USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 64 HIS : no HD1:sc= -2.13 K(o=-3.9,f=-5.4!) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.77 K(o=-3.9,f=-5.4!) USER MOD Set 2.1: A 43 MET CE :methyl -161:sc= -0.985 (180deg=-1.04) USER MOD Set 2.2: A 44 ASN : amide:sc= -1.59! C(o=-2.6!,f=-11!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.191 (180deg=-0.693) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.179 (180deg=-0.271) USER MOD Single : A 7 LYS NZ :NH3+ 133:sc= 0.294 (180deg=-0.119) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0.3 (180deg=0.277) USER MOD Single : A 13 TYR OH : rot 138:sc= -0.59 USER MOD Single : A 15 MET CE :methyl 148:sc= 0 (180deg=-1.07) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.126 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.013 (180deg=-0.176) USER MOD Single : A 49 MET CE :methyl 155:sc= -3.63 (180deg=-4.05!) USER MOD Single : A 51 TYR OH : rot -125:sc= 0.0681 USER MOD Single : A 56 MET CE :methyl 162:sc= -3.3! (180deg=-3.82!) USER MOD Single : A 59 SER OG : rot 34:sc= 0.188 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.026) USER MOD Single : A 77 SER OG : rot -10:sc= -0.137 USER MOD Single : A 79 THR OG1 : rot 77:sc= 0.723 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.17 (180deg=1.07) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.596 15.866 0.048 1.00 14.14 N ATOM 2 CA MET A 1 1.630 16.945 0.299 1.00 5.41 C ATOM 3 C MET A 1 0.296 16.673 -0.411 1.00 4.22 C ATOM 4 O MET A 1 -0.654 17.442 -0.257 1.00 21.24 O ATOM 5 CB MET A 1 2.236 18.304 -0.118 1.00 63.44 C ATOM 6 CG MET A 1 2.515 18.473 -1.624 1.00 64.45 C ATOM 7 SD MET A 1 3.305 20.056 -2.013 1.00 4.05 S ATOM 8 CE MET A 1 2.162 21.226 -1.280 1.00 4.14 C ATOM 0 H1 MET A 1 3.470 16.051 0.581 1.00 14.14 H new ATOM 0 H2 MET A 1 2.190 14.959 0.354 1.00 14.14 H new ATOM 0 H3 MET A 1 2.813 15.824 -0.968 1.00 14.14 H new ATOM 0 HA MET A 1 1.416 16.983 1.367 1.00 5.41 H new ATOM 0 HB2 MET A 1 1.558 19.097 0.199 1.00 63.44 H new ATOM 0 HB3 MET A 1 3.170 18.447 0.425 1.00 63.44 H new ATOM 0 HG2 MET A 1 3.154 17.659 -1.965 1.00 64.45 H new ATOM 0 HG3 MET A 1 1.578 18.394 -2.174 1.00 64.45 H new ATOM 0 HE1 MET A 1 2.334 22.216 -1.702 1.00 4.14 H new ATOM 0 HE2 MET A 1 1.139 20.915 -1.490 1.00 4.14 H new ATOM 0 HE3 MET A 1 2.317 21.260 -0.202 1.00 4.14 H new ATOM 20 N ASP A 2 0.218 15.563 -1.167 1.00 11.22 N ATOM 21 CA ASP A 2 -0.970 15.207 -1.962 1.00 74.12 C ATOM 22 C ASP A 2 -1.210 13.682 -1.899 1.00 53.45 C ATOM 23 O ASP A 2 -0.287 12.910 -1.597 1.00 53.23 O ATOM 24 CB ASP A 2 -0.762 15.694 -3.434 1.00 23.52 C ATOM 25 CG ASP A 2 -1.919 15.322 -4.380 1.00 13.54 C ATOM 26 OD1 ASP A 2 -3.019 15.903 -4.234 1.00 13.23 O ATOM 27 OD2 ASP A 2 -1.755 14.428 -5.241 1.00 4.23 O ATOM 0 H ASP A 2 0.978 14.887 -1.244 1.00 11.22 H new ATOM 0 HA ASP A 2 -1.855 15.697 -1.555 1.00 74.12 H new ATOM 0 HB2 ASP A 2 -0.638 16.777 -3.435 1.00 23.52 H new ATOM 0 HB3 ASP A 2 0.163 15.267 -3.821 1.00 23.52 H new ATOM 32 N GLY A 3 -2.457 13.274 -2.174 1.00 72.22 N ATOM 33 CA GLY A 3 -2.853 11.872 -2.197 1.00 65.40 C ATOM 34 C GLY A 3 -2.337 11.130 -3.429 1.00 1.31 C ATOM 35 O GLY A 3 -1.605 10.158 -3.287 1.00 30.12 O ATOM 0 H GLY A 3 -3.219 13.917 -2.387 1.00 72.22 H new ATOM 0 HA2 GLY A 3 -2.480 11.379 -1.299 1.00 65.40 H new ATOM 0 HA3 GLY A 3 -3.941 11.806 -2.168 1.00 65.40 H new ATOM 39 N GLU A 4 -2.726 11.589 -4.651 1.00 3.02 N ATOM 40 CA GLU A 4 -2.361 10.900 -5.940 1.00 14.20 C ATOM 41 C GLU A 4 -0.835 10.822 -6.134 1.00 32.22 C ATOM 42 O GLU A 4 -0.324 9.899 -6.783 1.00 24.22 O ATOM 43 CB GLU A 4 -3.024 11.594 -7.164 1.00 71.42 C ATOM 44 CG GLU A 4 -4.545 11.394 -7.269 1.00 33.51 C ATOM 45 CD GLU A 4 -5.147 11.960 -8.571 1.00 61.44 C ATOM 46 OE1 GLU A 4 -4.894 11.383 -9.649 1.00 64.55 O ATOM 47 OE2 GLU A 4 -5.895 12.966 -8.523 1.00 2.31 O ATOM 0 H GLU A 4 -3.290 12.429 -4.779 1.00 3.02 H new ATOM 0 HA GLU A 4 -2.745 9.882 -5.872 1.00 14.20 H new ATOM 0 HB2 GLU A 4 -2.814 12.663 -7.117 1.00 71.42 H new ATOM 0 HB3 GLU A 4 -2.558 11.218 -8.075 1.00 71.42 H new ATOM 0 HG2 GLU A 4 -4.769 10.329 -7.206 1.00 33.51 H new ATOM 0 HG3 GLU A 4 -5.027 11.872 -6.416 1.00 33.51 H new ATOM 54 N GLU A 5 -0.156 11.820 -5.552 1.00 64.32 N ATOM 55 CA GLU A 5 1.302 11.892 -5.399 1.00 54.21 C ATOM 56 C GLU A 5 1.862 10.560 -4.874 1.00 53.44 C ATOM 57 O GLU A 5 2.708 9.939 -5.518 1.00 42.22 O ATOM 58 CB GLU A 5 1.596 13.037 -4.393 1.00 44.23 C ATOM 59 CG GLU A 5 3.068 13.230 -3.982 1.00 3.24 C ATOM 60 CD GLU A 5 3.198 14.120 -2.724 1.00 4.24 C ATOM 61 OE1 GLU A 5 2.988 13.617 -1.599 1.00 31.11 O ATOM 62 OE2 GLU A 5 3.453 15.331 -2.847 1.00 25.23 O ATOM 0 H GLU A 5 -0.629 12.634 -5.158 1.00 64.32 H new ATOM 0 HA GLU A 5 1.779 12.085 -6.360 1.00 54.21 H new ATOM 0 HB2 GLU A 5 1.237 13.971 -4.825 1.00 44.23 H new ATOM 0 HB3 GLU A 5 1.011 12.857 -3.491 1.00 44.23 H new ATOM 0 HG2 GLU A 5 3.522 12.258 -3.789 1.00 3.24 H new ATOM 0 HG3 GLU A 5 3.620 13.682 -4.806 1.00 3.24 H new ATOM 69 N VAL A 6 1.319 10.101 -3.734 1.00 13.44 N ATOM 70 CA VAL A 6 1.859 8.940 -3.001 1.00 52.55 C ATOM 71 C VAL A 6 1.269 7.632 -3.545 1.00 63.13 C ATOM 72 O VAL A 6 1.999 6.652 -3.723 1.00 70.22 O ATOM 73 CB VAL A 6 1.636 9.072 -1.438 1.00 71.21 C ATOM 74 CG1 VAL A 6 2.220 10.405 -0.924 1.00 54.22 C ATOM 75 CG2 VAL A 6 0.152 8.926 -1.001 1.00 34.42 C ATOM 0 H VAL A 6 0.499 10.520 -3.296 1.00 13.44 H new ATOM 0 HA VAL A 6 2.936 8.918 -3.164 1.00 52.55 H new ATOM 0 HB VAL A 6 2.167 8.235 -0.984 1.00 71.21 H new ATOM 0 HG11 VAL A 6 2.059 10.482 0.151 1.00 54.22 H new ATOM 0 HG12 VAL A 6 3.289 10.439 -1.135 1.00 54.22 H new ATOM 0 HG13 VAL A 6 1.725 11.237 -1.425 1.00 54.22 H new ATOM 0 HG21 VAL A 6 0.080 9.028 0.082 1.00 34.42 H new ATOM 0 HG22 VAL A 6 -0.446 9.702 -1.479 1.00 34.42 H new ATOM 0 HG23 VAL A 6 -0.220 7.946 -1.299 1.00 34.42 H new ATOM 85 N LYS A 7 -0.033 7.690 -3.884 1.00 42.31 N ATOM 86 CA LYS A 7 -0.876 6.531 -4.265 1.00 11.23 C ATOM 87 C LYS A 7 -0.239 5.664 -5.364 1.00 4.11 C ATOM 88 O LYS A 7 -0.075 4.443 -5.187 1.00 72.22 O ATOM 89 CB LYS A 7 -2.291 7.051 -4.698 1.00 63.42 C ATOM 90 CG LYS A 7 -3.296 7.245 -3.531 1.00 43.43 C ATOM 91 CD LYS A 7 -4.379 8.321 -3.814 1.00 51.31 C ATOM 92 CE LYS A 7 -5.080 8.181 -5.164 1.00 51.32 C ATOM 93 NZ LYS A 7 -5.910 6.956 -5.249 1.00 5.42 N ATOM 0 H LYS A 7 -0.547 8.571 -3.902 1.00 42.31 H new ATOM 0 HA LYS A 7 -0.971 5.880 -3.396 1.00 11.23 H new ATOM 0 HB2 LYS A 7 -2.170 8.002 -5.217 1.00 63.42 H new ATOM 0 HB3 LYS A 7 -2.718 6.349 -5.414 1.00 63.42 H new ATOM 0 HG2 LYS A 7 -3.787 6.294 -3.323 1.00 43.43 H new ATOM 0 HG3 LYS A 7 -2.746 7.523 -2.632 1.00 43.43 H new ATOM 0 HD2 LYS A 7 -5.129 8.279 -3.024 1.00 51.31 H new ATOM 0 HD3 LYS A 7 -3.916 9.306 -3.761 1.00 51.31 H new ATOM 0 HE2 LYS A 7 -5.709 9.055 -5.335 1.00 51.32 H new ATOM 0 HE3 LYS A 7 -4.333 8.165 -5.958 1.00 51.32 H new ATOM 0 HZ1 LYS A 7 -6.844 7.196 -5.638 1.00 5.42 H new ATOM 0 HZ2 LYS A 7 -5.444 6.263 -5.869 1.00 5.42 H new ATOM 0 HZ3 LYS A 7 -6.025 6.548 -4.299 1.00 5.42 H new ATOM 107 N GLU A 8 0.119 6.316 -6.470 1.00 70.54 N ATOM 108 CA GLU A 8 0.748 5.664 -7.629 1.00 12.33 C ATOM 109 C GLU A 8 2.036 4.905 -7.227 1.00 12.22 C ATOM 110 O GLU A 8 2.176 3.732 -7.544 1.00 41.50 O ATOM 111 CB GLU A 8 1.044 6.716 -8.732 1.00 71.04 C ATOM 112 CG GLU A 8 1.856 7.935 -8.239 1.00 13.40 C ATOM 113 CD GLU A 8 2.257 8.903 -9.361 1.00 43.11 C ATOM 114 OE1 GLU A 8 1.371 9.616 -9.887 1.00 73.12 O ATOM 115 OE2 GLU A 8 3.460 8.961 -9.721 1.00 40.23 O ATOM 0 H GLU A 8 -0.018 7.319 -6.592 1.00 70.54 H new ATOM 0 HA GLU A 8 0.051 4.925 -8.024 1.00 12.33 H new ATOM 0 HB2 GLU A 8 1.590 6.233 -9.543 1.00 71.04 H new ATOM 0 HB3 GLU A 8 0.099 7.066 -9.148 1.00 71.04 H new ATOM 0 HG2 GLU A 8 1.269 8.476 -7.497 1.00 13.40 H new ATOM 0 HG3 GLU A 8 2.757 7.582 -7.737 1.00 13.40 H new ATOM 122 N LYS A 9 2.918 5.574 -6.463 1.00 1.22 N ATOM 123 CA LYS A 9 4.269 5.062 -6.131 1.00 23.13 C ATOM 124 C LYS A 9 4.220 3.794 -5.261 1.00 2.43 C ATOM 125 O LYS A 9 5.113 2.946 -5.348 1.00 34.44 O ATOM 126 CB LYS A 9 5.089 6.154 -5.408 1.00 4.13 C ATOM 127 CG LYS A 9 5.328 7.434 -6.233 1.00 34.30 C ATOM 128 CD LYS A 9 6.107 8.496 -5.429 1.00 23.34 C ATOM 129 CE LYS A 9 5.379 8.918 -4.139 1.00 70.03 C ATOM 130 NZ LYS A 9 6.184 9.842 -3.307 1.00 5.44 N ATOM 0 H LYS A 9 2.718 6.487 -6.055 1.00 1.22 H new ATOM 0 HA LYS A 9 4.749 4.797 -7.073 1.00 23.13 H new ATOM 0 HB2 LYS A 9 4.575 6.424 -4.485 1.00 4.13 H new ATOM 0 HB3 LYS A 9 6.055 5.736 -5.124 1.00 4.13 H new ATOM 0 HG2 LYS A 9 5.882 7.185 -7.138 1.00 34.30 H new ATOM 0 HG3 LYS A 9 4.370 7.847 -6.549 1.00 34.30 H new ATOM 0 HD2 LYS A 9 7.091 8.103 -5.174 1.00 23.34 H new ATOM 0 HD3 LYS A 9 6.267 9.374 -6.055 1.00 23.34 H new ATOM 0 HE2 LYS A 9 4.435 9.398 -4.399 1.00 70.03 H new ATOM 0 HE3 LYS A 9 5.135 8.030 -3.557 1.00 70.03 H new ATOM 0 HZ1 LYS A 9 5.592 10.227 -2.544 1.00 5.44 H new ATOM 0 HZ2 LYS A 9 6.988 9.327 -2.895 1.00 5.44 H new ATOM 0 HZ3 LYS A 9 6.538 10.622 -3.897 1.00 5.44 H new ATOM 144 N ILE A 10 3.168 3.679 -4.429 1.00 73.01 N ATOM 145 CA ILE A 10 2.962 2.505 -3.550 1.00 63.54 C ATOM 146 C ILE A 10 2.718 1.246 -4.421 1.00 22.23 C ATOM 147 O ILE A 10 3.174 0.143 -4.106 1.00 31.21 O ATOM 148 CB ILE A 10 1.746 2.718 -2.559 1.00 4.33 C ATOM 149 CG1 ILE A 10 1.780 4.118 -1.877 1.00 41.13 C ATOM 150 CG2 ILE A 10 1.703 1.620 -1.473 1.00 65.34 C ATOM 151 CD1 ILE A 10 3.000 4.396 -1.005 1.00 72.31 C ATOM 0 H ILE A 10 2.441 4.389 -4.345 1.00 73.01 H new ATOM 0 HA ILE A 10 3.860 2.374 -2.946 1.00 63.54 H new ATOM 0 HB ILE A 10 0.844 2.655 -3.168 1.00 4.33 H new ATOM 0 HG12 ILE A 10 1.729 4.882 -2.653 1.00 41.13 H new ATOM 0 HG13 ILE A 10 0.885 4.226 -1.264 1.00 41.13 H new ATOM 0 HG21 ILE A 10 0.856 1.797 -0.810 1.00 65.34 H new ATOM 0 HG22 ILE A 10 1.596 0.644 -1.946 1.00 65.34 H new ATOM 0 HG23 ILE A 10 2.627 1.643 -0.895 1.00 65.34 H new ATOM 0 HD11 ILE A 10 2.923 5.396 -0.579 1.00 72.31 H new ATOM 0 HD12 ILE A 10 3.047 3.662 -0.201 1.00 72.31 H new ATOM 0 HD13 ILE A 10 3.903 4.328 -1.611 1.00 72.31 H new ATOM 163 N ARG A 11 1.973 1.454 -5.520 1.00 41.25 N ATOM 164 CA ARG A 11 1.618 0.413 -6.504 1.00 34.33 C ATOM 165 C ARG A 11 2.723 0.172 -7.524 1.00 71.04 C ATOM 166 O ARG A 11 2.849 -0.943 -8.039 1.00 50.33 O ATOM 167 CB ARG A 11 0.298 0.796 -7.212 1.00 55.35 C ATOM 168 CG ARG A 11 -0.967 0.326 -6.483 1.00 11.53 C ATOM 169 CD ARG A 11 -1.094 0.787 -5.027 