USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 32 TYR OH : rot -58:sc= 0.18 USER MOD Set 1.2: A 65 HIS :FLIP no HD1:sc= 0.264 F(o=-4.4!,f=0.44) USER MOD Set 2.1: A 6 SER OG : rot -92:sc= -2.19! USER MOD Set 2.2: A 48 MET CE :methyl 142:sc= -16.2! (180deg=-15.8!) USER MOD Single : A 1 MET CE :methyl 157:sc= -1.6 (180deg=-3.13) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.574 (180deg=-0.699) USER MOD Single : A 2 THR OG1 : rot 96:sc= 0.39 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.0534 USER MOD Single : A 10 THR OG1 : rot 101:sc= -0.755! USER MOD Single : A 11 ASN : amide:sc= -2.69! C(o=-2.7!,f=-6.2!) USER MOD Single : A 20 TYR OH : rot 172:sc= 0.205! USER MOD Single : A 25 GLN : amide:sc= 0.591 K(o=0.59,f=-5.3!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -178:sc= 0.0984 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -7.42! C(o=-7.4!,f=-19!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.0652 (180deg=-0.485) USER MOD Single : A 62 ASN : amide:sc= 0.204! X(o=0.2!,f=-0.036) USER MOD Single : A 64 SER OG : rot 180:sc= -0.214 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.887 -1.157 0.080 1.00 0.00 N ATOM 2 CA MET A 1 2.967 -1.741 -0.936 1.00 0.00 C ATOM 3 C MET A 1 3.586 -3.004 -1.517 1.00 0.00 C ATOM 4 O MET A 1 4.656 -2.966 -2.123 1.00 0.00 O ATOM 5 CB MET A 1 2.719 -0.720 -2.048 1.00 0.00 C ATOM 6 CG MET A 1 2.023 0.511 -1.466 1.00 0.00 C ATOM 7 SD MET A 1 0.433 0.022 -0.752 1.00 0.00 S ATOM 8 CE MET A 1 0.969 -0.050 0.975 1.00 0.00 C ATOM 0 H1 MET A 1 3.396 -1.088 0.994 1.00 0.00 H new ATOM 0 H2 MET A 1 4.724 -1.766 0.181 1.00 0.00 H new ATOM 0 H3 MET A 1 4.184 -0.208 -0.225 1.00 0.00 H new ATOM 0 HA MET A 1 2.017 -1.994 -0.466 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.664 -0.432 -2.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.104 -1.162 -2.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.651 0.970 -0.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.870 1.258 -2.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.105 0.069 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.441 -1.013 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.684 0.750 1.168 1.00 0.00 H new ATOM 16 N THR A 2 2.897 -4.119 -1.326 1.00 0.00 N ATOM 17 CA THR A 2 3.369 -5.399 -1.829 1.00 0.00 C ATOM 18 C THR A 2 3.037 -5.553 -3.305 1.00 0.00 C ATOM 19 O THR A 2 2.080 -4.965 -3.804 1.00 0.00 O ATOM 20 CB THR A 2 2.722 -6.536 -1.042 1.00 0.00 C ATOM 21 OG1 THR A 2 1.311 -6.474 -1.197 1.00 0.00 O ATOM 22 CG2 THR A 2 3.084 -6.410 0.435 1.00 0.00 C ATOM 0 H THR A 2 2.009 -4.163 -0.826 1.00 0.00 H new ATOM 0 HA THR A 2 4.451 -5.437 -1.707 1.00 0.00 H new ATOM 0 HB THR A 2 3.086 -7.492 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.034 -7.077 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.621 -7.223 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.167 -6.462 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.724 -5.455 0.818 1.00 0.00 H new ATOM 30 N THR A 3 3.838 -6.353 -3.995 1.00 0.00 N ATOM 31 CA THR A 3 3.622 -6.584 -5.414 1.00 0.00 C ATOM 32 C THR A 3 3.376 -8.063 -5.659 1.00 0.00 C ATOM 33 O THR A 3 3.945 -8.910 -4.974 1.00 0.00 O ATOM 34 CB THR A 3 4.857 -6.142 -6.196 1.00 0.00 C ATOM 35 OG1 THR A 3 5.932 -7.029 -5.916 1.00 0.00 O ATOM 36 CG2 THR A 3 5.250 -4.730 -5.769 1.00 0.00 C ATOM 0 H THR A 3 4.636 -6.849 -3.598 1.00 0.00 H new ATOM 0 HA THR A 3 2.755 -6.012 -5.744 1.00 0.00 H new ATOM 0 HB THR A 3 4.636 -6.154 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.726 -6.749 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.131 -4.413 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.426 -4.046 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.473 -4.721 -4.702 1.00 0.00 H new ATOM 44 N PHE A 4 2.524 -8.370 -6.626 1.00 0.00 N ATOM 45 CA PHE A 4 2.211 -9.755 -6.935 1.00 0.00 C ATOM 46 C PHE A 4 2.613 -10.077 -8.372 1.00 0.00 C ATOM 47 O PHE A 4 2.410 -9.266 -9.276 1.00 0.00 O ATOM 48 CB PHE A 4 0.710 -9.984 -6.753 1.00 0.00 C ATOM 49 CG PHE A 4 0.333 -9.773 -5.302 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.307 -10.858 -4.419 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.009 -8.489 -4.839 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.041 -10.664 -3.077 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.338 -8.296 -3.498 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.364 -9.382 -2.617 1.00 0.00 C ATOM 0 H PHE A 4 2.041 -7.684 -7.206 1.00 0.00 H new ATOM 0 HA PHE A 4 2.766 -10.409 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.148 -9.299 -7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.446 -10.995 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.556 -11.847 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.028 -7.649 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.060 -11.503 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.586 -7.307 -3.142 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.633 -9.231 -1.582 1.00 0.00 H new ATOM 64 N THR A 5 3.189 -11.258 -8.576 1.00 0.00 N ATOM 65 CA THR A 5 3.619 -11.653 -9.913 1.00 0.00 C ATOM 66 C THR A 5 3.256 -13.100 -10.203 1.00 0.00 C ATOM 67 O THR A 5 3.216 -13.940 -9.303 1.00 0.00 O ATOM 68 CB THR A 5 5.131 -11.484 -10.048 1.00 0.00 C ATOM 69 OG1 THR A 5 5.519 -11.768 -11.386 1.00 0.00 O ATOM 70 CG2 THR A 5 5.842 -12.446 -9.094 1.00 0.00 C ATOM 0 H THR A 5 3.367 -11.948 -7.846 1.00 0.00 H new ATOM 0 HA THR A 5 3.106 -11.011 -10.629 1.00 0.00 H new ATOM 0 HB THR A 5 5.406 -10.459 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.489 -11.659 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.921 -12.324 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.544 -12.228 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.569 -13.472 -9.341 1.00 0.00 H new ATOM 78 N SER A 6 2.997 -13.380 -11.473 1.00 0.00 N ATOM 79 CA SER A 6 2.644 -14.728 -11.885 1.00 0.00 C ATOM 80 C SER A 6 3.296 -15.088 -13.216 1.00 0.00 C ATOM 81 O SER A 6 3.570 -14.217 -14.044 1.00 0.00 O ATOM 82 CB SER A 6 1.126 -14.862 -11.991 1.00 0.00 C ATOM 83 OG SER A 6 0.555 -14.682 -10.702 1.00 0.00 O ATOM 0 H SER A 6 3.025 -12.696 -12.229 1.00 0.00 H new ATOM 0 HA SER A 6 3.015 -15.421 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.730 -14.121 -12.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.861 -15.843 -12.387 1.00 0.00 H new ATOM 0 HG SER A 6 0.470 -15.551 -10.258 1.00 0.00 H new ATOM 89 N ILE A 7 3.521 -16.382 -13.417 1.00 0.00 N ATOM 90 CA ILE A 7 4.121 -16.885 -14.647 1.00 0.00 C ATOM 91 C ILE A 7 3.405 -18.172 -15.041 1.00 0.00 C ATOM 92 O ILE A 7 2.946 -18.906 -14.167 1.00 0.00 O ATOM 93 CB ILE A 7 5.612 -17.157 -14.437 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.317 -15.851 -14.063 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.220 -17.709 -15.727 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.746 -16.153 -13.611 1.00 0.00 C ATOM 0 H ILE A 7 3.294 -17.107 -12.737 1.00 0.00 H new ATOM 0 HA ILE A 7 4.019 -16.143 -15.439 1.00 0.00 H new ATOM 0 HB ILE A 7 5.738 -17.886 -13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.330 -15.175 -14.918 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.771 -15.346 -13.266 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.282 -17.902 -15.575 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.718 -18.638 -15.998 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.094 -16.981 -16.529 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.248 -15.223 -13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.722 -16.813 -12.744 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.289 -16.639 -14.422 1.00 0.00 H new ATOM 108 N VAL A 8 3.291 -18.457 -16.334 1.00 0.00 N ATOM 109 CA VAL A 8 2.604 -19.673 -16.746 1.00 0.00 C ATOM 110 C VAL A 8 3.519 -20.884 -16.593 1.00 0.00 C ATOM 111 O VAL A 8 4.415 -21.117 -17.405 1.00 0.00 O ATOM 112 CB VAL A 8 2.157 -19.552 -18.203 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.484 -20.855 -18.643 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.164 -18.396 -18.337 1.00 0.00 C ATOM 0 H VAL A 8 3.654 -17.881 -17.094 1.00 0.00 H new ATOM 0 HA VAL A 8 1.731 -19.808 -16.108 1.00 0.00 H new ATOM 0 HB VAL A 8 3.026 -19.362 -18.834 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.166 -20.767 -19.682 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.191 -21.680 -18.548 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.616 -21.047 -18.013 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.845 -18.309 -19.376 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.296 -18.587 -17.705 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.642 -17.467 -18.026 1.00 0.00 H new ATOM 124 N THR A 9 3.266 -21.652 -15.543 1.00 0.00 N ATOM 125 CA THR A 9 4.032 -22.857 -15.254 1.00 0.00 C ATOM 126 C THR A 9 3.161 -23.833 -14.478 1.00 0.00 C ATOM 127 O THR A 9 2.366 -23.408 -13.640 1.00 0.00 O ATOM 128 CB THR A 9 5.267 -22.508 -14.425 1.00 0.00 C ATOM 129 OG1 THR A 9 6.389 -22.355 -15.283 1.00 0.00 O ATOM 130 CG2 THR A 9 5.529 -23.623 -13.411 1.00 0.00 C ATOM 0 H THR A 9 2.526 -21.458 -14.868 1.00 0.00 H new ATOM 0 HA THR A 9 4.351 -23.311 -16.192 1.00 0.00 H new ATOM 0 HB THR A 9 5.099 -21.572 -13.892 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.101 -21.954 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.410 -23.376 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.666 -23.727 -12.753 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.698 -24.562 -13.938 1.00 0.00 H new ATOM 138 N THR A 10 3.302 -25.133 -14.719 1.00 0.00 N ATOM 139 CA THR A 10 2.484 -26.070 -13.964 1.00 0.00 C ATOM 140 C THR A 10 3.334 -27.059 -13.171 1.00 0.00 C ATOM 141 O THR A 10 3.713 -28.116 -13.675 1.00 0.00 O ATOM 142 CB THR A 10 1.591 -26.852 -14.930 1.00 0.00 C ATOM 143 OG1 THR A 10 1.398 -28.169 -14.433 1.00 0.00 O ATOM 144 CG2 THR A 10 2.260 -26.919 -16.304 1.00 0.00 C ATOM 0 H THR A 10 3.943 -25.545 -15.397 1.00 0.00 H new ATOM 0 HA THR A 10 1.885 -25.494 -13.259 1.00 0.00 H new ATOM 0 HB THR A 10 0.627 -26.351 -15.020 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.521 -28.230 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.624 -27.476 -16.992 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.410 -25.909 -16.685 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.224 -27.420 -16.215 1.00 0.00 H new ATOM 152 N ASN A 11 3.626 -26.698 -11.924 1.00 0.00 N ATOM 153 CA ASN A 11 4.428 -27.546 -11.050 1.00 0.00 C ATOM 154 C ASN A 11 3.813 -27.624 -9.661 1.00 0.00 C ATOM 155 O ASN A 11 4.344 -27.056 -8.708 1.00 0.00 O ATOM 156 CB ASN A 11 5.854 -26.997 -10.949 1.00 0.00 C ATOM 157 CG ASN A 11 6.502 -26.972 -12.328 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.880 -25.909 -12.820 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.656 -28.089 -12.987 1.00 0.00 N ATOM 0 H ASN A 11 3.319 -25.824 -11.497 1.00 0.00 H new ATOM 0 HA ASN A 11 4.454 -28.548 -11.478 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.836 -25.992 -10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.444 -27.616 -10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.090 -28.081 -13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.342 -28.969 -12.579 1.00 0.00 H new ATOM 166 N PRO A 12 2.715 -28.308 -9.528 1.00 0.00 N ATOM 167 CA PRO A 12 2.026 -28.451 -8.216 1.00 0.00 C ATOM 168 C PRO A 12 2.909 -29.161 -7.195 1.00 0.00 C ATOM 169 O PRO A 12 3.221 -30.343 -7.338 1.00 0.00 O ATOM 170 CB PRO A 12 0.779 -29.282 -8.539 1.00 0.00 C ATOM 171 CG PRO A 12 1.071 -29.951 -9.842 1.00 0.00 C ATOM 172 CD PRO A 12 2.010 -29.020 -10.601 1.00 0.00 C ATOM 0 HA PRO A 12 1.785 -27.487 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.583 -30.015 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.106 -28.650 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.534 -30.925 -9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.154 -30.122 -10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.700 -29.575 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.462 -28.334 -11.247 1.00 0.00 H new ATOM 180 N ASP A 13 3.307 -28.423 -6.167 1.00 0.00 N ATOM 181 CA ASP A 13 4.159 -28.972 -5.120 1.00 0.00 C ATOM 182 C ASP A 13 3.592 -28.642 -3.741 1.00 0.00 C ATOM 183 O ASP A 13 3.117 -27.531 -3.506 1.00 0.00 O ATOM 184 CB ASP A 13 5.571 -28.399 -5.244 1.00 0.00 C ATOM 185 CG ASP A 13 6.522 -29.143 -4.313 1.00 0.00 C ATOM 186 OD1 ASP A 13 7.717 -28.920 -4.418 1.00 0.00 O ATOM 187 OD2 ASP A 13 6.042 -29.927 -3.513 1.00 0.00 O ATOM 0 H ASP A 13 3.054 -27.444 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 13 4.195 -30.055 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.917 -28.484 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.564 -27.337 -4.997 1.00 0.00 H new ATOM 192 N PHE A 14 3.649 -29.610 -2.832 1.00 0.00 N ATOM 193 CA PHE A 14 3.141 -29.402 -1.479 1.00 0.00 C ATOM 194 C PHE A 14 4.290 -29.191 -0.496 1.00 0.00 C ATOM 195 O PHE A 14 4.068 -28.918 0.683 1.00 0.00 O ATOM 196 CB PHE A 14 2.309 -30.609 -1.043 1.00 0.00 C ATOM 197 CG PHE A 14 1.115 -30.753 -1.956 1.00 0.00 C ATOM 198 CD1 PHE A 14 -0.060 -30.041 -1.688 1.00 0.00 C ATOM 199 CD2 PHE A 14 1.184 -31.599 -3.070 1.00 0.00 C ATOM 200 CE1 PHE A 14 -1.167 -30.174 -2.535 1.00 0.00 C ATOM 201 CE2 PHE A 14 0.076 -31.731 -3.917 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.100 -31.018 -3.649 1.00 0.00 C ATOM 0 H PHE A 14 4.037 -30.537 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 14 2.515 -28.510 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.916 -31.514 -1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.979 -30.483 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.113 -29.389 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.090 -32.149 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.074 -29.625 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.128 -32.383 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.954 -31.120 -4.302 1.00 0.00 H new ATOM 212 N GLY A 15 5.516 -29.336 -0.986 1.00 0.00 N ATOM 213 CA GLY A 15 6.696 -29.178 -0.141 1.00 0.00 C ATOM 214 C GLY A 15 6.767 -27.783 0.472 1.00 0.00 C ATOM 215 O GLY A 15 7.137 -27.630 1.635 1.00 0.00 O ATOM 0 H GLY A 15 5.719 -29.562 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.678 -29.924 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.594 -29.363 -0.731 1.00 0.00 H new ATOM 219 N GLY A 16 6.412 -26.770 -0.310 1.00 0.00 N ATOM 220 CA GLY A 16 6.446 -25.398 0.184 1.00 0.00 C ATOM 221 C GLY A 16 5.083 -24.734 0.030 1.00 0.00 C ATOM 222 O GLY A 16 4.126 -25.363 -0.423 1.00 0.00 O ATOM 0 H GLY A 16 6.101 -26.870 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.742 -25.392 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.197 -24.828 -0.363 1.00 0.00 H new ATOM 226 N PHE A 17 5.001 -23.463 0.404 1.00 0.00 N ATOM 227 CA PHE A 17 3.745 -22.734 0.295 1.00 0.00 C ATOM 228 C PHE A 17 3.621 -22.110 -1.090 1.00 0.00 C ATOM 229 O PHE A 17 4.406 -21.238 -1.464 1.00 0.00 O ATOM 230 CB PHE A 17 3.678 -21.641 1.363 1.00 0.00 C ATOM 231 CG PHE A 17 4.805 -20.657 1.157 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.046 -20.878 1.765 1.00 0.00 C ATOM 233 CD2 PHE A 17 4.607 -19.522 0.360 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.090 -19.964 1.576 1.00 0.00 C ATOM 235 CE2 PHE A 17 5.652 -18.609 0.171 1.00 0.00 C ATOM 236 CZ PHE A 17 6.893 -18.831 0.778 