 H new ATOM 648 N LEU A 42 -8.300 3.292 2.228 1.00 0.00 N ATOM 649 CA LEU A 42 -8.609 4.503 1.464 1.00 0.00 C ATOM 650 C LEU A 42 -9.534 5.464 2.176 1.00 0.00 C ATOM 651 O LEU A 42 -9.544 6.651 1.873 1.00 0.00 O ATOM 652 CB LEU A 42 -9.234 4.135 0.147 1.00 0.00 C ATOM 653 CG LEU A 42 -8.219 3.302 -0.629 1.00 0.00 C ATOM 654 CD1 LEU A 42 -8.988 2.358 -1.489 1.00 0.00 C ATOM 655 CD2 LEU A 42 -7.144 4.136 -1.287 1.00 0.00 C ATOM 0 H LEU A 42 -8.604 2.431 1.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.655 5.012 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.153 3.570 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.502 5.031 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.602 2.692 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.296 1.742 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.609 1.718 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.622 2.923 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.454 3.484 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.603 4.833 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.599 4.693 -0.525 1.00 0.00 H new ATOM 667 N LEU A 43 -10.297 4.945 3.126 1.00 0.00 N ATOM 668 CA LEU A 43 -11.116 5.742 4.026 1.00 0.00 C ATOM 669 C LEU A 43 -10.661 5.447 5.449 1.00 0.00 C ATOM 670 O LEU A 43 -11.468 5.149 6.327 1.00 0.00 O ATOM 671 CB LEU A 43 -12.608 5.515 3.674 1.00 0.00 C ATOM 672 CG LEU A 43 -13.344 6.699 3.020 1.00 0.00 C ATOM 673 CD1 LEU A 43 -13.962 7.561 4.107 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.471 7.501 2.048 1.00 0.00 C ATOM 0 H LEU A 43 -10.365 3.942 3.296 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.993 6.820 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.674 4.659 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.138 5.246 4.588 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.139 6.299 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.485 8.402 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.668 6.966 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.177 7.935 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.054 8.319 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.611 7.906 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.126 6.849 1.246 1.00 0.00 H new ATOM 686 N ALA A 44 -9.339 5.507 5.653 1.00 0.00 N ATOM 687 CA ALA A 44 -8.738 5.188 6.949 1.00 0.00 C ATOM 688 C ALA A 44 -8.913 6.334 7.930 1.00 0.00 C ATOM 689 O ALA A 44 -9.102 6.090 9.119 1.00 0.00 O ATOM 690 CB ALA A 44 -7.242 4.893 6.826 1.00 0.00 C ATOM 0 H ALA A 44 -8.666 5.774 4.934 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.253 4.299 7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.835 4.661 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.092 4.042 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.731 5.766 6.418 1.00 0.00 H new ATOM 696 N LYS A 45 -8.780 7.571 7.449 1.00 0.00 N ATOM 697 CA LYS A 45 -8.787 8.761 8.280 1.00 0.00 C ATOM 698 C LYS A 45 -9.202 9.935 7.410 1.00 0.00 C ATOM 699 O LYS A 45 -10.324 10.423 7.503 1.00 0.00 O ATOM 700 CB LYS A 45 -7.398 8.904 8.947 1.00 0.00 C ATOM 701 CG LYS A 45 -7.344 9.913 10.098 1.00 0.00 C ATOM 702 CD LYS A 45 -7.357 11.362 9.614 1.00 0.00 C ATOM 703 CE LYS A 45 -7.293 12.297 10.809 1.00 0.00 C ATOM 704 NZ LYS A 45 -7.639 13.672 10.419 1.00 0.00 N ATOM 0 H LYS A 45 -8.663 7.770 6.455 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.507 8.709 9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.087 7.929 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.674 9.200 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.194 9.748 10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.443 9.739 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.510 11.543 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.261 11.555 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.978 11.951 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.291 12.278 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.147 14.344 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.348 13.837 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.666 13.809 10.504 1.00 0.00 H new ATOM 718 N ASP A 46 -8.309 10.357 6.530 1.00 0.00 N ATOM 719 CA ASP A 46 -8.405 11.472 5.588 1.00 0.00 C ATOM 720 C ASP A 46 -7.857 10.960 4.272 1.00 0.00 C ATOM 721 O ASP A 46 -7.013 10.067 4.315 1.00 0.00 O ATOM 722 CB ASP A 46 -7.493 12.639 6.020 1.00 0.00 C ATOM 723 CG ASP A 46 -8.099 13.600 7.035 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.336 13.721 7.155 1.00 0.00 O ATOM 725 OD2 ASP A 46 -7.359 14.251 7.797 1.00 0.00 O ATOM 0 H ASP A 46 -7.409 9.884 6.445 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.436 11.820 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.576 12.225 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.211 13.205 5.132 1.00 0.00 H new ATOM 730 N THR A 47 -8.242 11.559 3.142 1.00 0.00 N ATOM 731 CA THR A 47 -7.808 11.170 1.802 1.00 0.00 C ATOM 732 C THR A 47 -6.280 11.037 1.697 1.00 0.00 C ATOM 733 O THR A 47 -5.797 10.166 0.968 1.00 0.00 O ATOM 734 CB THR A 47 -8.376 12.202 0.805 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.769 12.343 1.011 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.155 11.820 -0.658 1.00 0.00 C ATOM 0 H THR A 47 -8.884 12.352 3.137 1.00 0.00 H new ATOM 0 HA THR A 47 -8.193 10.178 1.565 1.00 0.00 H new ATOM 0 HB THR A 47 -7.840 13.132 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.128 13.000 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.579 12.590 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.086 11.731 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.642 10.866 -0.863 1.00 0.00 H new ATOM 744 N THR A 48 -5.533 11.873 2.422 1.00 0.00 N ATOM 745 CA THR A 48 -4.082 11.861 2.500 1.00 0.00 C ATOM 746 C THR A 48 -3.609 10.593 3.222 1.00 0.00 C ATOM 747 O THR A 48 -3.210 9.636 2.557 1.00 0.00 O ATOM 748 CB THR A 48 -3.617 13.148 3.207 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.395 14.247 2.781 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.144 13.407 2.914 1.00 0.00 C ATOM 0 H THR A 48 -5.948 12.608 2.994 1.00 0.00 H new ATOM 0 HA THR A 48 -3.640 11.841 1.504 1.00 0.00 H new ATOM 0 HB THR A 48 -3.745 13.021 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.092 15.059 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.827 14.319 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.548 12.568 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.001 13.519 1.839 1.00 0.00 H new ATOM 758 N GLU A 49 -3.690 10.568 4.563 1.00 0.00 N ATOM 759 CA GLU A 49 -3.125 9.519 5.409 1.00 0.00 C ATOM 760 C GLU A 49 -3.671 8.141 5.039 1.00 0.00 C ATOM 761 O GLU A 49 -3.031 7.132 5.306 1.00 0.00 O ATOM 762 CB GLU A 49 -3.429 9.782 6.891 1.00 0.00 C ATOM 763 CG GLU A 49 -2.472 10.757 7.581 1.00 0.00 C ATOM 764 CD GLU A 49 -2.613 10.657 9.103 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.754 10.762 9.612 1.00 0.00 O ATOM 766 OE2 GLU A 49 -1.602 10.416 9.800 1.00 0.00 O ATOM 0 H GLU A 49 -4.163 11.298 5.096 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.048 9.534 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.444 10.171 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.406 8.833 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.445 10.536 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.684 11.776 7.256 1.00 0.00 H new ATOM 773 N ALA A 50 -4.861 8.077 4.453 1.00 0.00 N ATOM 774 CA ALA A 50 -5.462 6.889 3.900 1.00 0.00 C ATOM 775 C ALA A 50 -4.602 6.286 2.794 1.00 0.00 C ATOM 776 O ALA A 50 -3.937 5.273 2.995 1.00 0.00 O ATOM 777 CB ALA A 50 -6.845 7.280 3.383 1.00 0.00 C ATOM 0 H ALA A 50 -5.456 8.899 4.350 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.547 6.118 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.334 6.405 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.446 7.665 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.743 8.049 2.618 1.00 0.00 H new ATOM 783 N PHE A 51 -4.643 6.883 1.607 1.00 0.00 N ATOM 784 CA PHE A 51 -3.869 6.412 0.465 1.00 0.00 C ATOM 785 C PHE A 51 -2.384 6.258 0.833 1.00 0.00 C ATOM 786 O PHE A 51 -1.740 5.309 0.393 1.00 0.00 O ATOM 787 CB PHE A 51 -4.108 7.290 -0.766 1.00 0.00 C ATOM 788 CG PHE A 51 -2.836 7.797 -1.410 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.180 7.025 -2.387 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.221 8.958 -0.917 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.913 7.400 -2.859 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.960 9.340 -1.394 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.298 8.556 -2.356 1.00 0.00 C ATOM 0 H PHE A 51 -5.213 7.706 1.410 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.217 5.416 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.675 6.721 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.724 8.142 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.656 6.137 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.720 9.557 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.413 6.801 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.494 10.240 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.682 8.844 -2.707 1.00 0.00 H new ATOM 803 N GLU A 52 -1.852 7.143 1.673 1.00 0.00 N ATOM 804 CA GLU A 52 -0.492 7.056 2.174 1.00 0.00 C ATOM 805 C GLU A 52 -0.282 5.758 2.952 1.00 0.00 C ATOM 806 O GLU A 52 0.602 4.971 2.610 1.00 0.00 O ATOM 807 CB GLU A 52 -0.196 8.293 3.035 1.00 0.00 C ATOM 808 CG GLU A 52 0.185 9.496 2.145 1.00 0.00 C ATOM 809 CD GLU A 52 1.422 10.285 2.583 1.00 0.00 C ATOM 810 OE1 GLU A 52 1.598 10.509 3.800 1.00 0.00 O ATOM 811 OE2 GLU A 52 2.194 10.667 1.667 1.00 0.00 O ATOM 0 H GLU A 52 -2.365 7.950 2.027 1.00 0.00 H new ATOM 0 HA GLU A 52 0.207 7.038 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.070 8.541 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.617 8.075 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.349 9.135 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.664 10.179 2.108 1.00 0.00 H new ATOM 818 N LYS A 53 -1.108 5.482 3.963 1.00 0.00 N ATOM 819 CA LYS A 53 -1.001 4.247 4.728 1.00 0.00 C ATOM 820 C LYS A 53 -1.212 3.028 