USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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: B 19 TYR OH : rot 180:sc= -0.0249 USER MOD Set 1.2: B 20 MET CE :methyl 140:sc= -0.98 (180deg=-1.92) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= -0.507 USER MOD Set 2.2: A 20 MET CE :methyl 143:sc= -1.57 (180deg=-2.67!) USER MOD Single : A 1 MET CE :methyl 142:sc= -4.34! (180deg=-6.46!) USER MOD Single : A 1 MET N :NH3+ -161:sc=-0.000907 (180deg=-0.143) USER MOD Single : A 3 MET CE :methyl -123:sc= -2.56 (180deg=-7.94!) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.0103 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.725 K(o=-0.73,f=-4.8!) USER MOD Single : A 14 GLN : amide:sc=-0.00103 K(o=-0.001,f=-0.55) USER MOD Single : A 22 THR OG1 : rot -28:sc= 0.24 USER MOD Single : A 23 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.055) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.595 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.98) USER MOD Single : A 35 SER OG : rot 23:sc= 0.214 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 44 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.5) USER MOD Single : B 1 MET CE :methyl 144:sc= -4.46 (180deg=-6.87!) USER MOD Single : B 1 MET N :NH3+ -160:sc=-8.59e-05 (180deg=-0.16) USER MOD Single : B 3 MET CE :methyl -123:sc= -2.65 (180deg=-7.83!) USER MOD Single : B 5 THR OG1 : rot -160:sc= -0.0173 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.79 K(o=-0.79,f=-5.2!) USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 22 THR OG1 : rot -29:sc= 0.204 USER MOD Single : B 23 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.087) USER MOD Single : B 28 THR OG1 : rot 68:sc= 0.554 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.9) USER MOD Single : B 35 SER OG : rot 23:sc= 0.231 USER MOD Single : B 43 SER OG : rot 180:sc= 0.00843 USER MOD Single : B 44 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.094 -11.368 -4.257 1.00 0.00 N ATOM 2 CA MET A 1 -1.421 -10.462 -5.181 1.00 0.00 C ATOM 3 C MET A 1 -1.551 -10.956 -6.618 1.00 0.00 C ATOM 4 O MET A 1 -1.149 -12.075 -6.940 1.00 0.00 O ATOM 5 CB MET A 1 0.056 -10.324 -4.808 1.00 0.00 C ATOM 6 CG MET A 1 0.283 -9.700 -3.441 1.00 0.00 C ATOM 7 SD MET A 1 1.269 -8.192 -3.521 1.00 0.00 S ATOM 8 CE MET A 1 0.304 -7.217 -4.672 1.00 0.00 C ATOM 0 H1 MET A 1 -2.277 -10.876 -3.359 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.996 -11.679 -4.671 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.490 -12.196 -4.081 1.00 0.00 H new ATOM 0 HA MET A 1 -1.900 -9.486 -5.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.521 -11.310 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.557 -9.718 -5.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.681 -9.476 -2.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.782 -10.422 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.312 -6.173 -4.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.734 -7.301 -5.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.723 -7.583 -4.687 1.00 0.00 H new ATOM 18 N LEU A 2 -2.116 -10.116 -7.478 1.00 0.00 N ATOM 19 CA LEU A 2 -2.300 -10.467 -8.882 1.00 0.00 C ATOM 20 C LEU A 2 -1.561 -9.489 -9.790 1.00 0.00 C ATOM 21 O LEU A 2 -1.789 -8.281 -9.732 1.00 0.00 O ATOM 22 CB LEU A 2 -3.788 -10.483 -9.234 1.00 0.00 C ATOM 23 CG LEU A 2 -4.132 -10.837 -10.682 1.00 0.00 C ATOM 24 CD1 LEU A 2 -3.426 -12.116 -11.101 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.638 -10.976 -10.853 1.00 0.00 C ATOM 0 H LEU A 2 -2.455 -9.187 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.886 -11.463 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.288 -11.196 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.204 -9.500 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.786 -10.028 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.683 -12.352 -12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.348 -11.981 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.740 -12.934 -10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.865 -11.228 -11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.007 -11.765 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.122 -10.034 -10.594 1.00 0.00 H new ATOM 37 N MET A 3 -0.678 -10.019 -10.629 1.00 0.00 N ATOM 38 CA MET A 3 0.092 -9.192 -11.551 1.00 0.00 C ATOM 39 C MET A 3 -0.833 -8.374 -12.448 1.00 0.00 C ATOM 40 O MET A 3 -1.743 -8.916 -13.076 1.00 0.00 O ATOM 41 CB MET A 3 1.011 -10.065 -12.408 1.00 0.00 C ATOM 42 CG MET A 3 2.353 -9.419 -12.711 1.00 0.00 C ATOM 43 SD MET A 3 3.005 -9.896 -14.323 1.00 0.00 S ATOM 44 CE MET A 3 4.047 -8.488 -14.697 1.00 0.00 C ATOM 0 H MET A 3 -0.478 -11.017 -10.690 1.00 0.00 H new ATOM 0 HA MET A 3 0.701 -8.505 -10.963 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.180 -11.012 -11.896 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.508 -10.296 -13.347 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.247 -8.335 -12.673 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.069 -9.697 -11.937 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.737 -8.047 -15.644 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.954 -7.746 -13.904 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.085 -8.813 -14.771 1.00 0.00 H new ATOM 54 N ILE A 4 -0.593 -7.068 -12.503 1.00 0.00 N ATOM 55 CA ILE A 4 -1.404 -6.177 -13.323 1.00 0.00 C ATOM 56 C ILE A 4 -0.845 -6.072 -14.738 1.00 0.00 C ATOM 57 O ILE A 4 -1.587 -6.144 -15.718 1.00 0.00 O ATOM 58 CB ILE A 4 -1.487 -4.767 -12.710 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.219 -4.813 -11.367 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.186 -3.813 -13.667 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.587 -5.452 -11.446 1.00 0.00 C ATOM 0 H ILE A 4 0.156 -6.604 -11.990 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.405 -6.607 -13.361 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.474 -4.402 -12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.611 -5.364 -10.650 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.323 -3.798 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.237 -2.821 -13.219 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.628 -3.761 -14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.195 -4.173 -13.867 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.047 -5.450 -10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.212 -4.889 -12.138 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.489 -6.479 -11.799 1.00 0.00 H new ATOM 73 N THR A 5 0.470 -5.903 -14.838 1.00 0.00 N ATOM 74 CA THR A 5 1.130 -5.789 -16.132 1.00 0.00 C ATOM 75 C THR A 5 2.644 -5.708 -15.973 1.00 0.00 C ATOM 76 O THR A 5 3.162 -5.741 -14.857 1.00 0.00 O ATOM 77 CB THR A 5 0.640 -4.550 -16.905 1.00 0.00 C ATOM 78 OG1 THR A 5 1.090 -4.610 -18.263 1.00 0.00 O ATOM 79 CG2 THR A 5 1.145 -3.271 -16.254 1.00 0.00 C ATOM 0 H THR A 5 1.099 -5.842 -14.037 1.00 0.00 H new ATOM 0 HA THR A 5 0.874 -6.686 -16.697 1.00 0.00 H new ATOM 0 HB THR A 5 -0.450 -4.544 -16.884 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.913 -3.753 -18.704 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.786 -2.410 -16.817 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.776 -3.214 -15.230 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.235 -3.272 -16.248 1.00 0.00 H new ATOM 87 N SER A 6 3.348 -5.602 -17.095 1.00 0.00 N ATOM 88 CA SER A 6 4.803 -5.519 -17.079 1.00 0.00 C ATOM 89 C SER A 6 5.292 -4.373 -17.960 1.00 0.00 C ATOM 90 O SER A 6 4.763 -4.142 -19.047 1.00 0.00 O ATOM 91 CB SER A 6 5.415 -6.839 -17.554 1.00 0.00 C ATOM 92 OG SER A 6 4.766 -7.312 -18.721 1.00 0.00 O ATOM 0 H SER A 6 2.934 -5.572 -18.027 1.00 0.00 H new ATOM 0 HA SER A 6 5.120 -5.327 -16.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.477 -6.699 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.337 -7.585 -16.763 1.00 0.00 H new ATOM 0 HG SER A 6 5.177 -8.155 -19.005 1.00 0.00 H new ATOM 98 N PHE A 7 6.306 -3.659 -17.482 1.00 0.00 N ATOM 99 CA PHE A 7 6.866 -2.536 -18.224 1.00 0.00 C ATOM 100 C PHE A 7 8.391 -2.599 -18.237 1.00 0.00 C ATOM 101 O PHE A 7 9.001 -3.287 -17.419 1.00 0.00 O ATOM 102 CB PHE A 7 6.405 -1.212 -17.612 1.00 0.00 C ATOM 103 CG PHE A 7 4.922 -0.991 -17.710 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.248 -1.237 -18.895 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.203 -0.536 -16.616 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.884 -1.035 -18.987 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.839 -0.332 -16.703 1.00 0.00 C ATOM 108 CZ PHE A 7 2.179 -0.581 -17.890 1.00 0.00 C ATOM 0 H PHE A 7 6.756 -3.838 -16.585 1.00 0.00 H new ATOM 0 HA PHE A 7 6.508 -2.598 -19.252 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.700 -1.183 -16.563 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.920 -0.391 -18.111 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.795 -1.591 -19.757 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.714 -0.339 -15.685 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.370 -1.232 -19.916 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.290 0.022 -15.843 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.113 -0.421 -17.960 1.00 0.00 H new ATOM 118 N ALA A 8 8.999 -1.877 -19.172 1.00 0.00 N ATOM 119 CA ALA A 8 10.452 -1.849 -19.291 1.00 0.00 C ATOM 120 C ALA A 8 10.988 -0.429 -19.143 1.00 0.00 C ATOM 121 O ALA A 8 11.996 -0.070 -19.751 1.00 0.00 O ATOM 122 CB ALA A 8 10.883 -2.442 -20.625 1.00 0.00 C ATOM 0 H ALA A 8 8.508 -1.304 -19.858 1.00 0.00 H new ATOM 0 HA ALA A 8 10.870 -2.452 -18.485 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.970 -2.415 -20.701 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.540 -3.474 -20.692 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.448 -1.862 -21.439 1.00 0.00 H new ATOM 128 N ASN A 9 10.307 0.374 -18.333 1.00 0.00 N ATOM 129 CA ASN A 9 10.714 1.756 -18.106 1.00 0.00 C ATOM 130 C ASN A 9 10.178 2.270 -16.774 1.00 0.00 C ATOM 131 O ASN A 9 9.051 1.977 -16.375 1.00 0.00 O ATOM 132 CB ASN A 9 10.220 2.649 -19.246 1.00 0.00 C ATOM 133 CG ASN A 9 11.334 3.042 -20.197 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.451 3.338 -19.774 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.033 3.048 -21.491 1.00 0.00 N ATOM 0 H ASN A 9 9.470 0.092 -17.822 1.00 0.00 H new ATOM 0 HA ASN A 9 11.803 1.787 -18.075 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.440 2.127 -19.800 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.768 3.549 -18.829 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.742 3.305 -22.178 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.093 2.795 -21.797 1.00 0.00 H new ATOM 142 N PRO A 10 11.004 3.056 -16.067 1.00 0.00 N ATOM 143 CA PRO A 10 10.634 3.629 -14.769 1.00 0.00 C ATOM 144 C PRO A 10 9.560 4.703 -14.895 1.00 0.00 C ATOM 145 O PRO A 10 8.565 4.687 -14.169 1.00 0.00 O ATOM 146 CB PRO A 10 11.945 4.239 -14.265 1.00 0.00 C ATOM 147 CG PRO A 10 12.730 4.524 -15.498 1.00 0.00 C ATOM 148 CD PRO A 10 12.362 3.447 -16.481 1.00 0.00 C ATOM 0 HA PRO A 10 10.210 2.881 -14.099 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.764 5.149 -13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.476 3.549 -13.609 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.491 5.511 -15.893 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.800 4.514 -15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.379 3.816 -17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.054 2.606 -16.434 1.00 0.00 H new ATOM 156 N ARG A 11 9.767 5.635 -15.819 1.00 0.00 N ATOM 157 CA ARG A 11 8.816 6.718 -16.039 1.00 0.00 C ATOM 158 C ARG A 11 7.402 6.172 -16.218 1.00 0.00 C ATOM 159 O ARG A 11 6.449 6.682 -15.628 1.00 0.00 O ATOM 160 CB ARG A 11 9.217 7.537 -17.267 1.00 0.00 C ATOM 161 CG ARG A 11 9.346 6.710 -18.535 1.00 0.00 C ATOM 162 CD ARG A 11 10.068 7.478 -19.631 1.00 0.00 C ATOM 163 NE ARG A 11 9.471 8.791 -19.863 1.00 0.00 N ATOM 164 CZ ARG A 11 10.081 9.770 -20.522 1.00 0.00 C ATOM 165 NH1 ARG A 11 11.299 9.584 -21.013 1.00 0.00 N ATOM 166 NH2 ARG A 11 9.473 10.937 -20.692 1.00 0.00 N ATOM 0 H ARG A 11 10.585 5.662 -16.428 1.00 0.00 H new ATOM 0 HA ARG A 11 8.830 7.363 -15.161 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.477 8.321 -17.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.167 8.032 -17.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.888 5.790 -18.317 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.355 6.421 -18.884 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.116 7.599 -19.358 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.044 6.900 -20.555 1.00 0.00 H new ATOM 0 HE ARG A 11 8.534 8.966 -19.499 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.769 8.688 -20.885 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.766 10.337 -21.519 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.536 11.083 -20.316 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.943 11.688 -21.198 1.00 0.00 H new ATOM 180 N VAL A 12 7.274 5.133 -17.037 1.00 0.00 N ATOM 181 CA VAL A 12 5.978 4.517 -17.293 1.00 0.00 C ATOM 182 C VAL A 12 5.425 3.854 -16.037 1.00 0.00 C ATOM 183 O VAL A 12 4.315 4.155 -15.601 1.00 0.00 O ATOM 184 CB VAL A 12 6.068 3.467 -18.417 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.766 2.688 -18.525 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.412 4.133 -19.741 1.00 0.00 C ATOM 0 H VAL A 12 8.052 4.700 -17.535 1.00 0.00 H new ATOM 0 HA VAL A 12 5.305 5.316 -17.604 1.00 0.00 H new ATOM 0 HB VAL A 12 6.865 2.764 -18.