1.00 43.53 C ATOM 170 NE ARG A 11 -0.346 -0.027 -4.050 1.00 13.20 N ATOM 171 CZ ARG A 11 -0.807 -0.356 -2.840 1.00 10.33 C ATOM 172 NH1 ARG A 11 -2.009 0.038 -2.442 1.00 54.15 N ATOM 173 NH2 ARG A 11 -0.048 -1.077 -2.024 1.00 54.25 N ATOM 0 H ARG A 11 1.592 2.370 -5.756 1.00 41.25 H new ATOM 0 HA ARG A 11 1.486 -0.523 -5.961 1.00 34.33 H new ATOM 0 HB2 ARG A 11 0.259 1.880 -7.321 1.00 55.35 H new ATOM 0 HB3 ARG A 11 0.302 0.374 -8.217 1.00 55.35 H new ATOM 0 HG2 ARG A 11 -1.837 0.679 -7.036 1.00 11.53 H new ATOM 0 HG3 ARG A 11 -0.996 -0.763 -6.506 1.00 11.53 H new ATOM 0 HD2 ARG A 11 -0.751 1.819 -4.957 1.00 43.53 H new ATOM 0 HD3 ARG A 11 -2.148 0.782 -4.750 1.00 43.53 H new ATOM 0 HE ARG A 11 0.581 -0.359 -4.315 1.00 13.20 H new ATOM 0 HH11 ARG A 11 -2.593 0.599 -3.062 1.00 54.15 H new ATOM 0 HH12 ARG A 11 -2.349 -0.220 -1.516 1.00 54.15 H new ATOM 0 HH21 ARG A 11 0.880 -1.376 -2.322 1.00 54.25 H new ATOM 0 HH22 ARG A 11 -0.393 -1.332 -1.099 1.00 54.25 H new ATOM 187 N ARG A 12 3.475 1.230 -7.846 1.00 71.20 N ATOM 188 CA ARG A 12 4.666 1.125 -8.721 1.00 31.03 C ATOM 189 C ARG A 12 5.666 0.183 -8.058 1.00 75.51 C ATOM 190 O ARG A 12 6.143 -0.738 -8.694 1.00 11.13 O ATOM 191 CB ARG A 12 5.292 2.532 -9.022 1.00 1.44 C ATOM 192 CG ARG A 12 4.774 3.221 -10.322 1.00 3.52 C ATOM 193 CD ARG A 12 3.239 3.203 -10.441 1.00 53.04 C ATOM 194 NE ARG A 12 2.716 4.013 -11.559 1.00 35.43 N ATOM 195 CZ ARG A 12 1.512 3.842 -12.131 1.00 32.14 C ATOM 196 NH1 ARG A 12 0.687 2.884 -11.722 1.00 44.52 N ATOM 197 NH2 ARG A 12 1.124 4.656 -13.106 1.00 4.53 N ATOM 0 H ARG A 12 3.285 2.176 -7.516 1.00 71.20 H new ATOM 0 HA ARG A 12 4.375 0.718 -9.689 1.00 31.03 H new ATOM 0 HB2 ARG A 12 5.092 3.190 -8.176 1.00 1.44 H new ATOM 0 HB3 ARG A 12 6.374 2.423 -9.093 1.00 1.44 H new ATOM 0 HG2 ARG A 12 5.123 4.254 -10.343 1.00 3.52 H new ATOM 0 HG3 ARG A 12 5.206 2.721 -11.189 1.00 3.52 H new ATOM 0 HD2 ARG A 12 2.906 2.173 -10.565 1.00 53.04 H new ATOM 0 HD3 ARG A 12 2.808 3.567 -9.509 1.00 53.04 H new ATOM 0 HE ARG A 12 3.312 4.756 -11.924 1.00 35.43 H new ATOM 0 HH11 ARG A 12 0.964 2.263 -10.962 1.00 44.52 H new ATOM 0 HH12 ARG A 12 -0.223 2.770 -12.168 1.00 44.52 H new ATOM 0 HH21 ARG A 12 1.739 5.407 -13.418 1.00 4.53 H new ATOM 0 HH22 ARG A 12 0.211 4.530 -13.543 1.00 4.53 H new ATOM 211 N TYR A 13 5.872 0.387 -6.748 1.00 15.24 N ATOM 212 CA TYR A 13 6.707 -0.487 -5.893 1.00 63.00 C ATOM 213 C TYR A 13 6.280 -1.967 -5.997 1.00 64.44 C ATOM 214 O TYR A 13 7.140 -2.862 -6.084 1.00 70.13 O ATOM 215 CB TYR A 13 6.638 0.007 -4.427 1.00 23.12 C ATOM 216 CG TYR A 13 7.414 -0.866 -3.421 1.00 25.15 C ATOM 217 CD1 TYR A 13 8.789 -1.095 -3.577 1.00 4.43 C ATOM 218 CD2 TYR A 13 6.778 -1.450 -2.325 1.00 3.35 C ATOM 219 CE1 TYR A 13 9.489 -1.869 -2.679 1.00 54.45 C ATOM 220 CE2 TYR A 13 7.476 -2.222 -1.429 1.00 55.51 C ATOM 221 CZ TYR A 13 8.828 -2.430 -1.607 1.00 42.12 C ATOM 222 OH TYR A 13 9.522 -3.208 -0.709 1.00 0.51 O ATOM 0 H TYR A 13 5.461 1.171 -6.242 1.00 15.24 H new ATOM 0 HA TYR A 13 7.737 -0.430 -6.244 1.00 63.00 H new ATOM 0 HB2 TYR A 13 7.026 1.024 -4.381 1.00 23.12 H new ATOM 0 HB3 TYR A 13 5.593 0.051 -4.120 1.00 23.12 H new ATOM 0 HD1 TYR A 13 9.308 -0.656 -4.417 1.00 4.43 H new ATOM 0 HD2 TYR A 13 5.720 -1.292 -2.179 1.00 3.35 H new ATOM 0 HE1 TYR A 13 10.548 -2.035 -2.813 1.00 54.45 H new ATOM 0 HE2 TYR A 13 6.967 -2.666 -0.586 1.00 55.51 H new ATOM 0 HH TYR A 13 9.235 -2.991 0.202 1.00 0.51 H new ATOM 232 N ILE A 14 4.950 -2.207 -5.980 1.00 3.42 N ATOM 233 CA ILE A 14 4.383 -3.549 -6.162 1.00 61.24 C ATOM 234 C ILE A 14 4.814 -4.117 -7.527 1.00 43.23 C ATOM 235 O ILE A 14 5.410 -5.183 -7.587 1.00 54.11 O ATOM 236 CB ILE A 14 2.815 -3.557 -6.003 1.00 13.32 C ATOM 237 CG1 ILE A 14 2.408 -3.112 -4.562 1.00 62.34 C ATOM 238 CG2 ILE A 14 2.213 -4.945 -6.340 1.00 70.20 C ATOM 239 CD1 ILE A 14 0.918 -3.148 -4.294 1.00 32.54 C ATOM 0 H ILE A 14 4.250 -1.478 -5.841 1.00 3.42 H new ATOM 0 HA ILE A 14 4.775 -4.192 -5.374 1.00 61.24 H new ATOM 0 HB ILE A 14 2.406 -2.842 -6.717 1.00 13.32 H new ATOM 0 HG12 ILE A 14 2.910 -3.756 -3.840 1.00 62.34 H new ATOM 0 HG13 ILE A 14 2.771 -2.099 -4.392 1.00 62.34 H new ATOM 0 HG21 ILE A 14 1.130 -4.911 -6.219 1.00 70.20 H new ATOM 0 HG22 ILE A 14 2.455 -5.206 -7.370 1.00 70.20 H new ATOM 0 HG23 ILE A 14 2.630 -5.695 -5.668 1.00 70.20 H new ATOM 0 HD11 ILE A 14 0.724 -2.824 -3.271 1.00 32.54 H new ATOM 0 HD12 ILE A 14 0.407 -2.481 -4.989 1.00 32.54 H new ATOM 0 HD13 ILE A 14 0.549 -4.165 -4.429 1.00 32.54 H new ATOM 251 N MET A 15 4.573 -3.348 -8.595 1.00 75.12 N ATOM 252 CA MET A 15 4.921 -3.745 -9.980 1.00 14.42 C ATOM 253 C MET A 15 6.451 -4.000 -10.134 1.00 71.31 C ATOM 254 O MET A 15 6.853 -4.979 -10.754 1.00 4.15 O ATOM 255 CB MET A 15 4.460 -2.634 -10.980 1.00 34.44 C ATOM 256 CG MET A 15 2.948 -2.294 -10.993 1.00 4.24 C ATOM 257 SD MET A 15 1.991 -3.173 -12.259 1.00 72.25 S ATOM 258 CE MET A 15 1.887 -4.854 -11.648 1.00 62.22 C ATOM 0 H MET A 15 4.131 -2.431 -8.532 1.00 75.12 H new ATOM 0 HA MET A 15 4.403 -4.678 -10.205 1.00 14.42 H new ATOM 0 HB2 MET A 15 5.012 -1.722 -10.754 1.00 34.44 H new ATOM 0 HB3 MET A 15 4.749 -2.940 -11.986 1.00 34.44 H new ATOM 0 HG2 MET A 15 2.528 -2.524 -10.014 1.00 4.24 H new ATOM 0 HG3 MET A 15 2.831 -1.221 -11.146 1.00 4.24 H new ATOM 0 HE1 MET A 15 0.944 -5.299 -11.965 1.00 62.22 H new ATOM 0 HE2 MET A 15 2.716 -5.438 -12.048 1.00 62.22 H new ATOM 0 HE3 MET A 15 1.938 -4.849 -10.559 1.00 62.22 H new ATOM 268 N GLU A 16 7.276 -3.146 -9.505 1.00 50.24 N ATOM 269 CA GLU A 16 8.739 -3.107 -9.738 1.00 1.02 C ATOM 270 C GLU A 16 9.488 -4.222 -8.997 1.00 51.43 C ATOM 271 O GLU A 16 10.441 -4.786 -9.533 1.00 73.43 O ATOM 272 CB GLU A 16 9.319 -1.728 -9.325 1.00 70.21 C ATOM 273 CG GLU A 16 8.802 -0.520 -10.136 1.00 42.44 C ATOM 274 CD GLU A 16 9.055 -0.612 -11.652 1.00 51.15 C ATOM 275 OE1 GLU A 16 8.224 -1.205 -12.380 1.00 41.35 O ATOM 276 OE2 GLU A 16 10.084 -0.069 -12.130 1.00 52.52 O ATOM 0 H GLU A 16 6.953 -2.462 -8.821 1.00 50.24 H new ATOM 0 HA GLU A 16 8.887 -3.267 -10.806 1.00 1.02 H new ATOM 0 HB2 GLU A 16 9.094 -1.559 -8.272 1.00 70.21 H new ATOM 0 HB3 GLU A 16 10.404 -1.768 -9.417 1.00 70.21 H new ATOM 0 HG2 GLU A 16 7.731 -0.416 -9.965 1.00 42.44 H new ATOM 0 HG3 GLU A 16 9.275 0.386 -9.756 1.00 42.44 H new ATOM 283 N ASP A 17 9.082 -4.511 -7.755 1.00 74.33 N ATOM 284 CA ASP A 17 9.820 -5.442 -6.865 1.00 54.33 C ATOM 285 C ASP A 17 8.982 -6.665 -6.525 1.00 40.23 C ATOM 286 O ASP A 17 9.465 -7.797 -6.613 1.00 33.43 O ATOM 287 CB ASP A 17 10.263 -4.710 -5.569 1.00 64.53 C ATOM 288 CG ASP A 17 11.403 -3.711 -5.824 1.00 74.04 C ATOM 289 OD1 ASP A 17 11.131 -2.538 -6.152 1.00 60.43 O ATOM 290 OD2 ASP A 17 12.586 -4.120 -5.736 1.00 33.33 O ATOM 0 H ASP A 17 8.242 -4.115 -7.333 1.00 74.33 H new ATOM 0 HA ASP A 17 10.707 -5.784 -7.398 1.00 54.33 H new ATOM 0 HB2 ASP A 17 9.410 -4.183 -5.142 1.00 64.53 H new ATOM 0 HB3 ASP A 17 10.585 -5.445 -4.831 1.00 64.53 H new ATOM 295 N LEU A 18 7.720 -6.425 -6.119 1.00 71.34 N ATOM 296 CA LEU A 18 6.801 -7.511 -5.700 1.00 63.02 C ATOM 297 C LEU A 18 6.395 -8.392 -6.918 1.00 5.43 C ATOM 298 O LEU A 18 6.134 -9.583 -6.756 1.00 73.12 O ATOM 299 CB LEU A 18 5.552 -6.945 -4.949 1.00 2.42 C ATOM 300 CG LEU A 18 5.786 -6.325 -3.508 1.00 71.41 C ATOM 301 CD1 LEU A 18 6.375 -7.361 -2.514 1.00 3.30 C ATOM 302 CD2 LEU A 18 6.655 -5.034 -3.530 1.00 45.55 C ATOM 0 H LEU A 18 7.311 -5.492 -6.071 1.00 71.34 H new ATOM 0 HA LEU A 18 7.332 -8.149 -4.994 1.00 63.02 H new ATOM 0 HB2 LEU A 18 5.101 -6.177 -5.577 1.00 2.42 H new ATOM 0 HB3 LEU A 18 4.822 -7.749 -4.855 1.00 2.42 H new ATOM 0 HG LEU A 18 4.796 -6.038 -3.154 1.00 71.41 H new ATOM 0 HD11 LEU A 18 6.518 -6.891 -1.541 1.00 3.30 H new ATOM 0 HD12 LEU A 18 5.687 -8.201 -2.414 1.00 3.30 H new ATOM 0 HD13 LEU A 18 7.334 -7.720 -2.888 1.00 3.30 H new ATOM 0 HD21 LEU A 18 6.777 -4.660 -2.513 1.00 45.55 H new ATOM 0 HD22 LEU A 18 7.633 -5.261 -3.953 1.00 45.55 H new ATOM 0 HD23 LEU A 18 6.164 -4.275 -4.139 1.00 45.55 H new ATOM 314 N ILE A 19 6.319 -7.782 -8.131 1.00 74.32 N ATOM 315 CA ILE A 19 6.229 -8.518 -9.421 1.00 42.03 C ATOM 316 C ILE A 19 7.656 -8.682 -9.993 1.00 4.41 C ATOM 317 O ILE A 19 8.160 -9.809 -10.095 1.00 24.33 O ATOM 318 CB ILE A 19 5.278 -7.814 -10.495 1.00 32.24 C ATOM 319 CG1 ILE A 19 3.758 -7.883 -10.115 1.00 50.15 C ATOM 320 CG2 ILE A 19 5.462 -8.444 -11.907 1.00 23.22 C ATOM 321 CD1 ILE A 19 3.336 -7.254 -8.812 1.00 71.55 C ATOM 0 H ILE A 19 6.318 -6.768 -8.242 1.00 74.32 H new ATOM 0 HA ILE A 19 5.775 -9.488 -9.216 1.00 42.03 H new ATOM 0 HB ILE A 19 5.579 -6.767 -10.504 1.00 32.24 H new ATOM 0 HG12 ILE A 19 3.190 -7.410 -10.916 1.00 50.15 H new ATOM 0 HG13 ILE A 19 3.465 -8.933 -10.092 1.00 50.15 H new ATOM 0 HG21 ILE A 19 4.802 -7.945 -12.617 1.00 23.22 H new ATOM 0 HG22 ILE A 19 6.497 -8.324 -12.227 1.00 23.22 H new ATOM 0 HG23 ILE A 19 5.216 -9.505 -11.867 1.00 23.22 H new ATOM 0 HD11 ILE A 19 2.261 -7.377 -8.680 1.00 71.55 H new ATOM 0 HD12 ILE A 19 3.860 -7.738 -7.988 1.00 71.55 H new ATOM 0 HD13 ILE A 19 3.581 -6.192 -8.824 1.00 71.55 H new ATOM 333 N GLY A 20 8.303 -7.552 -10.347 1.00 12.40 N ATOM 334 CA GLY A 20 9.662 -7.551 -10.926 1.00 53.12 C ATOM 335 C GLY A 20 9.751 -6.750 -12.233 1.00 40.10 C ATOM 336 O GLY A 20 8.891 -5.897 -12.490 1.00 71.14 O ATOM 0 H GLY A 20 7.901 -6.621 -10.240 1.00 12.40 H new ATOM 0 HA2 GLY A 20 10.361 -7.133 -10.201 1.00 53.12 H new ATOM 0 HA3 GLY A 20 9.973 -8.579 -11.113 1.00 53.12 H new ATOM 340 N PRO A 21 10.798 -7.012 -13.092 1.00 50.42 N ATOM 341 CA PRO A 21 11.000 -6.289 -14.383 1.00 4.21 C ATOM 342 C PRO A 21 9.918 -6.618 -15.445 1.00 61.21 C ATOM 343 O PRO A 21 9.763 -5.900 -16.432 1.00 64.31 O ATOM 344 CB PRO A 21 12.410 -6.765 -14.831 1.00 70.52 C ATOM 345 CG PRO A 21 12.570 -8.114 -14.206 1.00 64.05 C ATOM 346 CD PRO A 21 11.884 -8.011 -12.860 1.00 12.45 C ATOM 0 HA PRO A 21 10.920 -5.208 -14.266 1.00 4.21 H new ATOM 0 HB2 PRO A 21 12.483 -6.820 -15.917 1.00 70.52 H new ATOM 0 HB3 PRO A 21 13.186 -6.078 -14.494 1.00 70.52 H new ATOM 0 HG2 PRO A 21 12.115 -8.890 -14.822 1.00 64.05 H new ATOM 0 HG3 PRO A 21 13.623 -8.373 -14.093 1.00 64.05 H new ATOM 0 HD2 PRO A 21 11.482 -8.973 -12.541 1.00 12.45 H new ATOM 0 HD3 PRO A 21 12.573 -7.680 -12.083 1.00 12.45 H new ATOM 354 N SER A 22 9.180 -7.717 -15.227 1.00 4.51 N ATOM 355 CA SER A 22 8.040 -8.121 -16.073 1.00 74.10 C ATOM 356 C SER