3.828 1.00 0.00 C ATOM 821 O LYS A 53 -0.517 2.037 4.029 1.00 0.00 O ATOM 822 CB LYS A 53 -1.932 4.305 5.945 1.00 0.00 C ATOM 823 CG LYS A 53 -1.650 3.211 6.993 1.00 0.00 C ATOM 824 CD LYS A 53 -2.234 3.576 8.369 1.00 0.00 C ATOM 825 CE LYS A 53 -1.458 4.738 9.014 1.00 0.00 C ATOM 826 NZ LYS A 53 -2.318 5.617 9.825 1.00 0.00 N ATOM 0 H LYS A 53 -1.859 6.101 4.268 1.00 0.00 H new ATOM 0 HA LYS A 53 0.009 4.137 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.837 5.282 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.964 4.214 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.076 2.266 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.574 3.062 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.283 3.852 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.200 2.705 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.664 4.334 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.978 5.327 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.744 6.381 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.061 6.026 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.756 5.065 10.589 1.00 0.00 H new ATOM 840 N MET A 54 -2.041 3.117 2.784 1.00 0.00 N ATOM 841 CA MET A 54 -2.162 2.130 1.708 1.00 0.00 C ATOM 842 C MET A 54 -0.827 1.783 1.030 1.00 0.00 C ATOM 843 O MET A 54 -0.630 0.635 0.629 1.00 0.00 O ATOM 844 CB MET A 54 -3.260 2.574 0.717 1.00 0.00 C ATOM 845 CG MET A 54 -2.954 2.237 -0.750 1.00 0.00 C ATOM 846 SD MET A 54 -4.067 2.915 -2.003 1.00 0.00 S ATOM 847 CE MET A 54 -2.860 3.416 -3.261 1.00 0.00 C ATOM 0 H MET A 54 -2.671 3.910 2.661 1.00 0.00 H new ATOM 0 HA MET A 54 -2.471 1.185 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.201 2.102 0.998 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.404 3.651 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.944 2.582 -0.972 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.950 1.152 -0.854 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.380 3.874 -4.102 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.163 4.135 -2.831 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.310 2.541 -3.607 1.00 0.00 H new ATOM 857 N VAL A 55 0.074 2.742 0.848 1.00 0.00 N ATOM 858 CA VAL A 55 1.398 2.524 0.264 1.00 0.00 C ATOM 859 C VAL A 55 2.375 2.068 1.366 1.00 0.00 C ATOM 860 O VAL A 55 3.326 1.336 1.069 1.00 0.00 O ATOM 861 CB VAL A 55 1.784 3.815 -0.500 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.147 3.771 -1.200 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.767 4.109 -1.624 1.00 0.00 C ATOM 0 H VAL A 55 -0.096 3.714 1.107 1.00 0.00 H new ATOM 0 HA VAL A 55 1.424 1.716 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 55 1.805 4.574 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.327 4.719 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.930 3.600 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.155 2.962 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.057 5.020 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.750 3.276 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.225 4.239 -1.192 1.00 0.00 H new ATOM 873 N SER A 56 2.100 2.381 2.639 1.00 0.00 N ATOM 874 CA SER A 56 2.929 1.993 3.772 1.00 0.00 C ATOM 875 C SER A 56 2.992 0.475 3.943 1.00 0.00 C ATOM 876 O SER A 56 4.058 -0.115 3.765 1.00 0.00 O ATOM 877 CB SER A 56 2.535 2.784 5.031 1.00 0.00 C ATOM 878 OG SER A 56 1.470 2.211 5.759 1.00 0.00 O ATOM 0 H SER A 56 1.278 2.921 2.908 1.00 0.00 H new ATOM 0 HA SER A 56 3.963 2.273 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.405 2.866 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.259 3.797 4.739 1.00 0.00 H new ATOM 0 HG SER A 56 0.704 2.072 5.163 1.00 0.00 H new ATOM 884 N LEU A 57 1.839 -0.161 4.180 1.00 0.00 N ATOM 885 CA LEU A 57 1.655 -1.596 4.359 1.00 0.00 C ATOM 886 C LEU A 57 2.471 -2.372 3.355 1.00 0.00 C ATOM 887 O LEU A 57 3.285 -3.202 3.737 1.00 0.00 O ATOM 888 CB LEU A 57 0.184 -2.053 4.257 1.00 0.00 C ATOM 889 CG LEU A 57 -0.781 -1.195 3.410 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.443 -1.958 2.253 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.924 -0.714 4.293 1.00 0.00 C ATOM 0 H LEU A 57 0.959 0.349 4.256 1.00 0.00 H new ATOM 0 HA LEU A 57 1.995 -1.803 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.175 -3.065 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.219 -2.111 5.