1.00 0.00 C ATOM 0 H PHE A 17 5.779 -22.922 0.781 1.00 0.00 H new ATOM 0 HA PHE A 17 2.921 -23.431 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.719 -21.126 1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.747 -22.085 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.198 -21.753 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.649 -19.351 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.047 -20.133 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.500 -17.734 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.699 -18.128 0.631 1.00 0.00 H new ATOM 246 N GLU A 18 2.623 -22.556 -1.842 1.00 0.00 N ATOM 247 CA GLU A 18 2.392 -22.031 -3.181 1.00 0.00 C ATOM 248 C GLU A 18 0.930 -22.204 -3.572 1.00 0.00 C ATOM 249 O GLU A 18 0.322 -23.236 -3.287 1.00 0.00 O ATOM 250 CB GLU A 18 3.283 -22.756 -4.190 1.00 0.00 C ATOM 251 CG GLU A 18 4.743 -22.358 -3.965 1.00 0.00 C ATOM 252 CD GLU A 18 5.654 -23.186 -4.865 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.824 -22.855 -4.955 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.167 -24.140 -5.451 1.00 0.00 O ATOM 0 H GLU A 18 1.963 -23.277 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 18 2.637 -20.969 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.169 -23.835 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.979 -22.504 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.876 -21.297 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.013 -22.511 -2.920 1.00 0.00 H new ATOM 261 N PHE A 19 0.368 -21.195 -4.228 1.00 0.00 N ATOM 262 CA PHE A 19 -1.025 -21.265 -4.651 1.00 0.00 C ATOM 263 C PHE A 19 -1.113 -21.243 -6.172 1.00 0.00 C ATOM 264 O PHE A 19 -0.558 -20.358 -6.823 1.00 0.00 O ATOM 265 CB PHE A 19 -1.806 -20.079 -4.082 1.00 0.00 C ATOM 266 CG PHE A 19 -3.259 -20.204 -4.475 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.120 -21.006 -3.714 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.746 -19.525 -5.598 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.466 -21.128 -4.077 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.093 -19.649 -5.961 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.953 -20.450 -5.200 1.00 0.00 C ATOM 0 H PHE A 19 0.848 -20.330 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.455 -22.195 -4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.712 -20.054 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.394 -19.143 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.745 -21.530 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.083 -18.906 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.129 -21.746 -3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.469 -19.126 -6.828 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.992 -20.545 -5.480 1.00 0.00 H new ATOM 281 N TYR A 20 -1.811 -22.222 -6.737 1.00 0.00 N ATOM 282 CA TYR A 20 -1.956 -22.294 -8.187 1.00 0.00 C ATOM 283 C TYR A 20 -3.429 -22.342 -8.575 1.00 0.00 C ATOM 284 O TYR A 20 -4.220 -23.054 -7.956 1.00 0.00 O ATOM 285 CB TYR A 20 -1.265 -23.551 -8.723 1.00 0.00 C ATOM 286 CG TYR A 20 0.201 -23.524 -8.367 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.086 -22.714 -9.091 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.679 -24.320 -7.320 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.447 -22.700 -8.764 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.038 -24.305 -6.993 1.00 0.00 C ATOM 291 CZ TYR A 20 2.924 -23.496 -7.715 1.00 0.00 C ATOM 292 OH TYR A 20 4.266 -23.481 -7.392 1.00 0.00 O ATOM 0 H TYR A 20 -2.280 -22.967 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.496 -21.405 -8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.734 -24.441 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.384 -23.608 -9.805 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.718 -22.101 -9.901 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.003 -24.947 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.130 -22.075 -9.321 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.405 -24.918 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 20 4.409 -23.986 -6.565 1.00 0.00 H new ATOM 302 N VAL A 21 -3.791 -21.587 -9.606 1.00 0.00 N ATOM 303 CA VAL A 21 -5.174 -21.565 -10.067 1.00 0.00 C ATOM 304 C VAL A 21 -5.348 -22.519 -11.240 1.00 0.00 C ATOM 305 O VAL A 21 -4.691 -22.377 -12.272 1.00 0.00 O ATOM 306 CB VAL A 21 -5.563 -20.151 -10.506 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.001 -20.159 -11.029 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.467 -19.197 -9.315 1.00 0.00 C ATOM 0 H VAL A 21 -3.155 -20.989 -10.133 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.818 -21.878 -9.245 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.886 -19.819 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.280 -19.153 -11.342 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.075 -20.837 -11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.674 -20.493 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.745 -18.191 -9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.143 -19.529 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.445 -19.189 -8.937 1.00 0.00 H new ATOM 318 N GLU A 22 -6.239 -23.491 -11.083 1.00 0.00 N ATOM 319 CA GLU A 22 -6.488 -24.454 -12.144 1.00 0.00 C ATOM 320 C GLU A 22 -7.198 -23.771 -13.305 1.00 0.00 C ATOM 321 O GLU A 22 -8.060 -22.917 -13.095 1.00 0.00 O ATOM 322 CB GLU A 22 -7.346 -25.607 -11.618 1.00 0.00 C ATOM 323 CG GLU A 22 -6.546 -26.411 -10.590 1.00 0.00 C ATOM 324 CD GLU A 22 -7.415 -27.514 -9.999 1.00 0.00 C ATOM 325 OE1 GLU A 22 -8.606 -27.512 -10.267 1.00 0.00 O ATOM 326 OE2 GLU A 22 -6.879 -28.346 -9.285 1.00 0.00 O ATOM 0 H GLU A 22 -6.795 -23.631 -10.239 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.534 -24.852 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.257 -25.218 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.652 -26.252 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.665 -26.845 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.191 -25.752 -9.797 1.00 0.00 H new ATOM 333 N ALA A 23 -6.827 -24.132 -14.528 1.00 0.00 N ATOM 334 CA ALA A 23 -7.443 -23.518 -15.696 1.00 0.00 C ATOM 335 C ALA A 23 -8.956 -23.513 -15.542 1.00 0.00 C ATOM 336 O ALA A 23 -9.570 -24.552 -15.295 1.00 0.00 O ATOM 337 CB ALA A 23 -7.055 -24.285 -16.961 1.00 0.00 C ATOM 0 H ALA A 23 -6.116 -24.834 -14.734 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.088 -22.491 -15.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.521 -23.817 -17.828 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.971 -24.268 -17.079 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.395 -25.317 -16.879 1.00 0.00 H new ATOM 343 N GLY A 24 -9.554 -22.335 -15.683 1.00 0.00 N ATOM 344 CA GLY A 24 -10.998 -22.206 -15.547 1.00 0.00 C ATOM 345 C GLY A 24 -11.407 -22.294 -14.080 1.00 0.00 C ATOM 346 O GLY A 24 -12.582 -22.486 -13.764 1.00 0.00 O ATOM 0 H GLY A 24 -9.065 -21.464 -15.890 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.325 -21.254 -15.