USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 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 58 TYR OH : rot 180:sc=-0.000401 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0 X(o=-0.0004,f=-0.22) USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0.779 USER MOD Set 2.2: A 54 SER OG : rot 116:sc= 0.841 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.351 K(o=0.92,f=-2.7!) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.567 K(o=0.92,f=-3.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 160:sc= -0.128 (180deg=-0.598) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -1.49 (180deg=-2.02!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.319 K(o=0.32,f=-7.7!) USER MOD Single : A 19 MET CE :methyl 161:sc= -0.228 (180deg=-0.786) USER MOD Single : A 30 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-5.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.132 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00626 USER MOD Single : A 55 CYS SG : rot -122:sc= 0.816 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 144:sc= -1.53 (180deg=-3.94!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= -0.027 (180deg=-0.265) USER MOD Single : A 77 SER OG : rot 180:sc= 0.248 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.502 -4.851 -7.589 1.00 22.30 N ATOM 2 CA GLY A 1 1.358 -4.061 -7.068 1.00 34.43 C ATOM 3 C GLY A 1 1.087 -4.350 -5.601 1.00 54.31 C ATOM 4 O GLY A 1 0.439 -5.348 -5.282 1.00 35.32 O ATOM 0 H1 GLY A 1 2.653 -4.624 -8.593 1.00 22.30 H new ATOM 0 H2 GLY A 1 3.360 -4.618 -7.049 1.00 22.30 H new ATOM 0 H3 GLY A 1 2.296 -5.866 -7.491 1.00 22.30 H new ATOM 0 HA2 GLY A 1 1.563 -2.998 -7.196 1.00 34.43 H new ATOM 0 HA3 GLY A 1 0.466 -4.286 -7.653 1.00 34.43 H new ATOM 10 N PRO A 2 1.576 -3.496 -4.675 1.00 3.42 N ATOM 11 CA PRO A 2 1.392 -3.709 -3.234 1.00 42.11 C ATOM 12 C PRO A 2 -0.070 -3.545 -2.814 1.00 52.42 C ATOM 13 O PRO A 2 -0.540 -2.432 -2.550 1.00 55.43 O ATOM 14 CB PRO A 2 2.280 -2.632 -2.590 1.00 10.24 C ATOM 15 CG PRO A 2 2.374 -1.558 -3.623 1.00 41.31 C ATOM 16 CD PRO A 2 2.335 -2.259 -4.956 1.00 31.52 C ATOM 0 HA PRO A 2 1.660 -4.720 -2.928 1.00 42.11 H new ATOM 0 HB2 PRO A 2 1.841 -2.256 -1.666 1.00 10.24 H new ATOM 0 HB3 PRO A 2 3.264 -3.027 -2.338 1.00 10.24 H new ATOM 0 HG2 PRO A 2 1.548 -0.853 -3.529 1.00 41.31 H new ATOM 0 HG3 PRO A 2 3.295 -0.987 -3.509 1.00 41.31 H new ATOM 0 HD2 PRO A 2 1.843 -1.650 -5.715 1.00 31.52 H new ATOM 0 HD3 PRO A 2 3.338 -2.478 -5.323 1.00 31.52 H new ATOM 24 N GLY A 3 -0.791 -4.658 -2.793 1.00 45.01 N ATOM 25 CA GLY A 3 -2.192 -4.647 -2.413 1.00 21.14 C ATOM 26 C GLY A 3 -2.890 -5.924 -2.831 1.00 63.20 C ATOM 27 O GLY A 3 -2.240 -6.955 -3.028 1.00 32.45 O ATOM 0 H GLY A 3 -0.426 -5.579 -3.035 1.00 45.01 H new ATOM 0 HA2 GLY A 3 -2.276 -4.522 -1.334 1.00 21.14 H new ATOM 0 HA3 GLY A 3 -2.688 -3.792 -2.873 1.00 21.14 H new ATOM 31 N SER A 4 -4.208 -5.866 -2.969 1.00 33.30 N ATOM 32 CA SER A 4 -4.986 -7.021 -3.392 1.00 22.20 C ATOM 33 C SER A 4 -5.217 -6.994 -4.901 1.00 43.34 C ATOM 34 O SER A 4 -6.088 -6.279 -5.396 1.00 12.55 O ATOM 35 CB SER A 4 -6.322 -7.060 -2.644 1.00 64.22 C ATOM 36 OG SER A 4 -6.104 -7.121 -1.241 1.00 5.04 O ATOM 0 H SER A 4 -4.762 -5.028 -2.793 1.00 33.30 H new ATOM 0 HA SER A 4 -4.424 -7.924 -3.152 1.00 22.20 H new ATOM 0 HB2 SER A 4 -6.909 -6.175 -2.889 1.00 64.22 H new ATOM 0 HB3 SER A 4 -6.901 -7.925 -2.966 1.00 64.22 H new ATOM 0 HG SER A 4 -6.967 -7.144 -0.777 1.00 5.04 H new ATOM 42 N MET A 5 -4.405 -7.751 -5.631 1.00 14.31 N ATOM 43 CA MET A 5 -4.554 -7.869 -7.078 1.00 21.41 C ATOM 44 C MET A 5 -5.286 -9.163 -7.411 1.00 3.22 C ATOM 45 O MET A 5 -5.367 -10.071 -6.578 1.00 24.55 O ATOM 46 CB MET A 5 -3.181 -7.832 -7.772 1.00 54.22 C ATOM 47 CG MET A 5 -2.394 -6.550 -7.515 1.00 4.32 C ATOM 48 SD MET A 5 -0.819 -6.501 -8.400 1.00 52.35 S ATOM 49 CE MET A 5 -1.375 -6.519 -10.106 1.00 62.22 C ATOM 0 H MET A 5 -3.634 -8.294 -5.243 1.00 14.31 H new ATOM 0 HA MET A 5 -5.137 -7.024 -7.443 1.00 21.41 H new ATOM 0 HB2 MET A 5 -2.591 -8.683 -7.434 1.00 54.22 H new ATOM 0 HB3 MET A 5 -3.324 -7.950 -8.846 1.00 54.22 H new ATOM 0 HG2 MET A 5 -2.999 -5.693 -7.812 1.00 4.32 H new ATOM 0 HG3 MET A 5 -2.207 -6.453 -6.446 1.00 4.32 H new ATOM 0 HE1 MET A 5 -0.581 -6.143 -10.751 1.00 62.22 H new ATOM 0 HE2 MET A 5 -1.626 -7.539 -10.396 1.00 62.22 H new ATOM 0 HE3 MET A 5 -2.256 -5.886 -10.208 1.00 62.22 H new ATOM 59 N LYS A 6 -5.829 -9.247 -8.621 1.00 60.02 N ATOM 60 CA LYS A 6 -6.548 -10.442 -9.050 1.00 0.51 C ATOM 61 C LYS A 6 -5.547 -11.503 -9.491 1.00 20.35 C ATOM 62 O LYS A 6 -4.518 -11.179 -10.091 1.00 72.41 O ATOM 63 CB LYS A 6 -7.545 -10.126 -10.185 1.00 22.24 C ATOM 64 CG LYS A 6 -8.748 -9.282 -9.748 1.00 51.21 C ATOM 65 CD LYS A 6 -8.376 -7.828 -9.432 1.00 43.02 C ATOM 66 CE LYS A 6 -8.333 -6.948 -10.681 1.00 42.41 C ATOM 67 NZ LYS A 6 -7.358 -7.428 -11.702 1.00 41.11 N ATOM 0 H LYS A 6 -5.785 -8.505 -9.320 1.00 60.02 H new ATOM 0 HA LYS A 6 -7.128 -10.819 -8.208 1.00 0.51 H new ATOM 0 HB2 LYS A 6 -7.017 -9.601 -10.981 1.00 22.24 H new ATOM 0 HB3 LYS A 6 -7.907 -11.064 -10.607 1.00 22.24 H new ATOM 0 HG2 LYS A 6 -9.500 -9.296 -10.537 1.00 51.21 H new ATOM 0 HG3 LYS A 6 -9.202 -9.735 -8.867 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -9.099 -7.417 -8.727 1.00 43.02 H new ATOM 0 HD3 LYS A 6 -7.403 -7.804 -8.941 1.00 43.02 H new ATOM 0 HE2 LYS A 6 -9.327 -6.911 -11.126 1.00 42.41 H new ATOM 0 HE3 LYS A 6 -8.075 -5.929 -10.392 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 -7.198 -6.681 -12.407 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 -6.458 -7.665 -11.238 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -7.737 -8.274 -12.174 1.00 41.11 H new ATOM 81 N ILE A 7 -5.847 -12.761 -9.174 1.00 20.42 N ATOM 82 CA ILE A 7 -4.947 -13.873 -9.461 1.00 44.41 C ATOM 83 C ILE A 7 -4.550 -13.904 -10.938 1.00 2.01 C ATOM 84 O ILE A 7 -5.391 -13.736 -11.826 1.00 74.52 O ATOM 85 CB ILE A 7 -5.574 -15.238 -9.066 1.00 64.54 C ATOM 86 CG1 ILE A 7 -6.881 -15.486 -9.841 1.00 73.53 C ATOM 87 CG2 ILE A 7 -5.823 -15.296 -7.558 1.00 60.11 C ATOM 88 CD1 ILE A 7 -7.500 -16.848 -9.590 1.00 33.43 C ATOM 0 H ILE A 7 -6.715 -13.036 -8.714 1.00 20.42 H new ATOM 0 HA ILE A 7 -4.054 -13.712 -8.857 1.00 44.41 H new ATOM 0 HB ILE A 7 -4.869 -16.026 -9.331 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -7.603 -14.715 -9.571 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -6.684 -15.379 -10.908 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -6.263 -16.259 -7.299 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -4.878 -15.174 -7.028 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -6.506 -14.496 -7.271 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -8.417 -16.944 -10.172 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -6.798 -17.627 -9.887 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -7.731 -16.953 -8.530 1.00 33.43 H new ATOM 100 N MET A 8 -3.261 -14.093 -11.188 1.00 64.41 N ATOM 101 CA MET A 8 -2.745 -14.204 -12.546 1.00 24.40 C ATOM 102 C MET A 8 -2.744 -15.666 -12.975 1.00 34.32 C ATOM 103 O MET A 8 -1.706 -16.330 -12.966 1.00 33.34 O ATOM 104 CB MET A 8 -1.330 -13.610 -12.640 1.00 14.01 C ATOM 105 CG MET A 8 -1.258 -12.124 -12.310 1.00 51.13 C ATOM 106 SD MET A 8 0.432 -11.498 -12.285 1.00 50.30 S ATOM 107 CE MET A 8 0.155 -9.786 -11.840 1.00 14.20 C ATOM 0 H MET A 8 -2.549 -14.173 -10.462 1.00 64.41 H new ATOM 0 HA MET A 8 -3.391 -13.638 -13.217 1.00 24.40 H new ATOM 0 HB2 MET A 8 -0.673 -14.154 -11.962 1.00 14.01 H new ATOM 0 HB3 MET A 8 -0.948 -13.767 -13.649 1.00 14.01 H new ATOM 0 HG2 MET A 8 -1.837 -11.564 -13.044 1.00 51.13 H new ATOM 0 HG3 MET A 8 -1.720 -11.949 -11.339 1.00 51.13 H new ATOM 0 HE1 MET A 8 1.111 -9.265 -11.785 1.00 14.20 H new ATOM 0 HE2 MET A 8 -0.474 -9.311 -12.593 1.00 14.20 H new ATOM 0 HE3 MET A 8 -0.341 -9.738 -10.871 1.00 14.20 H new ATOM 117 N SER A 9 -3.926 -16.174 -13.304 1.00 52.42 N ATOM 118 CA SER A 9 -4.073 -17.559 -13.731 1.00 41.40 C ATOM 119 C SER A 9 -3.560 -17.710 -15.163 1.00 52.44 C ATOM 120 O SER A 9 -2.999 -18.743 -15.531 1.00 2.24 O ATOM 121 CB SER A 9 -5.543 -17.993 -13.622 1.00 11.15 C ATOM 122 OG SER A 9 -5.702 -19.383 -13.869 1.00 3.21 O ATOM 0 H SER A 9 -4.798 -15.645 -13.283 1.00 52.42 H new ATOM 0 HA SER A 9 -3.483 -18.205 -13.081 1.00 41.40 H new ATOM 0 HB2 SER A 9 -5.919 -17.755 -12.627 1.00 11.15 H new ATOM 0 HB3 SER A 9 -6.143 -17.426 -14.334 1.00 11.15 H new ATOM 0 HG SER A 9 -6.649 -19.623 -13.790 1.00 3.21 H new ATOM 128 N ASP A 10 -3.737 -16.657 -15.958 1.00 5.42 N ATOM 129 CA ASP A 10 -3.211 -16.621 -17.320 1.00 71.14 C ATOM 130 C ASP A 10 -1.693 -16.468 -17.270 1.00 13.53 C ATOM 131 O ASP A 10 -1.179 -15.351 -17.199 1.00 34.12 O ATOM 132 CB ASP A 10 -3.821 -15.454 -18.118 1.00 24.34 C ATOM 133 CG ASP A 10 -5.341 -15.477 -18.152 1.00 63.12 C ATOM 134 OD1 ASP A 10 -5.916 -16.235 -18.962 1.00 35.34 O ATOM 135 OD2 ASP A 10 -5.968 -14.724 -17.377 1.00 0.04 O ATOM 0 H ASP A 10 -4.242 -15.815 -15.681 1.00 5.42 H new ATOM 0 HA ASP A 10 -3.477 -17.552 -17.820 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -3.489 -14.512 -17.682 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -3.441 -15.484 -19.139 1.00 24.34 H new ATOM 140 N ASN A 11 -0.981 -17.589 -17.266 1.00 24.23 N ATOM 141 CA ASN A 11 0.475 -17.568 -17.145 1.00 34.43 C ATOM 142 C ASN A 11 1.113 -18.615 -18.060 1.00 13.01 C ATOM 143 O ASN A 11 0.518 -19.661 -18.325 1.00 54.04 O ATOM 144 CB ASN A 11 0.893 -17.827 -15.688 1.00 22.21 C ATOM 145 CG ASN A 11 0.643 -19.262 -15.245 1.00 23.50 C ATOM 146 OD1 ASN A 11 1.504 -20.127 -15.399 1.00 72.51 O ATOM 147 ND2 ASN A 11 -0.535 -19.524 -14.700 1.00 70.34 N ATOM 0 H ASN A 11 -1.385 -18.522 -17.345 1.00 24.23 H new ATOM 0 HA ASN A 11 0.825 -16.581 -17.448 1.00 34.43 H new ATOM 0 HB2 ASN A 11 1.952 -17.596 -15.573 1.00 22.21 H new ATOM 0 HB3 ASN A 11 0.346 -17.149 -15.033 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -0.755 -20.471 -14.391 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -1.223 -18.779 -14.589 1.00 70.34 H new ATOM 154 N PRO A 12 2.331 -18.344 -18.564 1.00 75.11 N ATOM 155 CA PRO A 12 3.090 -19.304 -19.368 1.00 13.21 C ATOM 156 C PRO A 12 3.970 -20.215 -18.507 1.00 32.31 C ATOM 157 O PRO A 12 4.774 -20.992 -19.026 1.00 35.35 O ATOM 158 CB PRO A 12 3.948 -18.385 -20.238 1.00 12.34 C ATOM 159 CG PRO A 12 4.247 -17.215 -19.353 1.00 23.15 C ATOM 160 CD PRO A 12 3.059 -17.061 -18.424 1.00 32.52 C ATOM 0 HA PRO A 12 2.452 -19.988 -19.928 1.00 13.21 H new ATOM 0 HB2 PRO A 12 4.862 -18.883 -20.562 1.00 12.34 H new ATOM 0 HB3 PRO A 12 3.416 -18.078 -21.138 1.00 12.34 H new ATOM 0 HG2 PRO A 12 5.163 -17.382 -18.786 1.00 23.15 H new ATOM 0 HG3 PRO A 12 4.397 -16.311 -19.943 1.00 23.15 H new ATOM 0 HD2 PRO A 12 3.376 -16.891 -17.395 1.00 32.52 H new ATOM 0 HD3 PRO A 12 2.435 -16.214 -18.710 1.00 32.52 H new ATOM 168 N PHE A 13 3.804 -20.116 -17.189 1.00 55.21 N ATOM 169 CA PHE A 13 4.624 -20.873 -16.244 1.00 54.02 C ATOM 170 C PHE A 13 4.071 -22.286 -16.066 1.00 42.42 C ATOM 171 O PHE A 13 4.776 -23.189 -15.622 1.00 10.34 O ATOM 172 CB PHE A 13 4.689 -20.156 -14.886 1.00 54.21 C ATOM 173 CG PHE A 13 5.054 -18.696 -14.985 1.00 45.45 C ATOM 174 CD1 PHE A 13 6.203 -18.294 -15.649 1.00 72.33 C ATOM 175 CD2 PHE A 13 4.242 -17.723 -14.416 1.00 71.32 C ATOM 176 CE1 PHE A 13 6.537 -16.956 -15.742 1.00 73.14 C ATOM 177 CE2 PHE A 13 4.573 -16.383 -14.508 1.00 63.22 C ATOM 178 CZ PHE A 13 5.721 -16.000 -15.171 1.00 55.23 C ATOM 0 H PHE A 13 3.106 -19.516 -16.750 1.00 55.21 H new ATOM 0 HA PHE A 13 5.633 -20.941 -16.650 1.00 54.02 H new ATOM 0 HB2 PHE A 13 3.722 -20.246 -14.391 1.00 54.21 H new ATOM 0 HB3 PHE A 13 5.419 -20.661 -14.254 1.00 54.21 H new ATOM 0 HD1 PHE A 13 6.845 -19.036 -16.099 1.00 72.33 H new ATOM 0 HD2 PHE A 13 3.342 -18.016 -13.896 1.00 71.32 H new ATOM 0 HE1 PHE A 13 7.436 -16.659 -16.261 1.00 73.14 H new ATOM 0 HE2 PHE A 13 3.933 -15.637 -14.061 1.00 63.22 H new ATOM 0 HZ PHE A 13 5.981 -14.954 -15.243 1.00 55.23 H new ATOM 188 N ASP A 14 2.796 -22.460 -16.407 1.00 61.43 N ATOM 189 CA ASP A 14 2.163 -23.783 -16.398 1.00 1.10 C ATOM 190 C ASP A 14 2.102 -24.324 -17.828 1.00 23.42 C ATOM 191 O ASP A 14 1.374 -25.271 -18.128 1.00 64.53 O ATOM 192 CB ASP A 14 0.745 -23.697 -15.793 1.00 24.22 C ATOM 193 CG ASP A 14 0.195 -25.058 -15.365 1.00 25.23 C ATOM 194 OD1 ASP A 14 0.441 -25.464 -14.207 1.00 35.14 O ATOM 195 OD2 ASP A 14 -0.474 -25.735 -16.178 1.00 35.13 O ATOM 0 H ASP A 14 2.177 -21.702 -16.694 1.00 61.43 H new ATOM 0 HA ASP A 14 2.754 -24.461 -15.782 1.00 1.10 H new ATOM 0 HB2 ASP A 14 0.764 -23.031 -14.930 1.00 24.22 H new ATOM 0 HB3 ASP A 14 0.070 -23.252 -16.524 1.00 24.22 H new ATOM 200 N ASP A 15 2.890 -23.716 -18.714 1.00 24.15 N ATOM 201 CA ASP A 15 2.897 -24.089 -20.128 1.00 22.14 C ATOM 202 C ASP A 15 3.913 -25.198 -20.395 1.00 33.41 C ATOM 203 O ASP A 15 4.792 -25.459 -19.576 1.00 21.43 O ATOM 204 CB ASP A 15 3.193 -22.865 -21.007 1.00 33.54 C ATOM 205 CG ASP A 15 3.225 -23.203 -22.491 1.00 71.14 C ATOM 206 OD1 ASP A 15 2.217 -23.727 -23.002 1.00 14.35 O ATOM 207 OD2 ASP A 15 4.259 -22.960 -23.145 1.00 4.14 O ATOM 0 H ASP A 15 3.533 -22.961 -18.477 1.00 24.15 H new ATOM 0 HA ASP A 15 1.907 -24.467 -20.383 1.00 22.14 H new ATOM 0 HB2 ASP A 15 2.435 -22.102 -20.828 1.00 33.54 H new ATOM 0 HB3 ASP A 15 4.152 -22.436 -20.715 1.00 33.54 H new ATOM 212 N GLU A 16 3.784 -25.837 -21.552 1.00 64.42 N ATOM 213 CA GLU A 16 4.599 -26.996 -21.909 1.00 72.15 C ATOM 214 C GLU A 16 5.963 -26.595 -22.489 1.00 0.22 C ATOM 215 O GLU A 16 6.923 -27.366 -22.410 1.00 14.11 O ATOM 216 CB GLU A 16 3.829 -27.856 -22.923 1.00 10.52 C ATOM 217 CG GLU A 16 3.460 -27.109 -24.204 1.00 35.24 C ATOM 218 CD GLU A 16 2.556 -27.918 -25.123 1.00 43.11 C ATOM 219 OE1 GLU A 16 3.070 -28.746 -25.899 1.00 60.31 O ATOM 220 OE2 GLU A 16 1.323 -27.728 -25.074 1.00 71.15 O ATOM 0 H GLU A 16 3.112 -25.567 -22.270 1.00 64.42 H new ATOM 0 HA GLU A 16 4.795 -27.563 -20.999 1.00 72.15 H new ATOM 0 HB2 GLU A 16 4.433 -28.726 -23.181 1.00 10.52 H new ATOM 0 HB3 GLU A 16 2.918 -28.228 -22.454 1.00 10.52 H new ATOM 0 HG2 GLU A 16 2.962 -26.175 -23.943 1.00 35.24 H new ATOM 0 HG3 GLU A 16 4.372 -26.845 -24.740 1.00 35.24 H new ATOM 227 N ASP A 17 6.049 -25.397 -23.064 1.00 22.24 N ATOM 228 CA ASP A 17 7.257 -24.974 -23.785 1.00 3.22 C ATOM 229 C ASP A 17 8.328 -24.433 -22.842 1.00 74.54 C ATOM 230 O ASP A 17 9.523 -24.462 -23.156 1.00 14.22 O ATOM 231 CB ASP A 17 6.893 -23.896 -24.814 1.00 73.41 C ATOM 232 CG ASP A 17 8.102 -23.365 -25.574 1.00 11.32 C ATOM 233 OD1 ASP A 17 8.604 -24.073 -26.471 1.00 74.33 O ATOM 234 OD2 ASP A 17 8.557 -22.235 -25.281 1.00 23.03 O ATOM 0 H ASP A 17 5.303 -24.702 -23.047 1.00 22.24 H new ATOM 0 HA ASP A 17 7.665 -25.852 -24.285 1.00 3.22 H new ATOM 0 HB2 ASP A 17 6.176 -24.307 -25.525 1.00 73.41 H new ATOM 0 HB3 ASP A 17 6.398 -23.068 -24.305 1.00 73.41 H new ATOM 239 N GLY A 18 7.903 -23.969 -21.676 1.00 22.32 N ATOM 240 CA GLY A 18 8.826 -23.370 -20.731 1.00 55.12 C ATOM 241 C GLY A 18 9.630 -24.403 -19.968 1.00 21.01 C ATOM 242 O GLY A 18 9.138 -25.496 -19.684 1.00 22.31 O ATOM 0 H GLY A 18 6.932 -23.996 -21.366 1.00 22.32 H new ATOM 0 HA2 GLY A 18 9.507 -22.706 -21.264 1.00 55.12 H new ATOM 0 HA3 GLY A 18 8.269 -22.754 -20.025 1.00 55.12 H new ATOM 246 N MET A 19 10.871 -24.057 -19.646 1.00 71.05 N ATOM 247 CA MET A 19 11.716 -24.905 -18.814 1.00 33.54 C ATOM 248 C MET A 19 11.752 -24.334 -17.404 1.00 63.41 C ATOM 249 O MET A 19 12.034 -23.151 -17.219 1.00 61.02 O ATOM 250 CB MET A 19 13.138 -24.982 -19.391 1.00 64.03 C ATOM 251 CG MET A 19 13.179 -25.430 -20.845 1.00 15.00 C ATOM 252 SD MET A 19 14.859 -25.616 -21.479 1.00 45.42 S ATOM 253 CE MET A 19 15.493 -26.906 -20.408 1.00 24.42 C ATOM 0 H MET A 19 11.316 -23.191 -19.950 1.00 71.05 H new ATOM 0 HA MET A 19 11.305 -25.914 -18.792 1.00 33.54 H new ATOM 0 HB2 MET A 19 13.609 -24.003 -19.307 1.00 64.03 H new ATOM 0 HB3 MET A 19 13.729 -25.673 -18.789 1.00 64.03 H new ATOM 0 HG2 MET A 19 12.653 -26.380 -20.942 1.00 15.00 H new ATOM 0 HG3 MET A 19 12.643 -24.705 -21.458 1.00 15.00 H new ATOM 0 HE1 MET A 19 16.368 -27.364 -20.869 1.00 24.42 H new ATOM 0 HE2 MET A 19 15.772 -26.476 -19.446 1.00 24.42 H new ATOM 0 HE3 MET A 19 14.724 -27.664 -20.257 1.00 24.42 H new ATOM 263 N PHE A 20 11.457 -25.164 -16.413 1.00 61.25 N ATOM 264 CA PHE A 20 11.376 -24.710 -15.026 1.00 32.04 C ATOM 265 C PHE A 20 12.172 -25.652 -14.124 1.00 71.52 C ATOM 266 O PHE A 20 12.437 -26.797 -14.497 1.00 70.12 O ATOM 267 CB PHE A 20 9.906 -24.658 -14.561 1.00 3.13 C ATOM 268 CG PHE A 20 8.912 -24.284 -15.640 1.00 61.03 C ATOM 269 CD1 PHE A 20 8.935 -23.032 -16.242 1.00 54.41 C ATOM 270 CD2 PHE A 20 7.956 -25.199 -16.056 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.023 -22.706 -17.234 1.00 24.51 C ATOM 272 CE2 PHE A 20 7.046 -24.877 -17.043 1.00 71.41 C ATOM 273 CZ PHE A 20 7.079 -23.631 -17.633 1.00 15.24 C ATOM 0 H PHE A 20 11.269 -26.158 -16.541 1.00 61.25 H new ATOM 0 HA PHE A 20 11.799 -23.707 -14.962 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.633 -25.633 -14.157 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.823 -23.940 -13.745 1.00 3.13 H new ATOM 0 HD1 PHE A 20 9.671 -22.305 -15.934 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.923 -26.178 -15.601 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.051 -21.729 -17.694 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.308 -25.602 -17.353 1.00 71.41 H new ATOM 0 HZ PHE A 20 6.368 -23.379 -18.406 1.00 15.24 H new ATOM 283 N PHE A 21 12.556 -25.170 -12.944 1.00 10.12 N ATOM 284 CA PHE A 21 13.283 -25.988 -11.968 1.00 12.01 C ATOM 285 C PHE A 21 12.388 -26.351 -10.789 1.00 31.14 C ATOM 286 O PHE A 21 11.466 -25.606 -10.444 1.00 62.34 O ATOM 287 CB PHE A 21 14.565 -25.285 -11.470 1.00 11.41 C ATOM 288 CG PHE A 21 14.571 -23.786 -11.599 1.00 11.11 C ATOM 289 CD1 PHE A 21 14.972 -23.187 -12.783 1.00 12.25 C ATOM 290 CD2 PHE A 21 14.200 -22.977 -10.537 1.00 14.31 C ATOM 291 CE1 PHE A 21 14.997 -21.817 -12.908 1.00 70.43 C ATOM 292 CE2 PHE A 21 14.226 -21.602 -10.656 1.00 22.23 C ATOM 293 CZ PHE A 21 14.626 -21.021 -11.842 1.00 73.54 C ATOM 0 H PHE A 21 12.376 -24.214 -12.637 1.00 10.12 H new ATOM 0 HA PHE A 21 13.582 -26.904 -12.477 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.717 -25.543 -10.422 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.416 -25.684 -12.023 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.269 -23.804 -13.618 1.00 12.25 H new ATOM 0 HD2 PHE A 21 13.887 -23.427 -9.606 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.306 -21.365 -13.839 1.00 70.43 H new ATOM 0 HE2 PHE A 21 13.934 -20.982 -9.822 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.649 -19.945 -11.937 1.00 73.54 H new ATOM 303 N VAL A 22 12.669 -27.494 -10.169 1.00 32.43 N ATOM 304 CA VAL A 22 11.876 -27.976 -9.046 1.00 52.22 C ATOM 305 C VAL A 22 12.606 -27.659 -7.748 1.00 31.51 C ATOM 306 O VAL A 22 13.789 -27.996 -7.597 1.00 75.34 O ATOM 307 CB VAL A 22 11.607 -29.503 -9.140 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.712 -29.969 -7.992 1.00 24.52 C ATOM 309 CG2 VAL A 22 10.997 -29.862 -10.496 1.00 1.01 C ATOM 0 H VAL A 22 13.444 -28.105 -10.428 1.00 32.43 H new ATOM 0 HA VAL A 22 10.910 -27.472 -9.070 1.00 52.22 H new ATOM 0 HB VAL A 22 12.560 -30.024 -9.052 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.538 -31.041 -8.079 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.200 -29.757 -7.041 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.759 -29.442 -8.036 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.817 -30.936 -10.541 1.00 1.01 H new ATOM 0 HG22 VAL A 22 10.054 -29.330 -10.623 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.685 -29.576 -11.292 1.00 1.01 H new ATOM 319 N LEU A 23 11.904 -26.997 -6.829 1.00 13.42 N ATOM 320 CA LEU A 23 12.487 -26.562 -5.561 1.00 60.42 C ATOM 321 C LEU A 23 11.837 -27.309 -4.398 1.00 65.53 C ATOM 322 O LEU A 23 10.807 -27.969 -4.570 1.00 63.14 O ATOM 323 CB LEU A 23 12.277 -25.052 -5.363 1.00 73.02 C ATOM 324 CG LEU A 23 12.748 -24.146 -6.513 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.424 -22.686 -6.211 1.00 65.11 C ATOM 326 CD2 LEU A 23 14.234 -24.313 -6.773 1.00 32.23 C ATOM 0 H LEU A 23 10.921 -26.748 -6.941 1.00 13.42 H new ATOM 0 HA LEU A 23 13.555 -26.779 -5.586 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.215 -24.872 -5.198 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.796 -24.750 -4.454 1.00 73.02 H new ATOM 0 HG LEU A 23 12.212 -24.446 -7.414 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.764 -22.060 -7.036 1.00 65.11 H new ATOM 0 HD12 LEU A 23 11.347 -22.570 -6.088 1.00 65.11 H new ATOM 0 HD13 LEU A 23 12.929 -22.384 -5.293 1.00 65.11 H new ATOM 0 HD21 LEU A 23 14.536 -23.659 -7.591 1.00 32.23 H new ATOM 0 HD22 LEU A 23 14.792 -24.051 -5.874 1.00 32.23 H new ATOM 0 HD23 LEU A 23 14.442 -25.349 -7.040 1.00 32.23 H new ATOM 338 N ILE A 24 12.435 -27.191 -3.215 1.00 4.03 N ATOM 339 CA ILE A 24 11.864 -27.760 -2.003 1.00 14.44 C ATOM 340 C ILE A 24 12.115 -26.832 -0.811 1.00 20.22 C ATOM 341 O ILE A 24 13.232 -26.340 -0.613 1.00 63.42 O ATOM 342 CB ILE A 24 12.435 -29.174 -1.700 1.00 41.31 C ATOM 343 CG1 ILE A 24 11.632 -29.862 -0.584 1.00 51.34 C ATOM 344 CG2 ILE A 24 13.913 -29.105 -1.321 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.132 -31.252 -0.250 1.00 72.04 C ATOM 0 H ILE A 24 13.319 -26.703 -3.073 1.00 4.03 H new ATOM 0 HA ILE A 24 10.791 -27.862 -2.166 1.00 14.44 H new ATOM 0 HB ILE A 24 12.344 -29.767 -2.610 1.00 41.31 H new ATOM 0 HG12 ILE A 24 11.670 -29.245 0.314 1.00 51.34 H new ATOM 0 HG13 ILE A 24 10.586 -29.923 -0.884 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.283 -30.109 -1.115 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.480 -28.671 -2.145 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.032 -28.485 -0.432 1.00 63.03 H new ATOM 0 HD11 ILE A 24 11.520 -31.678 0.545 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.068 -31.884 -1.136 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.169 -31.196 0.081 1.00 72.04 H new ATOM 357 N ASN A 25 11.059 -26.559 -0.050 1.00 75.55 N ATOM 358 CA ASN A 25 11.171 -25.799 1.190 1.00 14.42 C ATOM 359 C ASN A 25 11.356 -26.769 2.346 1.00 33.01 C ATOM 360 O ASN A 25 10.898 -27.917 2.271 1.00 70.04 O ATOM 361 CB ASN A 25 9.928 -24.931 1.416 1.00 41.24 C ATOM 362 CG ASN A 25 10.055 -24.008 2.614 1.00 20.01 C ATOM 363 OD1 ASN A 25 11.152 -23.589 2.982 1.00 54.42 O ATOM 364 ND2 ASN A 25 8.929 -23.674 3.217 1.00 44.54 N ATOM 0 H ASN A 25 10.109 -26.856 -0.273 1.00 75.55 H new ATOM 0 HA ASN A 25 12.032 -25.133 1.125 1.00 14.42 H new ATOM 0 HB2 ASN A 25 9.742 -24.334 0.523 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.061 -25.577 1.553 1.00 41.24 H new ATOM 0 HD21 ASN A 25 8.948 -23.046 4.020 1.00 44.54 H new ATOM 0 HD22 ASN A 25 8.040 -24.044 2.879 1.00 44.54 H new ATOM 371 N ASP A 26 11.977 -26.285 3.419 1.00 0.51 N ATOM 372 CA ASP A 26 12.495 -27.141 4.495 1.00 41.45 C ATOM 373 C ASP A 26 11.427 -28.081 5.065 1.00 23.42 C ATOM 374 O ASP A 26 11.747 -29.161 5.570 1.00 60.33 O ATOM 375 CB ASP A 26 13.102 -26.287 5.614 1.00 15.32 C ATOM 376 CG ASP A 26 14.138 -27.054 6.421 1.00 11.14 C ATOM 377 OD1 ASP A 26 15.250 -27.279 5.891 1.00 61.30 O ATOM 378 OD2 ASP A 26 13.865 -27.424 7.579 1.00 61.45 O ATOM 0 H ASP A 26 12.138 -25.289 3.571 1.00 0.51 H new ATOM 0 HA ASP A 26 13.272 -27.767 4.056 1.00 41.45 H new ATOM 0 HB2 ASP A 26 13.564 -25.399 5.182 1.00 15.32 H new ATOM 0 HB3 ASP A 26 12.309 -25.942 6.277 1.00 15.32 H new ATOM 383 N GLU A 27 10.160 -27.684 4.971 1.00 22.54 N ATOM 384 CA GLU A 27 9.050 -28.550 5.381 1.00 61.02 C ATOM 385 C GLU A 27 8.767 -29.612 4.307 1.00 61.13 C ATOM 386 O GLU A 27 7.632 -30.068 4.160 1.00 71.33 O ATOM 387 CB GLU A 27 7.770 -27.731 5.645 1.00 25.02 C ATOM 388 CG GLU A 27 7.926 -26.605 6.663 1.00 4.32 C ATOM 389 CD GLU A 27 8.496 -25.330 6.056 1.00 34.53 C ATOM 390 OE1 GLU A 27 7.712 -24.524 5.515 1.00 24.01 O ATOM 391 OE2 GLU A 27 9.724 -25.128 6.117 1.00 73.21 O ATOM 0 H GLU A 27 9.874 -26.772 4.616 1.00 22.54 H new ATOM 0 HA GLU A 27 9.345 -29.044 6.307 1.00 61.02 H new ATOM 0 HB2 GLU A 27 7.429 -27.304 4.702 1.00 25.02 H new ATOM 0 HB3 GLU A 27 6.988 -28.407 5.990 1.00 25.02 H new ATOM 0 HG2 GLU A 27 6.955 -26.387 7.107 1.00 4.32 H new ATOM 0 HG3 GLU A 27 8.578 -26.940 7.470 1.00 4.32 H new ATOM 398 N GLU A 28 9.813 -30.020 3.579 1.00 74.33 N ATOM 399 CA GLU A 28 9.694 -30.963 2.467 1.00 5.20 C ATOM 400 C GLU A 28 8.646 -30.510 1.453 1.00 42.14 C ATOM 401 O GLU A 28 8.035 -31.333 0.759 1.00 30.30 O ATOM 402 CB GLU A 28 9.370 -32.360 3.001 1.00 11.13 C ATOM 403 CG GLU A 28 10.419 -32.886 3.967 1.00 44.12 C ATOM 404 CD GLU A 28 11.772 -33.119 3.311 1.00 45.01 C ATOM 405 OE1 GLU A 28 11.918 -34.112 2.569 1.00 15.51 O ATOM 406 OE2 GLU A 28 12.703 -32.319 3.551 1.00 33.23 O ATOM 0 H GLU A 28 10.768 -29.703 3.747 1.00 74.33 H new ATOM 0 HA GLU A 28 10.651 -30.996 1.946 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.402 -32.336 3.502 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.277 -33.051 2.163 1.00 11.13 H new ATOM 0 HG2 GLU A 28 10.537 -32.178 4.787 1.00 44.12 H new ATOM 0 HG3 GLU A 28 10.067 -33.821 4.402 1.00 44.12 H new ATOM 413 N GLN A 29 8.461 -29.198 1.334 1.00 64.21 N ATOM 414 CA GLN A 29 7.461 -28.672 0.409 1.00 51.25 C ATOM 415 C GLN A 29 8.048 -28.623 -0.989 1.00 33.51 C ATOM 416 O GLN A 29 8.976 -27.870 -1.251 1.00 74.21 O ATOM 417 CB GLN A 29 6.984 -27.278 0.840 1.00 71.23 C ATOM 418 CG GLN A 29 6.379 -27.249 2.237 1.00 15.21 C ATOM 419 CD GLN A 29 5.865 -25.873 2.644 1.00 15.23 C ATOM 420 OE1 GLN A 29 6.380 -24.841 2.207 1.00 50.34 O ATOM 421 NE2 GLN A 29 4.844 -25.851 3.487 1.00 41.25 N ATOM 0 H GLN A 29 8.979 -28.491 1.855 1.00 64.21 H new ATOM 0 HA GLN A 29 6.594 -29.333 0.417 1.00 51.25 H new ATOM 0 HB2 GLN A 29 7.826 -26.587 0.803 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.244 -26.918 0.125 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.558 -27.964 2.285 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.129 -27.576 2.957 1.00 15.21 H new ATOM 0 HE21 GLN A 29 4.444 -26.726 3.827 1.00 41.25 H new ATOM 0 HE22 GLN A 29 4.457 -24.959 3.796 1.00 41.25 H new ATOM 430 N HIS A 30 7.481 -29.407 -1.884 1.00 71.42 N ATOM 431 CA HIS A 30 7.995 -29.534 -3.243 1.00 42.33 C ATOM 432 C HIS A 30 7.119 -28.740 -4.201 1.00 72.03 C ATOM 433 O HIS A 30 5.893 -28.859 -4.171 1.00 21.01 O ATOM 434 CB HIS A 30 8.071 -31.019 -3.639 1.00 50.11 C ATOM 435 CG HIS A 30 6.951 -31.849 -3.078 1.00 63.33 C ATOM 436 ND1 HIS A 30 6.978 -32.374 -1.800 1.00 62.20 N ATOM 437 CD2 HIS A 30 5.766 -32.232 -3.611 1.00 60.32 C ATOM 438 CE1 HIS A 30 5.865 -33.041 -1.574 1.00 74.33 C ATOM 439 NE2 HIS A 30 5.108 -32.968 -2.654 1.00 40.22 N ATOM 0 H HIS A 30 6.654 -29.974 -1.696 1.00 71.42 H new ATOM 0 HA HIS A 30 9.004 -29.125 -3.295 1.00 42.33 H new ATOM 0 HB2 HIS A 30 8.061 -31.098 -4.726 1.00 50.11 H new ATOM 0 HB3 HIS A 30 9.022 -31.429 -3.299 1.00 50.11 H new ATOM 0 HD1 HIS A 30 7.742 -32.262 -1.134 1.00 62.20 H new ATOM 0 HD2 HIS A 30 5.405 -32.002 -4.603 1.00 60.32 H new ATOM 0 HE1 HIS A 30 5.614 -33.560 -0.661 1.00 74.33 H new ATOM 448 N SER A 31 7.757 -27.946 -5.050 1.00 35.33 N ATOM 449 CA SER A 31 7.067 -27.007 -5.904 1.00 44.32 C ATOM 450 C SER A 31 7.928 -26.723 -7.126 1.00 41.34 C ATOM 451 O SER A 31 9.023 -27.276 -7.270 1.00 42.53 O ATOM 452 CB SER A 31 6.756 -25.710 -5.136 1.00 53.22 C ATOM 453 OG SER A 31 5.946 -24.834 -5.904 1.00 51.33 O ATOM 0 H SER A 31 8.771 -27.940 -5.161 1.00 35.33 H new ATOM 0 HA