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.172 -0.390 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.106 -1.287 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.674 -2.337 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.020 -2.793 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.610 -0.107 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.457 -1.574 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.524 -0.116 5.112 1.00 0.00 H new ATOM 903 N LEU A 58 2.265 -2.122 2.064 1.00 0.00 N ATOM 904 CA LEU A 58 2.911 -2.931 1.045 1.00 0.00 C ATOM 905 C LEU A 58 4.427 -2.725 1.001 1.00 0.00 C ATOM 906 O LEU A 58 5.140 -3.630 0.565 1.00 0.00 O ATOM 907 CB LEU A 58 2.244 -2.700 -0.317 1.00 0.00 C ATOM 908 CG LEU A 58 1.521 -3.962 -0.799 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.270 -4.305 0.019 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.175 -3.776 -2.274 1.00 0.00 C ATOM 0 H LEU A 58 1.666 -1.378 1.707 1.00 0.00 H new ATOM 0 HA LEU A 58 2.773 -3.979 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.534 -1.876 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.997 -2.407 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 58 2.191 -4.810 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.189 -5.210 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.549 -4.469 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.441 -3.481 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.659 -4.663 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.529 -2.906 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.090 -3.626 -2.846 1.00 0.00 H new ATOM 922 N SER A 59 4.933 -1.584 1.468 1.00 0.00 N ATOM 923 CA SER A 59 6.362 -1.332 1.592 1.00 0.00 C ATOM 924 C SER A 59 6.994 -2.195 2.691 1.00 0.00 C ATOM 925 O SER A 59 8.047 -2.800 2.483 1.00 0.00 O ATOM 926 CB SER A 59 6.597 0.173 1.795 1.00 0.00 C ATOM 927 OG SER A 59 6.035 0.918 0.721 1.00 0.00 O ATOM 0 H SER A 59 4.353 -0.802 1.773 1.00 0.00 H new ATOM 0 HA SER A 59 6.864 -1.626 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.152 0.492 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.666 0.373 1.863 1.00 0.00 H new ATOM 0 HG SER A 59 5.073 1.031 0.870 1.00 0.00 H new ATOM 933 N VAL A 60 6.324 -2.317 3.831 1.00 0.00 N ATOM 934 CA VAL A 60 6.823 -3.105 4.958 1.00 0.00 C ATOM 935 C VAL A 60 6.515 -4.599 4.775 1.00 0.00 C ATOM 936 O VAL A 60 7.332 -5.452 5.121 1.00 0.00 O ATOM 937 CB VAL A 60 6.356 -2.489 6.294 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.833 -2.431 6.467 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.994 -3.222 7.478 1.00 0.00 C ATOM 0 H VAL A 60 5.421 -1.875 4.003 1.00 0.00 H new ATOM 0 HA VAL A 60 7.912 -3.060 4.989 1.00 0.00 H new ATOM 0 HB VAL A 60 6.694 -1.453 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.593 -1.985 7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.399 -1.827 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.423 -3.440 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.652 -2.773 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.705 -4.273 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.079 -3.143 7.413 1.00 0.00 H new ATOM 949 N LEU A 61 5.391 -4.972 4.164 1.00 0.00 N ATOM 950 CA LEU A 61 5.050 -6.348 3.790 1.00 0.00 C ATOM 951 C LEU A 61 6.074 -6.899 2.793 1.00 0.00 C ATOM 952 O LEU A 61 6.379 -8.093 2.824 1.00 0.00 O ATOM 953 CB LEU A 61 3.598 -6.343 3.272 1.00 0.00 C ATOM 954 CG LEU A 61 3.081 -7.459 2.348 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.705 -7.359 0.947 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.184 -8.863 2.952 1.00 0.00 C ATOM 0 H LEU A 61 4.666 -4.302 3.906 1.00 0.00 H new ATOM 0 HA LEU A 61 5.097 -7.026 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.947 -6.326 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.450 -5.400 2.746 1.00 0.00 H new ATOM 0 HG LEU A 61 2.010 -7.292 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.319 -8.162 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.451 -6.397 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.789 -7.448 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.800 -9.594 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.227 -9.087 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.598 -8.908 3.870 1.00 0.00 H new ATOM 968 N LEU A 62 6.675 -6.041 1.958 1.00 0.00 N ATOM 969 CA LEU A 62 7.687 -6.456 1.000 1.00 0.00 C ATOM 970 C LEU A 62 8.871 -7.120 1.716 1.00 0.00 C ATOM 971 O LEU A 62 9.513 -7.996 1.147 1.00 0.00 O ATOM 972 CB LEU A 62 8.135 -5.241 0.171 1.00 0.00 C ATOM 973 CG LEU A 62 7.849 -5.385 -1.332 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.783 -4.002 -1.991 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.910 -6.230 -2.025 1.00 0.00 C ATOM 0 H LEU A 62 6.468 -5.043 1.934 1.00 0.00 H new ATOM 0 HA LEU A 62 7.264 -7.198 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.631 -4.350 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.204 -5.086 0.316 1.00 0.00 H new ATOM 0 HG LEU A 62 6.889 -5.889 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.580 -4.116 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.987 -3.417 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.735 -3.489 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.675 -6.310 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.886 -5.760 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.929 -7.225 -1.581 1.00 0.00 H new ATOM 987 N SER A 63 9.120 -6.770 2.984 1.00 0.00 N ATOM 988 CA SER A 63 10.165 -7.347 3.824 1.00 0.00 C ATOM 989 C SER A 63 10.052 -8.870 3.805 1.00 0.00 C ATOM 990 O SER A 63 10.963 -9.564 3.347 1.00 0.00 O ATOM 991 CB SER A 63 10.030 -6.760 5.235 1.00 0.00 C ATOM 992 OG SER A 63 10.959 -7.234 6.183 1.00 0.00 O ATOM 0 H SER A 63 8.578 -6.052 3.465 1.00 0.00 H new ATOM 0 HA SER A 63 11.158 -7.099 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.126 -5.676 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.025 -6.969 5.602 1.00 0.00 H new ATOM 0 HG SER A 63 10.794 -6.802 7.047 1.00 0.00 H new ATOM 998 N MET A 64 8.905 -9.396 4.234 1.00 0.00 N ATOM 999 CA MET A 64 8.687 -10.831 4.262 1.00 0.00 C ATOM 1000 C MET A 64 8.529 -11.379 2.855 1.00 0.00 C ATOM 1001 O MET A 64 8.945 -12.512 2.603 1.00 0.00 O ATOM 1002 CB MET A 64 7.485 -11.215 5.130 1.00 0.00 C ATOM 1003 CG MET A 64 6.148 -10.627 4.651 1.00 0.00 C ATOM 1004 SD MET A 64 4.706 -11.114 5.645 1.00 0.00 S ATOM 1005 CE MET A 64 5.162 -10.429 7.260 1.00 0.00 C ATOM 0 H MET A 64 8.115 -8.843 4.566 1.00 0.00 H new ATOM 0 HA MET A 64 9.570 -11.281 4.715 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.403 -12.302 5.156 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.669 -10.884 6.152 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.223 -9.540 4.653 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.981 -10.933 3.618 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.284 -10.405 7.906 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.931 -11.053 7.716 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.545 -9.417 7.131 1.00 0.00 H new ATOM 1015 N GLN A 65 7.983 -10.582 1.932 1.00 0.00 N ATOM 1016 CA GLN A 65 7.770 -10.991 0.554 1.00 0.00 C ATOM 1017 C GLN A 65 9.110 -11.398 -0.094 1.00 0.00 C ATOM 1018 O GLN A 65 9.131 -12.280 -0.958 1.00 0.00 O ATOM 1019 CB GLN A 65 7.075 -9.835 -0.185 1.00 0.00 C ATOM 1020 CG GLN A 65 6.425 -10.160 -1.533 1.00 0.00 C ATOM 1021 CD GLN A 65 7.435 -10.322 -2.664 1.00 0.00 C ATOM 1022 OE1 GLN A 65 8.311 -9.490 -2.860 1.00 0.00 O ATOM 1023 NE2 GLN A 65 7.354 -11.398 -3.420 1.00 0.00 N ATOM 0 H GLN A 65 7.677 -9.629 2.129 1.00 0.00 H new ATOM 0 HA GLN A 65 7.127 -11.869 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.307 -9.427 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.809 -9.046 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.846 -11.078 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.724 -9.366 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.621 -12.087 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.024 -11.542 -4.175 1.00 0.00 H new ATOM 1032 N GLY A 66 10.221 -10.819 0.378 1.00 0.00 N ATOM 1033 CA GLY A 66 11.586 -11.188 0.019 1.00 0.00 C ATOM 1034 C GLY A 66 12.605 -10.059 0.208 1.00 0.00 C ATOM 1035 O GLY A 66 13.782 -10.260 -0.097 1.00 0.00 O ATOM 0 H GLY A 66 10.186 -10.050 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.891 -12.044 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.603 -11.509 -1.023 1.00 0.00 H new ATOM 1039 N ALA A 67 12.191 -8.875 0.670 1.00 0.00 N ATOM 1040 CA ALA A 67 12.972 -7.655 0.513 1.00 0.00 C ATOM 1041 C ALA A 67 13.820 -7.393 1.755 1.00 0.00 C ATOM 1042 O ALA A 67 13.391 -6.669 2.656 1.00 0.00 O ATOM 1043 CB ALA A 67 12.041 -6.488 0.174 1.00 0.00 C ATOM 0 H ALA A 67 11.307 -8.741 1.161 1.00 0.00 H new ATOM 0 HA ALA A 67 13.670 -7.770 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.628 -5.577 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.513 -6.702 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.318 -6.354 0.979 1.00 0.00 H new ATOM 1049 N VAL A 68 15.023 -7.972 1.794 1.00 0.00 N ATOM 1050 CA VAL A 68 15.939 -7.967 2.939 1.00 0.00 C ATOM 1051 C VAL A 68 16.090 -6.576 3.568 1.00 0.00 C ATOM 1052 O VAL A 68 15.928 -6.430 4.780 1.00 0.00 O ATOM 1053 CB VAL A 68 17.292 -8.601 2.544 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.077 -10.034 2.040 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.065 -7.840 1.458 1.00 0.00 C ATOM 0 H VAL A 68 15.402 -8.479 0.994 1.00 0.00 H new ATOM 0 HA VAL A 68 15.502 -8.585 3.724 1.00 0.00 H new ATOM 0 HB VAL A 68 17.890 -8.568 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.037 -10.471 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.619 -10.632 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.422 -10.019 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.000 -8.358 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.464 -7.791 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.281 -6.830 1.805 1.00 0.00 H new ATOM 1065 N ASP A 69 16.262 -5.540 2.753 1.00 0.00 N ATOM 1066 CA ASP A 69 16.176 -4.142 3.137 1.00 0.00 C ATOM 1067 C ASP A 69 15.303 -3.512 2.065 1.00 0.00 C ATOM 1068 O ASP A 69 15.660 -3.563 0.889 1.00 0.00 O ATOM 1069 CB ASP A 69 17.567 -3.469 3.193 1.00 0.00 C ATOM 1070 CG ASP A 69 18.219 -3.384 4.577 1.00 0.00 C ATOM 1071 OD1 ASP A 69 17.482 -3.330 5.594 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.461 -3.259 4.648 1.00 0.00 O ATOM 0 H ASP A 69 16.475 -5.662 1.763 1.00 0.00 H new ATOM 0 HA ASP A 69 15.764 -4.021 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.239 -4.014 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.476 -2.459 2.794 1.00 0.00 H new ATOM 1077 N ILE A 70 14.148 -2.954 2.441 1.00 0.00 N ATOM 1078 CA ILE A 70 13.421 -1.973 1.642 1.00 0.00 C ATOM 1079 C ILE A 70 12.610 -0.993 2.496 