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.848 1.951 -19.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.567 2.180 -17.582 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.949 3.374 -18.747 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.472 3.377 -20.524 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.639 4.858 -19.995 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.372 4.642 -19.654 1.00 0.00 H new ATOM 196 N ALA A 13 6.209 2.951 -15.457 1.00 0.00 N ATOM 197 CA ALA A 13 5.800 2.247 -14.249 1.00 0.00 C ATOM 198 C ALA A 13 5.295 3.221 -13.190 1.00 0.00 C ATOM 199 O ALA A 13 4.145 3.140 -12.758 1.00 0.00 O ATOM 200 CB ALA A 13 6.956 1.422 -13.701 1.00 0.00 C ATOM 0 H ALA A 13 7.132 2.690 -15.805 1.00 0.00 H new ATOM 0 HA ALA A 13 4.981 1.577 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.636 0.902 -12.798 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.269 0.693 -14.448 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.792 2.080 -13.463 1.00 0.00 H new ATOM 206 N GLN A 14 6.161 4.140 -12.777 1.00 0.00 N ATOM 207 CA GLN A 14 5.801 5.129 -11.768 1.00 0.00 C ATOM 208 C GLN A 14 4.568 5.919 -12.194 1.00 0.00 C ATOM 209 O GLN A 14 3.647 6.125 -11.404 1.00 0.00 O ATOM 210 CB GLN A 14 6.971 6.083 -11.518 1.00 0.00 C ATOM 211 CG GLN A 14 6.611 7.270 -10.639 1.00 0.00 C ATOM 212 CD GLN A 14 6.104 6.852 -9.273 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.520 5.828 -8.730 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.199 7.644 -8.710 1.00 0.00 N ATOM 0 H GLN A 14 7.116 4.221 -13.125 1.00 0.00 H new ATOM 0 HA GLN A 14 5.569 4.599 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.786 5.530 -11.052 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.341 6.450 -12.475 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.487 7.907 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.849 7.869 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.883 8.483 -9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.820 7.413 -7.791 1.00 0.00 H new ATOM 223 N ALA A 15 4.558 6.358 -13.448 1.00 0.00 N ATOM 224 CA ALA A 15 3.437 7.124 -13.980 1.00 0.00 C ATOM 225 C ALA A 15 2.127 6.358 -13.827 1.00 0.00 C ATOM 226 O ALA A 15 1.117 6.916 -13.398 1.00 0.00 O ATOM 227 CB ALA A 15 3.680 7.469 -15.442 1.00 0.00 C ATOM 0 H ALA A 15 5.313 6.197 -14.115 1.00 0.00 H new ATOM 0 HA ALA A 15 3.357 8.048 -13.408 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.835 8.041 -15.826 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.590 8.063 -15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.789 6.551 -16.019 1.00 0.00 H new ATOM 233 N PHE A 16 2.151 5.077 -14.180 1.00 0.00 N ATOM 234 CA PHE A 16 0.964 4.235 -14.083 1.00 0.00 C ATOM 235 C PHE A 16 0.468 4.159 -12.642 1.00 0.00 C ATOM 236 O PHE A 16 -0.659 4.552 -12.340 1.00 0.00 O ATOM 237 CB PHE A 16 1.267 2.829 -14.605 1.00 0.00 C ATOM 238 CG PHE A 16 0.883 2.629 -16.043 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.435 2.387 -16.395 1.00 0.00 C ATOM 240 CD2 PHE A 16 1.841 2.681 -17.043 1.00 0.00 C ATOM 241 CE1 PHE A 16 -0.792 2.202 -17.718 1.00 0.00 C ATOM 242 CE2 PHE A 16 1.490 2.498 -18.368 1.00 0.00 C ATOM 243 CZ PHE A 16 0.173 2.257 -18.705 1.00 0.00 C ATOM 0 H PHE A 16 2.979 4.599 -14.536 1.00 0.00 H new ATOM 0 HA PHE A 16 0.181 4.682 -14.695 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.332 2.629 -14.490 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.738 2.100 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.193 2.342 -15.627 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.873 2.866 -16.785 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.823 2.015 -17.979 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.245 2.544 -19.138 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.103 2.112 -19.739 1.00 0.00 H new ATOM 253 N VAL A 17 1.318 3.649 -11.756 1.00 0.00 N ATOM 254 CA VAL A 17 0.967 3.521 -10.346 1.00 0.00 C ATOM 255 C VAL A 17 0.623 4.877 -9.740 1.00 0.00 C ATOM 256 O VAL A 17 -0.095 4.959 -8.744 1.00 0.00 O ATOM 257 CB VAL A 17 2.115 2.887 -9.538 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.405 1.480 -10.038 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.361 3.756 -9.611 1.00 0.00 C ATOM 0 H VAL A 17 2.254 3.318 -11.989 1.00 0.00 H new ATOM 0 HA VAL A 17 0.093 2.871 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 17 1.808 2.820 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.219 1.047 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.513 0.864 -9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.692 1.519 -11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.162 3.293 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.674 3.857 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.142 4.742 -9.200 1.00 0.00 H new ATOM 269 N ASP A 18 1.139 5.939 -10.349 1.00 0.00 N ATOM 270 CA ASP A 18 0.885 7.293 -9.871 1.00 0.00 C ATOM 271 C ASP A 18 -0.567 7.694 -10.119 1.00 0.00 C ATOM 272 O ASP A 18 -1.304 8.003 -9.183 1.00 0.00 O ATOM 273 CB ASP A 18 1.825 8.285 -10.558 1.00 0.00 C ATOM 274 CG ASP A 18 1.621 9.707 -10.073 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.584 9.915 -8.842 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.500 10.612 -10.925 1.00 0.00 O ATOM 0 H ASP A 18 1.736 5.888 -11.175 1.00 0.00 H new ATOM 0 HA ASP A 18 1.071 7.313 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.858 7.987 -10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.666 8.245 -11.636 1.00 0.00 H new ATOM 281 N TYR A 19 -0.969 7.686 -11.384 1.00 0.00 N ATOM 282 CA TYR A 19 -2.330 8.052 -11.756 1.00 0.00 C ATOM 283 C TYR A 19 -3.340 7.083 -11.148 1.00 0.00 C ATOM 284 O TYR A 19 -4.501 7.431 -10.937 1.00 0.00 O ATOM 285 CB TYR A 19 -2.478 8.072 -13.278 1.00 0.00 C ATOM 286 CG TYR A 19 -3.154 6.840 -13.837 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.537 6.712 -13.815 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.409 5.804 -14.388 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.158 5.588 -14.324 1.00 0.00 C ATOM 290 CE2 TYR A 19 -3.022 4.677 -14.900 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.397 4.573 -14.865 1.00 0.00 C ATOM 292 OH TYR A 19 -5.012 3.453 -15.374 1.00 0.00 O ATOM 0 H TYR A 19 -0.372 7.430 -12.170 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.530 9.050 -11.366 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.051 8.953 -13.567 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.491 8.171 -13.729 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.137 7.505 -13.393 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.332 5.882 -14.416 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.234 5.504 -14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.428 3.882 -15.325 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.334 2.835 -15.718 1.00 0.00 H new ATOM 302 N MET A 20 -2.887 5.865 -10.869 1.00 0.00 N ATOM 303 CA MET A 20 -3.749 4.845 -10.283 1.00 0.00 C ATOM 304 C MET A 20 -3.957 5.099 -8.794 1.00 0.00 C ATOM 305 O MET A 20 -5.072 4.986 -8.285 1.00 0.00 O ATOM 306 CB MET A 20 -3.148 3.455 -10.497 1.00 0.00 C ATOM 307 CG MET A 20 -3.399 2.892 -11.887 1.00 0.00 C ATOM 308 SD MET A 20 -4.849 1.821 -11.952 1.00 0.00 S ATOM 309 CE MET A 20 -6.167 3.033 -11.906 1.00 0.00 C ATOM 0 H MET A 20 -1.929 5.560 -11.039 1.00 0.00 H new ATOM 0 HA MET A 20 -4.718 4.894 -10.780 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.073 3.502 -10.321 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.562 2.771 -9.756 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.528 3.715 -12.590 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.523 2.331 -12.211 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.985 2.706 -12.548 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.529 3.138 -10.883 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.791 3.993 -12.258 1.00 0.00 H new ATOM 319 N ALA A 21 -2.876 5.441 -8.100 1.00 0.00 N ATOM 320 CA ALA A 21 -2.941 5.711 -6.669 1.00 0.00 C ATOM 321 C ALA A 21 -3.794 6.941 -6.381 1.00 0.00 C ATOM 322 O ALA A 21 -4.591 6.952 -5.442 1.00 0.00 O ATOM 323 CB ALA A 21 -1.540 5.894 -6.103 1.00 0.00 C ATOM 0 H ALA A 21 -1.945 5.538 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.409 4.855 -6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.603 6.095 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.959 4.986 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.053 6.732 -6.602 1.00 0.00 H new ATOM 329 N THR A 22 -3.623 7.979 -7.195 1.00 0.00 N ATOM 330 CA THR A 22 -4.376 9.215 -7.026 1.00 0.00 C ATOM 331 C THR A 22 -5.843 9.019 -7.393 1.00 0.00 C ATOM 332 O THR A 22 -6.683 9.869 -7.098 1.00 0.00 O ATOM 333 CB THR A 22 -3.791 10.351 -7.885 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.434 11.590 -7.564 1.00 0.00 O ATOM 335 CG2 THR A 22 -3.965 10.054 -9.367 1.00 0.00 C ATOM 0 H THR A 22 -2.969 7.987 -7.978 1.00 0.00 H new ATOM 0 HA THR A 22 -4.301 9.490 -5.974 1.00 0.00 H new ATOM 0 HB THR A 22 -2.726 10.428 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.346 11.414 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.544 10.871 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.450 9.126 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.026 9.952 -9.596 1.00 0.00 H new ATOM 343 N GLN A 23 -6.142 7.896 -8.036 1.00 0.00 N ATOM 344 CA GLN A 23 -7.509 7.590 -8.442 1.00 0.00 C ATOM 345 C GLN A 23 -8.192 6.687 -7.420 1.00 0.00 C ATOM 346 O GLN A 23 -9.373 6.369 -7.549 1.00 0.00 O ATOM 347 CB GLN A 23 -7.517 6.920 -9.817 1.00 0.00 C ATOM 348 CG GLN A 23 -7.493 7.905 -10.975 1.00 0.00 C ATOM 349 CD GLN A 23 -8.826 8.598 -11.179 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.673 8.128 -11.939 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.019 9.722 -10.499 1.00 0.00 N ATOM 0 H GLN A 23 -5.457 7.183 -8.287 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.062 8.527 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.653 6.260 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.405 6.294 -9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.722 8.654 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.218 7.379 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.289 10.075 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.897 10.232 -10.596 1.00 0.00 H new ATOM 360 N GLY A 24 -7.439 6.277 -6.404 1.00 0.00 N ATOM 361 CA GLY A 24 -7.989 5.415 -5.374 1.00 0.00 C ATOM 362 C GLY A 24 -7.582 3.966 -5.553 1.00 0.00 C ATOM 363 O GLY A 24 -8.189 3.066 -4.972 1.00 0.00 O ATOM 0 H GLY A 24 -6.458 6.526 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.657 5.764 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.076 5.488 -5.386 1.00 0.00 H new ATOM 367 N VAL A 25 -6.552 3.738 -6.362 1.00 0.00 N ATOM 368 CA VAL A 25 -6.064 2.387 -6.617 1.00 0.00 C ATOM 369 C VAL A 25 -4.563 2.290 -6.372 1.00 0.00 C ATOM 370 O VAL A 25 -3.765 2.872 -7.106 1.00 0.00 O ATOM 371 CB VAL A 25 -6.367 1.945 -8.061 1.00 0.00 C ATOM 372 CG1 VAL A 25 -5.863 0.530 -8.303 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.858 2.044 -8.346 1.00 0.00 C ATOM 0 H VAL A 25 -6.039 4.471 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.585 1.726 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.844 2.614 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.086 0.235 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.786 0.495 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.356 -0.155 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.054 1.728 -9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.404 1.400 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.186 3.075 -8.215 1.00 0.00 H new ATOM 383 N ILE A 26 -4.186 1.549 -5.335 1.00 0.00 N ATOM 384 CA ILE A 26 -2.779 1.374 -4.994 1.00 0.00 C ATOM 385 C ILE A 26 -2.139 0.284 -5.846 1.00 0.00 C ATOM 386 O ILE A 26 -2.697 -0.802 -6.006 1.00 0.00 O ATOM 387 CB ILE A 26 -2.601 1.018 -3.506 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.163 2.133 -2.621 1.00 0.00 C ATOM 389 CG2 ILE A 26 -1.133 0.775 -3.192 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.511 3.478 -2.857 1.00 0.00 C ATOM 0 H ILE A 26 -4.834 1.061 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.285 2.325 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.154 0.102 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.235 2.222 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.035 1.855 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.023 0.525 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.762 -0.049 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.560 1.675 