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.494 -22.992 -16.117 1.00 0.00 H new ATOM 350 N GLN A 25 -10.429 -22.162 -13.187 1.00 0.00 N ATOM 351 CA GLN A 25 -10.697 -22.240 -11.756 1.00 0.00 C ATOM 352 C GLN A 25 -10.546 -20.869 -11.103 1.00 0.00 C ATOM 353 O GLN A 25 -9.577 -20.153 -11.354 1.00 0.00 O ATOM 354 CB GLN A 25 -9.732 -23.231 -11.102 1.00 0.00 C ATOM 355 CG GLN A 25 -10.311 -23.705 -9.767 1.00 0.00 C ATOM 356 CD GLN A 25 -9.276 -23.528 -8.661 1.00 0.00 C ATOM 357 OE1 GLN A 25 -8.115 -23.901 -8.831 1.00 0.00 O ATOM 358 NE2 GLN A 25 -9.629 -22.976 -7.534 1.00 0.00 N ATOM 0 H GLN A 25 -9.451 -22.002 -13.428 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.722 -22.581 -11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.567 -24.083 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.763 -22.759 -10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.211 -23.138 -9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.604 -24.752 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.592 -22.668 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.943 -22.852 -6.790 1.00 0.00 H new ATOM 367 N GLN A 26 -11.513 -20.512 -10.264 1.00 0.00 N ATOM 368 CA GLN A 26 -11.483 -19.226 -9.579 1.00 0.00 C ATOM 369 C GLN A 26 -10.271 -19.133 -8.658 1.00 0.00 C ATOM 370 O GLN A 26 -9.673 -20.146 -8.296 1.00 0.00 O ATOM 371 CB GLN A 26 -12.761 -19.039 -8.758 1.00 0.00 C ATOM 372 CG GLN A 26 -12.741 -19.988 -7.560 1.00 0.00 C ATOM 373 CD GLN A 26 -14.066 -19.907 -6.809 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.099 -20.334 -7.322 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.098 -19.377 -5.616 1.00 0.00 N ATOM 0 H GLN A 26 -12.323 -21.092 -10.043 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.415 -18.441 -10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.839 -18.007 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.636 -19.237 -9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.567 -21.010 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.919 -19.728 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.240 -19.023 -5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.981 -19.317 -5.108 1.00 0.00 H new ATOM 384 N PHE A 27 -9.919 -17.908 -8.281 1.00 0.00 N ATOM 385 CA PHE A 27 -8.780 -17.689 -7.396 1.00 0.00 C ATOM 386 C PHE A 27 -9.249 -17.440 -5.972 1.00 0.00 C ATOM 387 O PHE A 27 -9.991 -16.494 -5.704 1.00 0.00 O ATOM 388 CB PHE A 27 -7.961 -16.490 -7.882 1.00 0.00 C ATOM 389 CG PHE A 27 -6.864 -16.188 -6.889 1.00 0.00 C ATOM 390 CD1 PHE A 27 -7.022 -15.147 -5.967 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.687 -16.947 -6.890 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.005 -14.865 -5.047 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.671 -16.666 -5.971 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.829 -15.624 -5.049 1.00 0.00 C ATOM 0 H PHE A 27 -10.402 -17.058 -8.572 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.157 -18.584 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.531 -16.704 -8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.607 -15.620 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.929 -14.561 -5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.564 -17.750 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.128 -14.062 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.764 -17.253 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.044 -15.406 -4.340 1.00 0.00 H new ATOM 404 N ASP A 28 -8.809 -18.297 -5.062 1.00 0.00 N ATOM 405 CA ASP A 28 -9.182 -18.170 -3.664 1.00 0.00 C ATOM 406 C ASP A 28 -8.420 -17.020 -3.018 1.00 0.00 C ATOM 407 O ASP A 28 -7.393 -17.227 -2.371 1.00 0.00 O ATOM 408 CB ASP A 28 -8.871 -19.473 -2.930 1.00 0.00 C ATOM 409 CG ASP A 28 -9.877 -20.548 -3.326 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.872 -20.202 -3.940 1.00 0.00 O ATOM 411 OD2 ASP A 28 -9.637 -21.701 -3.009 1.00 0.00 O ATOM 0 H ASP A 28 -8.195 -19.085 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.250 -17.964 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.860 -19.803 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.905 -19.310 -1.853 1.00 0.00 H new ATOM 416 N ASP A 29 -8.929 -15.808 -3.205 1.00 0.00 N ATOM 417 CA ASP A 29 -8.289 -14.626 -2.644 1.00 0.00 C ATOM 418 C ASP A 29 -8.295 -14.676 -1.120 1.00 0.00 C ATOM 419 O ASP A 29 -7.349 -14.226 -0.474 1.00 0.00 O ATOM 420 CB ASP A 29 -9.010 -13.365 -3.124 1.00 0.00 C ATOM 421 CG ASP A 29 -10.475 -13.400 -2.705 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.881 -14.389 -2.117 1.00 0.00 O ATOM 423 OD2 ASP A 29 -11.173 -12.438 -2.980 1.00 0.00 O ATOM 0 H ASP A 29 -9.778 -15.619 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.254 -14.603 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.527 -12.481 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.937 -13.287 -4.209 1.00 0.00 H new ATOM 428 N SER A 30 -9.359 -15.230 -0.548 1.00 0.00 N ATOM 429 CA SER A 30 -9.458 -15.332 0.902 1.00 0.00 C ATOM 430 C SER A 30 -8.348 -16.222 1.450 1.00 0.00 C ATOM 431 O SER A 30 -7.672 -15.868 2.417 1.00 0.00 O ATOM 432 CB SER A 30 -10.816 -15.912 1.293 1.00 0.00 C ATOM 433 OG SER A 30 -10.891 -16.018 2.709 1.00 0.00 O ATOM 0 H SER A 30 -10.155 -15.611 -1.059 1.00 0.00 H new ATOM 0 HA SER A 30 -9.354 -14.333 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.618 -15.274 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.951 -16.892 0.836 1.00 0.00 H new ATOM 0 HG SER A 30 -11.762 -16.388 2.964 1.00 0.00 H new ATOM 439 N ALA A 31 -8.166 -17.379 0.823 1.00 0.00 N ATOM 440 CA ALA A 31 -7.137 -18.318 1.250 1.00 0.00 C ATOM 441 C ALA A 31 -5.747 -17.718 1.077 1.00 0.00 C ATOM 442 O ALA A 31 -4.881 -17.870 1.938 1.00 0.00 O ATOM 443 CB ALA A 31 -7.239 -19.609 0.437 1.00 0.00 C ATOM 0 H ALA A 31 -8.715 -17.688 0.021 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.294 -18.536 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.466 -20.306 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.220 -20.058 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.103 -19.384 -0.621 1.00 0.00 H new ATOM 449 N TYR A 32 -5.538 -17.036 -0.047 1.00 0.00 N ATOM 450 CA TYR A 32 -4.247 -16.423 -0.324 1.00 0.00 C ATOM 451 C TYR A 32 -3.909 -15.378 0.735 1.00 0.00 C ATOM 452 O TYR A 32 -2.811 -15.372 1.286 1.00 0.00 O ATOM 453 CB TYR A 32 -4.260 -15.756 -1.698 1.00 0.00 C ATOM 454 CG TYR A 32 -2.894 -15.181 -1.983 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.585 -13.877 -1.578 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.939 -15.949 -2.660 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.320 -13.343 -1.847 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.673 -15.415 -2.928 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.364 -14.111 -2.522 1.00 0.00 C ATOM 460 OH TYR A 32 0.883 -13.583 -2.788 1.00 0.00 O ATOM 0 H TYR A 32 -6.241 -16.896 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.491 -17.208 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.530 -16.482 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.013 -14.968 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.323 -13.284 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.179 -16.954 -2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.081 -12.337 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.065 -16.008 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 32 0.785 -12.762 -3.315 1.00 0.00 H new ATOM 470 N GLU A 33 -4.865 -14.496 1.012 1.00 0.00 N ATOM 471 CA GLU A 33 -4.647 -13.454 2.009 1.00 0.00 C ATOM 472 C GLU A 33 -4.541 -14.066 3.398 1.00 0.00 C ATOM 473 O GLU A 33 -3.766 -13.604 4.230 1.00 0.00 O ATOM 474 CB GLU A 33 -5.795 -12.440 1.979 1.00 0.00 C ATOM 475 CG GLU A 33 -7.096 -13.116 2.406 1.00 0.00 C ATOM 476 CD GLU A 33 -8.227 -12.092 2.430 1.00 0.00 C ATOM 477 OE1 GLU A 33 -9.295 -12.402 1.932 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.007 -11.009 2.950 1.00 0.00 O ATOM 0 H GLU A 33 -5.783 -14.481 0.568 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.714 -12.942 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.573 -11.606 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.901 -12.027 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.340 -13.924 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.977 -13.563 