SER A 31 6.118 -27.435 -6.228 1.00 44.32 H new ATOM 0 HB2 SER A 31 6.249 -25.951 -4.202 1.00 53.22 H new ATOM 0 HB3 SER A 31 7.688 -25.209 -4.873 1.00 53.22 H new ATOM 0 HG SER A 31 5.764 -24.020 -5.389 1.00 51.33 H new ATOM 459 N LEU A 32 7.446 -25.843 -7.980 1.00 3.13 N ATOM 460 CA LEU A 32 8.033 -25.644 -9.291 1.00 2.12 C ATOM 461 C LEU A 32 8.210 -24.148 -9.557 1.00 23.13 C ATOM 462 O LEU A 32 7.309 -23.354 -9.272 1.00 0.03 O ATOM 463 CB LEU A 32 7.109 -26.308 -10.324 1.00 20.23 C ATOM 464 CG LEU A 32 7.772 -27.319 -11.274 1.00 74.50 C ATOM 465 CD1 LEU A 32 6.750 -27.885 -12.260 1.00 31.30 C ATOM 466 CD2 LEU A 32 8.944 -26.685 -12.010 1.00 54.31 C ATOM 0 H LEU A 32 6.640 -25.248 -7.787 1.00 3.13 H new ATOM 0 HA LEU A 32 9.022 -26.098 -9.355 1.00 2.12 H new ATOM 0 HB2 LEU A 32 6.306 -26.815 -9.790 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.647 -25.525 -10.925 1.00 20.23 H new ATOM 0 HG LEU A 32 8.159 -28.144 -10.675 1.00 74.50 H new ATOM 0 HD11 LEU A 32 7.240 -28.598 -12.923 1.00 31.30 H new ATOM 0 HD12 LEU A 32 5.954 -28.388 -11.711 1.00 31.30 H new ATOM 0 HD13 LEU A 32 6.326 -27.073 -12.851 1.00 31.30 H new ATOM 0 HD21 LEU A 32 9.396 -27.420 -12.676 1.00 54.31 H new ATOM 0 HD22 LEU A 32 8.590 -25.836 -12.594 1.00 54.31 H new ATOM 0 HD23 LEU A 32 9.686 -26.345 -11.288 1.00 54.31 H new ATOM 478 N TRP A 33 9.367 -23.773 -10.092 1.00 3.12 N ATOM 479 CA TRP A 33 9.731 -22.368 -10.251 1.00 32.24 C ATOM 480 C TRP A 33 10.277 -22.117 -11.663 1.00 54.31 C ATOM 481 O TRP A 33 11.133 -22.862 -12.142 1.00 25.10 O ATOM 482 CB TRP A 33 10.787 -22.001 -9.193 1.00 63.34 C ATOM 483 CG TRP A 33 10.828 -20.545 -8.831 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.765 -19.623 -9.209 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.890 -19.846 -8.002 1.00 60.41 C ATOM 486 NE1 TRP A 33 11.468 -18.403 -8.657 1.00 2.11 N ATOM 487 CE2 TRP A 33 10.322 -18.510 -7.922 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.725 -20.218 -7.320 1.00 13.51 C ATOM 489 CZ2 TRP A 33 9.638 -17.547 -7.191 1.00 54.44 C ATOM 490 CZ3 TRP A 33 8.043 -19.257 -6.595 1.00 3.41 C ATOM 491 CH2 TRP A 33 8.503 -17.934 -6.537 1.00 1.12 C ATOM 0 H TRP A 33 10.074 -24.428 -10.426 1.00 3.12 H new ATOM 0 HA TRP A 33 8.848 -21.744 -10.113 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.595 -22.581 -8.290 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.769 -22.299 -9.560 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.612 -19.825 -9.847 1.00 61.25 H new ATOM 0 HE1 TRP A 33 12.016 -17.551 -8.777 1.00 2.11 H new ATOM 0 HE3 TRP A 33 8.366 -21.236 -7.359 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 9.991 -16.528 -7.141 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 7.142 -19.530 -6.066 1.00 3.41 H new ATOM 0 HH2 TRP A 33 7.949 -17.206 -5.963 1.00 1.12 H new ATOM 502 N PRO A 34 9.783 -21.071 -12.355 1.00 25.13 N ATOM 503 CA PRO A 34 10.193 -20.769 -13.730 1.00 42.25 C ATOM 504 C PRO A 34 11.546 -20.057 -13.805 1.00 14.23 C ATOM 505 O PRO A 34 11.958 -19.374 -12.864 1.00 50.31 O ATOM 506 CB PRO A 34 9.074 -19.848 -14.224 1.00 31.40 C ATOM 507 CG PRO A 34 8.629 -19.122 -12.999 1.00 22.21 C ATOM 508 CD PRO A 34 8.787 -20.097 -11.854 1.00 51.42 C ATOM 0 HA PRO A 34 10.326 -21.673 -14.325 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.434 -19.158 -14.987 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.257 -20.417 -14.668 1.00 31.40 H new ATOM 0 HG2 PRO A 34 9.231 -18.228 -12.836 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.593 -18.796 -13.094 1.00 22.21 H new ATOM 0 HD2 PRO A 34 9.135 -19.599 -10.949 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.842 -20.582 -11.608 1.00 51.42 H new ATOM 516 N THR A 35 12.208 -20.197 -14.954 1.00 20.31 N ATOM 517 CA THR A 35 13.514 -19.585 -15.204 1.00 14.53 C ATOM 518 C THR A 35 13.455 -18.061 -15.089 1.00 24.53 C ATOM 519 O THR A 35 14.450 -17.405 -14.784 1.00 70.21 O ATOM 520 CB THR A 35 14.007 -19.966 -16.620 1.00 2.34 C ATOM 521 OG1 THR A 35 12.943 -19.765 -17.562 1.00 13.41 O ATOM 522 CG2 THR A 35 14.468 -21.419 -16.680 1.00 20.12 C ATOM 0 H THR A 35 11.852 -20.740 -15.741 1.00 20.31 H new ATOM 0 HA THR A 35 14.205 -19.960 -14.449 1.00 14.53 H new ATOM 0 HB THR A 35 14.858 -19.331 -16.867 1.00 2.34 H new ATOM 0 HG1 THR A 35 13.252 -20.004 -18.461 1.00 13.41 H new ATOM 0 HG21 THR A 35 14.807 -21.652 -17.689 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.288 -21.570 -15.978 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.639 -22.075 -16.416 1.00 20.12 H new ATOM 530 N PHE A 36 12.266 -17.516 -15.318 1.00 54.32 N ATOM 531 CA PHE A 36 12.060 -16.070 -15.368 1.00 23.33 C ATOM 532 C PHE A 36 12.115 -15.442 -13.976 1.00 20.31 C ATOM 533 O PHE A 36 12.160 -14.218 -13.841 1.00 11.01 O ATOM 534 CB PHE A 36 10.705 -15.765 -16.020 1.00 71.31 C ATOM 535 CG PHE A 36 10.462 -16.535 -17.295 1.00 0.31 C ATOM 536 CD1 PHE A 36 11.084 -16.164 -18.477 1.00 21.12 C ATOM 537 CD2 PHE A 36 9.618 -17.639 -17.306 1.00 72.31 C ATOM 538 CE1 PHE A 36 10.867 -16.875 -19.643 1.00 35.02 C ATOM 539 CE2 PHE A 36 9.400 -18.353 -18.467 1.00 4.13 C ATOM 540 CZ PHE A 36 10.024 -17.971 -19.637 1.00 61.34 C ATOM 0 H PHE A 36 11.418 -18.061 -15.474 1.00 54.32 H new ATOM 0 HA PHE A 36 12.865 -15.637 -15.961 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.910 -15.993 -15.310 1.00 71.31 H new ATOM 0 HB3 PHE A 36 10.645 -14.698 -16.233 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.745 -15.310 -18.487 1.00 21.12 H new ATOM 0 HD2 PHE A 36 9.126 -17.942 -16.394 1.00 72.31 H new ATOM 0 HE1 PHE A 36 11.356 -16.574 -20.558 1.00 35.02 H new ATOM 0 HE2 PHE A 36 8.742 -19.209 -18.460 1.00 4.13 H new ATOM 0 HZ PHE A 36 9.854 -18.527 -20.547 1.00 61.34 H new ATOM 550 N ALA A 37 12.106 -16.278 -12.943 1.00 31.31 N ATOM 551 CA ALA A 37 12.075 -15.797 -11.563 1.00 2.32 C ATOM 552 C ALA A 37 13.311 -16.254 -10.789 1.00 65.11 C ATOM 553 O ALA A 37 13.948 -17.249 -11.145 1.00 71.31 O ATOM 554 CB ALA A 37 10.803 -16.276 -10.874 1.00 32.12 C ATOM 0 H ALA A 37 12.120 -17.294 -13.034 1.00 31.31 H new ATOM 0 HA ALA A 37 12.081 -14.707 -11.580 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.787 -15.914 -9.846 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.934 -15.892 -11.407 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.777 -17.366 -10.875 1.00 32.12 H new ATOM 560 N ASP A 38 13.641 -15.518 -9.731 1.00 62.40 N ATOM 561 CA ASP A 38 14.798 -15.830 -8.888 1.00 71.51 C ATOM 562 C ASP A 38 14.394 -16.774 -7.762 1.00 32.04 C ATOM 563 O ASP A 38 13.239 -16.782 -7.336 1.00 55.21 O ATOM 564 CB ASP A 38 15.411 -14.547 -8.309 1.00 73.44 C ATOM 565 CG ASP A 38 16.517 -14.817 -7.294 1.00 11.53 C ATOM 566 OD1 ASP A 38 17.490 -15.520 -7.637 1.00 12.15 O ATOM 567 OD2 ASP A 38 16.414 -14.330 -6.146 1.00 71.03 O ATOM 0 H ASP A 38 13.120 -14.693 -9.433 1.00 62.40 H new ATOM 0 HA ASP A 38 15.549 -16.321 -9.507 1.00 71.51 H new ATOM 0 HB2 ASP A 38 15.813 -13.944 -9.123 1.00 73.44 H new ATOM 0 HB3 ASP A 38 14.626 -13.959 -7.834 1.00 73.44 H new ATOM 572 N VAL A 39 15.353 -17.560 -7.294 1.00 54.22 N ATOM 573 CA VAL A 39 15.103 -18.583 -6.278 1.00 43.22 C ATOM 574 C VAL A 39 14.814 -17.945 -4.912 1.00 15.13 C ATOM 575 O VAL A 39 15.671 -17.256 -4.353 1.00 15.20 O ATOM 576 CB VAL A 39 16.311 -19.550 -6.152 1.00 24.11 C ATOM 577 CG1 VAL A 39 16.046 -20.628 -5.097 1.00 4.21 C ATOM 578 CG2 VAL A 39 16.636 -20.183 -7.505 1.00 12.12 C ATOM 0 H VAL A 39 16.324 -17.510 -7.604 1.00 54.22 H new ATOM 0 HA VAL A 39 14.228 -19.149 -6.596 1.00 43.22 H new ATOM 0 HB VAL A 39 17.175 -18.971 -5.827 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.908 -21.291 -5.030 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.875 -20.156 -4.129 1.00 4.21 H new ATOM 0 HG13 VAL A 39 15.166 -21.205 -5.380 1.00 4.21 H new ATOM 0 HG21 VAL A 39 17.485 -20.858 -7.397 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.771 -20.743 -7.862 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.883 -19.401 -8.223 1.00 12.12 H new ATOM 588 N PRO A 40 13.599 -18.156 -4.364 1.00 15.15 N ATOM 589 CA PRO A 40 13.218 -17.612 -3.054 1.00 14.42 C ATOM 590 C PRO A 40 13.976 -18.296 -1.910 1.00 75.04 C ATOM 591 O PRO A 40 14.059 -19.529 -1.851 1.00 54.23 O ATOM 592 CB PRO A 40 11.710 -17.893 -2.971 1.00 2.52 C ATOM 593 CG PRO A 40 11.487 -19.061 -3.873 1.00 3.34 C ATOM 594 CD PRO A 40 12.505 -18.939 -4.977 1.00 13.40 C ATOM 0 HA PRO A 40 13.459 -16.554 -2.957 1.00 14.42 H new ATOM 0 HB2 PRO A 40 11.406 -18.119 -1.949 1.00 2.52 H new ATOM 0 HB3 PRO A 40 11.129 -17.029 -3.293 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.610 -19.999 -3.332 1.00 3.34 H new ATOM 0 HG3 PRO A 40 10.474 -19.055 -4.275 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.852 -19.917 -5.311 1.00 13.40 H new ATOM 0 HD3 PRO A 40 12.091 -18.433 -5.849 1.00 13.40 H new ATOM 602 N ALA A 41 14.527 -17.486 -1.007 1.00 33.41 N ATOM 603 CA ALA A 41 15.315 -17.997 0.110 1.00 52.11 C ATOM 604 C ALA A 41 14.497 -18.988 0.940 1.00 43.14 C ATOM 605 O ALA A 41 13.377 -18.689 1.363 1.00 23.12 O ATOM 606 CB ALA A 41 15.809 -16.844 0.980 1.00 52.40 C ATOM 0 H ALA A 41 14.441 -16.470 -1.029 1.00 33.41 H new ATOM 0 HA ALA A 41 16.181 -18.525 -0.290 1.00 52.11 H new ATOM 