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.958 4.220 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.443 3.406 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.661 3.778 -3.894 1.00 0.00 H new ATOM 402 N LEU A 27 -0.963 0.580 -6.389 1.00 0.00 N ATOM 403 CA LEU A 27 -0.244 -0.376 -7.224 1.00 0.00 C ATOM 404 C LEU A 27 1.207 -0.510 -6.772 1.00 0.00 C ATOM 405 O LEU A 27 1.727 0.344 -6.054 1.00 0.00 O ATOM 406 CB LEU A 27 -0.295 0.058 -8.690 1.00 0.00 C ATOM 407 CG LEU A 27 -1.605 -0.223 -9.428 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.505 0.218 -10.880 1.00 0.00 C ATOM 409 CD2 LEU A 27 -1.960 -1.701 -9.341 1.00 0.00 C ATOM 0 H LEU A 27 -0.487 1.474 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.729 -1.347 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.096 1.129 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.514 -0.441 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.399 0.350 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.446 0.010 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.298 1.287 -10.922 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.699 -0.327 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.895 -1.883 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.165 -2.293 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.075 -1.987 -8.295 1.00 0.00 H new ATOM 421 N THR A 28 1.857 -1.589 -7.199 1.00 0.00 N ATOM 422 CA THR A 28 3.248 -1.835 -6.839 1.00 0.00 C ATOM 423 C THR A 28 4.100 -2.081 -8.078 1.00 0.00 C ATOM 424 O THR A 28 3.629 -2.646 -9.066 1.00 0.00 O ATOM 425 CB THR A 28 3.378 -3.043 -5.893 1.00 0.00 C ATOM 426 OG1 THR A 28 2.083 -3.452 -5.439 1.00 0.00 O ATOM 427 CG2 THR A 28 4.255 -2.702 -4.697 1.00 0.00 C ATOM 0 H THR A 28 1.442 -2.306 -7.794 1.00 0.00 H new ATOM 0 HA THR A 28 3.605 -0.942 -6.327 1.00 0.00 H new ATOM 0 HB THR A 28 3.844 -3.859 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.572 -3.816 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.332 -3.571 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.249 -2.419 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.813 -1.872 -4.147 1.00 0.00 H new ATOM 435 N ILE A 29 5.357 -1.654 -8.020 1.00 0.00 N ATOM 436 CA ILE A 29 6.276 -1.830 -9.138 1.00 0.00 C ATOM 437 C ILE A 29 7.541 -2.559 -8.700 1.00 0.00 C ATOM 438 O ILE A 29 8.028 -2.364 -7.587 1.00 0.00 O ATOM 439 CB ILE A 29 6.667 -0.477 -9.763 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.434 0.216 -10.345 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.726 -0.677 -10.837 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.806 -0.536 -11.499 1.00 0.00 C ATOM 0 H ILE A 29 5.762 -1.184 -7.211 1.00 0.00 H new ATOM 0 HA ILE A 29 5.754 -2.429 -9.884 1.00 0.00 H new ATOM 0 HB ILE A 29 7.084 0.160 -8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.692 0.341 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.713 1.214 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.992 0.287 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.612 -1.133 -10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.334 -1.329 -11.618 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.937 0.013 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.533 -0.639 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.495 -1.525 -11.163 1.00 0.00 H new ATOM 454 N GLN A 30 8.070 -3.399 -9.584 1.00 0.00 N ATOM 455 CA GLN A 30 9.279 -4.158 -9.289 1.00 0.00 C ATOM 456 C GLN A 30 10.362 -3.881 -10.326 1.00 0.00 C ATOM 457 O GLN A 30 10.303 -4.384 -11.448 1.00 0.00 O ATOM 458 CB GLN A 30 8.970 -5.655 -9.244 1.00 0.00 C ATOM 459 CG GLN A 30 8.792 -6.198 -7.836 1.00 0.00 C ATOM 460 CD GLN A 30 9.800 -7.278 -7.495 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.585 -8.456 -7.779 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.909 -6.881 -6.882 1.00 0.00 N ATOM 0 H GLN A 30 7.680 -3.571 -10.511 1.00 0.00 H new ATOM 0 HA GLN A 30 9.647 -3.842 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.062 -5.847 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.777 -6.199 -9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.885 -5.381 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.784 -6.600 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.046 -5.894 -6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.623 -7.563 -6.628 1.00 0.00 H new ATOM 471 N GLN A 31 11.350 -3.077 -9.944 1.00 0.00 N ATOM 472 CA GLN A 31 12.445 -2.733 -10.843 1.00 0.00 C ATOM 473 C GLN A 31 13.546 -3.787 -10.787 1.00 0.00 C ATOM 474 O GLN A 31 14.472 -3.691 -9.981 1.00 0.00 O ATOM 475 CB GLN A 31 13.017 -1.361 -10.481 1.00 0.00 C ATOM 476 CG GLN A 31 12.930 -0.349 -11.612 1.00 0.00 C ATOM 477 CD GLN A 31 14.053 0.669 -11.572 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.714 0.841 -10.547 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.275 1.350 -12.690 1.00 0.00 N ATOM 0 H GLN A 31 11.414 -2.652 -9.019 1.00 0.00 H new ATOM 0 HA GLN A 31 12.052 -2.699 -11.859 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.484 -0.971 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.060 -1.477 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.955 -0.874 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.973 0.169 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.703 1.175 -13.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.018 2.048 -12.723 1.00 0.00 H new ATOM 536 N SER A 35 22.892 -6.849 -13.056 1.00 0.00 N ATOM 537 CA SER A 35 24.099 -6.316 -13.677 1.00 0.00 C ATOM 538 C SER A 35 24.929 -7.435 -14.300 1.00 0.00 C ATOM 539 O SER A 35 25.696 -8.109 -13.613 1.00 0.00 O ATOM 540 CB SER A 35 24.937 -5.558 -12.645 1.00 0.00 C ATOM 541 OG SER A 35 24.138 -4.650 -11.907 1.00 0.00 O ATOM 0 HA SER A 35 23.798 -5.628 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.410 -6.266 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 25.737 -5.016 -13.149 1.00 0.00 H new ATOM 0 HG SER A 35 23.201 -4.936 -11.942 1.00 0.00 H new ATOM 547 N ASP A 36 24.769 -7.625 -15.605 1.00 0.00 N ATOM 548 CA ASP A 36 25.504 -8.660 -16.322 1.00 0.00 C ATOM 549 C ASP A 36 26.865 -8.144 -16.778 1.00 0.00 C ATOM 550 O ASP A 36 26.962 -7.090 -17.407 1.00 0.00 O ATOM 551 CB ASP A 36 24.697 -9.145 -17.528 1.00 0.00 C ATOM 552 CG ASP A 36 23.442 -9.891 -17.123 1.00 0.00 C ATOM 553 OD1 ASP A 36 23.080 -9.841 -15.929 1.00 0.00 O ATOM 554 OD2 ASP A 36 22.820 -10.525 -18.001 1.00 0.00 O ATOM 0 H ASP A 36 24.137 -7.076 -16.188 1.00 0.00 H new ATOM 0 HA ASP A 36 25.663 -9.496 -15.641 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.424 -8.290 -18.146 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.321 -9.796 -18.141 1.00 0.00 H new ATOM 559 N VAL A 37 27.914 -8.894 -16.457 1.00 0.00 N ATOM 560 CA VAL A 37 29.270 -8.512 -16.833 1.00 0.00 C ATOM 561 C VAL A 37 29.730 -9.270 -18.074 1.00 0.00 C ATOM 562 O VAL A 37 29.747 -10.500 -18.091 1.00 0.00 O ATOM 563 CB VAL A 37 30.266 -8.774 -15.688 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.613 -8.139 -15.995 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.710 -8.254 -14.371 1.00 0.00 C ATOM 0 H VAL A 37 27.851 -9.770 -15.938 1.00 0.00 H new ATOM 0 HA VAL A 37 29.249 -7.444 -17.049 1.00 0.00 H new ATOM 0 HB VAL A 37 30.412 -9.850 -15.596 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.303 -8.335 -15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.014 -8.563 -16.916 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.489 -7.063 -16.115 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.426 -8.447 -13.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.534 -7.181 -14.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.771 -8.761 -14.147 1.00 0.00 H new ATOM 575 N TRP A 38 30.101 -8.526 -19.110 1.00 0.00 N ATOM 576 CA TRP A 38 30.562 -9.128 -20.356 1.00 0.00 C ATOM 577 C TRP A 38 31.872 -8.497 -20.815 1.00 0.00 C ATOM 578 O TRP A 38 32.125 -7.317 -20.564 1.00 0.00 O ATOM 579 CB TRP A 38 29.499 -8.974 -21.445 1.00 0.00 C ATOM 580 CG TRP A 38 28.564 -7.827 -21.204 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.732 -7.659 -20.134 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.365 -6.690 -22.051 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.028 -6.486 -20.266 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.399 -5.873 -21.433 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.911 -6.282 -23.271 1.00 0.00 C ATOM 586 CZ2 TRP A 38 26.968 -4.675 -21.995 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.482 -5.093 -23.828 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.519 -4.300 -23.190 1.00 0.00 C ATOM 0 H TRP A 38 30.092 -7.506 -19.112 1.00 0.00 H new ATOM 0 HA TRP A 38 30.736 -10.189 -20.174 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.992 -8.836 -22.407 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.922 -9.896 -21.512 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.641 -8.347 -19.306 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.340 -6.130 -19.602 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.655 -6.886 -23.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.225 -4.063 -21.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.896 -4.769 -24.771 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.206 -3.375 -23.650 1.00 0.00 H new ATOM 599 N LEU A 39 32.701 -9.287 -21.486 1.00 0.00 N ATOM 600 CA LEU A 39 33.986 -8.804 -21.980 1.00 0.00 C ATOM 601 C LEU A 39 34.090 -8.980 -23.492 1.00 0.00 C ATOM 602 O LEU A 39 33.470 -9.875 -24.066 1.00 0.00 O ATOM 603 CB LEU A 39 35.132 -9.546 -21.289 1.00 0.00 C ATOM 604 CG LEU A 39 36.533 -9.283 -21.843 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.958 -7.850 -21.561 1.00 0.00 C ATOM 606 CD2 LEU A 39 37.533 -10.265 -21.251 1.00 0.00 C ATOM 0 H LEU A 39 32.507 -10.265 -21.701 1.00 0.00 H new ATOM 0 HA LEU A 39 34.059 -7.741 -21.751 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.125 -9.280 -20.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.934 -10.616 -21.350 1.00 0.00 H new ATOM 0 HG LEU A 39 36.509 -9.427 -22.923 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.957 -7.681 -21.962 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.256 -7.163 -22.034 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.965 -7.678 -20.485 1.00 0.00 H new ATOM 0 HD21 LEU A 39 38.525 -10.063 -21.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.554 -10.153 -20.167 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.237 -11.283 -21.505 1.00 0.00 H new ATOM 618 N ALA A 40 34.879 -8.122 -24.130 1.00 0.00 N ATOM 619 CA ALA A 40 35.068 -8.186 -25.574 1.00 0.00 C ATOM 620 C ALA A 40 36.377 -8.884 -25.926 1.00 0.00 C ATOM 621 O ALA A 40 36.478 -9.549 -26.958 1.00 0.00 O ATOM 622 CB ALA A 40 35.036 -6.788 -26.172 1.00 0.00 C ATOM 0 H ALA A 40 35.398 -7.374 -23.670 1.00 0.00 H new ATOM 0 HA ALA A 40 34.250 -8.770 -25.997 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.178 -6.850 -27.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.073 -6.323 -25.959 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.833 -6.187 -25.735 1.00 0.00 H new ATOM 628 N ASP A 41 37.375 -8.729 -25.064 1.00 0.00 N ATOM 629 CA ASP A 41 38.679 -9.345 -25.285 1.00 0.00 C ATOM 630 C ASP A 41 38.718 -10.755 -24.704 1.00 0.00 C ATOM 631 O ASP A 41 39.100 -10.951 -23.551 1.00 0.00 O ATOM 632 CB ASP A 41 39.783 -8.492 -24.660 1.00 0.00 C ATOM 633 CG ASP A 41 41.170 -8.967 -25.043 1.00 0.00 C ATOM 634 OD1 ASP A 41 41.274 -10.020 -25.708 1.00 0.00 O ATOM 635 OD2 ASP A 41 42.152 -8.287 -24.680 1.00 0.00 O ATOM 0 H ASP A 41 37.307 -8.182 -24.206 1.00 0.00 H new ATOM 0 HA ASP A 41 38.846 -9.409 -26.360 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.658 -7.455 -24.973 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.682 -8.512 -23.575 1.00 0.00 H new ATOM 640 N GLU A 42 38.320 -11.734 -25.511 1.00 0.00 N ATOM 641 CA GLU A 42 38.308 -13.125 -25.075 1.00 0.00 C ATOM 642 C GLU A 42 39.636 -13.503 -24.424 1.00 0.00 C ATOM 643 O GLU A 42 39.667 -14.201 -23.411 1.00 0.00 O ATOM 644 CB GLU A 42 38.027 -14.052 -26.260 1.00 0.00 C ATOM 645 CG GLU A 42 36.614 -13.932 -26.804 1.00 0.00 C ATOM 646 CD GLU A 42 36.401 -14.753 -28.061 1.00 0.00 C ATOM 647 OE1 GLU A 42 36.571 -15.989 -27.999 1.00 0.00 O ATOM 648 OE2 GLU A 42 36.064 -14.160 -29.107 1.00 0.00 O ATOM 0 H GLU A 42 38.002 -11.589 -26.469 1.00 0.00 H new ATOM 0 HA GLU A 42 37.515 -13.240 -24.336 1.00 0.00 H new ATOM 0 HB2 GLU A 42 38.735 -13.831 -27.059 1.00 0.00 H new ATOM 0 HB3 GLU A 42 38.203 -15.083 -25.954 1.00 0.00 H new ATOM 0 HG2 GLU A 42 35.906 -14.254 -26.040 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.399 -12.885 -27.018 1.00 0.00 H new ATOM 655 N SER A 43 40.732 -13.036 -25.015 1.00 0.00 N ATOM 656 CA SER A 43 42.063 -13.327 -24.496 1.00 0.00 C ATOM 657 C SER A 43 42.165 -12.952 -23.021 1.00 0.00 C ATOM 658 O SER A 43 42.812 -13.646 -22.237 1.00 0.00 O ATOM 659 CB SER A 43 43.123 -12.573 -25.300 1.00 0.00 C ATOM 660 OG SER A 43 42.895 -12.704 -26.693 1.00 0.00 O ATOM 0 H SER A 43 40.724 -12.455 -25.853 1.00 0.00 H new ATOM 0 HA SER A 43 42.238 -14.399 -24.593 1.00 0.00 H new ATOM 0 HB2 