3.393 1.00 0.00 H new ATOM 485 N GLU A 34 -5.334 -15.101 3.643 1.00 0.00 N ATOM 486 CA GLU A 34 -5.321 -15.757 4.944 1.00 0.00 C ATOM 487 C GLU A 34 -3.941 -16.340 5.244 1.00 0.00 C ATOM 488 O GLU A 34 -3.401 -16.142 6.333 1.00 0.00 O ATOM 489 CB GLU A 34 -6.367 -16.872 4.976 1.00 0.00 C ATOM 490 CG GLU A 34 -6.426 -17.480 6.378 1.00 0.00 C ATOM 491 CD GLU A 34 -5.310 -18.503 6.549 1.00 0.00 C ATOM 492 OE1 GLU A 34 -4.879 -19.055 5.550 1.00 0.00 O ATOM 493 OE2 GLU A 34 -4.902 -18.723 7.678 1.00 0.00 O ATOM 0 H GLU A 34 -5.986 -15.500 2.968 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.558 -15.013 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.344 -16.476 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.116 -17.641 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.329 -16.695 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.394 -17.955 6.537 1.00 0.00 H new ATOM 500 N ALA A 35 -3.369 -17.056 4.277 1.00 0.00 N ATOM 501 CA ALA A 35 -2.050 -17.653 4.469 1.00 0.00 C ATOM 502 C ALA A 35 -0.983 -16.576 4.658 1.00 0.00 C ATOM 503 O ALA A 35 -0.150 -16.665 5.560 1.00 0.00 O ATOM 504 CB ALA A 35 -1.692 -18.521 3.261 1.00 0.00 C ATOM 0 H ALA A 35 -3.791 -17.235 3.366 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.083 -18.269 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.707 -18.964 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.433 -19.313 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.681 -17.906 2.361 1.00 0.00 H new ATOM 510 N TYR A 36 -1.010 -15.569 3.791 1.00 0.00 N ATOM 511 CA TYR A 36 -0.031 -14.487 3.860 1.00 0.00 C ATOM 512 C TYR A 36 -0.441 -13.445 4.894 1.00 0.00 C ATOM 513 O TYR A 36 0.372 -12.623 5.318 1.00 0.00 O ATOM 514 CB TYR A 36 0.117 -13.825 2.488 1.00 0.00 C ATOM 515 CG TYR A 36 0.736 -14.808 1.524 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.054 -15.422 0.544 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.100 -15.112 1.615 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.520 -16.338 -0.345 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.674 -16.029 0.724 1.00 0.00 C ATOM 520 CZ TYR A 36 1.884 -16.641 -0.256 1.00 0.00 C ATOM 521 OH TYR A 36 2.449 -17.546 -1.132 1.00 0.00 O ATOM 0 H TYR A 36 -1.692 -15.478 3.038 1.00 0.00 H new ATOM 0 HA TYR A 36 0.926 -14.913 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.857 -13.502 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.740 -12.934 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.106 -15.189 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.709 -14.640 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.090 -16.811 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.726 -16.263 0.794 1.00 0.00 H new ATOM 0 HH TYR A 36 3.397 -17.665 -0.913 1.00 0.00 H new ATOM 531 N GLY A 37 -1.702 -13.488 5.300 1.00 0.00 N ATOM 532 CA GLY A 37 -2.207 -12.546 6.290 1.00 0.00 C ATOM 533 C GLY A 37 -2.415 -11.163 5.681 1.00 0.00 C ATOM 534 O GLY A 37 -2.566 -10.178 6.403 1.00 0.00 O ATOM 0 H GLY A 37 -2.391 -14.160 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.150 -12.912 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.506 -12.478 7.122 1.00 0.00 H new ATOM 538 N VAL A 38 -2.425 -11.088 4.352 1.00 0.00 N ATOM 539 CA VAL A 38 -2.620 -9.808 3.682 1.00 0.00 C ATOM 540 C VAL A 38 -3.755 -9.893 2.664 1.00 0.00 C ATOM 541 O VAL A 38 -3.852 -10.854 1.902 1.00 0.00 O ATOM 542 CB VAL A 38 -1.331 -9.388 2.976 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.226 -9.180 4.013 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.907 -10.482 1.995 1.00 0.00 C ATOM 0 H VAL A 38 -2.302 -11.885 3.728 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.883 -9.066 4.436 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.501 -8.458 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.693 -8.880 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.527 -8.401 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.056 -10.110 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.012 -10.183 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.737 -11.412 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.694 -10.632 1.255 1.00 0.00 H new ATOM 554 N SER A 39 -4.613 -8.878 2.674 1.00 0.00 N ATOM 555 CA SER A 39 -5.756 -8.834 1.768 1.00 0.00 C ATOM 556 C SER A 39 -5.310 -8.774 0.310 1.00 0.00 C ATOM 557 O SER A 39 -4.326 -8.117 -0.028 1.00 0.00 O ATOM 558 CB SER A 39 -6.621 -7.615 2.085 1.00 0.00 C ATOM 559 OG SER A 39 -7.145 -7.740 3.401 1.00 0.00 O ATOM 0 H SER A 39 -4.539 -8.075 3.299 1.00 0.00 H new ATOM 0 HA SER A 39 -6.333 -9.748 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.029 -6.703 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.434 -7.534 1.364 1.00 0.00 H new ATOM 0 HG SER A 39 -7.699 -6.959 3.608 1.00 0.00 H new ATOM 565 N VAL A 40 -6.055 -9.466 -0.545 1.00 0.00 N ATOM 566 CA VAL A 40 -5.756 -9.496 -1.972 1.00 0.00 C ATOM 567 C VAL A 40 -6.782 -8.665 -2.737 1.00 0.00 C ATOM 568 O VAL A 40 -7.983 -8.915 -2.644 1.00 0.00 O ATOM 569 CB VAL A 40 -5.791 -10.936 -2.482 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.444 -10.958 -3.972 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.775 -11.778 -1.710 1.00 0.00 C ATOM 0 H VAL A 40 -6.871 -10.014 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.761 -9.079 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.789 -11.348 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.469 -11.985 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.169 -10.360 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.446 -10.545 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.801 -12.805 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.776 -11.367 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.022 -11.764 -0.649 1.00 0.00 H new ATOM 581 N PRO A 41 -6.339 -7.685 -3.474 1.00 0.00 N ATOM 582 CA PRO A 41 -7.251 -6.799 -4.258 1.00 0.00 C ATOM 583 C PRO A 41 -7.974 -7.561 -5.368 1.00 0.00 C ATOM 584 O PRO A 41 -7.393 -8.430 -6.019 1.00 0.00 O ATOM 585 CB PRO A 41 -6.316 -5.734 -4.838 1.00 0.00 C ATOM 586 CG PRO A 41 -4.959 -6.357 -4.838 1.00 0.00 C ATOM 587 CD PRO A 41 -4.928 -7.313 -3.648 1.00 0.00 C ATOM 0 HA PRO A 41 -8.045 -6.378 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.619 -5.452 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.332 -4.826 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.776 -6.891 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.182 -5.598 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.304 -8.184 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.526 -6.832 -2.756 1.00 0.00 H new ATOM 595 N SER A 42 -9.250 -7.241 -5.562 1.00 0.00 N ATOM 596 CA SER A 42 -10.058 -7.910 -6.576 1.00 0.00 C ATOM 597 C SER A 42 -9.501 -7.683 -7.977 1.00 0.00 C ATOM 598 O SER A 42 -9.582 -8.566 -8.830 1.00 0.00 O ATOM 599 CB SER A 42 -11.496 -7.395 -6.513 1.00 0.00 C ATOM 600 OG SER A 42 -11.511 -6.006 -6.818 1.00 0.00 O ATOM 0 H SER A 42 -9.746 -6.524 -5.032 1.00 0.00 H new ATOM 0 HA SER A 42 -10.034 -8.980 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.121 -7.941 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.913 -7.566 -5.520 1.00 0.00 H new ATOM 0 HG SER A 42 -12.432 -5.673 -6.780 1.00 0.00 H new ATOM 606 N ALA A 43 -8.942 -6.502 -8.218 1.00 0.00 N ATOM 607 CA ALA A 43 -8.392 -6.197 -9.534 1.00 0.00 C ATOM 608 C ALA A 43 -7.273 -7.172 -9.882 1.00 0.00 C ATOM 609 O ALA A 43 -7.199 -7.670 -11.006 1.00 0.00 O ATOM 610 CB ALA A 43 -7.851 -4.766 -9.555 1.00 0.00 C ATOM 0 H ALA A 43 -8.858 -5.751 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.187 -6.294 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.442 -4.546 