A 22 6.723 -7.622 -15.431 1.00 63.13 C ATOM 357 O SER A 22 5.742 -8.371 -15.292 1.00 72.34 O ATOM 358 CB SER A 22 8.075 -9.657 -16.238 1.00 62.44 C ATOM 359 OG SER A 22 8.221 -10.299 -14.982 1.00 13.24 O ATOM 0 H SER A 22 9.357 -8.357 -14.453 1.00 4.51 H new ATOM 0 HA SER A 22 8.103 -7.673 -17.065 1.00 74.10 H new ATOM 0 HB2 SER A 22 7.158 -9.996 -16.719 1.00 62.44 H new ATOM 0 HB3 SER A 22 8.901 -9.938 -16.892 1.00 62.44 H new ATOM 0 HG SER A 22 8.239 -11.270 -15.111 1.00 13.24 H new ATOM 365 N ALA A 23 6.732 -6.330 -15.054 1.00 23.34 N ATOM 366 CA ALA A 23 5.646 -5.666 -14.321 1.00 4.23 C ATOM 367 C ALA A 23 4.395 -5.463 -15.199 1.00 53.22 C ATOM 368 O ALA A 23 4.369 -4.592 -16.077 1.00 43.33 O ATOM 369 CB ALA A 23 6.161 -4.340 -13.775 1.00 5.41 C ATOM 0 H ALA A 23 7.514 -5.707 -15.257 1.00 23.34 H new ATOM 0 HA ALA A 23 5.337 -6.306 -13.495 1.00 4.23 H new ATOM 0 HB1 ALA A 23 5.363 -3.837 -13.228 1.00 5.41 H new ATOM 0 HB2 ALA A 23 7.000 -4.524 -13.104 1.00 5.41 H new ATOM 0 HB3 ALA A 23 6.488 -3.709 -14.601 1.00 5.41 H new ATOM 375 N LYS A 24 3.369 -6.286 -14.950 1.00 41.11 N ATOM 376 CA LYS A 24 2.133 -6.306 -15.740 1.00 52.01 C ATOM 377 C LYS A 24 1.156 -5.226 -15.234 1.00 42.53 C ATOM 378 O LYS A 24 0.265 -5.500 -14.426 1.00 71.33 O ATOM 379 CB LYS A 24 1.510 -7.718 -15.678 1.00 20.41 C ATOM 380 CG LYS A 24 2.459 -8.836 -16.163 1.00 21.15 C ATOM 381 CD LYS A 24 1.829 -10.232 -16.044 1.00 1.14 C ATOM 382 CE LYS A 24 1.493 -10.611 -14.594 1.00 25.14 C ATOM 383 NZ LYS A 24 0.787 -11.909 -14.513 1.00 60.34 N ATOM 0 H LYS A 24 3.374 -6.963 -14.187 1.00 41.11 H new ATOM 0 HA LYS A 24 2.356 -6.076 -16.782 1.00 52.01 H new ATOM 0 HB2 LYS A 24 1.209 -7.928 -14.652 1.00 20.41 H new ATOM 0 HB3 LYS A 24 0.605 -7.733 -16.285 1.00 20.41 H new ATOM 0 HG2 LYS A 24 2.733 -8.651 -17.202 1.00 21.15 H new ATOM 0 HG3 LYS A 24 3.380 -8.805 -15.581 1.00 21.15 H new ATOM 0 HD2 LYS A 24 0.920 -10.268 -16.644 1.00 1.14 H new ATOM 0 HD3 LYS A 24 2.514 -10.971 -16.459 1.00 1.14 H new ATOM 0 HE2 LYS A 24 2.412 -10.660 -14.009 1.00 25.14 H new ATOM 0 HE3 LYS A 24 0.873 -9.832 -14.149 1.00 25.14 H new ATOM 0 HZ1 LYS A 24 0.578 -12.129 -13.518 1.00 60.34 H new ATOM 0 HZ2 LYS A 24 -0.102 -11.855 -15.050 1.00 60.34 H new ATOM 0 HZ3 LYS A 24 1.388 -12.657 -14.914 1.00 60.34 H new ATOM 397 N GLU A 25 1.380 -3.994 -15.710 1.00 61.33 N ATOM 398 CA GLU A 25 0.599 -2.781 -15.338 1.00 52.23 C ATOM 399 C GLU A 25 -0.877 -2.848 -15.784 1.00 71.35 C ATOM 400 O GLU A 25 -1.705 -2.077 -15.287 1.00 54.01 O ATOM 401 CB GLU A 25 1.293 -1.477 -15.897 1.00 63.22 C ATOM 402 CG GLU A 25 2.074 -1.620 -17.238 1.00 14.12 C ATOM 403 CD GLU A 25 1.247 -2.162 -18.426 1.00 62.21 C ATOM 404 OE1 GLU A 25 0.553 -1.369 -19.100 1.00 32.23 O ATOM 405 OE2 GLU A 25 1.278 -3.388 -18.679 1.00 30.22 O ATOM 0 H GLU A 25 2.123 -3.796 -16.380 1.00 61.33 H new ATOM 0 HA GLU A 25 0.590 -2.742 -14.249 1.00 52.23 H new ATOM 0 HB2 GLU A 25 0.526 -0.714 -16.029 1.00 63.22 H new ATOM 0 HB3 GLU A 25 1.983 -1.107 -15.139 1.00 63.22 H new ATOM 0 HG2 GLU A 25 2.477 -0.645 -17.511 1.00 14.12 H new ATOM 0 HG3 GLU A 25 2.925 -2.282 -17.076 1.00 14.12 H new ATOM 412 N ASP A 26 -1.187 -3.768 -16.719 1.00 71.40 N ATOM 413 CA ASP A 26 -2.532 -3.898 -17.305 1.00 72.03 C ATOM 414 C ASP A 26 -3.581 -4.353 -16.265 1.00 44.04 C ATOM 415 O ASP A 26 -4.724 -3.880 -16.275 1.00 64.00 O ATOM 416 CB ASP A 26 -2.519 -4.880 -18.511 1.00 0.52 C ATOM 417 CG ASP A 26 -2.241 -6.347 -18.119 1.00 42.02 C ATOM 418 OD1 ASP A 26 -1.119 -6.643 -17.656 1.00 34.11 O ATOM 419 OD2 ASP A 26 -3.143 -7.204 -18.253 1.00 23.42 O ATOM 0 H ASP A 26 -0.513 -4.439 -17.087 1.00 71.40 H new ATOM 0 HA ASP A 26 -2.820 -2.906 -17.655 1.00 72.03 H new ATOM 0 HB2 ASP A 26 -3.481 -4.826 -19.021 1.00 0.52 H new ATOM 0 HB3 ASP A 26 -1.761 -4.555 -19.224 1.00 0.52 H new ATOM 424 N GLU A 27 -3.167 -5.259 -15.364 1.00 65.52 N ATOM 425 CA GLU A 27 -4.082 -5.897 -14.409 1.00 51.10 C ATOM 426 C GLU A 27 -4.231 -5.065 -13.132 1.00 4.23 C ATOM 427 O GLU A 27 -5.285 -5.084 -12.492 1.00 12.24 O ATOM 428 CB GLU A 27 -3.610 -7.325 -14.056 1.00 23.53 C ATOM 429 CG GLU A 27 -2.193 -7.420 -13.458 1.00 51.24 C ATOM 430 CD GLU A 27 -1.919 -8.791 -12.820 1.00 72.31 C ATOM 431 OE1 GLU A 27 -1.482 -9.720 -13.529 1.00 14.32 O ATOM 432 OE2 GLU A 27 -2.180 -8.955 -11.608 1.00 41.34 O ATOM 0 H GLU A 27 -2.198 -5.566 -15.279 1.00 65.52 H new ATOM 0 HA GLU A 27 -5.057 -5.960 -14.892 1.00 51.10 H new ATOM 0 HB2 GLU A 27 -4.316 -7.759 -13.347 1.00 23.53 H new ATOM 0 HB3 GLU A 27 -3.648 -7.936 -14.958 1.00 23.53 H new ATOM 0 HG2 GLU A 27 -1.458 -7.233 -14.240 1.00 51.24 H new ATOM 0 HG3 GLU A 27 -2.065 -6.640 -12.707 1.00 51.24 H new ATOM 439 N LEU A 28 -3.173 -4.342 -12.759 1.00 23.50 N ATOM 440 CA LEU A 28 -3.168 -3.543 -11.542 1.00 3.34 C ATOM 441 C LEU A 28 -3.823 -2.178 -11.832 1.00 33.45 C ATOM 442 O LEU A 28 -3.608 -1.593 -12.896 1.00 22.31 O ATOM 443 CB LEU A 28 -1.708 -3.412 -11.020 1.00 21.31 C ATOM 444 CG LEU A 28 -1.503 -2.749 -9.605 1.00 21.42 C ATOM 445 CD1 LEU A 28 -0.205 -3.247 -8.927 1.00 52.24 C ATOM 446 CD2 LEU A 28 -1.492 -1.207 -9.696 1.00 54.31 C ATOM 0 H LEU A 28 -2.304 -4.297 -13.291 1.00 23.50 H new ATOM 0 HA LEU A 28 -3.750 -4.024 -10.756 1.00 3.34 H new ATOM 0 HB2 LEU A 28 -1.269 -4.409 -10.992 1.00 21.31 H new ATOM 0 HB3 LEU A 28 -1.140 -2.834 -11.749 1.00 21.31 H new ATOM 0 HG LEU A 28 -2.351 -3.052 -8.991 1.00 21.42 H new ATOM 0 HD11 LEU A 28 -0.096 -2.769 -7.954 1.00 52.24 H new ATOM 0 HD12 LEU A 28 -0.254 -4.328 -8.797 1.00 52.24 H new ATOM 0 HD13 LEU A 28 0.652 -2.996 -9.552 1.00 52.24 H new ATOM 0 HD21 LEU A 28 -1.349 -0.785 -8.701 1.00 54.31 H new ATOM 0 HD22 LEU A 28 -0.678 -0.887 -10.347 1.00 54.31 H new ATOM 0 HD23 LEU A 28 -2.441 -0.860 -10.104 1.00 54.31 H new ATOM 458 N ASP A 29 -4.602 -1.677 -10.863 1.00 3.13 N ATOM 459 CA ASP A 29 -5.318 -0.389 -10.956 1.00 34.12 C ATOM 460 C ASP A 29 -5.257 0.331 -9.595 1.00 23.31 C ATOM 461 O ASP A 29 -4.860 -0.258 -8.575 1.00 63.11 O ATOM 462 CB ASP A 29 -6.806 -0.622 -11.361 1.00 64.13 C ATOM 463 CG ASP A 29 -7.515 0.645 -11.869 1.00 62.23 C ATOM 464 OD1 ASP A 29 -7.313 1.014 -13.044 1.00 42.04 O ATOM 465 OD2 ASP A 29 -8.263 1.288 -11.102 1.00 54.15 O ATOM 0 H ASP A 29 -4.757 -2.160 -9.978 1.00 3.13 H new ATOM 0 HA ASP A 29 -4.841 0.227 -11.718 1.00 34.12 H new ATOM 0 HB2 ASP A 29 -6.846 -1.386 -12.137 1.00 64.13 H new ATOM 0 HB3 ASP A 29 -7.350 -1.012 -10.501 1.00 64.13 H new ATOM 470 N ASP A 30 -5.677 1.598 -9.606 1.00 10.31 N ATOM 471 CA ASP A 30 -5.822 2.445 -8.412 1.00 15.41 C ATOM 472 C ASP A 30 -6.965 1.934 -7.497 1.00 15.13 C ATOM 473 O ASP A 30 -6.996 2.203 -6.297 1.00 75.04 O ATOM 474 CB ASP A 30 -6.097 3.901 -8.893 1.00 40.23 C ATOM 475 CG ASP A 30 -6.091 4.956 -7.784 1.00 21.44 C ATOM 476 OD1 ASP A 30 -7.116 5.112 -7.086 1.00 44.33 O ATOM 477 OD2 ASP A 30 -5.058 5.643 -7.611 1.00 32.53 O ATOM 0 H ASP A 30 -5.934 2.080 -10.468 1.00 10.31 H new ATOM 0 HA ASP A 30 -4.909 2.412 -7.818 1.00 15.41 H new ATOM 0 HB2 ASP A 30 -5.346 4.171 -9.636 1.00 40.23 H new ATOM 0 HB3 ASP A 30 -7.065 3.926 -9.394 1.00 40.23 H new ATOM 482 N GLN A 31 -7.925 1.228 -8.105 1.00 43.11 N ATOM 483 CA GLN A 31 -9.096 0.659 -7.408 1.00 31.42 C ATOM 484 C GLN A 31 -9.102 -0.886 -7.463 1.00 44.54 C ATOM 485 O GLN A 31 -10.168 -1.509 -7.368 1.00 32.31 O ATOM 486 CB GLN A 31 -10.391 1.290 -7.984 1.00 62.23 C ATOM 487 CG GLN A 31 -10.501 2.811 -7.724 1.00 55.33 C ATOM 488 CD GLN A 31 -11.766 3.438 -8.309 1.00 60.20 C ATOM 489 OE1 GLN A 31 -12.813 3.484 -7.659 1.00 11.51 O ATOM 490 NE2 GLN A 31 -11.678 3.920 -9.540 1.00 40.43 N ATOM 0 H GLN A 31 -7.915 1.031 -9.106 1.00 43.11 H new ATOM 0 HA GLN A 31 -9.041 0.909 -6.348 1.00 31.42 H new ATOM 0 HB2 GLN A 31 -10.428 1.109 -9.058 1.00 62.23 H new ATOM 0 HB3 GLN A 31 -11.255 0.791 -7.547 1.00 62.23 H new ATOM 0 HG2 GLN A 31 -10.479 2.991 -6.649 1.00 55.33 H new ATOM 0 HG3 GLN A 31 -9.629 3.308 -8.148 1.00 55.33 H new ATOM 0 HE21 GLN A 31 -10.795 3.864 -10.048 1.00 40.43 H new ATOM 0 HE22 GLN A 31 -12.493 4.347 -9.980 1.00 40.43 H new ATOM 499 N THR A 32 -7.906 -1.492 -7.580 1.00 34.30 N ATOM 500 CA THR A 32 -7.745 -2.966 -7.545 1.00 14.52 C ATOM 501 C THR A 32 -7.581 -3.451 -6.085 1.00 61.24 C ATOM 502 O THR A 32 -6.663 -2.991 -5.381 1.00 40.31 O ATOM 503 CB THR A 32 -6.522 -3.461 -8.390 1.00 42.35 C ATOM 504 OG1 THR A 32 -6.800 -3.285 -9.779 1.00 73.45 O ATOM 505 CG2 THR A 32 -6.166 -4.945 -8.132 1.00 33.41 C ATOM 0 H THR A 32 -7.030 -0.984 -7.700 1.00 34.30 H new ATOM 0 HA THR A 32 -8.647 -3.389 -7.987 1.00 14.52 H new ATOM 0 HB THR A 32 -5.664 -2.863 -8.083 1.00 42.35 H new ATOM 0 HG1 THR A 32 -6.110 -3.735 -10.310 1.00 73.45 H new ATOM 0 HG21 THR A 32 -5.311 -5.226 -8.747 1.00 33.41 H new ATOM 0 HG22 THR A 32 -5.917 -5.082 -7.080 1.00 33.41 H new ATOM 0 HG23 THR A 32 -7.019 -5.574 -8.387 1.00 33.41 H new ATOM 513 N PRO A 33 -8.474 -4.383 -5.607 1.00 61.22 N ATOM 514 CA PRO A 33 -8.325 -5.023 -4.293 1.00 3.10 C ATOM 515 C PRO A 33 -7.160 -6.048 -4.288 1.00 62.10 C ATOM 516 O PRO A 33 -7.252 -7.141 -4.846 1.00 41.43 O ATOM 517 CB PRO A 33 -9.708 -5.679 -4.053 1.00 11.13 C ATOM 518 CG PRO A 33 -10.266 -5.917 -5.419 1.00 34.21 C ATOM 519 CD PRO A 33 -9.696 -4.835 -6.311 1.00 2.12 C ATOM 0 HA PRO A 33 -8.063 -4.324 -3.499 1.00 3.10 H new ATOM 0 HB2 PRO A 33 -9.611 -6.612 -3.498 1.00 11.13 H new ATOM 0 HB3 PRO A 33 -10.358 -5.027 -3.469 1.00 11.13 H new ATOM 0 HG2 PRO A 33 -9.990 -6.906 -5.784 1.00 34.21 H new ATOM 0 HG3 PRO A 33 -11.355 -5.875 -5.406 1.00 34.21 H new ATOM 0 HD2 PRO A 33 -9.463 -5.220 -7.304 1.00 2.12 H new ATOM 0 HD3 PRO A 33 -10.403 -4.017 -6.445 1.00 2.12 H new ATOM 527 N LEU A 34 -6.071 -5.649 -3.626 1.00 44.45 N ATOM 528 CA LEU A 34 -4.794 -6.369 -3.585 1.00 35.42 C ATOM 529 C LEU A 34 -4.914 -7.764 -2.928 1.00 22.30 C ATOM 530 O LEU A 34 -4.510 -8.763 -3.534 1.00 75.41 O ATOM 531 CB LEU A 34 -3.764 -5.506 -2.826 1.00 12.30 C ATOM 532 CG LEU A 34 -3.633 -4.023 -3.300 1.00 63.42 C ATOM 533 CD1 LEU A 34 -2.726 -3.227 -2.353 1.00 44.43 C ATOM 534 CD2 LEU A 34 -3.138 -3.928 -4.770 1.00 24.53 C ATOM 0 H LEU A 34 -6.053 -4.785 -3.084 1.00 44.45 H new ATOM 0 HA LEU A 34 -4.470 -6.540 -4.611 1.00 35.42 H new ATOM 0 HB2 LEU A 34 -4.028 -5.507 -1.768 1.00 12.30 H new ATOM 0 HB3 LEU A 34 -2.787 -5.982 -2.912 1.00 12.30 H new ATOM 0 HG LEU A 34 -4.628 -3.578 -3.270 1.00 63.42 H new ATOM 0 HD11 LEU A 34 -2.649 -2.197 -2.703 