1.00 0.00 C ATOM 1080 O ILE A 70 11.780 -0.275 1.952 1.00 0.00 O ATOM 1081 CB ILE A 70 12.611 -2.655 0.519 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.326 -1.761 -0.706 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.312 -3.277 1.042 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.605 -1.189 -1.326 1.00 0.00 C ATOM 0 H ILE A 70 13.688 -3.177 3.324 1.00 0.00 H new ATOM 0 HA ILE A 70 14.158 -1.344 1.142 1.00 0.00 H new ATOM 0 HB ILE A 70 13.267 -3.450 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.790 -2.340 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.672 -0.941 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.775 -3.745 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.546 -4.029 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.689 -2.500 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.347 -0.568 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.130 -0.585 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.249 -2.006 -1.650 1.00 0.00 H new ATOM 1096 N ASN A 71 12.818 -0.930 3.817 1.00 0.00 N ATOM 1097 CA ASN A 71 12.313 0.213 4.575 1.00 0.00 C ATOM 1098 C ASN A 71 13.389 1.279 4.591 1.00 0.00 C ATOM 1099 O ASN A 71 13.137 2.372 4.104 1.00 0.00 O ATOM 1100 CB ASN A 71 11.862 -0.165 5.987 1.00 0.00 C ATOM 1101 CG ASN A 71 11.060 0.925 6.697 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.284 0.610 7.595 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.211 2.197 6.353 1.00 0.00 N ATOM 0 H ASN A 71 13.315 -1.632 4.365 1.00 0.00 H new ATOM 0 HA ASN A 71 11.417 0.596 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.257 -1.070 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.741 -0.404 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.680 2.922 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.858 2.450 5.606 1.00 0.00 H new ATOM 1110 N ARG A 72 14.567 0.979 5.150 1.00 0.00 N ATOM 1111 CA ARG A 72 15.630 1.941 5.422 1.00 0.00 C ATOM 1112 C ARG A 72 16.034 2.714 4.168 1.00 0.00 C ATOM 1113 O ARG A 72 15.646 3.857 4.027 1.00 0.00 O ATOM 1114 CB ARG A 72 16.786 1.135 6.037 1.00 0.00 C ATOM 1115 CG ARG A 72 16.429 0.466 7.380 1.00 0.00 C ATOM 1116 CD ARG A 72 17.008 -0.951 7.446 1.00 0.00 C ATOM 1117 NE ARG A 72 17.061 -1.510 8.810 1.00 0.00 N ATOM 1118 CZ ARG A 72 17.758 -2.600 9.161 1.00 0.00 C ATOM 1119 NH1 ARG A 72 18.398 -3.310 8.237 1.00 0.00 N ATOM 1120 NH2 ARG A 72 17.821 -2.987 10.434 1.00 0.00 N ATOM 0 H ARG A 72 14.810 0.029 5.433 1.00 0.00 H new ATOM 0 HA ARG A 72 15.301 2.715 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.098 0.366 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.640 1.796 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.818 1.063 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.346 0.428 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.408 -1.608 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.015 -0.942 7.028 1.00 0.00 H new ATOM 0 HE ARG A 72 16.529 -1.033 9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.359 -3.026 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.928 -4.139 8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.336 -2.452 11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.355 -3.818 10.689 1.00 0.00 H new ATOM 1134 N LEU A 73 16.702 2.109 3.191 1.00 0.00 N ATOM 1135 CA LEU A 73 17.036 2.729 1.906 1.00 0.00 C ATOM 1136 C LEU A 73 15.829 3.156 1.058 1.00 0.00 C ATOM 1137 O LEU A 73 16.030 3.656 -0.049 1.00 0.00 O ATOM 1138 CB LEU A 73 17.938 1.791 1.084 1.00 0.00 C ATOM 1139 CG LEU A 73 17.249 0.557 0.475 1.00 0.00 C ATOM 1140 CD1 LEU A 73 18.272 -0.332 -0.238 1.00 0.00 C ATOM 1141 CD2 LEU A 73 16.570 -0.292 1.541 1.00 0.00 C ATOM 0 H LEU A 73 17.036 1.149 3.270 1.00 0.00 H new ATOM 0 HA LEU A 73 17.559 3.651 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.388 2.368 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.752 1.450 1.723 1.00 0.00 H new ATOM 0 HG LEU A 73 16.503 0.931 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.767 -1.200 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.753 0.234 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.026 -0.664 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.095 -1.154 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.313 -0.635 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.815 0.304 2.054 1.00 0.00 H new ATOM 1153 N CYS A 74 14.589 2.928 1.498 1.00 0.00 N ATOM 1154 CA CYS A 74 13.411 3.416 0.815 1.00 0.00 C ATOM 1155 C CYS A 74 12.878 4.645 1.542 1.00 0.00 C ATOM 1156 O CYS A 74 12.086 5.331 0.919 1.00 0.00 O ATOM 1157 CB CYS A 74 12.376 2.290 0.699 1.00 0.00 C ATOM 1158 SG CYS A 74 11.207 2.567 -0.671 1.00 0.00 S ATOM 0 H CYS A 74 14.384 2.396 2.344 1.00 0.00 H new ATOM 0 HA CYS A 74 13.655 3.725 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.890 1.341 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.823 2.209 1.635 1.00 0.00 H new ATOM 0 HG CYS A 74 10.358 1.584 -0.722 1.00 0.00 H new ATOM 1164 N GLU A 75 13.308 4.974 2.775 1.00 0.00 N ATOM 1165 CA GLU A 75 12.735 5.996 3.663 1.00 0.00 C ATOM 1166 C GLU