0 HB1 ALA A 41 16.395 -17.239 1.809 1.00 52.40 H new ATOM 0 HB2 ALA A 41 16.430 -16.177 0.382 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.955 -16.291 1.371 1.00 52.40 H new ATOM 612 N GLY A 42 15.071 -20.164 1.165 1.00 10.21 N ATOM 613 CA GLY A 42 14.386 -21.223 1.882 1.00 25.41 C ATOM 614 C GLY A 42 13.975 -22.347 0.955 1.00 61.12 C ATOM 615 O GLY A 42 13.891 -23.509 1.368 1.00 34.40 O ATOM 0 H GLY A 42 16.013 -20.405 0.858 1.00 10.21 H new ATOM 0 HA2 GLY A 42 15.037 -21.615 2.663 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.503 -20.817 2.376 1.00 25.41 H new ATOM 619 N TRP A 43 13.741 -22.003 -0.309 1.00 42.44 N ATOM 620 CA TRP A 43 13.357 -22.985 -1.319 1.00 35.33 C ATOM 621 C TRP A 43 14.585 -23.410 -2.114 1.00 5.14 C ATOM 622 O TRP A 43 15.008 -22.725 -3.044 1.00 44.43 O ATOM 623 CB TRP A 43 12.282 -22.412 -2.254 1.00 0.31 C ATOM 624 CG TRP A 43 10.994 -22.081 -1.555 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.726 -20.970 -0.803 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.796 -22.868 -1.546 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.442 -21.025 -0.323 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.850 -22.176 -0.765 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.429 -24.093 -2.119 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.566 -22.663 -0.547 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.150 -24.573 -1.899 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.233 -23.859 -1.118 1.00 1.41 C ATOM 0 H TRP A 43 13.811 -21.047 -0.659 1.00 42.44 H new ATOM 0 HA TRP A 43 12.937 -23.858 -0.819 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.669 -21.512 -2.731 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.081 -23.132 -3.048 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.423 -20.167 -0.615 1.00 10.04 H new ATOM 0 HE1 TRP A 43 9.000 -20.321 0.268 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.131 -24.652 -2.721 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 6.856 -22.114 0.054 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 7.854 -25.515 -2.337 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.243 -24.262 -0.964 1.00 1.41 H new ATOM 643 N ARG A 44 15.162 -24.536 -1.725 1.00 11.32 N ATOM 644 CA ARG A 44 16.406 -25.011 -2.322 1.00 5.43 C ATOM 645 C ARG A 44 16.119 -25.848 -3.566 1.00 3.31 C ATOM 646 O ARG A 44 15.138 -26.590 -3.619 1.00 13.14 O ATOM 647 CB ARG A 44 17.208 -25.806 -1.285 1.00 25.21 C ATOM 648 CG ARG A 44 16.494 -27.050 -0.763 1.00 12.21 C ATOM 649 CD ARG A 44 16.930 -27.414 0.653 1.00 42.25 C ATOM 650 NE ARG A 44 16.623 -26.345 1.610 1.00 33.10 N ATOM 651 CZ ARG A 44 16.155 -26.550 2.845 1.00 75.23 C ATOM 652 NH1 ARG A 44 15.941 -27.784 3.288 1.00 51.22 N ATOM 653 NH2 ARG A 44 15.903 -25.521 3.640 1.00 70.20 N ATOM 0 H ARG A 44 14.789 -25.143 -0.995 1.00 11.32 H new ATOM 0 HA ARG A 44 17.004 -24.155 -2.635 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.158 -26.105 -1.728 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.440 -25.154 -0.443 1.00 25.21 H new ATOM 0 HG2 ARG A 44 15.417 -26.882 -0.778 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.695 -27.889 -1.430 1.00 12.21 H new ATOM 0 HD2 ARG A 44 16.431 -28.333 0.962 1.00 42.25 H new ATOM 0 HD3 ARG A 44 18.001 -27.614 0.663 1.00 42.25 H new ATOM 0 HE ARG A 44 16.777 -25.381 1.313 1.00 33.10 H new ATOM 0 HH11 ARG A 44 16.134 -28.583 2.684 1.00 51.22 H new ATOM 0 HH12 ARG A 44 15.584 -27.932 4.232 1.00 51.22 H new ATOM 0 HH21 ARG A 44 16.066 -24.570 3.310 1.00 70.20 H new ATOM 0 HH22 ARG A 44 15.546 -25.680 4.582 1.00 70.20 H new ATOM 667 N VAL A 45 16.978 -25.710 -4.568 1.00 33.52 N ATOM 668 CA VAL A 45 16.788 -26.385 -5.848 1.00 3.11 C ATOM 669 C VAL A 45 17.046 -27.885 -5.716 1.00 0.20 C ATOM 670 O VAL A 45 18.076 -28.299 -5.179 1.00 14.01 O ATOM 671 CB VAL A 45 17.732 -25.813 -6.935 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.434 -26.442 -8.295 1.00 31.31 C ATOM 673 CG2 VAL A 45 17.635 -24.288 -7.012 1.00 40.23 C ATOM 0 H VAL A 45 17.818 -25.134 -4.519 1.00 33.52 H new ATOM 0 HA VAL A 45 15.754 -26.214 -6.146 1.00 3.11 H new ATOM 0 HB VAL A 45 18.754 -26.067 -6.654 1.00 42.52 H new ATOM 0 HG11 VAL A 45 18.108 -26.026 -9.044 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.578 -27.521 -8.236 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.403 -26.228 -8.577 1.00 31.31 H new ATOM 0 HG21 VAL A 45 18.310 -23.919 -7.784 1.00 40.23 H new ATOM 0 HG22 VAL A 45 16.612 -24.000 -7.256 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.914 -23.857 -6.051 1.00 40.23 H new ATOM 683 N VAL A 46 16.102 -28.689 -6.194 1.00 33.24 N ATOM 684 CA VAL A 46 16.265 -30.139 -6.227 1.00 13.35 C ATOM 685 C VAL A 46 16.503 -30.599 -7.661 1.00 21.32 C ATOM 686 O VAL A 46 17.267 -31.536 -7.913 1.00 22.43 O ATOM 687 CB VAL A 46 15.030 -30.874 -5.637 1.00 43.02 C ATOM 688 CG1 VAL A 46 14.563 -30.185 -4.368 1.00 54.42 C ATOM 689 CG2 VAL A 46 13.882 -30.972 -6.641 1.00 11.10 C ATOM 0 H VAL A 46 15.211 -28.359 -6.566 1.00 33.24 H new ATOM 0 HA VAL A 46 17.127 -30.390 -5.609 1.00 13.35 H new ATOM 0 HB VAL A 46 15.341 -31.892 -5.401 1.00 43.02 H new ATOM 0 HG11 VAL A 46 13.697 -30.711 -3.966 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.367 -30.194 -3.632 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.289 -29.154 -4.593 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.042 -31.494 -6.183 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.570 -29.970 -6.936 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.214 -31.522 -7.521 1.00 11.10 H new ATOM 699 N PHE A 47 15.852 -29.916 -8.600 1.00 63.21 N ATOM 700 CA PHE A 47 15.980 -30.230 -10.018 1.00 72.55 C ATOM 701 C PHE A 47 16.179 -28.932 -10.789 1.00 11.21 C ATOM 702 O PHE A 47 15.455 -27.966 -10.556 1.00 10.30 O ATOM 703 CB PHE A 47 14.717 -30.962 -10.509 1.00 21.25 C ATOM 704 CG PHE A 47 14.916 -31.797 -11.756 1.00 31.24 C ATOM 705 CD1 PHE A 47 15.427 -31.243 -12.923 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.587 -33.144 -11.753 1.00 35.11 C ATOM 707 CE1 PHE A 47 15.607 -32.017 -14.054 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.763 -33.920 -12.882 1.00 61.52 C ATOM 709 CZ PHE A 47 15.273 -33.357 -14.033 1.00 51.14 C ATOM 0 H PHE A 47 15.226 -29.136 -8.400 1.00 63.21 H new ATOM 0 HA PHE A 47 16.837 -30.883 -10.181 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.354 -31.608 -9.710 1.00 21.25 H new ATOM 0 HB3 PHE A 47 13.938 -30.225 -10.702 1.00 21.25 H new ATOM 0 HD1 PHE A 47 15.687 -30.195 -12.947 1.00 33.42 H new ATOM 0 HD2 PHE A 47 14.188 -33.593 -10.855 1.00 35.11 H new ATOM 0 HE1 PHE A 47 16.009 -31.574 -14.954 1.00 40.53 H new ATOM 0 HE2 PHE A 47 14.501 -34.968 -12.863 1.00 61.52 H new ATOM 0 HZ PHE A 47 15.411 -33.963 -14.916 1.00 51.14 H new ATOM 719 N GLY A 48 17.159 -28.913 -11.687 1.00 65.51 N ATOM 720 CA GLY A 48 17.447 -27.714 -12.456 1.00 3.32 C ATOM 721 C GLY A 48 16.408 -27.446 -13.531 1.00 73.14 C ATOM 722 O GLY A 48 15.463 -28.221 -13.697 1.00 32.53 O ATOM 0 H GLY A 48 17.761 -29.709 -11.897 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.497 -26.858 -11.783 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.428 -27.812 -12.921 1.00 3.32 H new ATOM 726 N GLU A 49 16.578 -26.339 -14.254 1.00 43.12 N ATOM 727 CA GLU A 49 15.664 -25.962 -15.333 1.00 43.14 C ATOM 728 C GLU A 49 15.537 -27.088 -16.362 1.00 60.45 C ATOM 729 O GLU A 49 16.520 -27.478 -16.998 1.00 2.22 O ATOM 730 CB GLU A 49 16.143 -24.664 -16.002 1.00 51.44 C ATOM 731 CG GLU A 49 17.624 -24.670 -16.368 1.00 44.04 C ATOM 732 CD GLU A 49 18.097 -23.350 -16.957 1.00 14.21 C ATOM 733 OE1 GLU A 49 18.170 -22.354 -16.208 1.00 63.23 O ATOM 734 OE2 GLU A 49 18.408 -23.301 -18.166 1.00 54.24 O ATOM 0 H GLU A 49 17.346 -25.683 -14.111 1.00 43.12 H new ATOM 0 HA GLU A 49 14.677 -25.790 -14.904 1.00 43.14 H new ATOM 0 HB2 GLU A 49 15.556 -24.493 -16.904 1.00 51.44 H new ATOM 0 HB3 GLU A 49 15.947 -23.827 -15.332 1.00 51.44 H new ATOM 0 HG2 GLU A 49 18.211 -24.895 -15.478 1.00 44.04 H new ATOM 0 HG3 GLU A 49 17.812 -25.469 -17.085 1.00 44.04 H new ATOM 741 N ALA A 50 14.326 -27.614 -16.500 1.00 15.04 N ATOM 742 CA ALA A 50 14.051 -28.724 -17.409 1.00 15.21 C ATOM 743 C ALA A 50 12.641 -28.605 -17.980 1.00 3.12 C ATOM 744 O ALA A 50 11.847 -27.791 -17.507 1.00 24.11 O ATOM 745 CB ALA A 50 14.227 -30.056 -16.685 1.00 15.15 C ATOM 0 H ALA A 50 13.508 -27.285 -15.987 1.00 15.04 H new ATOM 0 HA ALA A 50 14.761 -28.684 -18.235 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.019 -30.875 -17.374 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.251 -30.140 -16.321 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.537 -30.106 -15.843 1.00 15.15 H new ATOM 751 N SER A 51 12.354 -29.386 -19.020 1.00 24.24 N ATOM 752 CA SER A 51 11.025 -29.423 -19.619 1.00 52.43 C ATOM 753 C SER A 51 9.952 -29.724 -18.561 1.00 62.51 C ATOM 754 O SER A 51 10.133 -30.598 -17.707 1.00 55.12 O ATOM 755 CB SER A 51 11.007 -30.461 -20.750 1.00 22.31 C ATOM 756 OG SER A 51 11.815 -31.584 -20.424 1.00 22.35 O ATOM 0 H SER A 51 13.031 -30.005 -19.466 1.00 24.24 H new ATOM 0 HA SER A 51 10.792 -28.444 -20.038 1.00 52.43 H new ATOM 0 HB2 SER A 51 9.983 -30.786 -20.933 