1.00 44.43 H new ATOM 0 HD12 LEU A 34 -3.149 -3.239 -1.349 1.00 44.43 H new ATOM 0 HD13 LEU A 34 -1.734 -3.679 -2.334 1.00 44.43 H new ATOM 0 HD21 LEU A 34 -3.060 -2.880 -5.061 1.00 24.53 H new ATOM 0 HD22 LEU A 34 -2.160 -4.402 -4.856 1.00 24.53 H new ATOM 0 HD23 LEU A 34 -3.846 -4.435 -5.426 1.00 24.53 H new ATOM 546 N LEU A 35 -5.458 -7.822 -1.683 1.00 75.42 N ATOM 547 CA LEU A 35 -5.651 -9.111 -0.941 1.00 62.14 C ATOM 548 C LEU A 35 -6.534 -10.079 -1.761 1.00 54.11 C ATOM 549 O LEU A 35 -6.234 -11.276 -1.862 1.00 72.13 O ATOM 550 CB LEU A 35 -6.301 -8.895 0.469 1.00 24.03 C ATOM 551 CG LEU A 35 -5.394 -8.369 1.634 1.00 12.51 C ATOM 552 CD1 LEU A 35 -4.252 -9.353 1.996 1.00 50.00 C ATOM 553 CD2 LEU A 35 -4.844 -6.966 1.346 1.00 52.04 C ATOM 0 H LEU A 35 -5.771 -6.999 -1.169 1.00 75.42 H new ATOM 0 HA LEU A 35 -4.660 -9.540 -0.796 1.00 62.14 H new ATOM 0 HB2 LEU A 35 -7.128 -8.195 0.350 1.00 24.03 H new ATOM 0 HB3 LEU A 35 -6.731 -9.845 0.786 1.00 24.03 H new ATOM 0 HG LEU A 35 -6.041 -8.299 2.508 1.00 12.51 H new ATOM 0 HD11 LEU A 35 -3.657 -8.936 2.808 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.678 -10.306 2.310 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.617 -9.510 1.124 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -4.221 -6.641 2.179 1.00 52.04 H new ATOM 0 HD22 LEU A 35 -4.247 -6.989 0.434 1.00 52.04 H new ATOM 0 HD23 LEU A 35 -5.673 -6.269 1.219 1.00 52.04 H new ATOM 565 N GLU A 36 -7.618 -9.520 -2.340 1.00 12.44 N ATOM 566 CA GLU A 36 -8.596 -10.273 -3.155 1.00 25.23 C ATOM 567 C GLU A 36 -7.942 -10.848 -4.420 1.00 4.35 C ATOM 568 O GLU A 36 -8.238 -11.975 -4.816 1.00 44.21 O ATOM 569 CB GLU A 36 -9.800 -9.370 -3.543 1.00 1.15 C ATOM 570 CG GLU A 36 -10.929 -10.107 -4.288 1.00 14.24 C ATOM 571 CD GLU A 36 -11.982 -9.161 -4.892 1.00 13.34 C ATOM 572 OE1 GLU A 36 -12.791 -8.589 -4.122 1.00 51.21 O ATOM 573 OE2 GLU A 36 -11.994 -8.961 -6.131 1.00 70.11 O ATOM 0 H GLU A 36 -7.841 -8.528 -2.255 1.00 12.44 H new ATOM 0 HA GLU A 36 -8.958 -11.103 -2.549 1.00 25.23 H new ATOM 0 HB2 GLU A 36 -10.210 -8.922 -2.638 1.00 1.15 H new ATOM 0 HB3 GLU A 36 -9.440 -8.553 -4.169 1.00 1.15 H new ATOM 0 HG2 GLU A 36 -10.495 -10.711 -5.085 1.00 14.24 H new ATOM 0 HG3 GLU A 36 -11.421 -10.794 -3.599 1.00 14.24 H new ATOM 580 N TRP A 37 -7.019 -10.079 -5.021 1.00 33.10 N ATOM 581 CA TRP A 37 -6.326 -10.489 -6.269 1.00 74.30 C ATOM 582 C TRP A 37 -5.063 -11.310 -5.946 1.00 45.03 C ATOM 583 O TRP A 37 -4.255 -11.585 -6.835 1.00 21.44 O ATOM 584 CB TRP A 37 -5.989 -9.237 -7.128 1.00 60.51 C ATOM 585 CG TRP A 37 -7.176 -8.641 -7.862 1.00 45.52 C ATOM 586 CD1 TRP A 37 -8.430 -8.402 -7.371 1.00 33.05 C ATOM 587 CD2 TRP A 37 -7.203 -8.205 -9.231 1.00 34.42 C ATOM 588 NE1 TRP A 37 -9.220 -7.841 -8.337 1.00 55.52 N ATOM 589 CE2 TRP A 37 -8.494 -7.714 -9.490 1.00 62.11 C ATOM 590 CE3 TRP A 37 -6.258 -8.190 -10.258 1.00 0.15 C ATOM 591 CZ2 TRP A 37 -8.860 -7.202 -10.732 1.00 21.21 C ATOM 592 CZ3 TRP A 37 -6.623 -7.683 -11.489 1.00 2.31 C ATOM 593 CH2 TRP A 37 -7.916 -7.199 -11.718 1.00 22.05 C ATOM 0 H TRP A 37 -6.730 -9.167 -4.667 1.00 33.10 H new ATOM 0 HA TRP A 37 -6.991 -11.129 -6.850 1.00 74.30 H new ATOM 0 HB2 TRP A 37 -5.557 -8.473 -6.481 1.00 60.51 H new ATOM 0 HB3 TRP A 37 -5.225 -9.507 -7.857 1.00 60.51 H new ATOM 0 HD1 TRP A 37 -8.751 -8.624 -6.364 1.00 33.05 H new ATOM 0 HE1 TRP A 37 -10.194 -7.562 -8.217 1.00 55.52 H new ATOM 0 HE3 TRP A 37 -5.260 -8.568 -10.093 1.00 0.15 H new ATOM 0 HZ2 TRP A 37 -9.855 -6.821 -10.909 1.00 21.21 H new ATOM 0 HZ3 TRP A 37 -5.898 -7.659 -12.289 1.00 2.31 H new ATOM 0 HH2 TRP A 37 -8.172 -6.815 -12.695 1.00 22.05 H new ATOM 604 N GLY A 38 -4.911 -11.693 -4.662 1.00 61.32 N ATOM 605 CA GLY A 38 -3.807 -12.546 -4.217 1.00 10.43 C ATOM 606 C GLY A 38 -2.435 -11.874 -4.284 1.00 43.33 C ATOM 607 O GLY A 38 -1.409 -12.547 -4.131 1.00 43.51 O ATOM 0 H GLY A 38 -5.549 -11.418 -3.915 1.00 61.32 H new ATOM 0 HA2 GLY A 38 -3.996 -12.861 -3.191 1.00 10.43 H new ATOM 0 HA3 GLY A 38 -3.789 -13.448 -4.829 1.00 10.43 H new ATOM 611 N ILE A 39 -2.436 -10.539 -4.483 1.00 44.51 N ATOM 612 CA ILE A 39 -1.224 -9.719 -4.617 1.00 3.33 C ATOM 613 C ILE A 39 -0.489 -9.687 -3.275 1.00 43.54 C ATOM 614 O ILE A 39 0.735 -9.749 -3.239 1.00 24.52 O ATOM 615 CB ILE A 39 -1.587 -8.254 -5.104 1.00 52.14 C ATOM 616 CG1 ILE A 39 -2.267 -8.296 -6.522 1.00 1.25 C ATOM 617 CG2 ILE A 39 -0.354 -7.309 -5.098 1.00 31.34 C ATOM 618 CD1 ILE A 39 -2.739 -6.948 -7.063 1.00 24.15 C ATOM 0 H ILE A 39 -3.296 -9.996 -4.556 1.00 44.51 H new ATOM 0 HA ILE A 39 -0.571 -10.160 -5.370 1.00 3.33 H new ATOM 0 HB ILE A 39 -2.300 -7.841 -4.391 1.00 52.14 H new ATOM 0 HG12 ILE A 39 -1.561 -8.726 -7.232 1.00 1.25 H new ATOM 0 HG13 ILE A 39 -3.123 -8.970 -6.476 1.00 1.25 H new ATOM 0 HG21 ILE A 39 -0.653 -6.318 -5.439 1.00 31.34 H new ATOM 0 HG22 ILE A 39 0.046 -7.239 -4.086 1.00 31.34 H new ATOM 0 HG23 ILE A 39 0.412 -7.706 -5.764 1.00 31.34 H new ATOM 0 HD11 ILE A 39 -3.192 -7.088 -8.044 1.00 24.15 H new ATOM 0 HD12 ILE A 39 -3.474 -6.520 -6.382 1.00 24.15 H new ATOM 0 HD13 ILE A 39 -1.888 -6.273 -7.150 1.00 24.15 H new ATOM 630 N LEU A 40 -1.278 -9.623 -2.181 1.00 43.32 N ATOM 631 CA LEU A 40 -0.775 -9.611 -0.793 1.00 20.14 C ATOM 632 C LEU A 40 -1.232 -10.875 -0.057 1.00 20.41 C ATOM 633 O LEU A 40 -2.354 -11.350 -0.267 1.00 5.10 O ATOM 634 CB LEU A 40 -1.299 -8.349 -0.062 1.00 2.31 C ATOM 635 CG LEU A 40 -1.019 -6.990 -0.769 1.00 71.54 C ATOM 636 CD1 LEU A 40 -1.598 -5.814 0.040 1.00 12.43 C ATOM 637 CD2 LEU A 40 0.482 -6.800 -1.064 1.00 1.20 C ATOM 0 H LEU A 40 -2.295 -9.578 -2.239 1.00 43.32 H new ATOM 0 HA LEU A 40 0.315 -9.590 -0.806 1.00 20.14 H new ATOM 0 HB2 LEU A 40 -2.376 -8.451 0.073 1.00 2.31 H new ATOM 0 HB3 LEU A 40 -0.854 -8.318 0.933 1.00 2.31 H new ATOM 0 HG LEU A 40 -1.530 -7.007 -1.732 1.00 71.54 H new ATOM 0 HD11 LEU A 40 -1.388 -4.878 -0.477 1.00 12.43 H new ATOM 0 HD12 LEU A 40 -2.676 -5.938 0.142 1.00 12.43 H new ATOM 0 HD13 LEU A 40 -1.141 -5.793 1.029 1.00 12.43 H new ATOM 0 HD21 LEU A 40 0.637 -5.841 -1.557 1.00 1.20 H new ATOM 0 HD22 LEU A 40 1.042 -6.822 -0.129 1.00 1.20 H new ATOM 0 HD23 LEU A 40 0.829 -7.603 -1.714 1.00 1.20 H new ATOM 649 N ASN A 41 -0.347 -11.417 0.794 1.00 60.23 N ATOM 650 CA ASN A 41 -0.647 -12.563 1.675 1.00 52.23 C ATOM 651 C ASN A 41 -0.096 -12.297 3.075 1.00 14.11 C ATOM 652 O ASN A 41 -0.873 -12.301 4.035 1.00 43.45 O ATOM 653 CB ASN A 41 -0.089 -13.899 1.102 1.00 4.54 C ATOM 654 CG ASN A 41 -0.914 -14.454 -0.065 1.00 22.54 C ATOM 655 OD1 ASN A 41 -1.830 -15.254 0.132 1.00 70.23 O ATOM 656 ND2 ASN A 41 -0.605 -14.029 -1.283 1.00 31.44 N ATOM 0 H ASN A 41 0.607 -11.071 0.893 1.00 60.23 H new ATOM 0 HA ASN A 41 -1.730 -12.671 1.732 1.00 52.23 H new ATOM 0 HB2 ASN A 41 0.937 -13.742 0.769 1.00 4.54 H new ATOM 0 HB3 ASN A 41 -0.056 -14.642 1.899 1.00 4.54 H new ATOM 0 HD21 ASN A 41 -1.132 -14.365 -2.089 1.00 31.44 H new ATOM 0 HD22 ASN A 41 0.159 -13.366 -1.413 1.00 31.44 H new ATOM 663 N SER A 42 1.235 -12.043 3.187 1.00 33.05 N ATOM 664 CA SER A 42 1.909 -11.904 4.503 1.00 44.24 C ATOM 665 C SER A 42 3.356 -11.380 4.369 1.00 34.52 C ATOM 666 O SER A 42 3.596 -10.197 4.592 1.00 14.31 O ATOM 667 CB SER A 42 1.869 -13.251 5.269 1.00 12.20 C ATOM 668 OG SER A 42 2.779 -13.275 6.363 1.00 55.22 O ATOM 0 H SER A 42 1.857 -11.931 2.387 1.00 33.05 H new ATOM 0 HA SER A 42 1.361 -11.157 5.077 1.00 44.24 H new ATOM 0 HB2 SER A 42 0.858 -13.428 5.636 1.00 12.20 H new ATOM 0 HB3 SER A 42 2.107 -14.064 4.583 1.00 12.20 H new ATOM 673 N MET A 43 4.322 -12.262 4.018 1.00 72.22 N ATOM 674 CA MET A 43 5.778 -11.908 3.942 1.00 54.14 C ATOM 675 C MET A 43 6.066 -10.713 2.996 1.00 3.23 C ATOM 676 O MET A 43 7.068 -10.017 3.156 1.00 5.24 O ATOM 677 CB MET A 43 6.649 -13.162 3.564 1.00 61.12 C ATOM 678 CG MET A 43 6.040 -14.131 2.532 1.00 41.32 C ATOM 679 SD MET A 43 5.517 -13.331 0.998 1.00 31.01 S ATOM 680 CE MET A 43 3.737 -13.584 1.026 1.00 71.30 C ATOM 0 H MET A 43 4.126 -13.234 3.779 1.00 72.22 H new ATOM 0 HA MET A 43 6.067 -11.580 4.941 1.00 54.14 H new ATOM 0 HB2 MET A 43 7.606 -12.810 3.179 1.00 61.12 H new ATOM 0 HB3 MET A 43 6.858 -13.721 4.476 1.00 61.12 H new ATOM 0 HG2 MET A 43 6.772 -14.903 2.296 1.00 41.32 H new ATOM 0 HG3 MET A 43 5.182 -14.632 2.980 1.00 41.32 H new ATOM 0 HE1 MET A 43 3.335 -13.455 0.021 1.00 71.30 H new ATOM 0 HE2 MET A 43 3.518 -14.592 1.377 1.00 71.30 H new ATOM 0 HE3 MET A 43 3.277 -12.858 1.697 1.00 71.30 H new ATOM 690 N ASN A 44 5.154 -10.472 2.047 1.00 41.14 N ATOM 691 CA ASN A 44 5.266 -9.392 1.048 1.00 23.42 C ATOM 692 C ASN A 44 4.514 -8.113 1.498 1.00 42.23 C ATOM 693 O ASN A 44 4.828 -7.013 1.040 1.00 22.12 O ATOM 694 CB ASN A 44 4.722 -9.898 -0.309 1.00 21.51 C ATOM 695 CG ASN A 44 3.225 -10.237 -0.309 1.00 31.03 C ATOM 696 OD1 ASN A 44 2.632 -10.575 0.726 1.00 54.52 O ATOM 697 ND2 ASN A 44 2.614 -10.183 -1.471 1.00 41.31 N ATOM 0 H ASN A 44 4.304 -11.027 1.946 1.00 41.14 H new ATOM 0 HA ASN A 44 6.317 -9.122 0.944 1.00 23.42 H new ATOM 0 HB2 ASN A 44 4.909 -9.138 -1.067 1.00 21.51 H new ATOM 0 HB3 ASN A 44 5.282 -10.786 -0.602 1.00 21.51 H new ATOM 0 HD21 ASN A 44 1.625 -10.423 -1.539 1.00 41.31 H new ATOM 0 HD22 ASN A 44 3.129 -9.901 -2.305 1.00 41.31 H new ATOM 704 N ILE A 45 3.528 -8.277 2.409 1.00 62.40 N ATOM 705 CA ILE A 45 2.723 -7.150 2.958 1.00 3.53 C ATOM 706 C ILE A 45 3.605 -6.261 3.872 1.00 32.21 C ATOM 707 O ILE A 45 3.320 -5.075 4.088 1.00 1.23 O ATOM 708 CB ILE A 45 1.430 -7.689 3.733 1.00 52.05 C ATOM 709 CG1 ILE A 45 0.192 -6.764 3.486 1.00 75.43 C ATOM 710 CG2 ILE A 45 1.663 -7.873 5.265 1.00 12.52 C ATOM 711 CD1 ILE A 45 -1.114 -7.287 4.076 1.00 63.53 C ATOM 0 H ILE A 45 3.265 -9.188 2.786 1.00 62.40 H new ATOM 0 HA ILE A 45 2.368 -6.539 2.128 1.00 3.53 H new ATOM 0 HB ILE A 45 1.228 -8.677 3.319 1.00 52.05 H new ATOM 0 HG12 ILE A 45 0.399 -5.781 3.908 1.00 75.43 H new ATOM 0 HG13 ILE A 45 0.063 -6.629 2.412 1.00 75.43 H new ATOM 0 HG21 ILE A 45 0.748 -8.240 5.731 1.00 12.52 H new ATOM 0 HG22 ILE A 45 2.467 -8.591 5.427 1.00 12.52 H new ATOM 0 HG23 ILE A 45 1.937 -6.916 5.709 1.00 12.52 H new ATOM 0 HD11 ILE A 45 -1.919 -6.585 3.858 1.00 63.53 H new ATOM 0 HD12 ILE A 45 -1.349 -8.256 3.636 1.00 63.53 H new ATOM 0 HD13 ILE A 45 -1.008 -7.394 5.156 1.00 63.53 H new ATOM 723 N VAL A 46 4.695 -6.875 4.368 1.00 4.02 N ATOM 724 CA VAL A 46 5.687 -6.244 5.251 1.00 55.23 C ATOM 725 C VAL