A 75 12.507 7.329 2.927 1.00 0.00 C ATOM 1167 O GLU A 75 11.507 8.018 3.117 1.00 0.00 O ATOM 1168 CB GLU A 75 13.607 6.124 4.937 1.00 0.00 C ATOM 1169 CG GLU A 75 15.015 6.736 4.729 1.00 0.00 C ATOM 1170 CD GLU A 75 15.265 7.919 5.662 1.00 0.00 C ATOM 1171 OE1 GLU A 75 15.612 7.628 6.830 1.00 0.00 O ATOM 1172 OE2 GLU A 75 15.127 9.110 5.280 1.00 0.00 O ATOM 0 H GLU A 75 14.109 4.506 3.199 1.00 0.00 H new ATOM 0 HA GLU A 75 11.741 5.683 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.070 6.734 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.723 5.133 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.772 5.971 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 75 15.120 7.061 3.694 1.00 0.00 H new ATOM 1179 N GLU A 76 13.370 7.615 1.957 1.00 0.00 N ATOM 1180 CA GLU A 76 13.336 8.715 1.007 1.00 0.00 C ATOM 1181 C GLU A 76 12.072 8.758 0.117 1.00 0.00 C ATOM 1182 O GLU A 76 11.925 9.700 -0.663 1.00 0.00 O ATOM 1183 CB GLU A 76 14.599 8.577 0.144 1.00 0.00 C ATOM 1184 CG GLU A 76 15.896 8.801 0.954 1.00 0.00 C ATOM 1185 CD GLU A 76 17.092 7.933 0.540 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.001 7.149 -0.431 1.00 0.00 O ATOM 1187 OE2 GLU A 76 18.153 8.018 1.202 1.00 0.00 O ATOM 0 H GLU A 76 14.187 7.024 1.804 1.00 0.00 H new ATOM 0 HA GLU A 76 13.303 9.653 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.622 7.584 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.557 9.296 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.182 9.849 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.683 8.616 2.007 1.00 0.00 H new ATOM 1194 N MET A 77 11.162 7.780 0.192 1.00 0.00 N ATOM 1195 CA MET A 77 9.915 7.702 -0.561 1.00 0.00 C ATOM 1196 C MET A 77 8.703 7.652 0.368 1.00 0.00 C ATOM 1197 O MET A 77 7.579 7.685 -0.140 1.00 0.00 O ATOM 1198 CB MET A 77 9.954 6.481 -1.502 1.00 0.00 C ATOM 1199 CG MET A 77 10.167 6.870 -2.967 1.00 0.00 C ATOM 1200 SD MET A 77 11.232 5.732 -3.891 1.00 0.00 S ATOM 1201 CE MET A 77 12.833 6.308 -3.273 1.00 0.00 C ATOM 0 H MET A 77 11.287 6.981 0.814 1.00 0.00 H new ATOM 0 HA MET A 77 9.813 8.605 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.755 5.811 -1.188 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.020 5.927 -1.410 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.197 6.924 -3.461 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.601 7.869 -3.006 1.00 0.00 H new ATOM 0 HE1 MET A 77 13.631 5.723 -3.730 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.963 7.360 -3.526 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.870 6.188 -2.190 1.00 0.00 H new ATOM 1211 N LEU A 78 8.899 7.561 1.693 1.00 0.00 N ATOM 1212 CA LEU A 78 7.849 7.461 2.686 1.00 0.00 C ATOM 1213 C LEU A 78 8.032 8.562 3.742 1.00 0.00 C ATOM 1214 O LEU A 78 7.239 9.497 3.810 1.00 0.00 O ATOM 1215 CB LEU A 78 7.855 6.071 3.356 1.00 0.00 C ATOM 1216 CG LEU A 78 8.141 4.800 2.531 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.036 4.433 1.538 1.00 0.00 C ATOM 1218 CD2 LEU A 78 9.511 4.633 1.888 1.00 0.00 C ATOM 0 H LEU A 78 9.832 7.556 2.104 1.00 0.00 H new ATOM 0 HA LEU A 78 6.887 7.592 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.592 6.105 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.880 5.937 3.824 1.00 0.00 H new ATOM 0 HG LEU A 78 8.153 4.077 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.317 3.528 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.105 4.260 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.898 5.249 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.546 3.688 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.691 5.455 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.279 4.636 2.662 1.00 0.00 H new ATOM 1230 N ASP A 79 9.114 8.509 4.524 1.00 0.00 N ATOM 1231 CA ASP A 79 9.466 9.508 5.535 1.00 0.00 C ATOM 1232 C ASP A 79 9.635 10.866 4.869 1.00 0.00 C ATOM 1233 O ASP A 79 9.286 11.904 5.421 1.00 0.00 O ATOM 1234 CB ASP A 79 10.799 9.175 6.224 1.00 0.00 C ATOM 1235 CG ASP A 79 10.729 7.992 7.187 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.559 6.835 6.738 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.903 8.203 8.411 1.00 0.00 O ATOM 0 H ASP A 79 9.789 7.746 4.469 1.00 0.00 H new ATOM 0 HA ASP A 79 8.664 9.515 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.547 8.963 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.142 10.054 6.770 1.00 0.00 H new ATOM 1242 N ASN A 80 10.176 10.881 3.658 1.00 0.00 N ATOM 1243 CA ASN A 80 10.339 12.094 2.869 1.00 0.00 C ATOM 1244 C ASN A 80 9.051 12.542 2.183 1.00 0.00 C ATOM 1245 O ASN A 80 8.964 13.672 1.706 1.00 0.00 O ATOM 1246 CB ASN A 80 11.387 11.779 1.816 1.00 0.00 C ATOM 1247 CG ASN A 80 11.909 13.015 1.115 1.00 0.00 C ATOM 1248 OD1 ASN A 80 11.379 13.456 0.099 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.985 13.586 1.621 1.00 0.00 N ATOM 0 H ASN A 80 10.518 10.041 3.191 1.00 0.00 H new ATOM 0 HA ASN A 80 10.630 12.912 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.220 11.255 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.960 11.102 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.388 