SER A 43 43.112 -11.519 -25.024 1.00 0.00 H new ATOM 0 HB3 SER A 43 44.113 -12.957 -25.053 1.00 0.00 H new ATOM 0 HG SER A 43 43.585 -12.212 -27.185 1.00 0.00 H new ATOM 666 N GLN A 44 41.522 -11.849 -22.651 1.00 0.00 N ATOM 667 CA GLN A 44 41.541 -11.380 -21.271 1.00 0.00 C ATOM 668 C GLN A 44 40.425 -12.031 -20.460 1.00 0.00 C ATOM 669 O GLN A 44 40.423 -11.972 -19.230 1.00 0.00 O ATOM 670 CB GLN A 44 41.400 -9.858 -21.225 1.00 0.00 C ATOM 671 CG GLN A 44 42.691 -9.138 -20.868 1.00 0.00 C ATOM 672 CD GLN A 44 43.901 -9.732 -21.561 1.00 0.00 C ATOM 673 OE1 GLN A 44 43.866 -10.021 -22.758 1.00 0.00 O ATOM 674 NE2 GLN A 44 44.981 -9.917 -20.812 1.00 0.00 N ATOM 0 H GLN A 44 40.982 -11.264 -23.288 1.00 0.00 H new ATOM 0 HA GLN A 44 42.497 -11.662 -20.831 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.053 -9.504 -22.196 1.00 0.00 H new ATOM 0 HB3 GLN A 44 40.633 -9.594 -20.497 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.602 -8.086 -21.138 1.00 0.00 H new ATOM 0 HG3 GLN A 44 42.839 -9.179 -19.789 1.00 0.00 H new ATOM 0 HE21 GLN A 44 44.966 -9.663 -19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 44 45.826 -10.313 -21.224 1.00 0.00 H new ATOM 683 N ALA A 45 39.477 -12.650 -21.156 1.00 0.00 N ATOM 684 CA ALA A 45 38.357 -13.312 -20.501 1.00 0.00 C ATOM 685 C ALA A 45 38.844 -14.301 -19.447 1.00 0.00 C ATOM 686 O ALA A 45 38.135 -14.596 -18.485 1.00 0.00 O ATOM 687 CB ALA A 45 37.487 -14.021 -21.529 1.00 0.00 C ATOM 0 H ALA A 45 39.463 -12.706 -22.174 1.00 0.00 H new ATOM 0 HA ALA A 45 37.760 -12.550 -20.000 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.654 -14.511 -21.025 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.101 -13.293 -22.243 1.00 0.00 H new ATOM 0 HB3 ALA A 45 38.082 -14.767 -22.056 1.00 0.00 H new ATOM 693 N GLU A 46 40.057 -14.810 -19.635 1.00 0.00 N ATOM 694 CA GLU A 46 40.637 -15.767 -18.700 1.00 0.00 C ATOM 695 C GLU A 46 41.171 -15.059 -17.458 1.00 0.00 C ATOM 696 O GLU A 46 40.822 -15.412 -16.332 1.00 0.00 O ATOM 697 CB GLU A 46 41.762 -16.555 -19.374 1.00 0.00 C ATOM 698 CG GLU A 46 41.322 -17.293 -20.628 1.00 0.00 C ATOM 699 CD GLU A 46 42.481 -17.938 -21.362 1.00 0.00 C ATOM 700 OE1 GLU A 46 43.625 -17.464 -21.200 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.244 -18.917 -22.100 1.00 0.00 O ATOM 0 H GLU A 46 40.657 -14.576 -20.426 1.00 0.00 H new ATOM 0 HA GLU A 46 39.852 -16.458 -18.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 42.571 -15.870 -19.630 1.00 0.00 H new ATOM 0 HB3 GLU A 46 42.167 -17.275 -18.662 1.00 0.00 H new ATOM 0 HG2 GLU A 46 40.596 -18.060 -20.358 1.00 0.00 H new ATOM 0 HG3 GLU A 46 40.816 -16.596 -21.296 1.00 0.00 H new ATOM 708 N ARG A 47 42.019 -14.059 -17.673 1.00 0.00 N ATOM 709 CA ARG A 47 42.603 -13.302 -16.572 1.00 0.00 C ATOM 710 C ARG A 47 41.515 -12.666 -15.712 1.00 0.00 C ATOM 711 O ARG A 47 41.653 -12.561 -14.493 1.00 0.00 O ATOM 712 CB ARG A 47 43.541 -12.220 -17.110 1.00 0.00 C ATOM 713 CG ARG A 47 42.834 -10.921 -17.461 1.00 0.00 C ATOM 714 CD ARG A 47 42.848 -9.945 -16.295 1.00 0.00 C ATOM 715 NE ARG A 47 44.204 -9.673 -15.827 1.00 0.00 N ATOM 716 CZ ARG A 47 45.094 -8.971 -16.519 1.00 0.00 C ATOM 717 NH1 ARG A 47 44.773 -8.473 -17.705 1.00 0.00 N ATOM 718 NH2 ARG A 47 46.309 -8.766 -16.025 1.00 0.00 N ATOM 0 H ARG A 47 42.317 -13.754 -18.600 1.00 0.00 H new ATOM 0 HA ARG A 47 43.174 -13.993 -15.952 1.00 0.00 H new ATOM 0 HB2 ARG A 47 44.311 -12.015 -16.366 1.00 0.00 H new ATOM 0 HB3 ARG A 47 44.048 -12.599 -17.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.318 -10.464 -18.325 1.00 0.00 H new ATOM 0 HG3 ARG A 47 41.804 -11.132 -17.747 1.00 0.00 H new ATOM 0 HD2 ARG A 47 42.375 -9.011 -16.598 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.256 -10.351 -15.475 1.00 0.00 H new ATOM 0 HE ARG A 47 44.483 -10.043 -14.918 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.841 -8.629 -18.088 1.00 0.00 H new ATOM 0 HH12 ARG A 47 45.458 -7.934 -18.234 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.560 -9.148 -15.113 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.992 -8.227 -16.557 1.00 0.00 H new ATOM 732 N VAL A 48 40.431 -12.242 -16.356 1.00 0.00 N ATOM 733 CA VAL A 48 39.319 -11.617 -15.651 1.00 0.00 C ATOM 734 C VAL A 48 38.509 -12.650 -14.876 1.00 0.00 C ATOM 735 O VAL A 48 38.085 -12.403 -13.747 1.00 0.00 O ATOM 736 CB VAL A 48 38.385 -10.873 -16.623 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.136 -9.759 -17.338 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.775 -11.843 -17.624 1.00 0.00 C ATOM 0 H VAL A 48 40.300 -12.320 -17.365 1.00 0.00 H new ATOM 0 HA VAL A 48 39.751 -10.900 -14.953 1.00 0.00 H new ATOM 0 HB VAL A 48 37.576 -10.423 -16.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.460 -9.244 -18.021 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.520 -9.050 -16.605 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.967 -10.184 -17.902 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.118 -11.300 -18.303 1.00 0.00 H new ATOM 0 HG22 VAL A 48 38.569 -12.324 -18.195 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.200 -12.601 -17.092 1.00 0.00 H new ATOM 748 N ARG A 49 38.297 -13.810 -15.491 1.00 0.00 N ATOM 749 CA ARG A 49 37.536 -14.881 -14.860 1.00 0.00 C ATOM 750 C ARG A 49 38.188 -15.311 -13.549 1.00 0.00 C ATOM 751 O ARG A 49 37.507 -15.525 -12.546 1.00 0.00 O ATOM 752 CB ARG A 49 37.424 -16.080 -15.803 1.00 0.00 C ATOM 753 CG ARG A 49 36.084 -16.173 -16.514 1.00 0.00 C ATOM 754 CD ARG A 49 36.211 -16.888 -17.850 1.00 0.00 C ATOM 755 NE ARG A 49 35.253 -17.982 -17.979 1.00 0.00 N ATOM 756 CZ ARG A 49 35.148 -18.744 -19.061 1.00 0.00 C ATOM 757 NH1 ARG A 49 35.939 -18.533 -20.104 1.00 0.00 N ATOM 758 NH2 ARG A 49 34.251 -19.721 -19.102 1.00 0.00 N ATOM 0 H ARG A 49 38.642 -14.031 -16.425 1.00 0.00 H new ATOM 0 HA ARG A 49 36.537 -14.504 -14.643 1.00 0.00 H new ATOM 0 HB2 ARG A 49 38.218 -16.021 -16.548 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.588 -16.995 -15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.372 -16.704 -15.882 1.00 0.00 H new ATOM 0 HG3 ARG A 49 35.685 -15.171 -16.673 1.00 0.00 H new ATOM 0 HD2 ARG A 49 36.057 -16.174 -18.659 1.00 0.00 H new ATOM 0 HD3 ARG A 49 37.223 -17.278 -17.957 1.00 0.00 H new ATOM 0 HE ARG A 49 34.630 -18.171 -17.194 1.00 0.00 H new ATOM 0 HH11 ARG A 49 36.630 -17.784 -20.076 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.856 -19.120 -20.934 1.00 0.00 H new ATOM 0 HH21 ARG A 49 33.641 -19.887 -18.302 1.00 0.00 H new ATOM 0 HH22 ARG A 49 34.171 -20.306 -19.934 1.00 0.00 H new ATOM 772 N ALA A 50 39.511 -15.436 -13.564 1.00 0.00 N ATOM 773 CA ALA A 50 40.255 -15.838 -12.377 1.00 0.00 C ATOM 774 C ALA A 50 40.233 -14.742 -11.318 1.00 0.00 C ATOM 775 O ALA A 50 39.823 -14.974 -10.181 1.00 0.00 O ATOM 776 CB ALA A 50 41.689 -16.189 -12.747 1.00 0.00 C ATOM 0 H ALA A 50 40.090 -15.264 -14.386 1.00 0.00 H new ATOM 0 HA ALA A 50 39.773 -16.721 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.233 -16.487 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.689 -17.011 -13.463 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.173 -15.320 -13.193 1.00 0.00 H new ATOM 782 N GLU A 51 40.677 -13.548 -11.698 1.00 0.00 N ATOM 783 CA GLU A 51 40.709 -12.417 -10.779 1.00 0.00 C ATOM 784 C GLU A 51 39.325 -12.153 -10.193 1.00 0.00 C ATOM 785 O GLU A 51 39.182 -11.911 -8.993 1.00 0.00 O ATOM 786 CB GLU A 51 41.219 -11.164 -11.494 1.00 0.00 C ATOM 787 CG GLU A 51 42.701 -11.214 -11.827 1.00 0.00 C ATOM 788 CD GLU A 51 43.523 -11.868 -10.734 1.00 0.00 C ATOM 789 OE1 GLU A 51 43.476 -11.379 -9.585 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.213 -12.867 -11.025 1.00 0.00 O ATOM 0 H GLU A 51 41.019 -13.339 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 51 41.389 -12.664 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.653 -11.026 -12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.025 -10.294 -10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.842 -11.761 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.066 -10.201 -11.994 1.00 0.00 H new ATOM 797 N LEU A 52 38.308 -12.200 -11.047 1.00 0.00 N ATOM 798 CA LEU A 52 36.935 -11.966 -10.615 1.00 0.00 C ATOM 799 C LEU A 52 36.509 -12.993 -9.571 1.00 0.00 C ATOM 800 O LEU A 52 36.017 -12.638 -8.500 1.00 0.00 O ATOM 801 CB LEU A 52 35.986 -12.019 -11.814 1.00 0.00 C ATOM 802 CG LEU A 52 34.506 -11.786 -11.510 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.001 -10.546 -12.231 1.00 0.00 C ATOM 804 CD2 LEU A 52 33.683 -13.005 -11.901 1.00 0.00 C ATOM 0 H LEU A 52 38.409 -12.398 -12.042 1.00 0.00 H new ATOM 0 HA LEU A 52 36.887 -10.975 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.309 -11.273 -12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.089 -12.994 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 52 34.396 -11.627 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.946 -10.397 -12.002 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.570 -9.677 -11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.125 -10.675 -13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 52 32.632 -12.821 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 52 33.799 -13.196 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.027 -13.872 -11.338 1.00 0.00 H new ATOM 816 N ALA A 53 36.705 -14.269 -9.889 1.00 0.00 N ATOM 817 CA ALA A 53 36.346 -15.347 -8.977 1.00 0.00 C ATOM 818 C ALA A 53 37.056 -15.192 -7.636 1.00 0.00 C ATOM 819 O ALA A 53 36.508 -15.535 -6.589 1.00 0.00 O ATOM 820 CB ALA A 53 36.676 -16.696 -9.598 1.00 0.00 C ATOM 0 H ALA A 53 37.110 -14.581 -10.772 1.00 0.00 H new ATOM 0 HA ALA A 53 35.272 -15.295 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.402 -17.492 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.118 -16.815 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.744 -16.749 -9.807 1.00 0.00 H new ATOM 826 N ARG A 54 38.280 -14.675 -7.677 1.00 0.00 N ATOM 827 CA ARG A 54 39.066 -14.476 -6.465 1.00 0.00 C ATOM 828 C ARG A 54 38.593 -13.239 -5.707 1.00 0.00 C ATOM 829 O ARG A 54 38.756 -13.145 -4.490 1.00 0.00 O ATOM 830 CB ARG A 54 40.550 -14.339 -6.811 1.00 0.00 C ATOM 831 CG ARG A 54 41.230 -15.665 -7.111 1.00 0.00 C ATOM 832 CD ARG A 54 42.473 -15.473 -7.966 1.00 0.00 C ATOM 833 NE ARG A 54 43.317 -16.665 -7.981 1.00 0.00 N ATOM 834 CZ ARG A 54 44.464 -16.745 -8.646 1.00 0.00 C ATOM 835 NH1 ARG A 54 44.901 -15.708 -9.347 1.00 0.00 N ATOM 836 NH2 ARG A 54 45.176 -17.864 -8.610 1.00 0.00 N ATOM 0 H ARG A 54 38.749 -14.387 -8.536 1.00 0.00 H new ATOM 0 HA ARG A 54 38.928 -15.348 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.654 -13.683 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.065 -13.856 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 54 41.502 -16.155 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.532 -16.325 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 42.177 -15.226 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.047 -14.627 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 54 43.009 -17.481 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 44.356 -14.846 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 54 45.782 -15.772 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 54 44.843 -18.664 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 54 46.057 -17.925 -9.121 1.00 0.00 H new ATOM 850 N PHE A 55 38.009 -12.293 -6.434 1.00 0.00 N ATOM 851 CA PHE A 55 37.514 -11.061 -5.831 1.00 0.00 C ATOM 852 C PHE A 55 36.128 -11.270 -5.226 1.00 0.00 C ATOM 853 O PHE A 55 35.810 -10.722 -4.170 1.00 0.00 O ATOM 854 CB PHE A 55 37.465 -9.942 -6.873 1.00 0.00 C ATOM 855 CG PHE A 55 37.430 -8.566 -6.273 1.00 0.00 C ATOM 856 CD1 PHE A 55 38.406 -8.161 -5.377 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.420 -7.676 -6.604 1.00 0.00 C ATOM 858 CE1 PHE A 55 38.378 -6.895 -4.823 1.00 0.00 C ATOM 859 CE2 PHE A 55 36.387 -6.409 -6.054 1.00 0.00 C ATOM 860 CZ PHE A 55 37.366 -6.018 -5.161 1.00 0.00 C ATOM 0 H PHE A 55 37.867 -12.356 -7.442 1.00 0.00 H new ATOM 0 HA PHE A 55 38.200 -10.775 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.336 -10.024 -7.524 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.584 -10.079 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.199 -8.843 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 55 35.650 -7.976 -7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.146 -6.592 -4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 55 35.596 -5.724 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 55 37.340 -5.029 -4.728 1.00 0.00 H new ATOM 989 N MET B 1 32.243 -11.126 -28.152 1.00 0.00 N ATOM 990 CA MET B 1 31.888 -10.785 -26.780 1.00 0.00 C ATOM 991 C MET B 1 31.595 -12.042 -25.966 1.00 0.00 C ATOM 992 O MET B 1 30.726 -12.838 -26.325 1.00 0.00 O ATOM 993 CB MET B 1 30.672 -9.857 -26.760 1.00 0.00 C ATOM 994 CG MET B 1 30.918 -8.519 -27.439 1.00 0.00 C ATOM 995 SD MET B 1 30.646 -7.119 -26.336 1.00 0.00 S ATOM 996 CE MET B 1 31.743 -7.538 -24.982 1.00 0.00 C ATOM 0 H1 MET B 1 32.754 -10.331 -28.586 1.00 0.00 H new ATOM 0 H2 MET B 1 32.850 -11.971 -28.154 1.00 0.00 H new ATOM 0 H3 MET B 1 31.378 -11.320 -28.696 1.00 0.00 H new ATOM 0 HA MET B 1 32.737 -10.270 -26.329 1.00 0.00 H new ATOM 0 HB2 MET B 1 29.836 -10.356 -27.250 1.00 0.00 H new ATOM 0 HB3 MET B 1 30.376 -9.681 -25.726 1.00 0.00 H new ATOM 0 HG2 MET B 1 31.942 -8.488 -27.813 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.260 -8.428 -28.303 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.189 -6.628 -24.580 1.00 0.00 H new ATOM 0 HE2 MET B 1 31.177 -8.042 -24.198 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.531 -8.199 -25.343 1.00 0.00 H new ATOM 1006 N LEU B 2 32.326 -12.215 -24.870 1.00 0.00 N ATOM 1007 CA LEU B 2 32.145 -13.376 -24.006 1.00 0.00 C ATOM 1008 C LEU B 2 31.747 -12.949 -22.597 1.00 0.00 C ATOM 1009 O LEU B 2 32.452 -12.175 -21.950 1.00 0.00 O ATOM 1010 CB LEU B 2 33.430 -14.205 -23.956 1.00 0.00 C ATOM 1011 CG LEU B 2 33.385 -15.460 -23.084 1.00 0.00 C ATOM 1012 CD1 LEU B 2 32.175 -16.312 -23.435 1.00 0.00 C ATOM 1013 CD2 LEU B 2 34.668 -16.264 -23.240 1.00 0.00 C ATOM 0 H LEU B 2 33.049 -11.566 -24.559 1.00 0.00 H new ATOM 0 HA LEU B 2 31.343 -13.986 -24.422 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.687 -14.502 -24.973 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.237 -13.566 -23.597 1.00 0.00 H new ATOM 0 HG LEU B 2 33.297 -15.152 -22.042 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.160 -17.201 -22.804 1.00 0.00 H new ATOM 0 HD12 LEU B 2 31.264 -15.736 -23.271 1.00 0.00 H new ATOM 0 HD13 LEU B 2 32.232 -16.611 -24.482 1.00 0.00 H new ATOM 0 HD21 LEU B 2 34.618 -17.154 -22.612 1.00 0.00 H new ATOM 0 HD22 LEU B 2 34.787 -16.561 -24.282 1.00 0.00 H new ATOM 0 HD23 LEU B 2 35.519 -15.654 -22.938 1.00 0.00 H new ATOM 1025 N MET B 3 30.613 -13.460 -22.127 1.00 0.00 N ATOM 1026 CA MET B 3 30.123 -13.134 -20.793 1.00 0.00 C ATOM 1027 C MET B 3 31.160 -13.488 -19.731 1.00 0.00 C ATOM 1028 O MET B 3 31.669 -14.608 -19.698 1.00 0.00 O ATOM 1029 CB MET B 3 28.815 -13.874 -20.511 1.00 0.00 C ATOM 1030 CG MET B 3 27.826 -13.068 -19.684 1.00 0.00 C ATOM 1031 SD MET B 3 26.834 -14.101 -18.587 1.00 0.00 S ATOM 1032 CE MET B 3 26.387 -12.916 -17.321 1.00 0.00 C ATOM 0 H MET B 3 30.017 -14.101 -22.650 1.00 0.00 H new ATOM 0 HA MET B 3 29.940 -12.060 -20.754 1.00 0.00 H new ATOM 0 HB2 MET B 3 28.349 -14.144 -21.458 1.00 0.00 H new ATOM 0 HB3 MET B 3 29.039 -14.804 -19.989 1.00 0.00 H new ATOM 0 HG2 MET B 3 28.369 -12.332 -19.091 1.00 0.00 H new ATOM 0 HG3 MET B 3 27.165 -12.515 -20.352 1.00 0.00 H new ATOM 0 HE1 MET B 3 26.718 -13.280 -16.348 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.866 -11.960 -17.532 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.305 -12.786 -17.311 1.00 0.00 H new ATOM 1042 N ILE B 4 31.468 -12.527 -18.867 1.00 0.00 N ATOM 1043 CA ILE B 4 32.443 -12.739 -17.804 1.00 0.00 C ATOM 1044 C ILE B 4 31.773 -13.272 -16.542 1.00 0.00 C ATOM 1045 O ILE B 4 32.265 -14.209 -15.912 1.00 0.00 O ATOM 1046 CB ILE B 4 33.196 -11.439 -17.464 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.030 -10.979 -18.660 1.00 0.00 C ATOM 1048 CG2 ILE B 4 34.079 -11.644 -16.242 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.966 -12.043 -19.189 1.00 0.00 C ATOM 0 H ILE B 4 31.057 -11.594 -18.882 1.00 0.00 H new ATOM 0 HA ILE B 4 33.157 -13.476 -18.172 1.00 0.00 H new ATOM 0 HB ILE B 4 32.466 -10.662 -17.235 1.00 0.00 H new ATOM 0 HG12 ILE B 4 33.360 -10.665 -19.461 1.00 0.00 H new ATOM 0 HG13 ILE B 4 34.613 -10.105 -18.371 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.605 -10.717 -16.014 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.461 -11.930 -15.391 1.00 0.00 H new ATOM 0 HG23 ILE B 4 34.804 -12.432 -16.445 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.525 -11.647 -20.036 1.00 0.00 H new ATOM 0 HD12 ILE B 4 35.660 -12.340 -18.403 1.00 0.00 H new ATOM 0 HD13 ILE B 4 34.388 -12.910 -19.509 1.00 0.00 H new ATOM 1061 N THR B 5 30.646 -12.669 -16.177 1.00 0.00 N ATOM 1062 CA THR B 5 29.908 -13.082 -14.991 1.00 0.00 C ATOM 1063 C THR B 5 28.604 -12.303 -14.855 1.00 0.00 C ATOM 1064 O THR B 5 28.282 -11.463 -15.694 1.00 0.00 O ATOM 1065 CB THR B 5 30.744 -12.887 -13.712 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.121 -13.559 -12.612 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.901 -11.409 -13.388 1.00 0.00 C ATOM 0 H THR B 5 30.225 -11.892 -16.687 1.00 0.00 H new ATOM 0 HA THR B 5 29.684 -14.142 -15.112 1.00 0.00 H new ATOM 0 HB THR B 5 31.733 -13.312 -13.883 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.455 -13.187 -11.769 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.495 -11.296 -12.481 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.403 -10.907 -14.215 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.918 -10.963 -13.236 1.00 0.00 H new ATOM 1075 N SER B 6 27.858 -12.588 -13.793 1.00 0.00 N ATOM 1076 CA SER B 6 26.587 -11.916 -13.549 1.00 0.00 C ATOM 1077 C SER B 6 26.488 -11.451 -12.099 1.00 0.00 C ATOM 1078 O SER B 6 26.884 -12.165 -11.177 1.00 0.00 O ATOM 1079 CB SER B 6 25.421 -12.850 -13.877 1.00 0.00 C ATOM 1080 OG SER B 6 25.627 -14.138 -13.323 1.00 0.00 O ATOM 0 H SER B 6 28.112 -13.280 -13.088 1.00 0.00 H new ATOM 0 HA SER B 6 26.536 -11.041 -14.197 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.493 -12.428 -13.490 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.308 -12.930 -14.958 1.00 0.00 H new ATOM 0 HG SER B 6 24.867 -14.715 -13.546 1.00 0.00 H new ATOM 1086 N PHE B 7 25.957 -10.248 -11.906 1.00 0.00 N ATOM 1087 CA PHE B 7 25.806 -9.685 -10.569 1.00 0.00 C ATOM 1088 C PHE B 7 24.407 -9.107 -10.377 1.00 0.00 C ATOM 1089 O PHE B 7 23.698 -8.835 -11.346 1.00 0.00 O ATOM 1090 CB PHE B 7 26.856 -8.599 -10.328 1.00 0.00 C ATOM 1091 CG PHE B 7 28.265 -9.120 -10.316 1.00 0.00 C ATOM 1092 CD1 PHE B 7 28.585 -10.275 -9.620 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.269 -8.455 -11.000 1.00 0.00 C ATOM 1094 CE1 PHE B 7 29.880 -10.757 -9.607 1.00 0.00 C ATOM 1095 CE2 PHE B 7 30.566 -8.933 -10.991 1.00 0.00 C ATOM 1096 CZ PHE B 7 30.872 -10.084 -10.293 1.00 0.00 C ATOM 0 H PHE B 7 25.624 -9.645 -12.658 1.00 0.00 H new ATOM 0 HA PHE B 7 25.951 -10.488 -9.846 1.00 0.00 H new ATOM 0 HB2 PHE B 7 26.765 -7.838 -11.103 1.00 0.00 H new ATOM 0 HB3 PHE B 7 26.650 -8.110 -9.376 1.00 0.00 H new ATOM 0 HD1 PHE B 7 27.813 -10.805 -9.081 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.036 -7.553 -11.546 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.116 -11.659 -9.061 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.340 -8.406 -11.530 1.00 0.00 H new ATOM 0 HZ PHE B 7 31.885 -10.458 -10.283 1.00 0.00 H new ATOM 1106 N ALA B 8 24.016 -8.922 -9.120 1.00 0.00 N ATOM 1107 CA ALA B 8 22.704 -8.375 -8.800 1.00 0.00 C ATOM 1108 C ALA B 8 22.826 -7.118 -7.946 1.00 0.00 C ATOM 1109 O ALA B 8 21.999 -6.868 -7.071 1.00 0.00 O ATOM 1110 CB ALA B 8 21.856 -9.419 -8.088 1.00 0.00 C ATOM 0 H ALA B 8 24.590 -9.143 -8.307 1.00 0.00 H new ATOM 0 HA ALA B 8 22.215 -8.101 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA B 8 20.879 -8.997 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA B 8 21.731 -10.288 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA B 8 22.350 -9.721 -7.165 1.00 0.00 H new ATOM 1116 N ASN B 9 23.865 -6.330 -8.206 1.00 0.00 N ATOM 1117 CA ASN B 9 24.096 -5.099 -7.459 1.00 0.00 C ATOM 1118 C ASN B 9 24.959 -4.130 -8.261 1.00 0.00 C ATOM 1119 O ASN B 9 25.911 -4.522 -8.936 1.00 0.00 O ATOM 1120 CB ASN B 9 24.767 -5.409 -6.119 1.00 0.00 C ATOM 1121 CG ASN B 9 23.810 -5.281 -4.950 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.001 -4.355 -4.894 1.00 0.00 O ATOM 1123 ND2 ASN B 9 23.899 -6.213 -4.008 1.00 0.00 N ATOM 0 H ASN B 9 24.560 -6.522 -8.928 1.00 0.00 H new ATOM 0 HA ASN B 9 23.130 -4.629 -7.274 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.172 -6.421 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN B 9 25.609 -4.732 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.281 -6.179 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN B 9 24.585 -6.963 -4.096 1.00 0.00 H new ATOM 1130 N PRO B 10 24.621 -2.835 -8.186 1.00 0.00 N ATOM 1131 CA PRO B 10 25.353 -1.783 -8.897 1.00 0.00 C ATOM 1132 C PRO B 10 26.746 -1.554 -8.320 1.00 0.00 C ATOM 1133 O PRO B 10 27.732 -1.499 -9.055 1.00 0.00 O ATOM 1134 CB PRO B 10 24.479 -0.542 -8.693 1.00 0.00 C ATOM 1135 CG PRO B 10 23.728 -0.811 -7.435 1.00 0.00 C ATOM 1136 CD PRO B 10 23.498 -2.297 -7.399 1.00 0.00 C ATOM 0 HA PRO B 10 25.518 -2.038 -9.944 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.085 0.360 -8.607 1.00 0.00 H new ATOM 0 HB3 PRO B 10 23.802 -0.392 -9.534 1.00 0.00 H new ATOM 0 HG2 PRO B 10 24.295 -0.483 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO B 10 22.782 -0.269 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO B 10 23.503 -2.680 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO B 10 22.536 -2.566 -7.836 1.00 0.00 H new ATOM 1144 N ARG B 11 26.819 -1.420 -6.999 1.00 0.00 N ATOM 1145 CA ARG B 11 28.092 -1.196 -6.324 1.00 0.00 C ATOM 1146 C ARG B 11 29.116 -2.251 -6.731 1.00 0.00 C ATOM 1147 O ARG B 11 30.264 -1.930 -7.041 1.00 0.00 O ATOM 1148 CB ARG B 11 27.898 -1.217 -4.806 1.00 0.00 C ATOM 1149 CG ARG B 11 29.201 -1.297 -4.027 1.00 0.00 C ATOM 1150 CD ARG B 11 28.951 -1.365 -2.529 1.00 0.00 C ATOM 1151 NE ARG B 11 28.087 -0.281 -2.069 1.00 0.00 N ATOM 1152 CZ ARG B 11 27.555 -0.231 -0.853 1.00 0.00 C ATOM 1153 NH1 ARG B 11 27.796 -1.200 0.020 1.00 0.00 N ATOM 1154 NH2 ARG B 11 26.779 0.788 -0.508 1.00 0.00 N ATOM 0 H ARG B 11 26.012 -1.463 -6.376 1.00 0.00 H new ATOM 0 HA ARG B 11 28.466 -0.217 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG B 11 27.359 -0.319 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG B 11 27.272 -2.069 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG B 11 29.762 -2.176 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG B 11 29.817 -0.427 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG B 11 28.494 -2.323 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG B 11 29.903 -1.319 -2.000 1.00 0.00 H new ATOM 0 HE ARG B 11 27.881 0.479 -2.717 1.00 0.00 H new ATOM 0 HH11 ARG B 11 28.391 -1.986 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG B 11 27.386 -1.159 0.953 1.00 0.00 H new ATOM 0 HH21 ARG B 11 26.590 1.535 -1.177 1.00 0.00 H new ATOM 0 HH22 ARG B 11 26.371 0.825 0.426 1.00 0.00 H new ATOM 1168 N VAL B 12 28.694 -3.511 -6.728 1.00 0.00 N ATOM 1169 CA VAL B 12 29.574 -4.614 -7.097 1.00 0.00 C ATOM 1170 C VAL B 12 29.951 -4.545 -8.573 1.00 0.00 C ATOM 1171 O VAL B 12 31.131 -4.535 -8.923 1.00 0.00 O ATOM 1172 CB VAL B 12 28.918 -5.977 -6.809 1.00 0.00 C ATOM 1173 CG1 VAL B 12 29.765 -7.107 -7.374 1.00 0.00 C ATOM 1174 CG2 VAL B 12 28.701 -6.158 -5.314 1.00 0.00 C ATOM 0 H VAL B 12 27.748 -3.794 -6.474 1.00 0.00 H new ATOM 0 HA VAL B 12 30.474 -4.518 -6.490 1.00 0.00 H new ATOM 0 HB VAL B 12 27.945 -6.004 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.286 -8.063 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL B 12 29.864 -6.983 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL B 12 30.753 -7.086 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.237 -7.126 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL B 12 29.660 -6.111 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.050 -5.366 -4.942 1.00 0.00 H new ATOM 1184 N ALA B 13 28.941 -4.496 -9.434 1.00 0.00 N ATOM 1185 CA ALA B 13 29.166 -4.426 -10.873 1.00 0.00 C ATOM 1186 C ALA B 13 30.178 -3.338 -11.217 1.00 0.00 C ATOM 1187 O ALA B 13 31.229 -3.617 -11.793 1.00 0.00 O ATOM 1188 CB ALA B 13 27.853 -4.178 -11.601 1.00 0.00 C ATOM 0 H ALA B 13 27.958 -4.503 -9.161 1.00 0.00 H new ATOM 0 HA ALA B 13 29.574 -5.382 -11.200 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.036 -4.128 -12.674 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.160 -4.992 -11.389 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.421 -3.236 -11.262 1.00 0.00 H new ATOM 1194 N GLN B 14 29.852 -2.100 -10.862 1.00 0.00 N ATOM 1195 CA GLN B 14 30.733 -0.970 -11.136 1.00 0.00 C ATOM 1196 C GLN B 14 32.108 -1.190 -10.514 1.00 0.00 C ATOM 1197 O GLN B 14 33.134 -0.949 -11.150 1.00 0.00 O ATOM 1198 CB GLN B 14 30.119 0.324 -10.601 1.00 0.00 C ATOM 1199 CG GLN B 14 31.068 1.511 -10.643 1.00 0.00 C ATOM 1200 CD GLN B 14 31.555 1.820 -12.045 1.00 0.00 C ATOM 1201 OE1 GLN B 14 30.839 1.607 -13.024 1.00 0.00 O ATOM 1202 NE2 GLN B 14 32.779 2.325 -12.149 1.00 0.00 N ATOM 0 H GLN B 14 28.985 -1.853 -10.384 1.00 0.00 H new ATOM 0 HA GLN B 14 30.852 -0.887 -12.216 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.228 0.561 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN B 14 29.795 0.165 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN B 14 30.565 2.388 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN B 14 31.925 1.309 -10.001 1.00 0.00 H new ATOM 0 HE21 GLN B 14 33.338 2.485 -11.311 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.160 2.553 -13.067 1.00 0.00 H new ATOM 1211 N ALA B 15 32.122 -1.648 -9.266 1.00 0.00 N ATOM 1212 CA ALA B 15 33.371 -1.901 -8.559 1.00 0.00 C