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.367 -30.005 -21.672 1.00 22.31 H new ATOM 0 HG SER A 51 11.786 -32.232 -21.159 1.00 22.35 H new ATOM 762 N ARG A 52 8.839 -28.997 -18.652 1.00 22.34 N ATOM 763 CA ARG A 52 7.775 -29.014 -17.645 1.00 33.32 C ATOM 764 C ARG A 52 7.362 -30.443 -17.279 1.00 54.14 C ATOM 765 O ARG A 52 7.190 -30.760 -16.100 1.00 52.31 O ATOM 766 CB ARG A 52 6.568 -28.208 -18.169 1.00 3.52 C ATOM 767 CG ARG A 52 5.471 -27.915 -17.136 1.00 42.23 C ATOM 768 CD ARG A 52 4.506 -29.081 -16.950 1.00 23.53 C ATOM 769 NE ARG A 52 3.398 -28.745 -16.046 1.00 22.00 N ATOM 770 CZ ARG A 52 2.301 -28.074 -16.411 1.00 21.21 C ATOM 771 NH1 ARG A 52 2.153 -27.661 -17.662 1.00 61.40 N ATOM 772 NH2 ARG A 52 1.352 -27.813 -15.521 1.00 1.50 N ATOM 0 H ARG A 52 8.647 -28.372 -19.435 1.00 22.34 H new ATOM 0 HA ARG A 52 8.152 -28.552 -16.733 1.00 33.32 H new ATOM 0 HB2 ARG A 52 6.931 -27.260 -18.566 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.123 -28.753 -19.001 1.00 3.52 H new ATOM 0 HG2 ARG A 52 5.934 -27.677 -16.179 1.00 42.23 H new ATOM 0 HG3 ARG A 52 4.912 -27.033 -17.447 1.00 42.23 H new ATOM 0 HD2 ARG A 52 4.105 -29.377 -17.919 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.048 -29.940 -16.554 1.00 23.53 H new ATOM 0 HE ARG A 52 3.471 -29.044 -15.074 1.00 22.00 H new ATOM 0 HH11 ARG A 52 2.879 -27.855 -18.352 1.00 61.40 H new ATOM 0 HH12 ARG A 52 1.314 -27.149 -17.934 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.459 -28.125 -14.556 1.00 1.50 H new ATOM 0 HH22 ARG A 52 0.516 -27.301 -15.802 1.00 1.50 H new ATOM 786 N ALA A 53 7.209 -31.298 -18.283 1.00 30.50 N ATOM 787 CA ALA A 53 6.769 -32.678 -18.059 1.00 22.15 C ATOM 788 C ALA A 53 7.757 -33.446 -17.178 1.00 62.54 C ATOM 789 O ALA A 53 7.353 -34.208 -16.293 1.00 54.12 O ATOM 790 CB ALA A 53 6.565 -33.395 -19.389 1.00 32.44 C ATOM 0 H ALA A 53 7.382 -31.065 -19.261 1.00 30.50 H new ATOM 0 HA ALA A 53 5.816 -32.642 -17.531 1.00 22.15 H new ATOM 0 HB1 ALA A 53 6.238 -34.418 -19.204 1.00 32.44 H new ATOM 0 HB2 ALA A 53 5.807 -32.872 -19.972 1.00 32.44 H new ATOM 0 HB3 ALA A 53 7.504 -33.408 -19.943 1.00 32.44 H new ATOM 796 N SER A 54 9.047 -33.232 -17.417 1.00 73.43 N ATOM 797 CA SER A 54 10.092 -33.875 -16.630 1.00 14.52 C ATOM 798 C SER A 54 10.030 -33.374 -15.186 1.00 44.42 C ATOM 799 O SER A 54 10.136 -34.152 -14.228 1.00 24.13 O ATOM 800 CB SER A 54 11.459 -33.569 -17.254 1.00 35.32 C ATOM 801 OG SER A 54 11.430 -33.780 -18.658 1.00 32.13 O ATOM 0 H SER A 54 9.394 -32.616 -18.152 1.00 73.43 H new ATOM 0 HA SER A 54 9.943 -34.955 -16.627 1.00 14.52 H new ATOM 0 HB2 SER A 54 11.738 -32.537 -17.042 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.221 -34.204 -16.802 1.00 35.32 H new ATOM 0 HG SER A 54 11.576 -32.928 -19.120 1.00 32.13 H new ATOM 807 N CYS A 55 9.828 -32.066 -15.052 1.00 64.42 N ATOM 808 CA CYS A 55 9.686 -31.424 -13.751 1.00 0.12 C ATOM 809 C CYS A 55 8.544 -32.061 -12.962 1.00 61.34 C ATOM 810 O CYS A 55 8.727 -32.484 -11.821 1.00 2.11 O ATOM 811 CB CYS A 55 9.423 -29.929 -13.945 1.00 24.25 C ATOM 812 SG CYS A 55 10.639 -29.104 -14.993 1.00 34.22 S ATOM 0 H CYS A 55 9.758 -31.424 -15.841 1.00 64.42 H new ATOM 0 HA CYS A 55 10.609 -31.558 -13.187 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.433 -29.798 -14.381 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.409 -29.443 -12.970 1.00 24.25 H new ATOM 0 HG CYS A 55 11.188 -28.127 -14.334 1.00 34.22 H new ATOM 818 N VAL A 56 7.375 -32.148 -13.594 1.00 30.54 N ATOM 819 CA VAL A 56 6.195 -32.727 -12.961 1.00 40.14 C ATOM 820 C VAL A 56 6.442 -34.185 -12.592 1.00 14.44 C ATOM 821 O VAL A 56 6.020 -34.646 -11.529 1.00 25.45 O ATOM 822 CB VAL A 56 4.953 -32.624 -13.878 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.748 -33.345 -13.268 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.622 -31.160 -14.152 1.00 22.04 C ATOM 0 H VAL A 56 7.221 -31.823 -14.548 1.00 30.54 H new ATOM 0 HA VAL A 56 6.000 -32.156 -12.053 1.00 40.14 H new ATOM 0 HB VAL A 56 5.187 -33.115 -14.822 1.00 40.34 H new ATOM 0 HG11 VAL A 56 2.892 -33.254 -13.937 1.00 63.11 H new ATOM 0 HG12 VAL A 56 3.988 -34.399 -13.127 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.505 -32.896 -12.305 1.00 63.11 H new ATOM 0 HG21 VAL A 56 3.746 -31.100 -14.798 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.414 -30.652 -13.211 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.469 -30.681 -14.643 1.00 22.04 H new ATOM 834 N GLU A 57 7.133 -34.899 -13.474 1.00 20.53 N ATOM 835 CA GLU A 57 7.469 -36.299 -13.240 1.00 63.13 C ATOM 836 C GLU A 57 8.272 -36.434 -11.945 1.00 50.11 C ATOM 837 O GLU A 57 7.973 -37.279 -11.096 1.00 23.30 O ATOM 838 CB GLU A 57 8.275 -36.856 -14.423 1.00 41.24 C ATOM 839 CG GLU A 57 8.398 -38.375 -14.421 1.00 22.23 C ATOM 840 CD GLU A 57 7.047 -39.064 -14.544 1.00 72.21 C ATOM 841 OE1 GLU A 57 6.369 -38.868 -15.575 1.00 62.23 O ATOM 842 OE2 GLU A 57 6.651 -39.792 -13.610 1.00 2.33 O ATOM 0 H GLU A 57 7.473 -34.529 -14.362 1.00 20.53 H new ATOM 0 HA GLU A 57 6.547 -36.872 -13.145 1.00 63.13 H new ATOM 0 HB2 GLU A 57 7.803 -36.540 -15.353 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.274 -36.420 -14.408 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.039 -38.686 -15.246 1.00 22.23 H new ATOM 0 HG3 GLU A 57 8.885 -38.697 -13.500 1.00 22.23 H new ATOM 849 N TYR A 58 9.284 -35.580 -11.792 1.00 31.40 N ATOM 850 CA TYR A 58 10.130 -35.616 -10.604 1.00 21.01 C ATOM 851 C TYR A 58 9.328 -35.223 -9.359 1.00 34.14 C ATOM 852 O TYR A 58 9.423 -35.880 -8.315 1.00 14.54 O ATOM 853 CB TYR A 58 11.345 -34.696 -10.767 1.00 21.12 C ATOM 854 CG TYR A 58 12.352 -34.840 -9.640 1.00 75.13 C ATOM 855 CD1 TYR A 58 13.329 -35.833 -9.674 1.00 72.45 C ATOM 856 CD2 TYR A 58 12.314 -34.000 -8.529 1.00 60.21 C ATOM 857 CE1 TYR A 58 14.236 -35.978 -8.643 1.00 61.43 C ATOM 858 CE2 TYR A 58 13.217 -34.144 -7.495 1.00 50.22 C ATOM 859 CZ TYR A 58 14.174 -35.133 -7.557 1.00 32.20 C ATOM 860 OH TYR A 58 15.068 -35.283 -6.527 1.00 3.54 O ATOM 0 H TYR A 58 9.535 -34.861 -12.471 1.00 31.40 H new ATOM 0 HA TYR A 58 10.490 -36.637 -10.479 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.835 -34.915 -11.715 1.00 21.12 H new ATOM 0 HB3 TYR A 58 11.007 -33.661 -10.815 1.00 21.12 H new ATOM 0 HD1 TYR A 58 13.378 -36.501 -10.521 1.00 72.45 H new ATOM 0 HD2 TYR A 58 11.566 -33.223 -8.476 1.00 60.21 H new ATOM 0 HE1 TYR A 58 14.990 -36.750 -8.688 1.00 61.43 H new ATOM 0 HE2 TYR A 58 13.173 -33.484 -6.641 1.00 50.22 H new ATOM 0 HH TYR A 58 14.890 -34.608 -5.839 1.00 3.54 H new ATOM 870 N VAL A 59 8.551 -34.142 -9.474 1.00 73.44 N ATOM 871 CA VAL A 59 7.673 -33.694 -8.388 1.00 43.10 C ATOM 872 C VAL A 59 6.762 -34.831 -7.925 1.00 65.21 C ATOM 873 O VAL A 59 6.537 -35.006 -6.726 1.00 73.20 O ATOM 874 CB VAL A 59 6.796 -32.483 -8.813 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.825 -32.089 -7.697 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.668 -31.293 -9.209 1.00 61.22 C ATOM 0 H VAL A 59 8.512 -33.559 -10.310 1.00 73.44 H new ATOM 0 HA VAL A 59 8.320 -33.383 -7.568 1.00 43.10 H new ATOM 0 HB VAL A 59 6.211 -32.784 -9.682 1.00 52.21 H new ATOM 0 HG11 VAL A 59 5.224 -31.239 -8.021 1.00 2.35 H new ATOM 0 HG12 VAL A 59 5.171 -32.931 -7.470 1.00 2.35 H new ATOM 0 HG13 VAL A 59 6.388 -31.816 -6.805 1.00 2.35 H new ATOM 0 HG21 VAL A 59 7.032 -30.458 -9.503 1.00 61.22 H new ATOM 0 HG22 VAL A 59 8.287 -30.998 -8.362 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.308 -31.573 -10.046 1.00 61.22 H new ATOM 886 N ASP A 60 6.253 -35.605 -8.881 1.00 75.12 N ATOM 887 CA ASP A 60 5.355 -36.721 -8.579 1.00 61.12 C ATOM 888 C ASP A 60 6.053 -37.748 -7.690 1.00 13.10 C ATOM 889 O ASP A 60 5.501 -38.186 -6.679 1.00 12.42 O ATOM 890 CB ASP A 60 4.869 -37.390 -9.870 1.00 0.13 C ATOM 891 CG ASP A 60 3.874 -38.516 -9.606 1.00 0.51 C ATOM 892 OD1 ASP A 60 2.654 -38.239 -9.558 1.00 71.44 O ATOM 893 OD2 ASP A 60 4.305 -39.680 -9.453 1.00 73.32 O ATOM 0 H ASP A 60 6.447 -35.480 -9.875 1.00 75.12 H new ATOM 0 HA ASP A 60 4.492 -36.324 -8.045 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.403 -36.641 -10.510 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.726 -37.787 -10.414 1.00 0.13 H new ATOM 898 N GLN A 61 7.276 -38.114 -8.063 1.00 23.32 N ATOM 899 CA GLN A 61 8.048 -39.093 -7.301 1.00 62.44 C ATOM 900 C GLN A 61 8.344 -38.577 -5.893 1.00 1.45 C ATOM 901 O GLN A 61 8.300 -39.327 -4.919 1.00 71.45 O ATOM 902 CB GLN A 61 9.357 -39.430 -8.025 1.00 35.42 C ATOM 903 CG GLN A 61 9.153 -40.060 -9.400 1.00 44.34 C ATOM 904 CD GLN A 61 10.455 -40.503 -10.048 1.00 0.31 C ATOM 905 OE1 GLN A 61 11.515 -39.918 -9.813 1.00 50.34 O ATOM 906 NE2 GLN A 61 10.386 -41.544 -10.863 1.00 74.24 N ATOM 0 H GLN A 61 7.754 -37.749 -8.887 1.00 23.32 H new ATOM 0 HA GLN A 61 7.450 -40.001 -7.217 1.00 62.44 H new ATOM 0 HB2 GLN A 61 9.945 -38.519 -8.136 1.00 35.42 H new ATOM 0 HB3 GLN A 61 9.939 -40.112 -7.405 1.00 35.42 H new ATOM 0 HG2 GLN A 61 8.490 -40.920 -9.305 1.00 44.34 H new ATOM 0 HG3 GLN A 61 8.654 -39.343 -10.052 1.00 44.34 H new ATOM 0 HE21 GLN A 61 9.490 -42.001 -11.032 1.00 74.24 H new ATOM 0 HE22 GLN A 61 11.229 -41.889 -11.322 1.00 74.24 H new ATOM 915 N HIS A 62 8.633 -37.282 -5.794 1.00 24.43 N ATOM 916 CA HIS A 62 8.936 -36.653 -4.506 1.00 12.13 C ATOM 917 C HIS A 62 7.686 -36.028 -3.888 1.00 73.21 C ATOM 918 O HIS A 62 7.772 -35.243 -2.943 1.00 73.04 O ATOM 919 CB HIS A 62 10.057 -35.605 -4.659 1.00 15.25 C ATOM 920 CG HIS A 62 11.423 -36.220 -4.762 1.00 73.13 C ATOM 921 ND1 HIS A 62 12.450 -35.941 -3.883 1.00 73.44 N ATOM 922 CD2 HIS A 62 11.921 -37.121 -5.641 1.00 44.25 C ATOM 923 CE1 HIS A 62 13.516 -36.645 -4.219 1.00 2.04 C ATOM 924 NE2 HIS A 62 13.220 -37.367 -5.281 1.00 65.22 N ATOM 0 H HIS A 62 8.664 -36.645 -6.590 1.00 24.43 H new ATOM 0 HA HIS A 62 9.288 -37.431 -3.829 1.00 12.13 H new ATOM 0 HB2 HIS A 62 9.867 -35.004 -5.548 1.00 15.25 H new ATOM 0 HB3 HIS A 62 10.033 -34.927 -3.806 1.00 15.25 H new ATOM 0 HD2 HIS A 62 11.392 -37.564 -6.472 1.00 44.25 H new ATOM 0 HE1 HIS A 62 14.468 -36.631 -3.710 1.00 2.04 H new ATOM 0 HE2 HIS A 62 13.856 -38.006 -5.758 1.00 65.22 H new ATOM 933 N TRP A 63 6.523 -36.375 -4.432 1.00 60.44 N ATOM 934 CA TRP A 63 5.253 -35.950 -3.856 1.00 71.34 C ATOM 935 C TRP A 63 5.000 -36.711 -2.557 1.00 41.12 C ATOM 936 O TRP A 63 4.430 -36.172 -1.604 1.00 70.10 O ATOM 937 CB TRP A 63 4.105 -36.184 -4.850 1.00 63.22 C ATOM 938 CG TRP A 63 2.765 -35.707 -4.357 1.00 41.44 C ATOM 939 CD1 TRP A 63 2.257 -34.444 -4.458 1.00 1.51 C ATOM 940 CD2 TRP A 63 1.765 -36.490 -3.684 1.00 15.33 C ATOM 941 NE1 TRP A 63 1.008 -34.392 -3.890 1.00 61.23 N ATOM 942 CE2 TRP A 63 0.683 -35.634 -3.407 1.00 5.13 C ATOM 943 CE3 TRP A 63 1.681 -37.830 -3.291 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -0.466 -36.073 -2.754 1.00 75.22 C ATOM 945 CZ3 TRP A 63 0.540 -38.265 -2.643 1.00 11.13 C ATOM 946 CH2 TRP A 63 -0.520 -37.389 -2.379 1.00 44.21 C ATOM 0 H TRP A 63 6.435 -36.949 -5.270 1.00 60.44 H new ATOM 0 HA TRP A 63 5.300 -34.883 -3.640 1.00 71.34 H new ATOM 0 HB2 TRP A 63 4.339 -35.676 -5.786 1.00 63.22 H new ATOM 0 HB3 TRP A 63 4.041 -37.249 -5.072 1.00 63.22 H new ATOM 0 HD1 TRP A 63 2.763 -33.608 -4.917 1.00 1.51 H new ATOM 0 HE1 TRP A 63 0.417 -33.563 -3.836 1.00 61.23 H new ATOM 0 HE3 TRP A 63 2.494 -38.513 -3.490 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -1.285 -35.400 -2.551 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 0.465 -39.298 -2.335 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -1.398 -37.759 -1.869 1.00 44.21 H new ATOM 957 N THR A 64 5.445 -37.961 -2.540 1.00 15.20 N ATOM 958 CA THR A 64 5.296 -38.833 -1.387 1.00 15.11 C ATOM 959 C THR A 64 6.193 -38.377 -0.230 1.00 62.45 C ATOM 960 O THR A 64 7.314 -37.908 -0.454 1.00 30.34 O ATOM 961 CB THR A 64 5.648 -40.289 -1.775 1.00 50.23 C ATOM 962 OG1 THR A 64 4.885 -40.682 -2.928 1.00 30.31 O ATOM 963 CG2 THR A 64 5.374 -41.255 -0.627 1.00 51.44 C ATOM 0 H THR A 64 5.921 -38.398 -3.329 1.00 15.20 H new ATOM 0 HA THR A 64 4.258 -38.784 -1.058 1.00 15.11 H new ATOM 0 HB THR A 64 6.713 -40.328 -2.004 1.00 50.23 H new ATOM 0 HG1 THR A 64 5.112 -41.604 -3.172 1.00 30.31 H new ATOM 0 HG21 THR A 64 5.632 -42.268 -0.935 1.00 51.44 H new ATOM 0 HG22 THR A 64 5.976 -40.973 0.237 1.00 51.44 H new ATOM 0 HG23 THR A 64 4.318 -41.215 -0.362 1.00 51.44 H new ATOM 971 N ASP A 65 5.671 -38.506 0.992 1.00 40.42 N ATOM 972 CA ASP A 65 6.418 -38.220 2.221 1.00 24.01 C ATOM 973 C ASP A 65 6.680 -36.720 2.391 1.00 55.12 C ATOM 974 O ASP A 65 7.516 -36.137 1.699 1.00 53.31 O ATOM 975 CB ASP A 65 7.737 -39.008 2.253 1.00 53.54 C ATOM 976 CG ASP A 65 8.525 -38.787 3.531 1.00 25.00 C ATOM 977 OD1 ASP A 65 8.058 -39.225 4.604 1.00 73.45 O ATOM 978 OD2 ASP A 65 9.632 -38.206 3.467 1.00 23.21 O ATOM 0 H ASP A 65 4.713 -38.814 1.159 1.00 40.42 H new ATOM 0 HA ASP A 65 5.801 -38.542 3.060 1.00 24.01 H new ATOM 0 HB2 ASP A 65 7.522 -40.071 2.144 1.00 53.54 H new ATOM 0 HB3 ASP A 65 8.349 -38.717 1.399 1.00 53.54 H new ATOM 983 N ILE A 66 5.949 -36.105 3.320 1.00 10.53 N ATOM 984 CA ILE A 66 6.081 -34.677 3.617 1.00 43.50 C ATOM 985 C ILE A 66 6.344 -34.498 5.116 1.00 44.02 C ATOM 986 O ILE A 66 5.834 -35.276 5.926 1.00 1.50 O ATOM 987 CB ILE A 66 4.800 -33.894 3.206 1.00 55.33 C ATOM 988 CG1 ILE A 66 4.392 -34.248 1.764 1.00 3.24 C ATOM 989 CG2 ILE A 66 5.022 -32.387 3.340 1.00 4.12 C ATOM 990 CD1 ILE A 66 3.118 -33.570 1.300 1.00 50.03 C ATOM 0 H ILE A 66 5.249 -36.581 3.888 1.00 10.53 H new ATOM 0 HA ILE A 66 6.916 -34.277 3.041 1.00 43.50 H new ATOM 0 HB ILE A 66 3.992 -34.184 3.878 1.00 55.33 H new ATOM 0 HG12 ILE A 66 5.204 -33.974 1.090 1.00 3.24 H new ATOM 0 HG13 ILE A 66 4.265 -35.328 1.688 1.00 3.24 H new ATOM 0 HG21 ILE A 66 4.115 -31.858 3.048 1.00 4.12 H new ATOM 0 HG22 ILE A 66 5.266 -32.146 4.375 1.00 4.12 H new ATOM 0 HG23 ILE A 66 5.844 -32.081 2.693 1.00 4.12 H new ATOM 0 HD11 ILE A 66 2.898 -33.870 0.275 1.00 50.03 H new ATOM 0 HD12 ILE A 66 2.293 -33.863 1.949 1.00 50.03 H new ATOM 0 HD13 ILE A 66 3.246 -32.488 1.342 1.00 50.03 H new ATOM 1002 N ARG A 67 7.128 -33.479 5.484 1.00 43.45 N ATOM 1003 CA ARG A 67 7.571 -33.307 6.873 1.00 13.13 C ATOM 1004 C ARG A 67 6.391 -33.018 7.820 1.00 1.21 C ATOM 1005 O ARG A 67 6.159 -33.784 8.758 1.00 12.22 O ATOM 1006 CB ARG A 67 8.639 -32.200 6.982 1.00 43.33 C ATOM 1007 CG ARG A 67 9.375 -32.174 8.320 1.00 74.24 C ATOM 1008 CD ARG A 67 10.327 -33.359 8.455 1.00 40.03 C ATOM 1009 NE ARG A 67 11.392 -33.313 7.447 1.00 51.24 N ATOM 1010 CZ ARG A 67 11.983 -34.387 6.919 1.00 52.53 C ATOM 1011 NH1 ARG A 67 11.613 -35.606 7.281 1.00 23.02 N ATOM 1012 NH2 ARG A 67 12.943 -34.233 6.019 1.00 54.53 N ATOM 0 H ARG A 67 7.468 -32.763 4.842 1.00 43.45 H new ATOM 0 HA ARG A 67 8.020 -34.250 7.185 1.00 13.13 H new ATOM 0 HB2 ARG A 67 9.367 -32.332 6.182 1.00 43.33 H new ATOM 0 HB3 ARG A 67 8.162 -31.233 6.823 1.00 43.33 H new ATOM 0 HG2 ARG A 67 9.935 -31.243 8.411 1.00 74.24 H new ATOM 0 HG3 ARG A 67 8.652 -32.192 9.135 1.00 74.24 H new ATOM 0 HD2 ARG A 67 10.768 -33.360 9.452 1.00 40.03 H new ATOM 0 HD3 ARG A 67 9.768 -34.289 8.353 1.00 40.03 H new ATOM 0 HE ARG A 67 11.703 -32.396 7.127 1.00 51.24 H new ATOM 0 HH11 ARG A 67 10.870 -35.730 7.969 1.00 23.02 H new ATOM 0 HH12 ARG A 67 12.071 -36.421 6.872 1.00 23.02 H new ATOM 0 HH21 ARG A 67 13.228 -33.296 5.732 1.00 54.53 H new ATOM 0 HH22 ARG A 67 13.397 -35.051 5.613 1.00 54.53 H new ATOM 1026 N PRO A 68 5.621 -31.918 7.608 1.00 23.24 N ATOM 1027 CA PRO A 68 4.494 -31.578 8.487 1.00 52.12 C ATOM 1028 C PRO A 68 3.255 -32.424 8.189 1.00 32.14 C ATOM 1029 O PRO A 68 3.281 -33.294 7.317 1.00 54.14 O ATOM 1030 CB PRO A 68 4.240 -30.100 8.165 1.00 22.20 C ATOM 1031 CG PRO A 68 4.619 -29.970 6.731 1.00 33.01 C ATOM 1032 CD PRO A 68 5.768 -30.927 6.516 1.00 50.32 C ATOM 0 HA PRO A 68 4.713 -31.766 9.538 1.00 52.12 H new ATOM 0 HB2 PRO A 68 3.196 -29.830 8.327 1.00 22.20 H new ATOM 0 HB3 PRO A 68 4.840 -29.446 8.797 1.00 22.20 H new ATOM 0 HG2 PRO A 68 3.779 -30.216 6.081 1.00 33.01 H new ATOM 0 HG3 PRO A 68 4.914 -28.947 6.496 1.00 33.01 H new ATOM 0 HD2 PRO A 68 5.713 -31.402 5.536 1.00 50.32 H new ATOM 0 HD3 PRO A 68 6.729 -30.415 6.569 1.00 50.32 H new ATOM 1040 N LYS A 69 2.169 -32.153 8.907 1.00 33.43 N ATOM 1041 CA LYS A 69 0.917 -32.891 8.731 1.00 33.10 C ATOM 1042 C LYS A 69 0.023 -32.178 7.711 1.00 23.31 C ATOM 1043 O LYS A 69 -1.177 -32.449 7.616 1.00 52.50 O ATOM 1044 CB LYS A 69 0.189 -33.015 10.081 1.00 52.20 C ATOM 1045 CG LYS A 69 1.074 -33.501 11.229 1.00 34.14 C ATOM 1046 CD LYS A 69 1.717 -34.866 10.961 1.00 43.14 C ATOM 1047 CE LYS A 69 0.721 -36.022 11.043 1.00 61.40 C ATOM 1048 NZ LYS A 69 -0.260 -36.024 9.924 1.00 11.42 N ATOM 0 H LYS A 69 2.129 -31.425 9.620 1.00 33.43 H new ATOM 0 HA LYS A 69 1.143 -33.890 8.358 1.00 33.10 H new ATOM 0 HB2 LYS A 69 -0.229 -32.044 10.346 1.00 52.20 H new ATOM 0 HB3 LYS A 69 -0.649 -33.703 9.967 1.00 52.20 H new ATOM 0 HG2 LYS A 69 1.859 -32.766 11.410 1.00 34.14 H new ATOM 0 HG3 LYS A 69 0.477 -33.560 12.139 1.00 34.14 H new ATOM 0 HD2 LYS A 69 2.175 -34.858 9.972 1.00 43.14 H new ATOM 0 HD3 LYS A 69 2.518 -35.032 11.682 1.00 43.14 H new ATOM 0 HE2 LYS A 69 1.267 -36.965 11.042 1.00 61.40 H new ATOM 0 HE3 LYS A 69 0.184 -35.965 11.990 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 -0.473 -37.005 9.650 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 -1.135 -35.552 10.229 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 0.141 -35.517 9.110 1.00 11.42 H new ATOM 1062 N SER A 70 0.626 -31.274 6.944 1.00 2.31 N ATOM 1063 CA SER A 70 -0.098 -30.454 5.984 1.00 33.04 C ATOM 1064 C SER A 70 -0.525 -31.274 4.763 1.00 22.05 C ATOM 1065 O SER A 70 0.307 -31.671 3.943 1.00 32.33 O ATOM 1066 CB SER A 70 0.790 -29.284 5.553 1.00 21.44 C ATOM 1067 OG SER A 70 1.372 -28.655 6.685 1.00 12.21 O ATOM 0 H SER A 70 1.629 -31.091 6.972 1.00 2.31 H new ATOM 0 HA SER A 70 -1.003 -30.075 6.459 1.00 33.04 H new ATOM 0 HB2 SER A 70 1.574 -29.642 4.886 1.00 21.44 H new ATOM 0 HB3 SER A 70 0.200 -28.560 4.991 1.00 21.44 H new ATOM 0 HG SER A 70 1.938 -27.911 6.391 1.00 12.21 H new ATOM 1073 N LEU A 71 -1.826 -31.534 4.655 1.00 31.13 N ATOM 1074 CA LEU A 71 -2.383 -32.258 3.515 1.00 15.23 C ATOM 1075 C LEU A 71 -3.223 -31.315 2.651 1.00 23.01 C ATOM 1076 O LEU A 71 -3.940 -30.454 3.173 1.00 0.43 O ATOM 1077 CB LEU A 71 -3.238 -33.444 3.994 1.00 13.44 C ATOM 1078 CG LEU A 71 -2.489 -34.511 4.814 1.00 41.44 C ATOM 1079 CD1 LEU A 71 -3.446 -35.617 5.267 1.00 51.23 C ATOM 1080 CD2 LEU A 71 -1.329 -35.092 4.005 1.00 31.11 C ATOM 0 H LEU A 71 -2.518 -31.252 5.349 1.00 31.13 H new ATOM 0 HA LEU A 71 -1.560 -32.646 2.915 1.00 15.23 H new ATOM 0 HB2 LEU A 71 -4.059 -33.057 4.597 1.00 13.44 H new ATOM 0 HB3 LEU A 71 -3.682 -33.925 3.122 1.00 13.44 H new ATOM 0 HG LEU A 71 -2.079 -34.035 5.705 1.00 41.44 H new ATOM 0 HD11 LEU A 71 -2.896 -36.360 5.845 1.00 51.23 H new ATOM 0 HD12 LEU A 71 -4.233 -35.186 5.886 1.00 51.23 H new ATOM 0 HD13 LEU A 71 -3.891 -36.093 4.393 1.00 51.23 H new ATOM 0 HD21 LEU A 71 -0.811 -35.844 4.600 1.00 31.11 H new ATOM 0 HD22 LEU A 71 -1.714 -35.552 3.095 1.00 31.11 H new ATOM 0 HD23 LEU A 71 -0.633 -34.295 3.743 1.00 31.11 H new ATOM 1092 N ARG A 72 -3.125 -31.479 1.333 1.00 14.22 N ATOM 1093 CA ARG A 72 -3.849 -30.636 0.379 1.00 4.30 C ATOM 1094 C ARG A 72 -4.774 -31.489 -0.487 1.00 30.11 C ATOM 1095 O ARG A 72 -4.364 -32.534 -0.997 1.00 10.34 O ATOM 1096 CB ARG A 72 -2.858 -29.857 -0.507 1.00 53.44 C ATOM 1097 CG ARG A 72 -3.513 -29.116 -1.676 1.00 5.31 C ATOM 1098 CD ARG A 72 -2.491 -28.354 -2.513 1.00 1.01 C ATOM 1099 NE ARG A 72 -3.086 -27.789 -3.730 1.00 45.33 N ATOM 1100 CZ ARG A 72 -2.423 -27.046 -4.619 1.00 12.43 C ATOM 1101 NH1 ARG A 72 -1.153 -26.714 -4.405 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -3.037 -26.626 -5.718 1.00 3.22 N ATOM 0 H ARG A 72 -2.545 -32.196 0.896 1.00 14.22 H new ATOM 0 HA ARG A 72 -4.454 -29.921 0.937 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -2.323 -29.137 0.112 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -2.116 -30.552 -0.901 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -4.040 -29.830 -2.309 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -4.259 -28.420 -1.292 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -2.059 -27.552 -1.915 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -1.675 -29.023 -2.786 1.00 1.01 H new ATOM 0 HE ARG A 72 -4.073 -27.977 -3.908 1.00 45.33 H new ATOM 0 HH11 ARG A 72 -0.680 -27.027 -3.557 1.00 54.12 H new ATOM 0 HH12 ARG A 72 -0.652 -26.146 -5.088 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -4.013 -26.871 -5.882 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -2.532 -26.058 -6.399 1.00 3.22 H new ATOM 1116 N GLU A 73 -6.017 -31.038 -0.640 1.00 64.25 N ATOM 1117 CA GLU A 73 -6.990 -31.716 -1.491 1.00 44.44 C ATOM 1118 C GLU A 73 -6.533 -31.664 -2.946 1.00 24.34 C ATOM 1119 O GLU A 73 -6.377 -30.580 -3.522 1.00 70.21 O ATOM 1120 CB GLU A 73 -8.377 -31.065 -1.341 1.00 2.40 C ATOM 1121 CG GLU A 73 -9.430 -31.601 -2.310 1.00 2.13 C ATOM 1122 CD GLU A 73 -10.806 -30.975 -2.106 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -10.923 -29.732 -2.198 1.00 61.01 O ATOM 1124 OE2 GLU A 73 -11.780 -31.718 -1.867 1.00 3.40 O ATOM 0 H GLU A 73 -6.375 -30.200 -0.182 1.00 64.25 H new ATOM 0 HA GLU A 73 -7.064 -32.759 -1.182 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -8.728 -31.217 -0.320 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -8.279 -29.989 -1.488 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -9.101 -31.416 -3.333 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -9.508 -32.682 -2.191 1.00 2.13 H new ATOM 1131 N LYS A 74 -6.308 -32.833 -3.534 1.00 70.24 N ATOM 1132 CA LYS A 74 -5.866 -32.922 -4.918 1.00 22.11 C ATOM 1133 C LYS A 74 -7.079 -32.781 -5.840 1.00 62.44 C ATOM 1134 O LYS A 74 -7.588 -33.764 -6.382 1.00 64.25 O ATOM 1135 CB LYS A 74 -5.104 -34.249 -5.168 1.00 3.23 C ATOM 1136 CG LYS A 74 -4.134 -34.217 -6.362 1.00 3.54 C ATOM 1137 CD LYS A 74 -4.845 -34.311 -7.715 1.00 75.42 C ATOM 1138 CE LYS A 74 -5.483 -35.680 -7.936 1.00 24.23 C ATOM 1139 NZ LYS A 74 -4.468 -36.768 -7.954 1.00 24.03 N ATOM 0 H LYS A 74 -6.425 -33.734 -3.071 1.00 70.24 H new ATOM 0 HA LYS A 74 -5.169 -32.112 -5.134 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -4.544 -34.506 -4.269 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -5.831 -35.045 -5.329 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -3.553 -33.295 -6.326 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -3.428 -35.042 -6.271 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -5.613 -33.540 -7.774 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -4.131 -34.111 -8.514 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -6.209 -35.874 -7.147 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -6.030 -35.678 -8.879 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -4.891 -37.631 -8.352 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -3.658 -36.478 -8.538 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -4.145 -36.957 -6.984 1.00 24.03 H new ATOM 1153 N LEU A 75 -7.568 -31.550 -5.954 1.00 35.34 N ATOM 1154 CA LEU A 75 -8.705 -31.238 -6.812 1.00 23.12 C ATOM 1155 C LEU A 75 -8.203 -30.986 -8.234 1.00 31.02 C ATOM 1156 O LEU A 75 -8.445 -31.780 -9.143 1.00 35.24 O ATOM 1157 CB LEU A 75 -9.454 -30.006 -6.254 1.00 12.51 C ATOM 1158 CG LEU A 75 -10.888 -29.768 -6.777 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -10.901 -29.353 -8.249 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -11.751 -31.011 -6.555 1.00 72.41 C ATOM 0 H LEU A 75 -7.189 -30.744 -5.456 1.00 35.34 H new ATOM 0 HA LEU A 75 -9.403 -32.075 -6.834 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -9.499 -30.098 -5.169 1.00 12.51 H new ATOM 0 HB3 LEU A 75 -8.860 -29.119 -6.474 1.00 12.51 H new ATOM 0 HG LEU A 75 -11.311 -28.941 -6.207 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -11.930 -29.196 -8.574 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -10.337 -28.428 -8.371 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -10.445 -30.138 -8.852 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -12.758 -30.826 -6.929 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -11.315 -31.856 -7.088 1.00 72.41 H new ATOM 0 HD23 LEU A 75 -11.796 -31.238 -5.490 1.00 72.41 H new ATOM 1172 N ALA A 76 -7.493 -29.876 -8.410 1.00 23.23 N ATOM 1173 CA ALA A 76 -6.900 -29.532 -9.694 1.00 45.32 C ATOM 1174 C ALA A 76 -5.616 -30.329 -9.908 1.00 65.42 C ATOM 1175 O ALA A 76 -4.769 -30.402 -9.016 1.00 13.14 O ATOM 1176 CB ALA A 76 -6.621 -28.034 -9.762 1.00 72.54 C ATOM 0 H ALA A 76 -7.314 -29.195 -7.672 1.00 23.23 H new ATOM 0 HA ALA A 76 -7.602 -29.787 -10.488 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -6.178 -27.790 -10.727 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -7.555 -27.484 -9.642 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -5.931 -27.756 -8.965 1.00 72.54 H new ATOM 1182 N SER A 77 -5.491 -30.944 -11.076 1.00 75.32 N ATOM 1183 CA SER A 77 -4.307 -31.723 -11.415 1.00 12.25 C ATOM 1184 C SER A 77 -3.145 -30.801 -11.787 1.00 32.34 C ATOM 1185 O SER A 77 -2.219 -30.596 -10.997 1.00 31.55 O ATOM 1186 CB SER A 77 -4.635 -32.682 -12.567 1.00 55.35 C ATOM 1187 OG SER A 77 -5.262 -31.989 -13.637 1.00 45.41 O ATOM 0 H SER A 77 -6.200 -30.918 -11.809 1.00 75.32 H new ATOM 0 HA SER A 77 -4.003 -32.307 -10.547 1.00 12.25 H new ATOM 0 HB2 SER A 77 -3.721 -33.157 -12.922 1.00 55.35 H new ATOM 0 HB3 SER A 77 -5.290 -33.477 -12.209 1.00 55.35 H new ATOM 0 HG SER A 77 -5.461 -32.618 -14.362 1.00 45.41 H new ATOM 1193 N GLY A 78 -3.218 -30.225 -12.985 1.00 44.34 N ATOM 1194 CA GLY A 78 -2.170 -29.337 -13.463 1.00 72.14 C ATOM 1195 C GLY A 78 -2.295 -29.077 -14.951 1.00 74.32 C ATOM 1196 O GLY A 78 -1.601 -29.701 -15.757 1.00 34.32 O ATOM 0 H GLY A 78 -3.990 -30.359 -13.638 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -2.219 -28.392 -12.923 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -1.195 -29.776 -13.250 1.00 72.14 H new ATOM 1200 N GLN A 79 -3.199 -28.170 -15.311 1.00 65.34 N ATOM 1201 CA GLN A 79 -3.456 -27.833 -16.708 1.00 64.55 C ATOM 1202 C GLN A 79 -4.325 -26.583 -16.799 1.00 10.44 C ATOM 1203 O GLN A 79 -4.876 -26.126 -15.792 1.00 4.52 O ATOM 1204 CB GLN A 79 -4.142 -29.007 -17.423 1.00 32.42 C ATOM 1205 CG GLN A 79 -5.468 -29.427 -16.794 1.00 42.23 C ATOM 1206 CD GLN A 79 -6.124 -30.576 -17.538 1.00 52.43 C ATOM 1207 OE1 GLN A 79 -5.889 -31.746 -17.232 1.00 31.31 O ATOM 1208 NE2 GLN A 79 -6.944 -30.255 -18.525 1.00 13.30 N ATOM 0 H GLN A 79 -3.772 -27.650 -14.646 1.00 65.34 H new ATOM 0 HA GLN A 79 -2.503 -27.634 -17.198 1.00 64.55 H new ATOM 0 HB2 GLN A 79 -4.316 -28.734 -18.464 1.00 32.42 H new ATOM 0 HB3 GLN A 79 -3.466 -29.862 -17.426 1.00 32.42 H new ATOM 0 HG2 GLN A 79 -5.299 -29.719 -15.757 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -6.146 -28.574 -16.779 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -7.114 -29.274 -18.749 1.00 13.30 H new ATOM 0 HE22 GLN A 79 -7.407 -30.988 -19.062 1.00 13.30 H new ATOM 1217 N GLY A 80 -4.452 -26.042 -18.004 1.00 4.32 N ATOM 1218 CA GLY A 80 -5.252 -24.853 -18.217 1.00 64.22 C ATOM 1219 C GLY A 80 -5.719 -24.745 -19.656 1.00 51.02 C ATOM 1220 O GLY A 80 -6.825 -25.235 -19.965 1.00 40.05 O ATOM 1221 OXT GLY A 80 -4.964 -24.206 -20.489 1.00 0.00 O ATOM 0 H GLY A 80 -4.010 -26.411 -18.846 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -6.117 -24.872 -17.554 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -4.669 -23.970 -17.956 1.00 64.22 H new TER 1225 GLY A 80