A 46 6.565 -5.232 4.473 1.00 12.12 C ATOM 726 O VAL A 46 7.118 -4.280 5.047 1.00 52.34 O ATOM 727 CB VAL A 46 6.565 -7.357 5.931 1.00 13.53 C ATOM 728 CG1 VAL A 46 7.516 -6.763 6.987 1.00 14.24 C ATOM 729 CG2 VAL A 46 5.668 -8.459 6.560 1.00 13.53 C ATOM 0 H VAL A 46 4.914 -7.849 4.159 1.00 4.02 H new ATOM 0 HA VAL A 46 5.165 -5.684 6.027 1.00 55.23 H new ATOM 0 HB VAL A 46 7.178 -7.812 5.153 1.00 13.53 H new ATOM 0 HG11 VAL A 46 8.106 -7.562 7.435 1.00 14.24 H new ATOM 0 HG12 VAL A 46 8.182 -6.042 6.513 1.00 14.24 H new ATOM 0 HG13 VAL A 46 6.934 -6.264 7.761 1.00 14.24 H new ATOM 0 HG21 VAL A 46 6.297 -9.219 7.025 1.00 13.53 H new ATOM 0 HG22 VAL A 46 5.019 -8.014 7.314 1.00 13.53 H new ATOM 0 HG23 VAL A 46 5.058 -8.919 5.783 1.00 13.53 H new ATOM 739 N LYS A 47 6.644 -5.436 3.149 1.00 71.04 N ATOM 740 CA LYS A 47 7.391 -4.554 2.228 1.00 34.51 C ATOM 741 C LYS A 47 6.705 -3.179 2.116 1.00 63.02 C ATOM 742 O LYS A 47 7.368 -2.171 1.868 1.00 64.43 O ATOM 743 CB LYS A 47 7.555 -5.216 0.825 1.00 72.10 C ATOM 744 CG LYS A 47 8.700 -6.249 0.737 1.00 63.34 C ATOM 745 CD LYS A 47 8.503 -7.448 1.682 1.00 14.44 C ATOM 746 CE LYS A 47 9.712 -8.385 1.718 1.00 14.42 C ATOM 747 NZ LYS A 47 10.914 -7.711 2.259 1.00 2.24 N ATOM 0 H LYS A 47 6.190 -6.221 2.681 1.00 71.04 H new ATOM 0 HA LYS A 47 8.389 -4.402 2.640 1.00 34.51 H new ATOM 0 HB2 LYS A 47 6.619 -5.705 0.556 1.00 72.10 H new ATOM 0 HB3 LYS A 47 7.730 -4.434 0.086 1.00 72.10 H new ATOM 0 HG2 LYS A 47 8.778 -6.611 -0.288 1.00 63.34 H new ATOM 0 HG3 LYS A 47 9.644 -5.758 0.974 1.00 63.34 H new ATOM 0 HD2 LYS A 47 8.304 -7.081 2.689 1.00 14.44 H new ATOM 0 HD3 LYS A 47 7.624 -8.010 1.368 1.00 14.44 H new ATOM 0 HE2 LYS A 47 9.478 -9.257 2.329 1.00 14.42 H new ATOM 0 HE3 LYS A 47 9.921 -8.748 0.712 1.00 14.42 H new ATOM 0 HZ1 LYS A 47 11.643 -8.421 2.474 1.00 2.24 H new ATOM 0 HZ2 LYS A 47 11.282 -7.039 1.555 1.00 2.24 H new ATOM 0 HZ3 LYS A 47 10.663 -7.198 3.128 1.00 2.24 H new ATOM 761 N LEU A 48 5.374 -3.160 2.316 1.00 72.31 N ATOM 762 CA LEU A 48 4.578 -1.919 2.314 1.00 13.14 C ATOM 763 C LEU A 48 4.806 -1.133 3.625 1.00 24.53 C ATOM 764 O LEU A 48 4.900 0.093 3.590 1.00 10.44 O ATOM 765 CB LEU A 48 3.056 -2.202 2.092 1.00 14.13 C ATOM 766 CG LEU A 48 2.630 -2.741 0.669 1.00 73.12 C ATOM 767 CD1 LEU A 48 3.129 -1.811 -0.479 1.00 3.33 C ATOM 768 CD2 LEU A 48 3.077 -4.210 0.430 1.00 71.41 C ATOM 0 H LEU A 48 4.822 -4.001 2.483 1.00 72.31 H new ATOM 0 HA LEU A 48 4.916 -1.310 1.476 1.00 13.14 H new ATOM 0 HB2 LEU A 48 2.733 -2.926 2.840 1.00 14.13 H new ATOM 0 HB3 LEU A 48 2.508 -1.280 2.284 1.00 14.13 H new ATOM 0 HG LEU A 48 1.540 -2.731 0.656 1.00 73.12 H new ATOM 0 HD11 LEU A 48 2.815 -2.218 -1.440 1.00 3.33 H new ATOM 0 HD12 LEU A 48 2.705 -0.815 -0.351 1.00 3.33 H new ATOM 0 HD13 LEU A 48 4.217 -1.749 -0.450 1.00 3.33 H new ATOM 0 HD21 LEU A 48 2.759 -4.530 -0.562 1.00 71.41 H new ATOM 0 HD22 LEU A 48 4.163 -4.276 0.502 1.00 71.41 H new ATOM 0 HD23 LEU A 48 2.623 -4.855 1.182 1.00 71.41 H new ATOM 780 N MET A 49 4.946 -1.863 4.762 1.00 13.21 N ATOM 781 CA MET A 49 5.167 -1.253 6.108 1.00 61.45 C ATOM 782 C MET A 49 6.420 -0.357 6.091 1.00 41.54 C ATOM 783 O MET A 49 6.366 0.828 6.447 1.00 4.15 O ATOM 784 CB MET A 49 5.376 -2.333 7.212 1.00 40.33 C ATOM 785 CG MET A 49 4.313 -3.425 7.326 1.00 15.32 C ATOM 786 SD MET A 49 4.816 -4.657 8.556 1.00 52.43 S ATOM 787 CE MET A 49 3.633 -5.971 8.320 1.00 11.10 C ATOM 0 H MET A 49 4.910 -2.882 4.777 1.00 13.21 H new ATOM 0 HA MET A 49 4.273 -0.672 6.335 1.00 61.45 H new ATOM 0 HB2 MET A 49 6.338 -2.814 7.037 1.00 40.33 H new ATOM 0 HB3 MET A 49 5.444 -1.825 8.174 1.00 40.33 H new ATOM 0 HG2 MET A 49 3.357 -2.985 7.610 1.00 15.32 H new ATOM 0 HG3 MET A 49 4.168 -3.904 6.358 1.00 15.32 H new ATOM 0 HE1 MET A 49 4.064 -6.914 8.657 1.00 11.10 H new ATOM 0 HE2 MET A 49 2.732 -5.757 8.895 1.00 11.10 H new ATOM 0 HE3 MET A 49 3.379 -6.046 7.263 1.00 11.10 H new ATOM 797 N VAL A 50 7.541 -0.966 5.656 1.00 30.13 N ATOM 798 CA VAL A 50 8.860 -0.306 5.609 1.00 52.22 C ATOM 799 C VAL A 50 8.886 0.811 4.543 1.00 23.44 C ATOM 800 O VAL A 50 9.499 1.859 4.765 1.00 12.01 O ATOM 801 CB VAL A 50 10.027 -1.344 5.350 1.00 73.14 C ATOM 802 CG1 VAL A 50 9.850 -2.098 4.012 1.00 25.14 C ATOM 803 CG2 VAL A 50 11.421 -0.671 5.414 1.00 23.02 C ATOM 0 H VAL A 50 7.557 -1.931 5.327 1.00 30.13 H new ATOM 0 HA VAL A 50 9.026 0.146 6.587 1.00 52.22 H new ATOM 0 HB VAL A 50 9.968 -2.077 6.154 1.00 73.14 H new ATOM 0 HG11 VAL A 50 10.674 -2.799 3.878 1.00 25.14 H new ATOM 0 HG12 VAL A 50 8.907 -2.645 4.024 1.00 25.14 H new ATOM 0 HG13 VAL A 50 9.844 -1.383 3.189 1.00 25.14 H new ATOM 0 HG21 VAL A 50 12.194 -1.417 5.231 1.00 23.02 H new ATOM 0 HG22 VAL A 50 11.483 0.110 4.656 1.00 23.02 H new ATOM 0 HG23 VAL A 50 11.568 -0.231 6.400 1.00 23.02 H new ATOM 813 N TYR A 51 8.170 0.576 3.415 1.00 63.10 N ATOM 814 CA TYR A 51 8.140 1.499 2.255 1.00 22.24 C ATOM 815 C TYR A 51 7.669 2.882 2.692 1.00 62.35 C ATOM 816 O TYR A 51 8.356 3.874 2.509 1.00 34.54 O ATOM 817 CB TYR A 51 7.193 0.977 1.134 1.00 42.05 C ATOM 818 CG TYR A 51 7.296 1.799 -0.168 1.00 71.20 C ATOM 819 CD1 TYR A 51 8.382 1.628 -1.029 1.00 74.20 C ATOM 820 CD2 TYR A 51 6.331 2.751 -0.525 1.00 12.12 C ATOM 821 CE1 TYR A 51 8.503 2.365 -2.190 1.00 71.45 C ATOM 822 CE2 TYR A 51 6.450 3.486 -1.686 1.00 50.41 C ATOM 823 CZ TYR A 51 7.533 3.293 -2.514 1.00 51.00 C ATOM 824 OH TYR A 51 7.647 4.037 -3.667 1.00 74.13 O ATOM 0 H TYR A 51 7.598 -0.258 3.285 1.00 63.10 H new ATOM 0 HA TYR A 51 9.154 1.556 1.860 1.00 22.24 H new ATOM 0 HB2 TYR A 51 7.431 -0.065 0.920 1.00 42.05 H new ATOM 0 HB3 TYR A 51 6.164 1.002 1.493 1.00 42.05 H new ATOM 0 HD1 TYR A 51 9.144 0.904 -0.781 1.00 74.20 H new ATOM 0 HD2 TYR A 51 5.480 2.912 0.120 1.00 12.12 H new ATOM 0 HE1 TYR A 51 9.352 2.217 -2.841 1.00 71.45 H new ATOM 0 HE2 TYR A 51 5.694 4.212 -1.945 1.00 50.41 H new ATOM 0 HH TYR A 51 7.601 4.991 -3.447 1.00 74.13 H new ATOM 834 N ILE A 52 6.487 2.885 3.297 1.00 44.44 N ATOM 835 CA ILE A 52 5.761 4.094 3.701 1.00 10.13 C ATOM 836 C ILE A 52 6.524 4.865 4.806 1.00 30.54 C ATOM 837 O ILE A 52 6.386 6.087 4.938 1.00 54.04 O ATOM 838 CB ILE A 52 4.315 3.674 4.156 1.00 32.01 C ATOM 839 CG1 ILE A 52 3.595 2.893 3.002 1.00 44.31 C ATOM 840 CG2 ILE A 52 3.482 4.886 4.593 1.00 52.41 C ATOM 841 CD1 ILE A 52 2.380 2.102 3.435 1.00 42.33 C ATOM 0 H ILE A 52 5.989 2.025 3.529 1.00 44.44 H new ATOM 0 HA ILE A 52 5.682 4.781 2.858 1.00 10.13 H new ATOM 0 HB ILE A 52 4.412 3.020 5.022 1.00 32.01 H new ATOM 0 HG12 ILE A 52 3.293 3.605 2.234 1.00 44.31 H new ATOM 0 HG13 ILE A 52 4.310 2.211 2.542 1.00 44.31 H new ATOM 0 HG21 ILE A 52 2.490 4.554 4.900 1.00 52.41 H new ATOM 0 HG22 ILE A 52 3.973 5.383 5.430 1.00 52.41 H new ATOM 0 HG23 ILE A 52 3.390 5.583 3.760 1.00 52.41 H new ATOM 0 HD11 ILE A 52 1.949 1.596 2.571 1.00 42.33 H new ATOM 0 HD12 ILE A 52 2.674 1.362 4.180 1.00 42.33 H new ATOM 0 HD13 ILE A 52 1.641 2.777 3.866 1.00 42.33 H new ATOM 853 N ARG A 53 7.348 4.130 5.579 1.00 21.12 N ATOM 854 CA ARG A 53 8.211 4.715 6.624 1.00 54.41 C ATOM 855 C ARG A 53 9.328 5.609 6.017 1.00 75.22 C ATOM 856 O ARG A 53 9.557 6.716 6.502 1.00 60.35 O ATOM 857 CB ARG A 53 8.835 3.602 7.483 1.00 14.32 C ATOM 858 CG ARG A 53 9.711 4.119 8.643 1.00 43.32 C ATOM 859 CD ARG A 53 10.486 3.000 9.347 1.00 35.11 C ATOM 860 NE ARG A 53 11.510 2.395 8.471 1.00 72.54 N ATOM 861 CZ ARG A 53 12.233 1.294 8.757 1.00 71.40 C ATOM 862 NH1 ARG A 53 12.063 0.635 9.895 1.00 70.44 N ATOM 863 NH2 ARG A 53 13.139 0.869 7.894 1.00 2.54 N ATOM 0 H ARG A 53 7.434 3.117 5.497 1.00 21.12 H new ATOM 0 HA ARG A 53 7.584 5.348 7.252 1.00 54.41 H new ATOM 0 HB2 ARG A 53 8.037 2.983 7.893 1.00 14.32 H new ATOM 0 HB3 ARG A 53 9.440 2.960 6.843 1.00 14.32 H new ATOM 0 HG2 ARG A 53 10.416 4.857 8.259 1.00 43.32 H new ATOM 0 HG3 ARG A 53 9.079 4.630 9.370 1.00 43.32 H new ATOM 0 HD2 ARG A 53 10.965 3.399 10.241 1.00 35.11 H new ATOM 0 HD3 ARG A 53 9.789 2.229 9.675 1.00 35.11 H new ATOM 0 HE ARG A 53 11.685 2.849 7.574 1.00 72.54 H new ATOM 0 HH11 ARG A 53 11.374 0.959 10.574 1.00 70.44 H new ATOM 0 HH12 ARG A 53 12.621 -0.196 10.091 1.00 70.44 H new ATOM 0 HH21 ARG A 53 13.287 1.373 7.020 1.00 2.54 H new ATOM 0 HH22 ARG A 53 13.691 0.037 8.102 1.00 2.54 H new ATOM 877 N ASP A 54 10.035 5.125 4.974 1.00 2.41 N ATOM 878 CA ASP A 54 11.093 5.927 4.299 1.00 12.15 C ATOM 879 C ASP A 54 10.475 6.943 3.312 1.00 74.22 C ATOM 880 O ASP A 54 11.053 8.013 3.054 1.00 20.32 O ATOM 881 CB ASP A 54 12.115 5.002 3.579 1.00 11.24 C ATOM 882 CG ASP A 54 11.513 4.068 2.509 1.00 44.22 C ATOM 883 OD1 ASP A 54 11.262 4.519 1.368 1.00 64.54 O ATOM 884 OD2 ASP A 54 11.296 2.872 2.804 1.00 72.43 O ATOM 0 H ASP A 54 9.899 4.194 4.580 1.00 2.41 H new ATOM 0 HA ASP A 54 11.628 6.489 5.065 1.00 12.15 H new ATOM 0 HB2 ASP A 54 12.876 5.625 3.109 1.00 11.24 H new ATOM 0 HB3 ASP A 54 12.620 4.392 4.328 1.00 11.24 H new ATOM 889 N GLU A 55 9.301 6.575 2.780 1.00 21.14 N ATOM 890 CA GLU A 55 8.542 7.387 1.824 1.00 72.35 C ATOM 891 C GLU A 55 7.946 8.628 2.522 1.00 52.23 C ATOM 892 O GLU A 55 8.450 9.738 2.368 1.00 73.11 O ATOM 893 CB GLU A 55 7.434 6.502 1.171 1.00 21.51 C ATOM 894 CG GLU A 55 6.546 7.174 0.103 1.00 55.03 C ATOM 895 CD GLU A 55 7.301 7.602 -1.167 1.00 75.00 C ATOM 896 OE1 GLU A 55 7.824 8.734 -1.207 1.00 44.30 O ATOM 897 OE2 GLU A 55 7.361 6.818 -2.141 1.00 12.20 O ATOM 0 H GLU A 55 8.847 5.690 3.007 1.00 21.14 H new ATOM 0 HA GLU A 55 9.204 7.750 1.038 1.00 72.35 H new ATOM 0 HB2 GLU A 55 7.915 5.636 0.717 1.00 21.51 H new ATOM 0 HB3 GLU A 55 6.787 6.128 1.964 1.00 21.51 H new ATOM 0 HG2 GLU A 55 5.749 6.485 -0.177 1.00 55.03 H new ATOM 0 HG3 GLU A 55 6.070 8.051 0.542 1.00 55.03 H new ATOM 904 N MET A 56 6.903 8.408 3.334 1.00 20.33 N ATOM 905 CA MET A 56 6.094 9.488 3.956 1.00 71.42 C ATOM 906 C MET A 56 6.401 9.668 5.455 1.00 34.21 C ATOM 907 O MET A 56 5.792 10.520 6.106 1.00 62.23 O ATOM 908 CB MET A 56 4.586 9.171 3.738 1.00 61.35 C ATOM 909 CG MET A 56 4.079 9.464 2.322 1.00 74.35 C ATOM 910 SD MET A 56 2.459 8.729 2.009 1.00 3.11 S ATOM 911 CE MET A 56 2.919 7.042 1.589 1.00 44.51 C ATOM 0 H MET A 56 6.587 7.471 3.585 1.00 20.33 H new ATOM 0 HA MET A 56 6.355 10.431 3.476 1.00 71.42 H new ATOM 0 HB2 MET A 56 4.412 8.119 3.963 1.00 61.35 H new ATOM 0 HB3 MET A 56 3.998 9.751 4.449 1.00 61.35 H new ATOM 0 HG2 MET A 56 4.021 10.542 2.175 1.00 74.35 H new