ATOM 1213 C ALA B 15 34.258 -2.865 -9.339 1.00 0.00 C ATOM 1214 O ALA B 15 35.453 -2.623 -9.512 1.00 0.00 O ATOM 1215 CB ALA B 15 33.088 -2.450 -7.168 1.00 0.00 C ATOM 0 H ALA B 15 31.282 -1.851 -8.724 1.00 0.00 H new ATOM 0 HA ALA B 15 33.904 -0.955 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.030 -2.634 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA B 15 32.500 -1.726 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA B 15 32.531 -3.383 -7.252 1.00 0.00 H new ATOM 1221 N PHE B 16 33.666 -3.958 -9.809 1.00 0.00 N ATOM 1222 CA PHE B 16 34.404 -4.960 -10.570 1.00 0.00 C ATOM 1223 C PHE B 16 35.028 -4.343 -11.819 1.00 0.00 C ATOM 1224 O PHE B 16 36.242 -4.400 -12.013 1.00 0.00 O ATOM 1225 CB PHE B 16 33.480 -6.114 -10.964 1.00 0.00 C ATOM 1226 CG PHE B 16 33.538 -7.278 -10.017 1.00 0.00 C ATOM 1227 CD1 PHE B 16 34.546 -8.222 -10.120 1.00 0.00 C ATOM 1228 CD2 PHE B 16 32.583 -7.428 -9.025 1.00 0.00 C ATOM 1229 CE1 PHE B 16 34.602 -9.295 -9.250 1.00 0.00 C ATOM 1230 CE2 PHE B 16 32.634 -8.498 -8.152 1.00 0.00 C ATOM 1231 CZ PHE B 16 33.644 -9.433 -8.265 1.00 0.00 C ATOM 0 H PHE B 16 32.678 -4.173 -9.676 1.00 0.00 H new ATOM 0 HA PHE B 16 35.204 -5.344 -9.938 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.455 -5.747 -11.014 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.745 -6.456 -11.964 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.297 -8.119 -10.889 1.00 0.00 H new ATOM 0 HD2 PHE B 16 31.790 -6.701 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.394 -10.024 -9.341 1.00 0.00 H new ATOM 0 HE2 PHE B 16 31.884 -8.603 -7.382 1.00 0.00 H new ATOM 0 HZ PHE B 16 33.685 -10.271 -7.584 1.00 0.00 H new ATOM 1241 N VAL B 17 34.188 -3.754 -12.664 1.00 0.00 N ATOM 1242 CA VAL B 17 34.655 -3.126 -13.894 1.00 0.00 C ATOM 1243 C VAL B 17 35.616 -1.981 -13.595 1.00 0.00 C ATOM 1244 O VAL B 17 36.435 -1.609 -14.436 1.00 0.00 O ATOM 1245 CB VAL B 17 33.479 -2.589 -14.732 1.00 0.00 C ATOM 1246 CG1 VAL B 17 32.590 -3.732 -15.197 1.00 0.00 C ATOM 1247 CG2 VAL B 17 32.680 -1.570 -13.935 1.00 0.00 C ATOM 0 H VAL B 17 33.180 -3.699 -12.519 1.00 0.00 H new ATOM 0 HA VAL B 17 35.176 -3.895 -14.464 1.00 0.00 H new ATOM 0 HB VAL B 17 33.880 -2.091 -15.615 1.00 0.00 H new ATOM 0 HG11 VAL B 17 31.765 -3.334 -15.787 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.173 -4.422 -15.807 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.194 -4.261 -14.330 1.00 0.00 H new ATOM 0 HG21 VAL B 17 31.853 -1.201 -14.542 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.287 -2.040 -13.034 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.326 -0.737 -13.657 1.00 0.00 H new ATOM 1257 N ASP B 18 35.512 -1.427 -12.393 1.00 0.00 N ATOM 1258 CA ASP B 18 36.373 -0.324 -11.982 1.00 0.00 C ATOM 1259 C ASP B 18 37.810 -0.800 -11.789 1.00 0.00 C ATOM 1260 O ASP B 18 38.728 -0.318 -12.452 1.00 0.00 O ATOM 1261 CB ASP B 18 35.853 0.303 -10.687 1.00 0.00 C ATOM 1262 CG ASP B 18 36.626 1.546 -10.295 1.00 0.00 C ATOM 1263 OD1 ASP B 18 36.812 2.428 -11.159 1.00 0.00 O ATOM 1264 OD2 ASP B 18 37.045 1.638 -9.122 1.00 0.00 O ATOM 0 H ASP B 18 34.840 -1.723 -11.685 1.00 0.00 H new ATOM 0 HA ASP B 18 36.360 0.428 -12.771 1.00 0.00 H new ATOM 0 HB2 ASP B 18 34.800 0.556 -10.807 1.00 0.00 H new ATOM 0 HB3 ASP B 18 35.915 -0.429 -9.882 1.00 0.00 H new ATOM 1269 N TYR B 19 37.997 -1.746 -10.876 1.00 0.00 N ATOM 1270 CA TYR B 19 39.322 -2.285 -10.593 1.00 0.00 C ATOM 1271 C TYR B 19 39.889 -3.004 -11.812 1.00 0.00 C ATOM 1272 O TYR B 19 41.104 -3.117 -11.970 1.00 0.00 O ATOM 1273 CB TYR B 19 39.262 -3.244 -9.402 1.00 0.00 C ATOM 1274 CG TYR B 19 39.210 -4.701 -9.801 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.375 -5.415 -10.053 1.00 0.00 C ATOM 1276 CD2 TYR B 19 37.996 -5.364 -9.928 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.333 -6.746 -10.418 1.00 0.00 C ATOM 1278 CE2 TYR B 19 37.944 -6.696 -10.291 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.115 -7.383 -10.536 1.00 0.00 C ATOM 1280 OH TYR B 19 39.067 -8.709 -10.899 1.00 0.00 O ATOM 0 H TYR B 19 37.247 -2.156 -10.319 1.00 0.00 H new ATOM 0 HA TYR B 19 39.980 -1.452 -10.347 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.135 -3.080 -8.770 1.00 0.00 H new ATOM 0 HB3 TYR B 19 38.384 -3.009 -8.801 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.331 -4.920 -9.962 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.077 -4.829 -9.740 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.249 -7.285 -10.610 1.00 0.00 H new ATOM 0 HE2 TYR B 19 36.992 -7.197 -10.382 1.00 0.00 H new ATOM 0 HH TYR B 19 38.133 -9.005 -10.935 1.00 0.00 H new ATOM 1290 N MET B 20 38.999 -3.489 -12.672 1.00 0.00 N ATOM 1291 CA MET B 20 39.411 -4.196 -13.879 1.00 0.00 C ATOM 1292 C MET B 20 39.944 -3.223 -14.925 1.00 0.00 C ATOM 1293 O MET B 20 40.979 -3.468 -15.544 1.00 0.00 O ATOM 1294 CB MET B 20 38.236 -4.990 -14.456 1.00 0.00 C ATOM 1295 CG MET B 20 38.035 -6.344 -13.796 1.00 0.00 C ATOM 1296 SD MET B 20 38.860 -7.679 -14.684 1.00 0.00 S ATOM 1297 CE MET B 20 40.519 -7.552 -14.022 1.00 0.00 C ATOM 0 H MET B 20 37.989 -3.405 -12.556 1.00 0.00 H new ATOM 0 HA MET B 20 40.211 -4.886 -13.610 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.324 -4.403 -14.348 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.396 -5.136 -15.524 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.412 -6.305 -12.774 1.00 0.00 H new ATOM 0 HG3 MET B 20 36.968 -6.559 -13.734 1.00 0.00 H new ATOM 0 HE1 MET B 20 40.922 -8.551 -13.855 1.00 0.00 H new ATOM 0 HE2 MET B 20 41.153 -7.019 -14.730 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.493 -7.009 -13.077 1.00 0.00 H new ATOM 1307 N ALA B 21 39.231 -2.118 -15.117 1.00 0.00 N ATOM 1308 CA ALA B 21 39.634 -1.107 -16.086 1.00 0.00 C ATOM 1309 C ALA B 21 40.954 -0.456 -15.684 1.00 0.00 C ATOM 1310 O ALA B 21 41.830 -0.235 -16.521 1.00 0.00 O ATOM 1311 CB ALA B 21 38.547 -0.053 -16.233 1.00 0.00 C ATOM 0 H ALA B 21 38.371 -1.900 -14.614 1.00 0.00 H new ATOM 0 HA ALA B 21 39.780 -1.599 -17.048 1.00 0.00 H new ATOM 0 HB1 ALA B 21 38.862 0.696 -16.960 1.00 0.00 H new ATOM 0 HB2 ALA B 21 37.626 -0.525 -16.574 1.00 0.00 H new ATOM 0 HB3 ALA B 21 38.373 0.427 -15.270 1.00 0.00 H new ATOM 1317 N THR B 22 41.089 -0.150 -14.398 1.00 0.00 N ATOM 1318 CA THR B 22 42.301 0.478 -13.885 1.00 0.00 C ATOM 1319 C THR B 22 43.476 -0.493 -13.912 1.00 0.00 C ATOM 1320 O THR B 22 44.628 -0.091 -13.745 1.00 0.00 O ATOM 1321 CB THR B 22 42.104 0.987 -12.445 1.00 0.00 C ATOM 1322 OG1 THR B 22 43.228 1.780 -12.047 1.00 0.00 O ATOM 1323 CG2 THR B 22 41.930 -0.176 -11.479 1.00 0.00 C ATOM 0 H THR B 22 40.374 -0.327 -13.692 1.00 0.00 H new ATOM 0 HA THR B 22 42.518 1.325 -14.535 1.00 0.00 H new ATOM 0 HB THR B 22 41.202 1.598 -12.420 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.030 1.469 -12.516 1.00 0.00 H new ATOM 0 HG21 THR B 22 41.792 0.208 -10.468 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.056 -0.761 -11.767 1.00 0.00 H new ATOM 0 HG23 THR B 22 42.816 -0.810 -11.509 1.00 0.00 H new ATOM 1331 N GLN B 23 43.178 -1.770 -14.125 1.00 0.00 N ATOM 1332 CA GLN B 23 44.212 -2.798 -14.175 1.00 0.00 C ATOM 1333 C GLN B 23 44.618 -3.093 -15.615 1.00 0.00 C ATOM 1334 O GLN B 23 45.527 -3.883 -15.864 1.00 0.00 O ATOM 1335 CB GLN B 23 43.720 -4.079 -13.498 1.00 0.00 C ATOM 1336 CG GLN B 23 43.930 -4.091 -11.993 1.00 0.00 C ATOM 1337 CD GLN B 23 45.382 -4.295 -11.608 1.00 0.00 C ATOM 1338 OE1 GLN B 23 45.830 -5.425 -11.408 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.126 -3.201 -11.502 1.00 0.00 N ATOM 0 H GLN B 23 42.230 -2.118 -14.266 1.00 0.00 H new ATOM 0 HA GLN B 23 45.086 -2.425 -13.640 1.00 0.00 H new ATOM 0 HB2 GLN B 23 42.658 -4.207 -13.709 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.237 -4.933 -13.935 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.576 -3.150 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.326 -4.884 -11.552 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.713 -2.285 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.110 -3.277 -11.246 1.00 0.00 H new ATOM 1348 N GLY B 24 43.937 -2.451 -16.560 1.00 0.00 N ATOM 1349 CA GLY B 24 44.242 -2.659 -17.963 1.00 0.00 C ATOM 1350 C GLY B 24 43.253 -3.588 -18.640 1.00 0.00 C ATOM 1351 O GLY B 24 43.524 -4.116 -19.719 1.00 0.00 O ATOM 0 H GLY B 24 43.180 -1.791 -16.379 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.244 -1.698 -18.478 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.246 -3.072 -18.056 1.00 0.00 H new ATOM 1355 N VAL B 25 42.103 -3.789 -18.005 1.00 0.00 N ATOM 1356 CA VAL B 25 41.070 -4.661 -18.552 1.00 0.00 C ATOM 1357 C VAL B 25 39.721 -3.953 -18.597 1.00 0.00 C ATOM 1358 O VAL B 25 39.126 -3.662 -17.559 1.00 0.00 O ATOM 1359 CB VAL B 25 40.932 -5.954 -17.725 1.00 0.00 C ATOM 1360 CG1 VAL B 25 39.868 -6.860 -18.326 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.269 -6.674 -17.636 1.00 0.00 C ATOM 0 H VAL B 25 41.863 -3.360 -17.111 1.00 0.00 H new ATOM 0 HA VAL B 25 41.376 -4.918 -19.566 1.00 0.00 H new ATOM 0 HB VAL B 25 40.621 -5.688 -16.715 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.784 -7.768 -17.729 1.00 0.00 H new ATOM 0 HG12 VAL B 25 38.910 -6.341 -18.333 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.147 -7.121 -19.347 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.153 -7.585 -17.049 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.612 -6.930 -18.639 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.001 -6.024 -17.157 1.00 0.00 H new ATOM 1371 N ILE B 26 39.243 -3.680 -19.807 1.00 0.00 N ATOM 1372 CA ILE B 26 37.962 -3.008 -19.988 1.00 0.00 C ATOM 1373 C ILE B 26 36.806 -3.999 -19.912 1.00 0.00 C ATOM 1374 O ILE B 26 36.781 -4.998 -20.632 1.00 0.00 O ATOM 1375 CB ILE B 26 37.901 -2.267 -21.336 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.008 -1.213 -21.414 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.535 -1.623 -21.526 1.00 0.00 C ATOM 1378 CD1 ILE B 26 38.947 -0.189 -20.302 1.00 0.00 C ATOM 0 H ILE B 26 39.723 -3.914 -20.676 1.00 0.00 H new ATOM 0 HA ILE B 26 37.869 -2.283 -19.180 1.00 0.00 H new ATOM 0 HB ILE B 26 38.055 -2.989 -22.138 1.00 0.00 H new ATOM 0 HG12 ILE B 26 39.977 -1.712 -21.384 1.00 0.00 H new ATOM 0 HG13 ILE B 26 38.943 -0.700 -22.373 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.508 -1.103 -22.484 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.764 -2.393 -21.509 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.353 -0.911 -20.721 1.00 0.00 H new ATOM 0 HD11 ILE B 26 39.761 0.526 -20.421 1.00 0.00 H new ATOM 0 HD12 ILE B 26 37.993 0.337 -20.344 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.043 -0.691 -19.339 1.00 0.00 H new ATOM 1390 N LEU B 27 35.847 -3.715 -19.037 1.00 0.00 N ATOM 1391 CA LEU B 27 34.685 -4.580 -18.868 1.00 0.00 C ATOM 1392 C LEU B 27 33.392 -3.810 -19.117 1.00 0.00 C ATOM 1393 O LEU B 27 33.379 -2.579 -19.112 1.00 0.00 O ATOM 1394 CB LEU B 27 34.671 -5.180 -17.461 1.00 0.00 C ATOM 1395 CG LEU B 27 35.368 -6.532 -17.301 1.00 0.00 C ATOM 1396 CD1 LEU B 27 34.403 -7.669 -17.601 1.00 0.00 C ATOM 1397 CD2 LEU B 27 36.588 -6.613 -18.207 1.00 0.00 C ATOM 0 H LEU B 27 35.852 -2.892 -18.434 1.00 0.00 H new ATOM 0 HA LEU B 27 34.754 -5.385 -19.599 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.139 -4.469 -16.780 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.634 -5.289 -17.144 1.00 0.00 H new ATOM 0 HG LEU B 27 35.700 -6.628 -16.267 1.00 0.00 H new ATOM 0 HD11 LEU B 27 34.917 -8.623 -17.482 1.00 0.00 H new ATOM 0 HD12 LEU B 27 33.560 -7.622 -16.912 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.040 -7.578 -18.625 1.00 0.00 H new ATOM 0 HD21 LEU B 27 37.072 -7.582 -18.080 1.00 0.00 H new ATOM 0 HD22 LEU B 27 36.278 -6.495 -19.245 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.289 -5.820 -17.945 1.00 0.00 H new ATOM 1409 N THR B 28 32.304 -4.543 -19.333 1.00 0.00 N ATOM 1410 CA THR B 28 31.006 -3.930 -19.582 1.00 0.00 C ATOM 1411 C THR B 28 29.945 -4.485 -18.638 1.00 0.00 C ATOM 1412 O THR B 28 29.993 -5.654 -18.255 1.00 0.00 O ATOM 1413 CB THR B 28 30.549 -4.153 -21.036 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.629 -4.683 -21.813 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.064 -2.851 -21.657 1.00 0.00 C ATOM 0 H THR B 28 32.297 -5.563 -19.340 1.00 0.00 H new ATOM 0 HA THR B 28 31.123 -2.861 -19.405 1.00 0.00 H new ATOM 0 HB THR B 28 29.723 -4.864 -21.028 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.831 -5.594 -21.513 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.747 -3.034 -22.684 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.224 -2.464 -21.081 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.874 -2.122 -21.652 1.00 0.00 H new ATOM 1423 N ILE B 29 28.989 -3.640 -18.268 1.00 0.00 N ATOM 1424 CA ILE B 29 27.916 -4.047 -17.370 1.00 0.00 C ATOM 1425 C ILE B 29 26.549 -3.783 -17.992 1.00 0.00 C ATOM 1426 O ILE B 29 26.361 -2.798 -18.706 1.00 0.00 O ATOM 1427 CB ILE B 29 28.003 -3.313 -16.019 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.312 -3.662 -15.307 1.00 0.00 C ATOM 1429 CG2 ILE B 29 26.808 -3.667 -15.146 