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.659 -4.068 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.066 -4.663 -8.806 1.00 0.00 H new ATOM 616 N VAL A 44 -6.417 -7.456 -8.909 1.00 0.00 N ATOM 617 CA VAL A 44 -5.319 -8.392 -9.122 1.00 0.00 C ATOM 618 C VAL A 44 -5.858 -9.804 -9.326 1.00 0.00 C ATOM 619 O VAL A 44 -5.395 -10.539 -10.195 1.00 0.00 O ATOM 620 CB VAL A 44 -4.373 -8.374 -7.921 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.350 -9.502 -8.059 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.644 -7.029 -7.868 1.00 0.00 C ATOM 0 H VAL A 44 -6.460 -7.056 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.773 -8.087 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.947 -8.515 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.676 -9.489 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.868 -10.460 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.776 -9.362 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.969 -7.014 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.071 -6.889 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.372 -6.224 -7.769 1.00 0.00 H new ATOM 632 N VAL A 45 -6.836 -10.169 -8.503 1.00 0.00 N ATOM 633 CA VAL A 45 -7.447 -11.496 -8.562 1.00 0.00 C ATOM 634 C VAL A 45 -8.102 -11.759 -9.913 1.00 0.00 C ATOM 635 O VAL A 45 -8.011 -12.867 -10.443 1.00 0.00 O ATOM 636 CB VAL A 45 -8.496 -11.626 -7.457 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.292 -12.918 -7.656 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.798 -11.665 -6.095 1.00 0.00 C ATOM 0 H VAL A 45 -7.226 -9.561 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.656 -12.233 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.173 -10.772 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.039 -13.010 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.789 -12.894 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.616 -13.772 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.544 -11.758 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.122 -12.519 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.230 -10.746 -5.951 1.00 0.00 H new ATOM 648 N GLU A 46 -8.774 -10.755 -10.466 1.00 0.00 N ATOM 649 CA GLU A 46 -9.442 -10.932 -11.748 1.00 0.00 C ATOM 650 C GLU A 46 -8.433 -11.298 -12.832 1.00 0.00 C ATOM 651 O GLU A 46 -8.690 -12.174 -13.658 1.00 0.00 O ATOM 652 CB GLU A 46 -10.171 -9.648 -12.144 1.00 0.00 C ATOM 653 CG GLU A 46 -11.370 -9.434 -11.219 1.00 0.00 C ATOM 654 CD GLU A 46 -12.322 -10.621 -11.318 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.705 -11.137 -10.281 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.653 -10.998 -12.430 1.00 0.00 O ATOM 0 H GLU A 46 -8.870 -9.826 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.164 -11.742 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.492 -8.798 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.504 -9.712 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.030 -9.315 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.891 -8.516 -11.491 1.00 0.00 H new ATOM 663 N GLU A 47 -7.289 -10.623 -12.831 1.00 0.00 N ATOM 664 CA GLU A 47 -6.262 -10.891 -13.830 1.00 0.00 C ATOM 665 C GLU A 47 -5.769 -12.330 -13.721 1.00 0.00 C ATOM 666 O GLU A 47 -5.539 -12.992 -14.733 1.00 0.00 O ATOM 667 CB GLU A 47 -5.084 -9.934 -13.637 1.00 0.00 C ATOM 668 CG GLU A 47 -5.505 -8.519 -14.037 1.00 0.00 C ATOM 669 CD GLU A 47 -4.402 -7.529 -13.679 1.00 0.00 C ATOM 670 OE1 GLU A 47 -3.497 -7.915 -12.958 1.00 0.00 O ATOM 671 OE2 GLU A 47 -4.481 -6.398 -14.131 1.00 0.00 O ATOM 0 H GLU A 47 -7.051 -9.894 -12.158 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.697 -10.741 -14.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.758 -9.947 -12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.236 -10.257 -14.241 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.708 -8.479 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.429 -8.247 -13.527 1.00 0.00 H new ATOM 678 N MET A 48 -5.606 -12.809 -12.492 1.00 0.00 N ATOM 679 CA MET A 48 -5.138 -14.173 -12.281 1.00 0.00 C ATOM 680 C MET A 48 -6.224 -15.164 -12.691 1.00 0.00 C ATOM 681 O MET A 48 -5.945 -16.186 -13.314 1.00 0.00 O ATOM 682 CB MET A 48 -4.775 -14.376 -10.810 1.00 0.00 C ATOM 683 CG MET A 48 -3.901 -13.209 -10.346 1.00 0.00 C ATOM 684 SD MET A 48 -3.154 -13.598 -8.747 1.00 0.00 S ATOM 685 CE MET A 48 -1.747 -14.524 -9.400 1.00 0.00 C ATOM 0 H MET A 48 -5.788 -12.281 -11.638 1.00 0.00 H new ATOM 0 HA MET A 48 -4.252 -14.344 -12.892 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.679 -14.433 -10.204 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.244 -15.319 -10.680 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.122 -13.011 -11.083 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.502 -12.303 -10.266 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.860 -14.305 -8.806 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.961 -15.592 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.570 -14.235 -10.436 1.00 0.00 H new ATOM 695 N ASN A 49 -7.468 -14.830 -12.356 1.00 0.00 N ATOM 696 CA ASN A 49 -8.600 -15.675 -12.713 1.00 0.00 C ATOM 697 C ASN A 49 -8.743 -15.733 -14.230 1.00 0.00 C ATOM 698 O ASN A 49 -9.052 -16.777 -14.803 1.00 0.00 O ATOM 699 CB ASN A 49 -9.886 -15.119 -12.099 1.00 0.00 C ATOM 700 CG ASN A 49 -9.884 -15.340 -10.592 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.158 -16.200 -10.091 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.657 -14.612 -9.834 1.00 0.00 N ATOM 0 H ASN A 49 -7.715 -13.985 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.425 -16.679 -12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.972 -14.055 -12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.752 -15.608 -12.545 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.661 -14.754 -8.824 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.257 -13.901 -10.251 1.00 0.00 H new ATOM 709 N ALA A 50 -8.506 -14.592 -14.869 1.00 0.00 N ATOM 710 CA ALA A 50 -8.602 -14.504 -16.320 1.00 0.00 C ATOM 711 C ALA A 50 -7.590 -15.440 -16.971 1.00 0.00 C ATOM 712 O ALA A 50 -7.894 -16.102 -17.964 1.00 0.00 O ATOM 713 CB ALA A 50 -8.338 -13.067 -16.775 1.00 0.00 C ATOM 0 H ALA A 50 -8.247 -13.720 -14.407 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.607 -14.799 -16.623 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.412 -13.010 -17.861 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.075 -12.402 -16.326 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.339 -12.764 -16.463 1.00 0.00 H new ATOM 719 N LYS A 51 -6.387 -15.485 -16.408 1.00 0.00 N ATOM 720 CA LYS A 51 -5.339 -16.341 -16.948 1.00 0.00 C ATOM 721 C LYS A 51 -5.757 -17.807 -16.883 1.00 0.00 C ATOM 722 O LYS A 51 -5.537 -18.564 -17.825 1.00 0.00 O ATOM 723 CB LYS A 51 -4.047 -16.147 -16.150 1.00 0.00 C ATOM 724 CG LYS A 51 -3.486 -14.748 -16.409 1.00 0.00 C ATOM 725 CD LYS A 51 -3.022 -14.642 -17.862 1.00 0.00 C ATOM 726 CE LYS A 51 -2.380 -13.273 -18.095 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.931 -13.168 -19.512 1.00 0.00 N ATOM 0 H LYS A 51 -6.116 -14.945 -15.587 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.173 -16.066 -17.990 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.242 -16.280 -15.086 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.315 -16.902 -16.436 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.248 -13.996 -16.204 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.653 -14.549 -15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.307 -15.434 -18.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.868 -14.778 -18.