ATOM 0 HG3 MET A 56 4.796 9.082 1.595 1.00 74.35 H new ATOM 0 HE1 MET A 56 2.048 6.393 1.682 1.00 44.51 H new ATOM 0 HE2 MET A 56 3.287 7.010 0.564 1.00 44.51 H new ATOM 0 HE3 MET A 56 3.701 6.699 2.266 1.00 44.51 H new ATOM 921 N GLY A 57 7.336 8.869 5.995 1.00 32.52 N ATOM 922 CA GLY A 57 7.677 8.909 7.431 1.00 52.21 C ATOM 923 C GLY A 57 6.697 8.126 8.300 1.00 14.42 C ATOM 924 O GLY A 57 6.777 8.177 9.530 1.00 51.12 O ATOM 0 H GLY A 57 7.871 8.186 5.459 1.00 32.52 H new ATOM 0 HA2 GLY A 57 8.680 8.506 7.572 1.00 52.21 H new ATOM 0 HA3 GLY A 57 7.700 9.947 7.764 1.00 52.21 H new ATOM 928 N VAL A 58 5.793 7.373 7.656 1.00 62.32 N ATOM 929 CA VAL A 58 4.665 6.711 8.330 1.00 71.24 C ATOM 930 C VAL A 58 4.924 5.199 8.426 1.00 53.10 C ATOM 931 O VAL A 58 4.985 4.514 7.411 1.00 11.00 O ATOM 932 CB VAL A 58 3.328 6.967 7.527 1.00 42.25 C ATOM 933 CG1 VAL A 58 2.109 6.290 8.186 1.00 1.52 C ATOM 934 CG2 VAL A 58 3.072 8.471 7.301 1.00 14.32 C ATOM 0 H VAL A 58 5.823 7.205 6.650 1.00 62.32 H new ATOM 0 HA VAL A 58 4.566 7.124 9.334 1.00 71.24 H new ATOM 0 HB VAL A 58 3.465 6.503 6.550 1.00 42.25 H new ATOM 0 HG11 VAL A 58 1.216 6.496 7.596 1.00 1.52 H new ATOM 0 HG12 VAL A 58 2.272 5.213 8.234 1.00 1.52 H new ATOM 0 HG13 VAL A 58 1.976 6.682 9.194 1.00 1.52 H new ATOM 0 HG21 VAL A 58 2.143 8.603 6.746 1.00 14.32 H new ATOM 0 HG22 VAL A 58 2.993 8.975 8.264 1.00 14.32 H new ATOM 0 HG23 VAL A 58 3.898 8.899 6.733 1.00 14.32 H new ATOM 944 N SER A 59 5.064 4.680 9.646 1.00 3.01 N ATOM 945 CA SER A 59 5.131 3.238 9.885 1.00 75.31 C ATOM 946 C SER A 59 3.721 2.758 10.249 1.00 13.12 C ATOM 947 O SER A 59 3.145 3.244 11.236 1.00 42.51 O ATOM 948 CB SER A 59 6.155 2.924 11.008 1.00 54.21 C ATOM 949 OG SER A 59 5.893 3.659 12.197 1.00 40.10 O ATOM 0 H SER A 59 5.134 5.244 10.493 1.00 3.01 H new ATOM 0 HA SER A 59 5.473 2.712 8.993 1.00 75.31 H new ATOM 0 HB2 SER A 59 6.132 1.857 11.230 1.00 54.21 H new ATOM 0 HB3 SER A 59 7.160 3.154 10.655 1.00 54.21 H new ATOM 0 HG SER A 59 4.926 3.781 12.299 1.00 40.10 H new ATOM 955 N ILE A 60 3.135 1.873 9.409 1.00 11.14 N ATOM 956 CA ILE A 60 1.849 1.218 9.718 1.00 42.01 C ATOM 957 C ILE A 60 2.041 0.357 10.992 1.00 13.35 C ATOM 958 O ILE A 60 2.865 -0.556 10.964 1.00 31.02 O ATOM 959 CB ILE A 60 1.333 0.278 8.549 1.00 65.13 C ATOM 960 CG1 ILE A 60 1.295 0.993 7.144 1.00 42.11 C ATOM 961 CG2 ILE A 60 -0.066 -0.305 8.911 1.00 4.00 C ATOM 962 CD1 ILE A 60 -0.055 1.596 6.754 1.00 43.05 C ATOM 0 H ILE A 60 3.535 1.598 8.512 1.00 11.14 H new ATOM 0 HA ILE A 60 1.104 2.001 9.856 1.00 42.01 H new ATOM 0 HB ILE A 60 2.054 -0.534 8.454 1.00 65.13 H new ATOM 0 HG12 ILE A 60 2.044 1.785 7.138 1.00 42.11 H new ATOM 0 HG13 ILE A 60 1.587 0.272 6.380 1.00 42.11 H new ATOM 0 HG21 ILE A 60 -0.412 -0.949 8.103 1.00 4.00 H new ATOM 0 HG22 ILE A 60 0.009 -0.885 9.831 1.00 4.00 H new ATOM 0 HG23 ILE A 60 -0.774 0.511 9.053 1.00 4.00 H new ATOM 0 HD11 ILE A 60 0.025 2.063 5.773 1.00 43.05 H new ATOM 0 HD12 ILE A 60 -0.809 0.809 6.721 1.00 43.05 H new ATOM 0 HD13 ILE A 60 -0.345 2.346 7.490 1.00 43.05 H new ATOM 974 N PRO A 61 1.318 0.648 12.128 1.00 74.13 N ATOM 975 CA PRO A 61 1.404 -0.173 13.363 1.00 64.41 C ATOM 976 C PRO A 61 0.833 -1.592 13.149 1.00 1.14 C ATOM 977 O PRO A 61 0.065 -1.825 12.210 1.00 24.14 O ATOM 978 CB PRO A 61 0.569 0.644 14.387 1.00 62.32 C ATOM 979 CG PRO A 61 -0.380 1.445 13.554 1.00 64.55 C ATOM 980 CD PRO A 61 0.386 1.792 12.300 1.00 3.34 C ATOM 0 HA PRO A 61 2.429 -0.343 13.693 1.00 64.41 H new ATOM 0 HB2 PRO A 61 0.035 -0.012 15.075 1.00 62.32 H new ATOM 0 HB3 PRO A 61 1.206 1.289 14.992 1.00 62.32 H new ATOM 0 HG2 PRO A 61 -1.278 0.873 13.321 1.00 64.55 H new ATOM 0 HG3 PRO A 61 -0.702 2.344 14.079 1.00 64.55 H new ATOM 0 HD2 PRO A 61 -0.278 1.900 11.442 1.00 3.34 H new ATOM 0 HD3 PRO A 61 0.924 2.734 12.407 1.00 3.34 H new ATOM 988 N SER A 62 1.197 -2.517 14.051 1.00 3.13 N ATOM 989 CA SER A 62 0.816 -3.945 13.957 1.00 22.41 C ATOM 990 C SER A 62 -0.695 -4.149 14.219 1.00 21.04 C ATOM 991 O SER A 62 -1.280 -5.154 13.794 1.00 1.13 O ATOM 992 CB SER A 62 1.691 -4.783 14.922 1.00 2.14 C ATOM 993 OG SER A 62 1.742 -4.208 16.217 1.00 3.23 O ATOM 0 H SER A 62 1.765 -2.300 14.870 1.00 3.13 H new ATOM 0 HA SER A 62 1.000 -4.291 12.940 1.00 22.41 H new ATOM 0 HB2 SER A 62 1.292 -5.795 14.989 1.00 2.14 H new ATOM 0 HB3 SER A 62 2.701 -4.864 14.520 1.00 2.14 H new ATOM 0 HG SER A 62 2.301 -4.763 16.800 1.00 3.23 H new ATOM 999 N THR A 63 -1.314 -3.170 14.901 1.00 75.40 N ATOM 1000 CA THR A 63 -2.774 -3.115 15.095 1.00 32.15 C ATOM 1001 C THR A 63 -3.502 -2.758 13.768 1.00 53.31 C ATOM 1002 O THR A 63 -4.700 -3.006 13.615 1.00 14.13 O ATOM 1003 CB THR A 63 -3.130 -2.099 16.239 1.00 62.11 C ATOM 1004 OG1 THR A 63 -4.525 -2.171 16.559 1.00 35.21 O ATOM 1005 CG2 THR A 63 -2.767 -0.641 15.894 1.00 31.15 C ATOM 0 H THR A 63 -0.815 -2.393 15.334 1.00 75.40 H new ATOM 0 HA THR A 63 -3.122 -4.103 15.397 1.00 32.15 H new ATOM 0 HB THR A 63 -2.527 -2.392 17.098 1.00 62.11 H new ATOM 0 HG1 THR A 63 -4.730 -1.533 17.274 1.00 35.21 H new ATOM 0 HG21 THR A 63 -3.039 0.008 16.726 1.00 31.15 H new ATOM 0 HG22 THR A 63 -1.695 -0.566 15.711 1.00 31.15 H new ATOM 0 HG23 THR A 63 -3.310 -0.333 15.001 1.00 31.15 H new ATOM 1013 N HIS A 64 -2.762 -2.165 12.810 1.00 32.11 N ATOM 1014 CA HIS A 64 -3.276 -1.815 11.463 1.00 0.13 C ATOM 1015 C HIS A 64 -2.746 -2.781 10.382 1.00 30.14 C ATOM 1016 O HIS A 64 -3.008 -2.567 9.194 1.00 65.25 O ATOM 1017 CB HIS A 64 -2.956 -0.327 11.122 1.00 65.02 C ATOM 1018 CG HIS A 64 -3.853 0.686 11.807 1.00 71.51 C ATOM 1019 ND1 HIS A 64 -4.431 0.494 13.050 1.00 3.24 N ATOM 1020 CD2 HIS A 64 -4.255 1.918 11.408 1.00 43.22 C ATOM 1021 CE1 HIS A 64 -5.146 1.559 13.373 1.00 54.12 C ATOM 1022 NE2 HIS A 64 -5.054 2.434 12.393 1.00 74.23 N ATOM 0 H HIS A 64 -1.783 -1.912 12.946 1.00 32.11 H new ATOM 0 HA HIS A 64 -4.360 -1.927 11.476 1.00 0.13 H new ATOM 0 HB2 HIS A 64 -1.921 -0.120 11.396 1.00 65.02 H new ATOM 0 HB3 HIS A 64 -3.034 -0.191 10.043 1.00 65.02 H new ATOM 0 HD2 HIS A 64 -3.992 2.405 10.480 1.00 43.22 H new ATOM 0 HE1 HIS A 64 -5.709 1.689 14.285 1.00 54.12 H new ATOM 0 HE2 HIS A 64 -5.505 3.349 12.371 1.00 74.23 H new ATOM 1031 N ILE A 65 -2.030 -3.866 10.779 1.00 53.55 N ATOM 1032 CA ILE A 65 -1.607 -4.896 9.810 1.00 65.22 C ATOM 1033 C ILE A 65 -2.652 -6.002 9.758 1.00 2.45 C ATOM 1034 O ILE A 65 -2.636 -6.946 10.567 1.00 40.41 O ATOM 1035 CB ILE A 65 -0.211 -5.539 10.110 1.00 64.23 C ATOM 1036 CG1 ILE A 65 0.864 -4.458 10.373 1.00 71.45 C ATOM 1037 CG2 ILE A 65 0.208 -6.451 8.925 1.00 74.21 C ATOM 1038 CD1 ILE A 65 1.101 -3.531 9.211 1.00 20.24 C ATOM 0 H ILE A 65 -1.742 -4.043 11.741 1.00 53.55 H new ATOM 0 HA ILE A 65 -1.511 -4.380 8.854 1.00 65.22 H new ATOM 0 HB ILE A 65 -0.295 -6.141 11.015 1.00 64.23 H new ATOM 0 HG12 ILE A 65 0.566 -3.868 11.240 1.00 71.45 H new ATOM 0 HG13 ILE A 65 1.803 -4.949 10.629 1.00 71.45 H new ATOM 0 HG21 ILE A 65 1.180 -6.898 9.136 1.00 74.21 H new ATOM 0 HG22 ILE A 65 -0.533 -7.240 8.793 1.00 74.21 H new ATOM 0 HG23 ILE A 65 0.272 -5.857 8.013 1.00 74.21 H new ATOM 0 HD11 ILE A 65 1.868 -2.804 9.476 1.00 20.24 H new ATOM 0 HD12 ILE A 65 1.431 -4.108 8.347 1.00 20.24 H new ATOM 0 HD13 ILE A 65 0.175 -3.010 8.967 1.00 20.24 H new ATOM 1050 N THR A 66 -3.599 -5.824 8.846 1.00 11.55 N ATOM 1051 CA THR A 66 -4.591 -6.827 8.493 1.00 4.54 C ATOM 1052 C THR A 66 -5.119 -6.516 7.081 1.00 60.21 C ATOM 1053 O THR A 66 -4.862 -5.425 6.547 1.00 53.32 O ATOM 1054 CB THR A 66 -5.736 -6.916 9.576 1.00 33.51 C ATOM 1055 OG1 THR A 66 -6.868 -7.663 9.090 1.00 72.34 O ATOM 1056 CG2 THR A 66 -6.199 -5.536 10.049 1.00 41.12 C ATOM 0 H THR A 66 -3.700 -4.956 8.319 1.00 11.55 H new ATOM 0 HA THR A 66 -4.134 -7.816 8.479 1.00 4.54 H new ATOM 0 HB THR A 66 -5.303 -7.440 10.428 1.00 33.51 H new ATOM 0 HG1 THR A 66 -7.558 -7.701 9.785 1.00 72.34 H new ATOM 0 HG21 THR A 66 -6.987 -5.652 10.793 1.00 41.12 H new ATOM 0 HG22 THR A 66 -5.358 -5.002 10.491 1.00 41.12 H new ATOM 0 HG23 THR A 66 -6.582 -4.970 9.200 1.00 41.12 H new ATOM 1064 N GLY A 67 -5.849 -7.479 6.493 1.00 34.33 N ATOM 1065 CA GLY A 67 -6.387 -7.355 5.138 1.00 13.22 C ATOM 1066 C GLY A 67 -7.224 -6.093 4.922 1.00 20.02 C ATOM 1067 O GLY A 67 -7.055 -5.405 3.923 1.00 1.24 O ATOM 0 H GLY A 67 -6.080 -8.362 6.948 1.00 34.33 H new ATOM 0 HA2 GLY A 67 -5.561 -7.359 4.427 1.00 13.22 H new ATOM 0 HA3 GLY A 67 -7.000 -8.229 4.919 1.00 13.22 H new ATOM 1071 N LYS A 68 -8.069 -5.760 5.919 1.00 64.01 N ATOM 1072 CA LYS A 68 -9.070 -4.671 5.823 1.00 4.31 C ATOM 1073 C LYS A 68 -8.459 -3.257 5.598 1.00 73.13 C ATOM 1074 O LYS A 68 -9.123 -2.381 5.039 1.00 24.34 O ATOM 1075 CB LYS A 68 -9.978 -4.680 7.069 1.00 44.23 C ATOM 1076 CG LYS A 68 -9.240 -4.435 8.396 1.00 3.10 C ATOM 1077 CD LYS A 68 -10.175 -4.493 9.624 1.00 74.01 C ATOM 1078 CE LYS A 68 -11.270 -3.411 9.609 1.00 44.11 C ATOM 1079 NZ LYS A 68 -12.113 -3.439 10.837 1.00 35.44 N ATOM 0 H LYS A 68 -8.078 -6.240 6.819 1.00 64.01 H new ATOM 0 HA LYS A 68 -9.658 -4.877 4.929 1.00 4.31 H new ATOM 0 HB2 LYS A 68 -10.747 -3.917 6.949 1.00 44.23 H new ATOM 0 HB3 LYS A 68 -10.489 -5.641 7.124 1.00 44.23 H new ATOM 0 HG2 LYS A 68 -8.452 -5.179 8.510 1.00 3.10 H new ATOM 0 HG3 LYS A 68 -8.755 -3.460 8.361 1.00 3.10 H new ATOM 0 HD2 LYS A 68 -10.646 -5.475 9.667 1.00 74.01 H new ATOM 0 HD3 LYS A 68 -9.580 -4.385 10.530 1.00 74.01 H new ATOM 0 HE2 LYS A 68 -10.806 -2.430 9.513 1.00 44.11 H new ATOM 0 HE3 LYS A 68 -11.904 -3.551 8.733 1.00 44.11 H new ATOM 0 HZ1 LYS A 68 -12.835 -2.693 10.780 1.00 35.44 H new ATOM 0 HZ2 LYS A 68 -12.579 -4.366 10.917 1.00 35.44 H new ATOM 0 HZ3 LYS A 68 -11.515 -3.278 11.672 1.00 35.44 H new ATOM 1093 N TYR A 69 -7.211 -3.036 6.038 1.00 2.34 N ATOM 1094 CA TYR A 69 -6.513 -1.740 5.825 1.00 32.22 C ATOM 1095 C TYR A 69 -5.770 -1.743 4.482 1.00 61.30 C ATOM 1096 O TYR A 69 -5.704 -0.721 3.786 1.00 62.50 O ATOM 1097 CB TYR A 69 -5.527 -1.449 6.980 1.00 24.15 C ATOM 1098 CG TYR A 69 -6.209 -1.120 8.326 1.00 3.34 C ATOM 1099 CD1 TYR A 69 -6.633 0.181 8.633 1.00 52.30 C ATOM 1100 CD2 TYR A 69 -6.418 -2.103 9.293 1.00 34.43 C ATOM 1101 CE1 TYR A 69 -7.233 0.476 9.839 1.00 14.04 C ATOM 1102 CE2 TYR A 69 -7.020 -1.806 10.506 1.00 54.31 C ATOM 1103 CZ TYR A 69 -7.422 -0.514 10.772 1.00 34.13 C ATOM 1104 OH TYR A 69 -8.010 -0.207 11.976 1.00 41.15 O ATOM 0 H TYR A 69 -6.659 -3.729 6.543 1.00 2.34 H new ATOM 0 HA