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.410 -5.117 -14.903 1.00 0.00 C ATOM 0 H ILE B 29 28.936 -2.669 -18.576 1.00 0.00 H new ATOM 0 HA ILE B 29 28.035 -5.117 -17.201 1.00 0.00 H new ATOM 0 HB ILE B 29 27.988 -2.239 -16.204 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.149 -3.418 -15.962 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.410 -3.039 -14.418 1.00 0.00 H new ATOM 0 HG21 ILE B 29 26.884 -3.141 -14.195 1.00 0.00 H new ATOM 0 HG22 ILE B 29 25.888 -3.373 -15.651 1.00 0.00 H new ATOM 0 HG23 ILE B 29 26.795 -4.742 -14.966 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.363 -5.293 -14.404 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.594 -5.362 -14.223 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.344 -5.746 -15.791 1.00 0.00 H new ATOM 1442 N GLN B 30 25.597 -4.669 -17.714 1.00 0.00 N ATOM 1443 CA GLN B 30 24.247 -4.530 -18.246 1.00 0.00 C ATOM 1444 C GLN B 30 23.217 -4.519 -17.121 1.00 0.00 C ATOM 1445 O GLN B 30 22.896 -5.562 -16.552 1.00 0.00 O ATOM 1446 CB GLN B 30 23.941 -5.667 -19.222 1.00 0.00 C ATOM 1447 CG GLN B 30 24.087 -5.272 -20.682 1.00 0.00 C ATOM 1448 CD GLN B 30 22.785 -5.381 -21.450 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.439 -6.446 -21.961 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.053 -4.276 -21.535 1.00 0.00 N ATOM 0 H GLN B 30 25.736 -5.489 -17.124 1.00 0.00 H new ATOM 0 HA GLN B 30 24.189 -3.580 -18.777 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.607 -6.504 -19.012 1.00 0.00 H new ATOM 0 HB3 GLN B 30 22.924 -6.019 -19.049 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.455 -4.248 -20.742 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.836 -5.908 -21.153 1.00 0.00 H new ATOM 0 HE21 GLN B 30 22.378 -3.414 -21.096 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.166 -4.289 -22.039 1.00 0.00 H new ATOM 1459 N GLN B 31 22.704 -3.334 -16.806 1.00 0.00 N ATOM 1460 CA GLN B 31 21.712 -3.189 -15.747 1.00 0.00 C ATOM 1461 C GLN B 31 20.306 -3.437 -16.282 1.00 0.00 C ATOM 1462 O GLN B 31 19.638 -2.517 -16.755 1.00 0.00 O ATOM 1463 CB GLN B 31 21.796 -1.792 -15.129 1.00 0.00 C ATOM 1464 CG GLN B 31 22.146 -1.801 -13.650 1.00 0.00 C ATOM 1465 CD GLN B 31 21.563 -0.618 -12.905 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.197 0.392 -13.508 1.00 0.00 O ATOM 1467 NE2 GLN B 31 21.472 -0.735 -11.585 1.00 0.00 N ATOM 0 H GLN B 31 22.959 -2.461 -17.268 1.00 0.00 H new ATOM 0 HA GLN B 31 21.925 -3.932 -14.979 1.00 0.00 H new ATOM 0 HB2 GLN B 31 22.544 -1.210 -15.667 1.00 0.00 H new ATOM 0 HB3 GLN B 31 20.840 -1.286 -15.265 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.781 -2.724 -13.200 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.230 -1.798 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN B 31 21.787 -1.590 -11.126 1.00 0.00 H new ATOM 0 HE22 GLN B 31 21.087 0.030 -11.031 1.00 0.00 H new ATOM 1524 N SER B 35 10.249 -3.216 -14.976 1.00 0.00 N ATOM 1525 CA SER B 35 9.285 -2.721 -13.999 1.00 0.00 C ATOM 1526 C SER B 35 7.999 -3.542 -14.041 1.00 0.00 C ATOM 1527 O SER B 35 7.128 -3.308 -14.878 1.00 0.00 O ATOM 1528 CB SER B 35 8.972 -1.247 -14.263 1.00 0.00 C ATOM 1529 OG SER B 35 10.161 -0.498 -14.446 1.00 0.00 O ATOM 0 HA SER B 35 9.726 -2.819 -13.007 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.343 -1.159 -15.149 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.405 -0.837 -13.427 1.00 0.00 H new ATOM 0 HG SER B 35 10.887 -1.098 -14.719 1.00 0.00 H new ATOM 1535 N ASP B 36 7.889 -4.503 -13.131 1.00 0.00 N ATOM 1536 CA ASP B 36 6.710 -5.359 -13.062 1.00 0.00 C ATOM 1537 C ASP B 36 5.630 -4.726 -12.190 1.00 0.00 C ATOM 1538 O ASP B 36 5.884 -4.344 -11.048 1.00 0.00 O ATOM 1539 CB ASP B 36 7.085 -6.736 -12.511 1.00 0.00 C ATOM 1540 CG ASP B 36 7.957 -7.524 -13.468 1.00 0.00 C ATOM 1541 OD1 ASP B 36 8.436 -6.933 -14.459 1.00 0.00 O ATOM 1542 OD2 ASP B 36 8.162 -8.731 -13.226 1.00 0.00 O ATOM 0 H ASP B 36 8.602 -4.709 -12.431 1.00 0.00 H new ATOM 0 HA ASP B 36 6.316 -5.475 -14.072 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.609 -6.614 -11.563 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.176 -7.301 -12.303 1.00 0.00 H new ATOM 1547 N VAL B 37 4.424 -4.616 -12.738 1.00 0.00 N ATOM 1548 CA VAL B 37 3.304 -4.029 -12.011 1.00 0.00 C ATOM 1549 C VAL B 37 2.404 -5.109 -11.423 1.00 0.00 C ATOM 1550 O VAL B 37 1.890 -5.963 -12.145 1.00 0.00 O ATOM 1551 CB VAL B 37 2.463 -3.113 -12.920 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.513 -2.264 -12.090 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.366 -2.237 -13.776 1.00 0.00 C ATOM 0 H VAL B 37 4.197 -4.926 -13.683 1.00 0.00 H new ATOM 0 HA VAL B 37 3.728 -3.434 -11.202 1.00 0.00 H new ATOM 0 HB VAL B 37 1.867 -3.738 -13.585 1.00 0.00 H new ATOM 0 HG11 VAL B 37 0.927 -1.623 -12.749 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.843 -2.913 -11.526 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.087 -1.646 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.755 -1.596 -14.412 1.00 0.00 H new ATOM 0 HG22 VAL B 37 3.990 -1.619 -13.131 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.000 -2.868 -14.399 1.00 0.00 H new ATOM 1563 N TRP B 38 2.217 -5.065 -10.109 1.00 0.00 N ATOM 1564 CA TRP B 38 1.378 -6.041 -9.423 1.00 0.00 C ATOM 1565 C TRP B 38 0.397 -5.349 -8.482 1.00 0.00 C ATOM 1566 O TRP B 38 0.711 -4.313 -7.895 1.00 0.00 O ATOM 1567 CB TRP B 38 2.244 -7.029 -8.641 1.00 0.00 C ATOM 1568 CG TRP B 38 3.597 -6.486 -8.291 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.573 -6.097 -9.163 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.122 -6.276 -6.977 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.674 -5.656 -8.469 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.423 -5.755 -7.126 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.620 -6.474 -5.687 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.225 -5.433 -6.035 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.418 -6.154 -4.606 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.708 -5.637 -4.784 1.00 0.00 C ATOM 0 H TRP B 38 2.635 -4.364 -9.497 1.00 0.00 H new ATOM 0 HA TRP B 38 0.808 -6.586 -10.175 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.725 -7.310 -7.725 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.366 -7.938 -9.229 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.492 -6.131 -10.239 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.538 -5.311 -8.886 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.626 -6.870 -5.539 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.220 -5.036 -6.171 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.041 -6.305 -3.605 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.306 -5.395 -3.918 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.790 -5.929 -8.342 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.817 -5.368 -7.471 1.00 0.00 C ATOM 1589 C LEU B 39 -2.194 -6.353 -6.369 1.00 0.00 C ATOM 1590 O LEU B 39 -2.077 -7.566 -6.541 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.057 -4.996 -8.285 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.290 -4.585 -7.481 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.047 -3.262 -6.771 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.511 -4.491 -8.385 1.00 0.00 C ATOM 0 H LEU B 39 -1.065 -6.787 -8.820 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.413 -4.469 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.795 -4.177 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.324 -5.847 -8.912 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.480 -5.349 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.935 -2.985 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.200 -3.363 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.831 -2.488 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.379 -4.197 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.332 -3.748 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.697 -5.461 -8.847 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.649 -5.822 -5.239 1.00 0.00 N ATOM 1607 CA ALA B 40 -3.048 -6.655 -4.111 1.00 0.00 C ATOM 1608 C ALA B 40 -4.563 -6.818 -4.057 1.00 0.00 C ATOM 1609 O ALA B 40 -5.071 -7.851 -3.621 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.533 -6.061 -2.808 1.00 0.00 C ATOM 0 H ALA B 40 -2.750 -4.820 -5.080 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.607 -7.643 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.838 -6.693 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.445 -6.003 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.946 -5.061 -2.676 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.280 -5.792 -4.502 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.738 -5.821 -4.505 1.00 0.00 C ATOM 1618 C ASP B 41 -7.266 -6.428 -5.801 1.00 0.00 C ATOM 1619 O ASP B 41 -7.531 -5.715 -6.768 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.298 -4.410 -4.322 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.800 -4.406 -4.116 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.417 -5.487 -4.218 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.359 -3.321 -3.851 1.00 0.00 O ATOM 0 H ASP B 41 -4.875 -4.929 -4.866 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.067 -6.444 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.815 -3.939 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.053 -3.808 -5.197 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.416 -7.749 -5.812 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.911 -8.451 -6.991 1.00 0.00 C ATOM 1630 C GLU B 42 -9.174 -7.785 -7.530 1.00 0.00 C ATOM 1631 O GLU B 42 -9.344 -7.640 -8.741 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.197 -9.916 -6.657 1.00 0.00 C ATOM 1633 CG GLU B 42 -6.948 -10.728 -6.360 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.263 -12.137 -5.897 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -7.906 -12.883 -6.663 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -6.866 -12.492 -4.767 1.00 0.00 O ATOM 0 H GLU B 42 -7.202 -8.354 -5.019 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.140 -8.405 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.862 -9.960 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.727 -10.373 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.328 -10.774 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.363 -10.220 -5.593 1.00 0.00 H new ATOM 1643 N SER B 43 -10.058 -7.382 -6.622 1.00 0.00 N ATOM 1644 CA SER B 43 -11.307 -6.736 -7.006 1.00 0.00 C ATOM 1645 C SER B 43 -11.044 -5.545 -7.922 1.00 0.00 C ATOM 1646 O SER B 43 -11.805 -5.285 -8.853 1.00 0.00 O ATOM 1647 CB SER B 43 -12.072 -6.278 -5.762 1.00 0.00 C ATOM 1648 OG SER B 43 -12.110 -7.301 -4.782 1.00 0.00 O ATOM 0 H SER B 43 -9.932 -7.492 -5.616 1.00 0.00 H new ATOM 0 HA SER B 43 -11.911 -7.463 -7.549 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.598 -5.389 -5.346 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.088 -5.997 -6.039 1.00 0.00 H new ATOM 0 HG SER B 43 -12.603 -6.983 -3.997 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.960 -4.825 -7.649 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.596 -3.661 -8.448 1.00 0.00 C ATOM 1656 C GLN B 44 -8.731 -4.065 -9.638 1.00 0.00 C ATOM 1657 O GLN B 44 -8.528 -3.282 -10.564 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.854 -2.637 -7.588 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.677 -1.399 -7.269 1.00 0.00 C ATOM 1660 CD GLN B 44 -11.111 -1.729 -6.906 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.369 -2.631 -6.108 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -12.053 -0.998 -7.490 1.00 0.00 N ATOM 0 H GLN B 44 -9.319 -5.027 -6.881 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.514 -3.211 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.550 -3.111 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.943 -2.334 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -9.212 -0.861 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.669 -0.730 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.793 -0.261 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -13.036 -1.174 -7.284 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.225 -5.294 -9.604 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.383 -5.803 -10.680 1.00 0.00 C ATOM 1673 C ALA B 45 -8.072 -5.655 -12.032 1.00 0.00 C ATOM 1674 O ALA B 45 -7.413 -5.561 -13.067 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.024 -7.259 -10.425 1.00 0.00 C ATOM 0 H ALA B 45 -8.383 -5.955 -8.843 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.467 -5.213 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.395 -7.626 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.484 -7.341 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -7.935 -7.855 -10.374 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.401 -5.635 -12.015 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.178 -5.499 -13.242 1.00 0.00 C ATOM 1683 C GLU B 46 -10.201 -4.049 -13.714 1.00 0.00 C ATOM 1684 O GLU B 46 -9.870 -3.753 -14.863 