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.095 -12.481 -17.869 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.532 -13.138 -17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.495 -12.237 -19.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.235 -13.915 -19.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.749 -13.279 -20.144 1.00 0.00 H new ATOM 741 N ALA A 52 -6.367 -18.198 -15.770 1.00 0.00 N ATOM 742 CA ALA A 52 -6.817 -19.575 -15.598 1.00 0.00 C ATOM 743 C ALA A 52 -7.863 -19.937 -16.644 1.00 0.00 C ATOM 744 O ALA A 52 -7.878 -21.054 -17.160 1.00 0.00 O ATOM 745 CB ALA A 52 -7.407 -19.759 -14.198 1.00 0.00 C ATOM 0 H ALA A 52 -6.561 -17.586 -14.978 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.958 -20.234 -15.722 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.741 -20.789 -14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.647 -19.533 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.254 -19.085 -14.069 1.00 0.00 H new ATOM 751 N ALA A 53 -8.731 -18.982 -16.955 1.00 0.00 N ATOM 752 CA ALA A 53 -9.777 -19.201 -17.949 1.00 0.00 C ATOM 753 C ALA A 53 -9.174 -19.467 -19.326 1.00 0.00 C ATOM 754 O ALA A 53 -9.668 -20.306 -20.080 1.00 0.00 O ATOM 755 CB ALA A 53 -10.691 -17.977 -18.019 1.00 0.00 C ATOM 0 H ALA A 53 -8.733 -18.052 -16.536 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.356 -20.075 -17.649 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.470 -18.146 -18.763 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.150 -17.809 -17.045 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.106 -17.101 -18.300 1.00 0.00 H new ATOM 761 N GLN A 54 -8.105 -18.743 -19.647 1.00 0.00 N ATOM 762 CA GLN A 54 -7.442 -18.901 -20.937 1.00 0.00 C ATOM 763 C GLN A 54 -6.500 -20.102 -20.924 1.00 0.00 C ATOM 764 O GLN A 54 -6.163 -20.648 -21.974 1.00 0.00 O ATOM 765 CB GLN A 54 -6.650 -17.636 -21.275 1.00 0.00 C ATOM 766 CG GLN A 54 -7.618 -16.467 -21.474 1.00 0.00 C ATOM 767 CD GLN A 54 -6.841 -15.201 -21.818 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.913 -15.241 -22.628 1.00 0.00 O ATOM 769 NE2 GLN A 54 -7.166 -14.072 -21.248 1.00 0.00 N ATOM 0 H GLN A 54 -7.682 -18.045 -19.035 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.208 -19.068 -21.694 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.948 -17.408 -20.473 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.062 -17.793 -22.179 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.323 -16.699 -22.272 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.203 -16.310 -20.568 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.934 -14.042 -20.578 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.651 -13.220 -21.473 1.00 0.00 H new ATOM 778 N LEU A 55 -6.076 -20.505 -19.732 1.00 0.00 N ATOM 779 CA LEU A 55 -5.167 -21.638 -19.599 1.00 0.00 C ATOM 780 C LEU A 55 -5.890 -22.964 -19.806 1.00 0.00 C ATOM 781 O LEU A 55 -7.006 -23.163 -19.328 1.00 0.00 O ATOM 782 CB LEU A 55 -4.510 -21.627 -18.217 1.00 0.00 C ATOM 783 CG LEU A 55 -3.487 -20.490 -18.142 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.031 -20.306 -16.695 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.278 -20.841 -19.011 1.00 0.00 C ATOM 0 H LEU A 55 -6.344 -20.069 -18.850 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.404 -21.540 -20.371 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.268 -21.499 -17.444 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.021 -22.583 -18.028 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.943 -19.567 -18.500 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.303 -19.496 -16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.891 -20.062 -16.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.574 -21.229 -16.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.547 -20.034 -18.960 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.825 -21.764 -18.649 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.599 -20.976 -20.044 1.00 0.00 H new ATOM 797 N LYS A 56 -5.226 -23.868 -20.517 1.00 0.00 N ATOM 798 CA LYS A 56 -5.780 -25.189 -20.787 1.00 0.00 C ATOM 799 C LYS A 56 -5.259 -26.189 -19.761 1.00 0.00 C ATOM 800 O LYS A 56 -4.374 -25.868 -18.968 1.00 0.00 O ATOM 801 CB LYS A 56 -5.389 -25.642 -22.196 1.00 0.00 C ATOM 802 CG LYS A 56 -6.050 -24.726 -23.230 1.00 0.00 C ATOM 803 CD LYS A 56 -5.669 -25.184 -24.639 1.00 0.00 C ATOM 804 CE LYS A 56 -6.363 -24.292 -25.670 1.00 0.00 C ATOM 805 NZ LYS A 56 -5.880 -22.890 -25.517 1.00 0.00 N ATOM 0 H LYS A 56 -4.301 -23.710 -20.918 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.867 -25.138 -20.718 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.305 -25.615 -22.310 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.701 -26.674 -22.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.133 -24.748 -23.110 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.732 -23.695 -23.073 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.588 -25.135 -24.769 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.961 -26.224 -24.786 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.155 -24.652 -26.678 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.444 -24.333 -25.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.084 -22.356 -26.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.364 -22.442 -24.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.854 -22.893 -25.346 1.00 0.00 H new ATOM 819 N ASP A 57 -5.808 -27.399 -19.773 1.00 0.00 N ATOM 820 CA ASP A 57 -5.379 -28.424 -18.830 1.00 0.00 C ATOM 821 C ASP A 57 -3.894 -28.719 -19.011 1.00 0.00 C ATOM 822 O ASP A 57 -3.340 -28.512 -20.091 1.00 0.00 O ATOM 823 CB ASP A 57 -6.188 -29.706 -19.045 1.00 0.00 C ATOM 824 CG ASP A 57 -5.876 -30.294 -20.417 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.485 -31.293 -20.764 1.00 0.00 O ATOM 826 OD2 ASP A 57 -5.033 -29.739 -21.102 1.00 0.00 O ATOM 0 H ASP A 57 -6.543 -27.691 -20.418 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.548 -28.058 -17.817 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.950 -30.431 -18.267 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.254 -29.491 -18.966 1.00 0.00 H new ATOM 831 N GLY A 58 -3.254 -29.199 -17.950 1.00 0.00 N ATOM 832 CA GLY A 58 -1.831 -29.511 -18.007 1.00 0.00 C ATOM 833 C GLY A 58 -0.990 -28.275 -17.694 1.00 0.00 C ATOM 834 O GLY A 58 0.239 -28.325 -17.730 1.00 0.00 O ATOM 0 H GLY A 58 -3.694 -29.379 -17.047 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.599 -30.303 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.576 -29.888 -18.998 1.00 0.00 H new ATOM 838 N GLU A 59 -1.661 -27.173 -17.370 1.00 0.00 N ATOM 839 CA GLU A 59 -0.968 -25.932 -17.028 1.00 0.00 C ATOM 840 C GLU A 59 -1.526 -25.341 -15.741 1.00 0.00 C ATOM 841 O GLU A 59 -2.692 -25.549 -15.405 1.00 0.00 O ATOM 842 CB GLU A 59 -1.092 -24.910 -18.160 1.00 0.00 C ATOM 843 CG GLU A 59 -0.290 -25.396 -19.367 1.00 0.00 C ATOM 844 CD GLU A 59 -1.160 -26.286 -20.244 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.718 -26.633 -21.327 1.00 0.00 O ATOM 846 OE2 GLU A 59 -2.260 -26.602 -19.822 1.00 0.00 O ATOM 0 H GLU A 59 -2.679 -27.113 -17.337 1.00 0.00 H new ATOM 0 HA GLU A 59 0.086 -26.169 -16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.139 -24.778 -18.433 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.723 -23.938 -17.831 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.069 -24.543 -19.943 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.589 -25.948 -19.032 1.00 0.00 H new ATOM 853 N TRP A 60 -0.692 -24.591 -15.027 1.00 0.00 N ATOM 854 CA TRP A 60 -1.123 -23.964 -13.786 1.00 0.00 C ATOM 855 C TRP A 60 -0.559 -22.553 -13.684 1.00 0.00 C ATOM 856 O TRP A 60 0.500 -22.254 -14.237 1.00 0.00 O ATOM 