TYR A 69 -7.265 -0.951 5.808 1.00 32.22 H new ATOM 0 HB2 TYR A 69 -4.878 -2.314 7.116 1.00 24.15 H new ATOM 0 HB3 TYR A 69 -4.888 -0.613 6.695 1.00 24.15 H new ATOM 0 HD1 TYR A 69 -6.486 0.969 7.909 1.00 52.30 H new ATOM 0 HD2 TYR A 69 -6.104 -3.117 9.093 1.00 34.43 H new ATOM 0 HE1 TYR A 69 -7.554 1.485 10.050 1.00 14.04 H new ATOM 0 HE2 TYR A 69 -7.174 -2.583 11.240 1.00 54.31 H new ATOM 0 HH TYR A 69 -8.073 -1.016 12.525 1.00 41.15 H new ATOM 1114 N PHE A 70 -5.228 -2.913 4.127 1.00 31.22 N ATOM 1115 CA PHE A 70 -4.393 -3.096 2.921 1.00 70.10 C ATOM 1116 C PHE A 70 -5.216 -3.547 1.697 1.00 74.50 C ATOM 1117 O PHE A 70 -4.620 -3.799 0.638 1.00 45.45 O ATOM 1118 CB PHE A 70 -3.247 -4.113 3.215 1.00 2.21 C ATOM 1119 CG PHE A 70 -2.137 -3.583 4.141 1.00 4.00 C ATOM 1120 CD1 PHE A 70 -2.266 -3.634 5.528 1.00 61.54 C ATOM 1121 CD2 PHE A 70 -0.964 -3.027 3.613 1.00 41.44 C ATOM 1122 CE1 PHE A 70 -1.264 -3.161 6.352 1.00 51.12 C ATOM 1123 CE2 PHE A 70 0.039 -2.554 4.441 1.00 12.33 C ATOM 1124 CZ PHE A 70 -0.113 -2.617 5.811 1.00 44.05 C ATOM 0 H PHE A 70 -5.353 -3.769 4.668 1.00 31.22 H new ATOM 0 HA PHE A 70 -3.963 -2.126 2.672 1.00 70.10 H new ATOM 0 HB2 PHE A 70 -3.680 -5.007 3.664 1.00 2.21 H new ATOM 0 HB3 PHE A 70 -2.798 -4.417 2.269 1.00 2.21 H new ATOM 0 HD1 PHE A 70 -3.162 -4.049 5.964 1.00 61.54 H new ATOM 0 HD2 PHE A 70 -0.841 -2.967 2.542 1.00 41.44 H new ATOM 0 HE1 PHE A 70 -1.380 -3.216 7.424 1.00 51.12 H new ATOM 0 HE2 PHE A 70 0.939 -2.136 4.015 1.00 12.33 H new ATOM 0 HZ PHE A 70 0.665 -2.242 6.460 1.00 44.05 H new ATOM 1134 N LYS A 71 -6.572 -3.626 1.845 1.00 31.32 N ATOM 1135 CA LYS A 71 -7.487 -4.215 0.815 1.00 35.22 C ATOM 1136 C LYS A 71 -7.204 -3.712 -0.595 1.00 51.25 C ATOM 1137 O LYS A 71 -7.201 -4.487 -1.526 1.00 1.52 O ATOM 1138 CB LYS A 71 -8.986 -3.929 1.121 1.00 41.14 C ATOM 1139 CG LYS A 71 -9.600 -4.782 2.234 1.00 33.30 C ATOM 1140 CD LYS A 71 -11.095 -4.472 2.460 1.00 54.52 C ATOM 1141 CE LYS A 71 -11.356 -2.986 2.763 1.00 41.11 C ATOM 1142 NZ LYS A 71 -12.781 -2.719 3.050 1.00 45.40 N ATOM 0 H LYS A 71 -7.059 -3.287 2.674 1.00 31.32 H new ATOM 0 HA LYS A 71 -7.290 -5.286 0.864 1.00 35.22 H new ATOM 0 HB2 LYS A 71 -9.091 -2.878 1.391 1.00 41.14 H new ATOM 0 HB3 LYS A 71 -9.562 -4.082 0.208 1.00 41.14 H new ATOM 0 HG2 LYS A 71 -9.485 -5.837 1.984 1.00 33.30 H new ATOM 0 HG3 LYS A 71 -9.053 -4.612 3.161 1.00 33.30 H new ATOM 0 HD2 LYS A 71 -11.660 -4.762 1.574 1.00 54.52 H new ATOM 0 HD3 LYS A 71 -11.466 -5.077 3.287 1.00 54.52 H new ATOM 0 HE2 LYS A 71 -10.751 -2.679 3.616 1.00 41.11 H new ATOM 0 HE3 LYS A 71 -11.038 -2.382 1.913 1.00 41.11 H new ATOM 0 HZ1 LYS A 71 -12.911 -1.706 3.248 1.00 45.40 H new ATOM 0 HZ2 LYS A 71 -13.357 -2.987 2.227 1.00 45.40 H new ATOM 0 HZ3 LYS A 71 -13.079 -3.275 3.877 1.00 45.40 H new ATOM 1156 N ASP A 72 -6.952 -2.414 -0.705 1.00 14.31 N ATOM 1157 CA ASP A 72 -6.920 -1.703 -1.993 1.00 23.33 C ATOM 1158 C ASP A 72 -5.904 -0.557 -1.890 1.00 33.52 C ATOM 1159 O ASP A 72 -5.298 -0.341 -0.829 1.00 70.42 O ATOM 1160 CB ASP A 72 -8.367 -1.159 -2.279 1.00 11.33 C ATOM 1161 CG ASP A 72 -8.697 -0.910 -3.756 1.00 14.02 C ATOM 1162 OD1 ASP A 72 -8.104 0.006 -4.358 1.00 72.41 O ATOM 1163 OD2 ASP A 72 -9.593 -1.593 -4.301 1.00 12.22 O ATOM 0 H ASP A 72 -6.762 -1.814 0.098 1.00 14.31 H new ATOM 0 HA ASP A 72 -6.619 -2.358 -2.810 1.00 23.33 H new ATOM 0 HB2 ASP A 72 -9.090 -1.870 -1.878 1.00 11.33 H new ATOM 0 HB3 ASP A 72 -8.500 -0.226 -1.732 1.00 11.33 H new ATOM 1168 N LEU A 73 -5.696 0.166 -2.994 1.00 21.03 N ATOM 1169 CA LEU A 73 -4.951 1.419 -2.967 1.00 64.41 C ATOM 1170 C LEU A 73 -5.769 2.515 -2.288 1.00 73.42 C ATOM 1171 O LEU A 73 -5.218 3.259 -1.484 1.00 71.01 O ATOM 1172 CB LEU A 73 -4.500 1.871 -4.371 1.00 3.43 C ATOM 1173 CG LEU A 73 -3.796 3.274 -4.452 1.00 11.33 C ATOM 1174 CD1 LEU A 73 -2.659 3.418 -3.397 1.00 34.15 C ATOM 1175 CD2 LEU A 73 -3.261 3.529 -5.881 1.00 65.22 C ATOM 0 H LEU A 73 -6.036 -0.100 -3.918 1.00 21.03 H new ATOM 0 HA LEU A 73 -4.046 1.237 -2.386 1.00 64.41 H new ATOM 0 HB2 LEU A 73 -3.817 1.121 -4.770 1.00 3.43 H new ATOM 0 HB3 LEU A 73 -5.373 1.887 -5.023 1.00 3.43 H new ATOM 0 HG LEU A 73 -4.545 4.031 -4.220 1.00 11.33 H new ATOM 0 HD11 LEU A 73 -2.200 4.402 -3.489 1.00 34.15 H new ATOM 0 HD12 LEU A 73 -3.075 3.303 -2.396 1.00 34.15 H new ATOM 0 HD13 LEU A 73 -1.905 2.649 -3.567 1.00 34.15 H new ATOM 0 HD21 LEU A 73 -2.777 4.505 -5.919 1.00 65.22 H new ATOM 0 HD22 LEU A 73 -2.539 2.755 -6.143 1.00 65.22 H new ATOM 0 HD23 LEU A 73 -4.089 3.507 -6.589 1.00 65.22 H new ATOM 1187 N ASN A 74 -7.075 2.611 -2.596 1.00 24.34 N ATOM 1188 CA ASN A 74 -7.930 3.632 -1.955 1.00 33.12 C ATOM 1189 C ASN A 74 -8.104 3.323 -0.456 1.00 71.42 C ATOM 1190 O ASN A 74 -8.284 4.229 0.348 1.00 52.31 O ATOM 1191 CB ASN A 74 -9.293 3.801 -2.667 1.00 14.22 C ATOM 1192 CG ASN A 74 -10.259 2.628 -2.515 1.00 33.33 C ATOM 1193 OD1 ASN A 74 -11.022 2.556 -1.546 1.00 21.42 O ATOM 1194 ND2 ASN A 74 -10.252 1.718 -3.473 1.00 53.31 N ATOM 0 H ASN A 74 -7.554 2.011 -3.267 1.00 24.34 H new ATOM 0 HA ASN A 74 -7.421 4.591 -2.052 1.00 33.12 H new ATOM 0 HB2 ASN A 74 -9.776 4.700 -2.283 1.00 14.22 H new ATOM 0 HB3 ASN A 74 -9.111 3.965 -3.729 1.00 14.22 H new ATOM 0 HD21 ASN A 74 -10.891 0.924 -3.427 1.00 53.31 H new ATOM 0 HD22 ASN A 74 -9.608 1.810 -4.259 1.00 53.31 H new ATOM 1201 N ALA A 75 -8.005 2.036 -0.104 1.00 60.44 N ATOM 1202 CA ALA A 75 -7.976 1.593 1.303 1.00 52.11 C ATOM 1203 C ALA A 75 -6.679 2.064 2.012 1.00 24.54 C ATOM 1204 O ALA A 75 -6.741 2.667 3.088 1.00 1.42 O ATOM 1205 CB ALA A 75 -8.151 0.073 1.377 1.00 21.31 C ATOM 0 H ALA A 75 -7.943 1.273 -0.778 1.00 60.44 H new ATOM 0 HA ALA A 75 -8.809 2.054 1.835 1.00 52.11 H new ATOM 0 HB1 ALA A 75 -8.128 -0.246 2.419 1.00 21.31 H new ATOM 0 HB2 ALA A 75 -9.107 -0.205 0.933 1.00 21.31 H new ATOM 0 HB3 ALA A 75 -7.342 -0.413 0.831 1.00 21.31 H new ATOM 1211 N ILE A 76 -5.513 1.804 1.382 1.00 35.43 N ATOM 1212 CA ILE A 76 -4.175 2.201 1.905 1.00 23.55 C ATOM 1213 C ILE A 76 -3.996 3.714 1.923 1.00 60.44 C ATOM 1214 O ILE A 76 -3.342 4.224 2.821 1.00 11.42 O ATOM 1215 CB ILE A 76 -3.008 1.495 1.096 1.00 1.44 C ATOM 1216 CG1 ILE A 76 -3.009 -0.026 1.436 1.00 73.34 C ATOM 1217 CG2 ILE A 76 -1.602 2.129 1.358 1.00 2.34 C ATOM 1218 CD1 ILE A 76 -1.945 -0.852 0.750 1.00 25.31 C ATOM 0 H ILE A 76 -5.467 1.310 0.491 1.00 35.43 H new ATOM 0 HA ILE A 76 -4.121 1.859 2.938 1.00 23.55 H new ATOM 0 HB ILE A 76 -3.200 1.644 0.033 1.00 1.44 H new ATOM 0 HG12 ILE A 76 -2.892 -0.139 2.514 1.00 73.34 H new ATOM 0 HG13 ILE A 76 -3.985 -0.437 1.177 1.00 73.34 H new ATOM 0 HG21 ILE A 76 -0.849 1.599 0.774 1.00 2.34 H new ATOM 0 HG22 ILE A 76 -1.616 3.179 1.065 1.00 2.34 H new ATOM 0 HG23 ILE A 76 -1.360 2.052 2.418 1.00 2.34 H new ATOM 0 HD11 ILE A 76 -2.038 -1.893 1.058 1.00 25.31 H new ATOM 0 HD12 ILE A 76 -2.070 -0.781 -0.331 1.00 25.31 H new ATOM 0 HD13 ILE A 76 -0.959 -0.478 1.027 1.00 25.31 H new ATOM 1230 N SER A 77 -4.609 4.432 0.969 1.00 43.24 N ATOM 1231 CA SER A 77 -4.514 5.902 0.919 1.00 41.32 C ATOM 1232 C SER A 77 -5.266 6.521 2.106 1.00 34.03 C ATOM 1233 O SER A 77 -4.806 7.500 2.696 1.00 23.24 O ATOM 1234 CB SER A 77 -5.039 6.450 -0.423 1.00 14.24 C ATOM 1235 OG SER A 77 -6.402 6.138 -0.645 1.00 2.43 O ATOM 0 H SER A 77 -5.173 4.022 0.225 1.00 43.24 H new ATOM 0 HA SER A 77 -3.463 6.182 0.994 1.00 41.32 H new ATOM 0 HB2 SER A 77 -4.910 7.532 -0.444 1.00 14.24 H new ATOM 0 HB3 SER A 77 -4.440 6.042 -1.237 1.00 14.24 H new ATOM 0 HG SER A 77 -6.705 5.495 0.030 1.00 2.43 H new ATOM 1241 N ARG A 78 -6.401 5.903 2.473 1.00 14.24 N ATOM 1242 CA ARG A 78 -7.214 6.349 3.617 1.00 23.35 C ATOM 1243 C ARG A 78 -6.634 5.832 4.944 1.00 75.11 C ATOM 1244 O ARG A 78 -6.922 6.402 5.993 1.00 55.32 O ATOM 1245 CB ARG A 78 -8.694 5.925 3.459 1.00 62.32 C ATOM 1246 CG ARG A 78 -9.365 6.457 2.174 1.00 75.14 C ATOM 1247 CD ARG A 78 -9.250 7.983 1.996 1.00 61.22 C ATOM 1248 NE ARG A 78 -9.821 8.427 0.716 1.00 55.34 N ATOM 1249 CZ ARG A 78 -9.257 9.299 -0.135 1.00 75.15 C ATOM 1250 NH1 ARG A 78 -8.090 9.863 0.121 1.00 15.20 N ATOM 1251 NH2 ARG A 78 -9.886 9.601 -1.246 1.00 31.32 N ATOM 0 H ARG A 78 -6.778 5.088 1.990 1.00 14.24 H new ATOM 0 HA ARG A 78 -7.182 7.438 3.636 1.00 23.35 H new ATOM 0 HB2 ARG A 78 -8.752 4.837 3.463 1.00 62.32 H new ATOM 0 HB3 ARG A 78 -9.257 6.278 4.323 1.00 62.32 H new ATOM 0 HG2 ARG A 78 -8.916 5.965 1.311 1.00 75.14 H new ATOM 0 HG3 ARG A 78 -10.419 6.181 2.185 1.00 75.14 H new ATOM 0 HD2 ARG A 78 -9.763 8.485 2.817 1.00 61.22 H new ATOM 0 HD3 ARG A 78 -8.202 8.277 2.048 1.00 61.22 H new ATOM 0 HE ARG A 78 -10.726 8.038 0.451 1.00 55.34 H new ATOM 0 HH11 ARG A 78 -7.594 9.639 0.984 1.00 15.20 H new ATOM 0 HH12 ARG A 78 -7.685 10.522 -0.544 1.00 15.20 H new ATOM 0 HH21 ARG A 78 -10.790 9.175 -1.452 1.00 31.32 H new ATOM 0 HH22 ARG A 78 -9.471 10.262 -1.903 1.00 31.32 H new ATOM 1265 N THR A 79 -5.823 4.759 4.886 1.00 63.34 N ATOM 1266 CA THR A 79 -5.123 4.214 6.067 1.00 24.54 C ATOM 1267 C THR A 79 -3.830 4.993 6.348 1.00 24.51 C ATOM 1268 O THR A 79 -3.473 5.223 7.504 1.00 2.50 O ATOM 1269 CB THR A 79 -4.819 2.686 5.905 1.00 31.05 C ATOM 1270 OG1 THR A 79 -6.062 1.974 5.801 1.00 71.24 O ATOM 1271 CG2 THR A 79 -3.993 2.106 7.081 1.00 74.10 C ATOM 0 H THR A 79 -5.634 4.247 4.024 1.00 63.34 H new ATOM 0 HA THR A 79 -5.790 4.332 6.921 1.00 24.54 H new ATOM 0 HB THR A 79 -4.218 2.566 5.004 1.00 31.05 H new ATOM 0 HG1 THR A 79 -6.435 2.096 4.903 1.00 71.24 H new ATOM 0 HG21 THR A 79 -3.815 1.044 6.911 1.00 74.10 H new ATOM 0 HG22 THR A 79 -3.039 2.628 7.148 1.00 74.10 H new ATOM 0 HG23 THR A 79 -4.544 2.237 8.012 1.00 74.10 H new ATOM 1279 N VAL A 80 -3.156 5.438 5.291 1.00 23.42 N ATOM 1280 CA VAL A 80 -1.865 6.117 5.426 1.00 42.35 C ATOM 1281 C VAL A 80 -2.091 7.558 5.902 1.00 2.11 C ATOM 1282 O VAL A 80 -1.325 8.059 6.717 1.00 42.12 O ATOM 1283 CB VAL A 80 -1.013 6.057 4.095 1.00 14.34 C ATOM 1284 CG1 VAL A 80 -1.610 6.888 2.945 1.00 0.22 C ATOM 1285 CG2 VAL A 80 0.439 6.463 4.361 1.00 63.51 C ATOM 0 H VAL A 80 -3.481 5.342 4.329 1.00 23.42 H new ATOM 0 HA VAL A 80 -1.275 5.590 6.176 1.00 42.35 H new ATOM 0 HB VAL A 80 -1.040 5.019 3.765 1.00 14.34 H new ATOM 0 HG11 VAL A 80 -0.974 6.800 2.064 1.00 0.22 H new ATOM 0 HG12 VAL A 80 -2.608 6.519 2.710 1.00 0.22 H new ATOM 0 HG13 VAL A 80 -1.671 7.934 3.246 1.00 0.22 H new ATOM 0 HG21 VAL A 80 1.006 6.414 3.432 1.00 63.51 H