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.607 -6.000 -13.025 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.682 -7.440 -12.548 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.092 -7.861 -12.182 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -13.910 -6.976 -11.854 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.378 -9.076 -12.224 1.00 0.00 O ATOM 0 H GLU B 46 -9.962 -5.711 -11.166 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.702 -6.105 -14.012 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.101 -5.358 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.161 -5.906 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.302 -8.098 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.033 -7.566 -11.682 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.596 -3.148 -12.820 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.664 -1.728 -13.145 1.00 0.00 C ATOM 1698 C ARG B 47 -9.305 -1.209 -13.603 1.00 0.00 C ATOM 1699 O ARG B 47 -9.221 -0.347 -14.478 1.00 0.00 O ATOM 1700 CB ARG B 47 -11.145 -0.929 -11.933 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.026 -0.522 -10.988 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.485 0.858 -11.327 1.00 0.00 C ATOM 1703 NE ARG B 47 -10.538 1.869 -11.345 1.00 0.00 N ATOM 1704 CZ ARG B 47 -11.164 2.299 -10.255 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.843 1.809 -9.066 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -12.112 3.222 -10.353 1.00 0.00 N ATOM 0 H ARG B 47 -10.874 -3.376 -11.865 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.375 -1.601 -13.961 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.660 -0.033 -12.280 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -11.875 -1.523 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.395 -0.528 -9.962 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -9.219 -1.253 -11.041 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -8.725 1.139 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.996 0.827 -12.301 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.808 2.267 -12.244 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.114 1.100 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.325 2.141 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.361 3.602 -11.266 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.592 3.551 -9.515 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.242 -1.739 -13.006 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.887 -1.330 -13.353 1.00 0.00 C ATOM 1722 C VAL B 48 -6.466 -1.907 -14.700 1.00 0.00 C ATOM 1723 O VAL B 48 -5.830 -1.228 -15.507 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.875 -1.772 -12.279 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -6.191 -1.116 -10.944 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.866 -3.288 -12.148 1.00 0.00 C ATOM 0 H VAL B 48 -8.294 -2.453 -12.279 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.891 -0.242 -13.413 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.880 -1.450 -12.588 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.465 -1.441 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -6.142 -0.032 -11.050 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -7.193 -1.404 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.146 -3.583 -11.385 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.859 -3.634 -11.862 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.587 -3.734 -13.103 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.826 -3.164 -14.937 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.486 -3.834 -16.187 1.00 0.00 C ATOM 1738 C ARG B 49 -7.064 -3.081 -17.382 1.00 0.00 C ATOM 1739 O ARG B 49 -6.398 -2.914 -18.404 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.005 -5.273 -16.178 1.00 0.00 C ATOM 1741 CG ARG B 49 -5.931 -6.306 -15.882 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.517 -7.549 -15.232 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.109 -8.771 -15.920 1.00 0.00 N ATOM 1744 CZ ARG B 49 -6.482 -9.988 -15.539 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -7.267 -10.145 -14.483 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -6.069 -11.052 -16.217 1.00 0.00 N ATOM 0 H ARG B 49 -7.353 -3.739 -14.280 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.400 -3.848 -16.278 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -7.796 -5.360 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.453 -5.495 -17.147 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.425 -6.582 -16.807 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.178 -5.871 -15.225 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.200 -7.597 -14.190 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.605 -7.479 -15.232 1.00 0.00 H new ATOM 0 HE ARG B 49 -5.505 -8.686 -16.737 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -7.587 -9.330 -13.960 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -7.551 -11.081 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.465 -10.935 -17.031 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -6.356 -11.986 -15.924 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.306 -2.628 -17.246 1.00 0.00 N ATOM 1761 CA ALA B 50 -8.972 -1.892 -18.313 1.00 0.00 C ATOM 1762 C ALA B 50 -8.360 -0.507 -18.489 1.00 0.00 C ATOM 1763 O ALA B 50 -7.924 -0.146 -19.582 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.462 -1.780 -18.026 1.00 0.00 C ATOM 0 H ALA B 50 -8.871 -2.758 -16.407 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.832 -2.443 -19.243 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.947 -1.228 -18.831 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.895 -2.778 -17.958 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.612 -1.254 -17.083 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.331 0.265 -17.407 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.774 1.612 -17.445 1.00 0.00 C ATOM 1772 C GLU B 51 -6.333 1.590 -17.947 1.00 0.00 C ATOM 1773 O GLU B 51 -5.932 2.430 -18.753 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.831 2.251 -16.056 1.00 0.00 C ATOM 1775 CG GLU B 51 -9.239 2.606 -15.607 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.096 3.135 -16.740 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.703 4.146 -17.358 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.160 2.539 -17.009 1.00 0.00 O ATOM 0 H GLU B 51 -8.686 -0.019 -16.494 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.373 2.206 -18.135 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.389 1.566 -15.332 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.220 3.154 -16.055 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.714 1.723 -15.179 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -9.186 3.354 -14.816 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.559 0.624 -17.464 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.162 0.492 -17.863 1.00 0.00 C ATOM 1787 C LEU B 52 -4.046 0.228 -19.361 1.00 0.00 C ATOM 1788 O LEU B 52 -3.300 0.909 -20.065 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.493 -0.640 -17.081 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.026 -0.912 -17.416 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.151 -0.706 -16.189 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -1.856 -2.321 -17.965 1.00 0.00 C ATOM 0 H LEU B 52 -5.875 -0.079 -16.796 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.655 1.430 -17.638 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.566 -0.412 -16.018 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.059 -1.556 -17.250 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.712 -0.205 -18.184 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.111 -0.904 -16.447 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.249 0.322 -15.841 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.465 -1.388 -15.399 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -0.806 -2.497 -18.198 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.188 -3.044 -17.220 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.452 -2.433 -18.871 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.789 -0.763 -19.842 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.773 -1.113 -21.256 1.00 0.00 C ATOM 1806 C ALA B 53 -5.163 0.080 -22.122 1.00 0.00 C ATOM 1807 O ALA B 53 -4.675 0.232 -23.242 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.705 -2.286 -21.520 1.00 0.00 C ATOM 0 H ALA B 53 -5.410 -1.338 -19.272 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.756 -1.404 -21.521 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.683 -2.537 -22.581 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.380 -3.147 -20.937 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.721 -2.015 -21.232 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.045 0.924 -21.596 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.502 2.103 -22.322 1.00 0.00 C ATOM 1816 C ARG B 54 -5.457 3.213 -22.268 1.00 0.00 C ATOM 1817 O ARG B 54 -5.369 4.042 -23.174 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.826 2.604 -21.742 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.031 1.788 -22.181 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.184 1.925 -21.198 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.443 1.445 -21.761 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.598 1.470 -21.106 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.654 1.951 -19.872 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.701 1.015 -21.686 1.00 0.00 N ATOM 0 H ARG B 54 -6.457 0.813 -20.670 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.654 1.821 -23.364 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.765 2.589 -20.654 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.973 3.642 -22.039 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.353 2.115 -23.169 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.749 0.739 -22.269 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -9.956 1.365 -20.291 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.291 2.970 -20.909 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.435 1.070 -22.709 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.809 2.303 -19.423 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.543 1.969 -19.371 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.662 0.645 -22.636 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.588 1.035 -21.182 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.668 3.225 -21.199 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.631 4.234 -21.025 1.00 0.00 C ATOM 1840 C PHE B 55 -2.375 3.865 -21.810 1.00 0.00 C ATOM 1841 O PHE B 55 -1.688 4.733 -22.349 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.289 4.396 -19.542 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.566 5.674 -19.229 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.117 6.899 -19.570 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.335 5.652 -18.594 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.455 8.077 -19.283 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.668 6.827 -18.304 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.228 8.041 -18.650 1.00 0.00 C ATOM 0 H PHE B 55 -4.727 2.547 -20.440 1.00 0.00 H new ATOM 0 HA PHE B 55 -4.013 5.180 -21.408 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.209 4.356 -18.959 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.674 3.553 -19.225 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.076 6.933 -20.066 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.891 4.705 -18.322 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.896 9.025 -19.553 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.290 6.796 -17.807 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.708 8.960 -18.426 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.082 2.570 -21.869 1.00 0.00 N ATOM 1859 CA LEU B 56 -0.909 2.084 -22.588 1.00 0.00 C ATOM 1860 C LEU B 56 -0.927 2.552 -24.039 1.00 0.00 C ATOM 1861 O LEU B 56 0.103 2.946 -24.586 1.00 0.00 O ATOM 1862 CB LEU B 56 -0.851 0.556 -22.534 1.00 0.00 C ATOM 1863 CG LEU B 56 0.084 -0.043 -21.483 1.00 0.00 C ATOM 1864 CD1 LEU B 56 0.025 -1.562 -21.520 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.510 0.443 -21.699 1.00 0.00 C ATOM 0 H LEU B 56 -2.640 1.839 -21.428 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.022 2.493 -22.105 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -1.858 0.180 -22.352 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.546 0.189 -23.514 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.246 0.289 -20.499 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.697 -1.971 -20.765 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -0.994 -1.892 -21.316 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.329 -1.914 -22.506 1.00 0.00 H new ATOM 0 HD21 LEU B 56 2.162 0.007 -20.942 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.851 0.141 -22.689 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.540 1.530 -21.621 1.00 0.00 H new