14.406 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.414 13.208 2.466 1.00 0.00 H new ATOM 1256 N ARG A 81 8.059 11.656 2.089 1.00 0.00 N ATOM 1257 CA ARG A 81 6.897 11.862 1.242 1.00 0.00 C ATOM 1258 C ARG A 81 5.989 12.942 1.784 1.00 0.00 C ATOM 1259 O ARG A 81 5.416 13.697 0.998 1.00 0.00 O ATOM 1260 CB ARG A 81 6.115 10.544 1.144 1.00 0.00 C ATOM 1261 CG ARG A 81 5.078 10.513 0.029 1.00 0.00 C ATOM 1262 CD ARG A 81 5.791 10.587 -1.314 1.00 0.00 C ATOM 1263 NE ARG A 81 4.893 10.702 -2.471 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.001 11.662 -2.748 1.00 0.00 C ATOM 1265 NH1 ARG A 81 3.781 12.677 -1.914 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.329 11.584 -3.892 1.00 0.00 N ATOM 0 H ARG A 81 8.044 10.775 2.602 1.00 0.00 H new ATOM 0 HA ARG A 81 7.244 12.182 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.820 9.727 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.615 10.360 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.486 9.600 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.387 11.349 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.466 11.443 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.407 9.696 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 81 4.958 9.949 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.298 12.738 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.095 13.393 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.499 10.808 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.643 12.300 -4.130 1.00 0.00 H new ATOM 1280 N ALA A 82 5.842 12.932 3.106 1.00 0.00 N ATOM 1281 CA ALA A 82 5.026 13.835 3.889 1.00 0.00 C ATOM 1282 C ALA A 82 5.447 13.812 5.363 1.00 0.00 C ATOM 1283 O ALA A 82 4.734 14.391 6.184 1.00 0.00 O ATOM 1284 CB ALA A 82 3.554 13.410 3.771 1.00 0.00 C ATOM 0 H ALA A 82 6.323 12.247 3.689 1.00 0.00 H new ATOM 0 HA ALA A 82 5.158 14.848 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.932 14.086 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.246 13.450 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.438 12.393 4.145 1.00 0.00 H new ATOM 1290 N THR A 83 6.534 13.112 5.738 1.00 0.00 N ATOM 1291 CA THR A 83 6.893 12.810 7.134 1.00 0.00 C ATOM 1292 C THR A 83 5.813 11.999 7.875 1.00 0.00 C ATOM 1293 O THR A 83 5.808 11.934 9.105 1.00 0.00 O ATOM 1294 CB THR A 83 7.429 14.068 7.862 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.424 15.003 8.196 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.463 14.819 7.012 1.00 0.00 C ATOM 0 H THR A 83 7.200 12.733 5.064 1.00 0.00 H new ATOM 0 HA THR A 83 7.736 12.119 7.130 1.00 0.00 H new ATOM 0 HB THR A 83 7.874 13.674 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.604 14.791 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.815 15.695 7.557 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.306 14.161 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.004 15.135 6.075 1.00 0.00 H new ATOM 1304 N LEU A 84 4.910 11.347 7.127 1.00 0.00 N ATOM 1305 CA LEU A 84 3.687 10.721 7.638 1.00 0.00 C ATOM 1306 C LEU A 84 3.354 9.389 6.961 1.00 0.00 C ATOM 1307 O LEU A 84 2.617 8.583 7.539 1.00 0.00 O ATOM 1308 CB LEU A 84 2.519 11.703 7.467 1.00 0.00 C ATOM 1309 CG LEU A 84 1.712 11.976 8.749 1.00 0.00 C ATOM 1310 CD1 LEU A 84 2.556 12.618 9.862 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.559 12.936 8.415 1.00 0.00 C ATOM 0 H LEU A 84 5.017 11.239 6.118 1.00 0.00 H new ATOM 0 HA LEU A 84 3.855 10.492 8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.910 12.649 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.844 11.313 6.705 1.00 0.00 H new ATOM 0 HG LEU A 84 1.352 11.013 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.933 12.786 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.379 11.953 10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.955 13.570 9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.020 13.137 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.964 13.871 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.086 12.482 7.663 1.00 0.00 H new ATOM 1323 N GLN A 85 3.842 9.187 5.733 1.00 0.00 N ATOM 1324 CA GLN A 85 3.657 7.964 4.957 1.00 0.00 C ATOM 1325 C GLN A 85 4.145 6.765 5.763 1.00 0.00 C ATOM 1326 O GLN A 85 3.625 5.658 5.501 1.00 0.00 O ATOM 1327 CB GLN A 85 4.405 8.040 3.612 1.00 0.00 C ATOM 1328 CG GLN A 85 3.576 7.627 2.387 1.00 0.00 C ATOM 1329 CD GLN A 85 3.833 6.209 1.896 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.062 6.001 0.709 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.788 5.212 2.758 1.00 0.00 N ATOM 0 H GLN A 85 4.391 9.891 5.241 1.00 0.00 H new ATOM 0 HA GLN A 85 2.594 7.849 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.758 9.061 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.287 7.403 3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.518 7.727 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.783 8.322 1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.597 5.397 3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.945 4.256 2.440 1.00 0.00 H new