857 CB TRP A 60 -0.671 -24.786 -12.579 1.00 0.00 C ATOM 858 CG TRP A 60 -1.087 -26.210 -12.759 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.244 -27.267 -12.785 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.426 -26.750 -12.957 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.981 -28.422 -12.975 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.331 -28.155 -13.088 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.701 -26.161 -13.032 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.460 -28.950 -13.288 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.840 -26.958 -13.233 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.721 -28.348 -13.360 1.00 0.00 C ATOM 0 H TRP A 60 0.277 -24.405 -15.285 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.212 -23.916 -13.791 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.412 -24.724 -12.469 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.108 -24.381 -11.666 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.829 -27.217 -12.675 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.577 -29.357 -13.025 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.805 -25.090 -12.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.361 -30.021 -13.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.814 -26.496 -13.290 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.602 -28.954 -13.513 1.00 0.00 H new ATOM 877 N LEU A 61 -1.269 -21.695 -12.970 1.00 0.00 N ATOM 878 CA LEU A 61 -0.830 -20.319 -12.792 1.00 0.00 C ATOM 879 C LEU A 61 -0.157 -20.171 -11.431 1.00 0.00 C ATOM 880 O LEU A 61 -0.630 -20.720 -10.435 1.00 0.00 O ATOM 881 CB LEU A 61 -2.026 -19.369 -12.897 1.00 0.00 C ATOM 882 CG LEU A 61 -1.541 -17.925 -12.773 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.550 -17.628 -13.899 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.736 -16.974 -12.886 1.00 0.00 C ATOM 0 H LEU A 61 -2.148 -21.924 -12.506 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.114 -20.065 -13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.536 -19.512 -13.850 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.750 -19.590 -12.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.054 -17.785 -11.808 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.201 -16.599 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.300 -18.306 -13.824 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.041 -17.767 -14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.391 -15.944 -12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.221 -17.113 -13.852 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.448 -17.188 -12.089 1.00 0.00 H new ATOM 896 N ASN A 62 0.947 -19.433 -11.391 1.00 0.00 N ATOM 897 CA ASN A 62 1.672 -19.230 -10.143 1.00 0.00 C ATOM 898 C ASN A 62 1.335 -17.871 -9.540 1.00 0.00 C ATOM 899 O ASN A 62 1.410 -16.846 -10.217 1.00 0.00 O ATOM 900 CB ASN A 62 3.178 -19.322 -10.392 1.00 0.00 C ATOM 901 CG ASN A 62 3.940 -19.049 -9.099 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.391 -17.928 -8.869 1.00 0.00 O ATOM 903 ND2 ASN A 62 4.109 -20.013 -8.236 1.00 0.00 N ATOM 0 H ASN A 62 1.357 -18.969 -12.202 1.00 0.00 H new ATOM 0 HA ASN A 62 1.372 -20.009 -9.441 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.432 -20.312 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.473 -18.603 -11.156 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.616 -19.838 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.734 -20.942 -8.429 1.00 0.00 H new ATOM 910 N VAL A 63 0.964 -17.870 -8.264 1.00 0.00 N ATOM 911 CA VAL A 63 0.620 -16.630 -7.581 1.00 0.00 C ATOM 912 C VAL A 63 1.602 -16.376 -6.442 1.00 0.00 C ATOM 913 O VAL A 63 1.804 -17.239 -5.586 1.00 0.00 O ATOM 914 CB VAL A 63 -0.799 -16.726 -7.021 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.167 -15.409 -6.334 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.782 -17.010 -8.159 1.00 0.00 C ATOM 0 H VAL A 63 0.894 -18.708 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 63 0.673 -15.805 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.849 -17.537 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.179 -15.477 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.468 -15.215 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.117 -14.595 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.793 -17.078 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.735 -16.203 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.519 -17.952 -8.641 1.00 0.00 H new ATOM 926 N SER A 64 2.217 -15.195 -6.430 1.00 0.00 N ATOM 927 CA SER A 64 3.178 -14.856 -5.386 1.00 0.00 C ATOM 928 C SER A 64 3.230 -13.344 -5.185 1.00 0.00 C ATOM 929 O SER A 64 2.562 -12.592 -5.895 1.00 0.00 O ATOM 930 CB SER A 64 4.567 -15.370 -5.767 1.00 0.00 C ATOM 931 OG SER A 64 5.462 -15.155 -4.683 1.00 0.00 O ATOM 0 H SER A 64 2.068 -14.464 -7.125 1.00 0.00 H new ATOM 0 HA SER A 64 2.861 -15.328 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.520 -16.432 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.926 -14.855 -6.658 1.00 0.00 H new ATOM 0 HG SER A 64 6.353 -15.485 -4.924 1.00 0.00 H new ATOM 937 N HIS A 65 4.024 -12.905 -4.212 1.00 0.00 N ATOM 938 CA HIS A 65 4.143 -11.477 -3.931 1.00 0.00 C ATOM 939 C HIS A 65 5.546 -11.142 -3.439 1.00 0.00 C ATOM 940 O HIS A 65 6.298 -12.028 -3.034 1.00 0.00 O ATOM 941 CB HIS A 65 3.128 -11.069 -2.865 1.00 0.00 C ATOM 942 CG HIS A 65 3.534 -11.654 -1.539 1.00 0.00 C ATOM 943 ND1 HIS A 65 4.158 -11.102 -0.447 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 3.308 -12.982 -1.216 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 4.316 -12.070 0.539 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 3.788 -13.184 0.026 1.00 0.00 N flip ATOM 0 H HIS A 65 4.587 -13.508 -3.612 1.00 0.00 H new ATOM 0 HA HIS A 65 3.949 -10.930 -4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.075 -9.983 -2.795 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.134 -11.420 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.834 -13.720 -1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.769 -11.947 1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.753 -14.078 0.515 1.00 0.00 H new ATOM 954 N GLU A 66 5.897 -9.858 -3.474 1.00 0.00 N ATOM 955 CA GLU A 66 7.214 -9.423 -3.023 1.00 0.00 C ATOM 956 C GLU A 66 7.149 -8.941 -1.578 1.00 0.00 C ATOM 957 O GLU A 66 6.321 -8.097 -1.233 1.00 0.00 O ATOM 958 CB GLU A 66 7.723 -8.293 -3.920 1.00 0.00 C ATOM 959 CG GLU A 66 9.089 -7.818 -3.421 1.00 0.00 C ATOM 960 CD GLU A 66 10.103 -8.954 -3.521 1.00 0.00 C ATOM 961 OE1 GLU A 66 11.124 -8.871 -2.856 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.845 -9.890 -4.259 1.00 0.00 O ATOM 0 H GLU A 66 5.292 -9.107 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 66 7.899 -10.269 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.801 -8.640 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.015 -7.465 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.425 -6.966 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.011 -7.479 -2.388 1.00 0.00 H new ATOM 969 N ALA A 67 8.025 -9.481 -0.738 1.00 0.00 N ATOM 970 CA ALA A 67 8.056 -9.097 0.669 1.00 0.00 C ATOM 971 C ALA A 67 9.485 -9.115 1.198 1.00 0.00 C ATOM 972 O ALA A 67 9.774 -8.343 2.096 1.00 0.00 O ATOM 973 CB ALA A 67 7.193 -10.056 1.489 1.00 0.00 C ATOM 0 H ALA A 67 8.718 -10.181 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 67 7.661 -8.085 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.221 -9.763 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.165 -10.019 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.577 -11.071 1.385 1.00 0.00 H new TER 979 ALA A 67