new ATOM 0 HG22 VAL A 80 0.467 7.481 4.750 1.00 63.51 H new ATOM 0 HG23 VAL A 80 0.879 5.783 5.091 1.00 63.51 H new ATOM 1295 N GLU A 81 -3.193 8.190 5.431 1.00 1.44 N ATOM 1296 CA GLU A 81 -3.564 9.558 5.844 1.00 13.52 C ATOM 1297 C GLU A 81 -4.204 9.542 7.240 1.00 61.20 C ATOM 1298 O GLU A 81 -4.081 10.523 7.985 1.00 21.25 O ATOM 1299 CB GLU A 81 -4.534 10.215 4.820 1.00 33.12 C ATOM 1300 CG GLU A 81 -5.959 9.623 4.823 1.00 51.01 C ATOM 1301 CD GLU A 81 -6.865 10.194 3.732 1.00 53.12 C ATOM 1302 OE1 GLU A 81 -6.581 9.952 2.542 1.00 61.35 O ATOM 1303 OE2 GLU A 81 -7.847 10.899 4.046 1.00 0.50 O ATOM 0 H GLU A 81 -3.840 7.770 4.763 1.00 1.44 H new ATOM 0 HA GLU A 81 -2.652 10.153 5.877 1.00 13.52 H new ATOM 0 HB2 GLU A 81 -4.597 11.283 5.030 1.00 33.12 H new ATOM 0 HB3 GLU A 81 -4.112 10.111 3.820 1.00 33.12 H new ATOM 0 HG2 GLU A 81 -5.894 8.542 4.700 1.00 51.01 H new ATOM 0 HG3 GLU A 81 -6.417 9.806 5.795 1.00 51.01 H new ATOM 1310 N GLN A 82 -4.893 8.421 7.585 1.00 13.01 N ATOM 1311 CA GLN A 82 -5.540 8.281 8.900 1.00 52.31 C ATOM 1312 C GLN A 82 -4.468 8.202 9.972 1.00 15.31 C ATOM 1313 O GLN A 82 -4.639 8.752 11.020 1.00 52.12 O ATOM 1314 CB GLN A 82 -6.517 7.056 9.000 1.00 14.00 C ATOM 1315 CG GLN A 82 -5.892 5.711 9.447 1.00 72.20 C ATOM 1316 CD GLN A 82 -6.836 4.505 9.392 1.00 61.34 C ATOM 1317 OE1 GLN A 82 -6.752 3.601 10.222 1.00 63.43 O ATOM 1318 NE2 GLN A 82 -7.693 4.448 8.384 1.00 64.21 N ATOM 0 H GLN A 82 -5.009 7.614 6.972 1.00 13.01 H new ATOM 0 HA GLN A 82 -6.165 9.162 9.047 1.00 52.31 H new ATOM 0 HB2 GLN A 82 -7.314 7.311 9.698 1.00 14.00 H new ATOM 0 HB3 GLN A 82 -6.982 6.909 8.025 1.00 14.00 H new ATOM 0 HG2 GLN A 82 -5.026 5.504 8.818 1.00 72.20 H new ATOM 0 HG3 GLN A 82 -5.526 5.820 10.468 1.00 72.20 H new ATOM 0 HE21 GLN A 82 -7.740 5.213 7.711 1.00 64.21 H new ATOM 0 HE22 GLN A 82 -8.306 3.639 8.281 1.00 64.21 H new ATOM 1327 N LEU A 83 -3.345 7.527 9.659 1.00 10.44 N ATOM 1328 CA LEU A 83 -2.195 7.399 10.580 1.00 63.01 C ATOM 1329 C LEU A 83 -1.531 8.748 10.825 1.00 44.42 C ATOM 1330 O LEU A 83 -1.115 9.038 11.949 1.00 52.01 O ATOM 1331 CB LEU A 83 -1.175 6.384 10.025 1.00 0.23 C ATOM 1332 CG LEU A 83 -1.635 4.904 10.074 1.00 74.53 C ATOM 1333 CD1 LEU A 83 -0.594 3.993 9.418 1.00 44.31 C ATOM 1334 CD2 LEU A 83 -1.935 4.475 11.527 1.00 70.01 C ATOM 0 H LEU A 83 -3.208 7.056 8.765 1.00 10.44 H new ATOM 0 HA LEU A 83 -2.567 7.033 11.537 1.00 63.01 H new ATOM 0 HB2 LEU A 83 -0.950 6.645 8.991 1.00 0.23 H new ATOM 0 HB3 LEU A 83 -0.246 6.480 10.587 1.00 0.23 H new ATOM 0 HG LEU A 83 -2.560 4.807 9.506 1.00 74.53 H new ATOM 0 HD11 LEU A 83 -0.936 2.959 9.463 1.00 44.31 H new ATOM 0 HD12 LEU A 83 -0.459 4.286 8.377 1.00 44.31 H new ATOM 0 HD13 LEU A 83 0.355 4.085 9.947 1.00 44.31 H new ATOM 0 HD21 LEU A 83 -2.256 3.433 11.540 1.00 70.01 H new ATOM 0 HD22 LEU A 83 -1.035 4.585 12.132 1.00 70.01 H new ATOM 0 HD23 LEU A 83 -2.726 5.104 11.936 1.00 70.01 H new ATOM 1346 N LYS A 84 -1.453 9.561 9.761 1.00 72.34 N ATOM 1347 CA LYS A 84 -0.959 10.946 9.856 1.00 52.21 C ATOM 1348 C LYS A 84 -1.898 11.764 10.747 1.00 41.43 C ATOM 1349 O LYS A 84 -1.435 12.550 11.559 1.00 43.23 O ATOM 1350 CB LYS A 84 -0.835 11.588 8.454 1.00 32.42 C ATOM 1351 CG LYS A 84 0.017 10.767 7.483 1.00 54.34 C ATOM 1352 CD LYS A 84 0.045 11.357 6.056 1.00 31.21 C ATOM 1353 CE LYS A 84 0.624 10.367 5.034 1.00 0.51 C ATOM 1354 NZ LYS A 84 0.676 10.927 3.653 1.00 15.44 N ATOM 0 H LYS A 84 -1.727 9.282 8.819 1.00 72.34 H new ATOM 0 HA LYS A 84 0.036 10.935 10.301 1.00 52.21 H new ATOM 0 HB2 LYS A 84 -1.832 11.717 8.032 1.00 32.42 H new ATOM 0 HB3 LYS A 84 -0.401 12.583 8.555 1.00 32.42 H new ATOM 0 HG2 LYS A 84 1.036 10.706 7.865 1.00 54.34 H new ATOM 0 HG3 LYS A 84 -0.369 9.749 7.441 1.00 54.34 H new ATOM 0 HD2 LYS A 84 -0.966 11.635 5.759 1.00 31.21 H new ATOM 0 HD3 LYS A 84 0.640 12.270 6.053 1.00 31.21 H new ATOM 0 HE2 LYS A 84 1.629 10.079 5.343 1.00 0.51 H new ATOM 0 HE3 LYS A 84 0.020 9.460 5.031 1.00 0.51 H new ATOM 0 HZ1 LYS A 84 1.225 10.290 3.041 1.00 15.44 H new ATOM 0 HZ2 LYS A 84 -0.290 11.019 3.279 1.00 15.44 H new ATOM 0 HZ3 LYS A 84 1.129 11.863 3.675 1.00 15.44 H new ATOM 1368 N ALA A 85 -3.211 11.505 10.604 1.00 41.23 N ATOM 1369 CA ALA A 85 -4.284 12.207 11.357 1.00 73.13 C ATOM 1370 C ALA A 85 -4.410 11.727 12.830 1.00 32.10 C ATOM 1371 O ALA A 85 -4.676 12.534 13.730 1.00 54.44 O ATOM 1372 CB ALA A 85 -5.621 12.039 10.616 1.00 30.31 C ATOM 0 H ALA A 85 -3.567 10.799 9.960 1.00 41.23 H new ATOM 0 HA ALA A 85 -4.013 13.262 11.405 1.00 73.13 H new ATOM 0 HB1 ALA A 85 -6.409 12.553 11.166 1.00 30.31 H new ATOM 0 HB2 ALA A 85 -5.539 12.466 9.616 1.00 30.31 H new ATOM 0 HB3 ALA A 85 -5.864 10.979 10.539 1.00 30.31 H new ATOM 1378 N GLU A 86 -4.206 10.415 13.065 1.00 11.02 N ATOM 1379 CA GLU A 86 -4.336 9.790 14.406 1.00 20.42 C ATOM 1380 C GLU A 86 -3.108 10.155 15.242 1.00 75.34 C ATOM 1381 O GLU A 86 -3.190 10.320 16.457 1.00 1.24 O ATOM 1382 CB GLU A 86 -4.478 8.229 14.315 1.00 54.02 C ATOM 1383 CG GLU A 86 -5.786 7.715 13.659 1.00 31.21 C ATOM 1384 CD GLU A 86 -5.826 6.173 13.489 1.00 42.34 C ATOM 1385 OE1 GLU A 86 -4.985 5.621 12.746 1.00 13.14 O ATOM 1386 OE2 GLU A 86 -6.708 5.505 14.083 1.00 42.24 O ATOM 0 H GLU A 86 -3.946 9.754 12.333 1.00 11.02 H new ATOM 0 HA GLU A 86 -5.243 10.170 14.876 1.00 20.42 H new ATOM 0 HB2 GLU A 86 -3.631 7.837 13.752 1.00 54.02 H new ATOM 0 HB3 GLU A 86 -4.410 7.816 15.321 1.00 54.02 H new ATOM 0 HG2 GLU A 86 -6.635 8.028 14.266 1.00 31.21 H new ATOM 0 HG3 GLU A 86 -5.902 8.184 12.682 1.00 31.21 H new ATOM 1393 N SER A 87 -1.964 10.268 14.564 1.00 53.12 N ATOM 1394 CA SER A 87 -0.704 10.692 15.185 1.00 52.41 C ATOM 1395 C SER A 87 -0.581 12.229 15.190 1.00 24.42 C ATOM 1396 O SER A 87 0.235 12.766 15.943 1.00 53.34 O ATOM 1397 CB SER A 87 0.492 10.039 14.446 1.00 75.42 C ATOM 1398 OG SER A 87 1.731 10.376 15.049 1.00 32.11 O ATOM 0 H SER A 87 -1.883 10.068 13.567 1.00 53.12 H new ATOM 0 HA SER A 87 -0.695 10.360 16.223 1.00 52.41 H new ATOM 0 HB2 SER A 87 0.371 8.956 14.445 1.00 75.42 H new ATOM 0 HB3 SER A 87 0.495 10.361 13.404 1.00 75.42 H new ATOM 0 HG SER A 87 2.462 9.946 14.558 1.00 32.11 H new ATOM 1404 N ALA A 88 -1.389 12.935 14.355 1.00 33.42 N ATOM 1405 CA ALA A 88 -1.329 14.415 14.248 1.00 2.25 C ATOM 1406 C ALA A 88 -1.651 15.086 15.583 1.00 70.32 C ATOM 1407 O ALA A 88 -2.745 14.926 16.126 1.00 2.24 O ATOM 1408 CB ALA A 88 -2.281 14.964 13.168 1.00 4.33 C ATOM 0 H ALA A 88 -2.087 12.503 13.749 1.00 33.42 H new ATOM 0 HA ALA A 88 -0.305 14.652 13.960 1.00 2.25 H new ATOM 0 HB1 ALA A 88 -2.200 16.050 13.129 1.00 4.33 H new ATOM 0 HB2 ALA A 88 -2.011 14.545 12.198 1.00 4.33 H new ATOM 0 HB3 ALA A 88 -3.306 14.685 13.411 1.00 4.33 H new ATOM 1414 N LEU A 89 -0.656 15.804 16.105 1.00 22.05 N ATOM 1415 CA LEU A 89 -0.819 16.739 17.233 1.00 33.11 C ATOM 1416 C LEU A 89 -1.636 17.990 16.812 1.00 54.32 C ATOM 1417 O LEU A 89 -2.078 18.766 17.667 1.00 54.14 O ATOM 1418 CB LEU A 89 0.580 17.155 17.790 1.00 22.15 C ATOM 1419 CG LEU A 89 1.493 18.106 16.928 1.00 13.32 C ATOM 1420 CD1 LEU A 89 2.763 18.468 17.722 1.00 21.42 C ATOM 1421 CD2 LEU A 89 1.881 17.504 15.558 1.00 52.42 C ATOM 0 H LEU A 89 0.301 15.756 15.756 1.00 22.05 H new ATOM 0 HA LEU A 89 -1.375 16.231 18.021 1.00 33.11 H new ATOM 0 HB2 LEU A 89 0.420 17.637 18.754 1.00 22.15 H new ATOM 0 HB3 LEU A 89 1.143 16.241 17.980 1.00 22.15 H new ATOM 0 HG LEU A 89 0.908 19.002 16.720 1.00 13.32 H new ATOM 0 HD11 LEU A 89 3.392 19.126 17.122 1.00 21.42 H new ATOM 0 HD12 LEU A 89 2.483 18.976 18.645 1.00 21.42 H new ATOM 0 HD13 LEU A 89 3.314 17.559 17.961 1.00 21.42 H new ATOM 0 HD21 LEU A 89 2.510 18.210 15.015 1.00 52.42 H new ATOM 0 HD22 LEU A 89 2.428 16.574 15.711 1.00 52.42 H new ATOM 0 HD23 LEU A 89 0.979 17.303 14.980 1.00 52.42 H new ATOM 1433 N GLU A 90 -1.806 18.154 15.482 1.00 64.10 N ATOM 1434 CA GLU A 90 -2.551 19.254 14.843 1.00 11.23 C ATOM 1435 C GLU A 90 -4.055 19.207 15.241 1.00 71.22 C ATOM 1436 O GLU A 90 -4.500 20.028 16.072 1.00 44.23 O ATOM 1437 CB GLU A 90 -2.365 19.143 13.294 1.00 21.41 C ATOM 1438 CG GLU A 90 -0.888 19.106 12.845 1.00 54.25 C ATOM 1439 CD GLU A 90 -0.719 18.752 11.361 1.00 3.21 C ATOM 1440 OE1 GLU A 90 -0.686 17.546 11.032 1.00 52.44 O ATOM 1441 OE2 GLU A 90 -0.634 19.673 10.514 1.00 13.13 O ATOM 1442 OXT GLU A 90 -4.776 18.313 14.754 1.00 38.38 O ATOM 0 H GLU A 90 -1.414 17.501 14.803 1.00 64.10 H new ATOM 0 HA GLU A 90 -2.164 20.214 15.184 1.00 11.23 H new ATOM 0 HB2 GLU A 90 -2.865 18.241 12.941 1.00 21.41 H new ATOM 0 HB3 GLU A 90 -2.859 19.989 12.816 1.00 21.41 H new ATOM 0 HG2 GLU A 90 -0.432 20.078 13.035 1.00 54.25 H new ATOM 0 HG3 GLU A 90 -0.349 18.377 13.450 1.00 54.25 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.366 -13.919 7.765 1.00 31.12 P HETATM 1451 O25 4EM A 101 0.972 -14.415 7.639 1.00 42.02 O HETATM 1452 O26 4EM A 101 3.377 -14.952 8.104 1.00 73.21 O HETATM 1453 O27 4EM A 101 2.451 -12.701 8.820 1.00 13.44 O HETATM 1454 C28 4EM A 101 1.427 -11.711 8.883 1.00 34.01 C HETATM 1455 C29 4EM A 101 1.619 -10.709 10.030 1.00 63.44 C HETATM 1456 C30 4EM A 101 0.481 -9.689 9.952 1.00 54.03 C HETATM 1457 C31 4EM A 101 2.948 -9.961 9.858 1.00 13.04 C HETATM 1458 C32 4EM A 101 1.526 -11.333 11.433 1.00 12.13 C HETATM 1459 O33 4EM A 101 0.180 -11.845 11.629 1.00 3.11 O HETATM 1460 C34 4EM A 101 2.519 -12.459 11.736 1.00 64.53 C HETATM 1461 O35 4EM A 101 3.636 -12.234 12.211 1.00 13.14 O HETATM 1462 N36 4EM A 101 2.055 -13.668 11.457 1.00 0.35 N HETATM 1463 C37 4EM A 101 2.747 -14.938 11.658 1.00 22.31 C HETATM 1464 C38 4EM A 101 2.245 -16.018 10.687 1.00 53.22 C HETATM 1465 C39 4EM A 101 0.736 -16.257 10.786 1.00 42.31 C HETATM 1466 O40 4EM A 101 0.260 -17.011 11.650 1.00 34.31 O HETATM 1467 N41 4EM A 101 -0.013 -15.579 9.889 1.00 10.44 N HETATM 1468 C42 4EM A 101 -1.486 -15.641 9.787 1.00 53.15 C HETATM 1469 C43 4EM A 101 -2.021 -15.375 8.368 1.00 21.52 C HETATM 1470 N44 4EM A 101 -1.732 -14.150 7.896 1.00 44.22 N HETATM 1471 C45 4EM A 101 -2.162 -13.010 8.450 1.00 41.21 C HETATM 1472 O46 4EM A 101 -2.848 -12.938 9.468 1.00 62.34 O HETATM 1473 C47 4EM A 101 -1.765 -11.907 7.819 1.00 33.41 C HETATM 1474 C49 4EM A 101 -2.088 -10.662 8.161 1.00 73.34 C HETATM 1475 C51 4EM A 101 -1.515 -9.854 7.272 1.00 21.11 C HETATM 1476 C50 4EM A 101 -0.865 -10.608 6.386 1.00 11.23 C HETATM 1477 N48 4EM A 101 -1.017 -11.883 6.724 1.00 1.14 N