USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0264 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 6 GLN : amide:sc= -0.415 K(o=-0.42,f=-5.9!) USER MOD Single : A 18 MET CE :methyl -134:sc= -0.685 (180deg=-1.04) USER MOD Single : A 19 MET CE :methyl -127:sc= -0.0491 (180deg=-0.903) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.09 (180deg=0.592) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 165:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.97 K(o=0.97,f=-0.39) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.706 (180deg=0.633) USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= 0.61 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0799 K(o=-0.08,f=-0.67) USER MOD Single : A 102 LYS NZ :NH3+ -132:sc= -0.0948 (180deg=-0.577) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 106 MET CE :methyl -172:sc= -2.72! (180deg=-3.07!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.077 3.162 -3.444 1.00 0.00 N ATOM 2 CA MET A 1 2.336 2.660 -4.023 1.00 0.00 C ATOM 3 C MET A 1 3.533 3.215 -3.257 1.00 0.00 C ATOM 4 O MET A 1 3.527 4.376 -2.853 1.00 0.00 O ATOM 5 CB MET A 1 2.423 3.007 -5.510 1.00 0.00 C ATOM 6 CG MET A 1 3.745 2.523 -6.114 1.00 0.00 C ATOM 7 SD MET A 1 3.865 2.767 -7.902 1.00 0.00 S ATOM 8 CE MET A 1 5.509 2.061 -8.172 1.00 0.00 C ATOM 0 H1 MET A 1 0.416 3.405 -4.209 1.00 0.00 H new ATOM 0 H2 MET A 1 0.655 2.427 -2.842 1.00 0.00 H new ATOM 0 H3 MET A 1 1.271 4.009 -2.872 1.00 0.00 H new ATOM 0 HA MET A 1 2.351 1.574 -3.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.588 2.551 -6.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.333 4.085 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.568 3.048 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.868 1.463 -5.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.762 2.122 -9.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.244 2.618 -7.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.513 1.017 -7.858 1.00 0.00 H new ATOM 20 N SER A 2 4.560 2.385 -3.056 1.00 0.00 N ATOM 21 CA SER A 2 5.759 2.781 -2.329 1.00 0.00 C ATOM 22 C SER A 2 6.586 3.781 -3.138 1.00 0.00 C ATOM 23 O SER A 2 6.550 3.775 -4.366 1.00 0.00 O ATOM 24 CB SER A 2 6.589 1.542 -1.993 1.00 0.00 C ATOM 25 OG SER A 2 7.800 1.931 -1.380 1.00 0.00 O ATOM 0 H SER A 2 4.579 1.423 -3.394 1.00 0.00 H new ATOM 0 HA SER A 2 5.460 3.272 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.028 0.886 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.796 0.974 -2.900 1.00 0.00 H new ATOM 0 HG SER A 2 8.328 1.134 -1.165 1.00 0.00 H new ATOM 31 N ALA A 3 7.333 4.638 -2.439 1.00 0.00 N ATOM 32 CA ALA A 3 8.180 5.640 -3.074 1.00 0.00 C ATOM 33 C ALA A 3 9.499 5.031 -3.570 1.00 0.00 C ATOM 34 O ALA A 3 10.361 5.756 -4.062 1.00 0.00 O ATOM 35 CB ALA A 3 8.443 6.767 -2.079 1.00 0.00 C ATOM 0 H ALA A 3 7.365 4.654 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 3 7.664 6.036 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.076 7.523 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.496 7.219 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.945 6.365 -1.199 1.00 0.00 H new ATOM 41 N LEU A 4 9.651 3.710 -3.439 1.00 0.00 N ATOM 42 CA LEU A 4 10.868 3.023 -3.833 1.00 0.00 C ATOM 43 C LEU A 4 10.549 1.603 -4.289 1.00 0.00 C ATOM 44 O LEU A 4 10.309 0.718 -3.464 1.00 0.00 O ATOM 45 CB LEU A 4 11.839 3.036 -2.644 1.00 0.00 C ATOM 46 CG LEU A 4 13.036 2.092 -2.841 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.781 2.404 -4.137 1.00 0.00 C ATOM 48 CD2 LEU A 4 14.002 2.275 -1.672 1.00 0.00 C ATOM 0 H LEU A 4 8.932 3.095 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 4 11.336 3.530 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.205 4.051 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.302 2.750 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 4 12.664 1.069 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.622 1.719 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.104 2.286 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.150 3.429 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.857 1.611 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.347 3.309 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.493 2.036 -0.738 1.00 0.00 H new ATOM 60 N THR A 5 10.551 1.386 -5.610 1.00 0.00 N ATOM 61 CA THR A 5 10.327 0.067 -6.194 1.00 0.00 C ATOM 62 C THR A 5 11.215 -0.213 -7.409 1.00 0.00 C ATOM 63 O THR A 5 11.602 -1.357 -7.632 1.00 0.00 O ATOM 64 CB THR A 5 8.844 -0.148 -6.543 1.00 0.00 C ATOM 65 OG1 THR A 5 8.560 0.450 -7.789 1.00 0.00 O ATOM 66 CG2 THR A 5 7.899 0.432 -5.488 1.00 0.00 C ATOM 0 H THR A 5 10.708 2.121 -6.299 1.00 0.00 H new ATOM 0 HA THR A 5 10.612 -0.652 -5.426 1.00 0.00 H new ATOM 0 HB THR A 5 8.678 -1.225 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.616 0.311 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.866 0.251 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.088 -0.047 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.068 1.505 -5.398 1.00 0.00 H new ATOM 74 N GLN A 6 11.536 0.818 -8.193 1.00 0.00 N ATOM 75 CA GLN A 6 12.362 0.655 -9.380 1.00 0.00 C ATOM 76 C GLN A 6 13.827 0.608 -8.959 1.00 0.00 C ATOM 77 O GLN A 6 14.393 1.633 -8.587 1.00 0.00 O ATOM 78 CB GLN A 6 12.114 1.821 -10.349 1.00 0.00 C ATOM 79 CG GLN A 6 10.616 2.096 -10.552 1.00 0.00 C ATOM 80 CD GLN A 6 9.863 0.904 -11.130 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.458 -0.019 -11.680 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.540 0.920 -11.011 1.00 0.00 N ATOM 0 H GLN A 6 11.233 1.777 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 6 12.106 -0.274 -9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.598 2.719 -9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.574 1.596 -11.311 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.170 2.371 -9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.496 2.951 -11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.079 1.703 -10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.985 0.149 -11.383 1.00 0.00 H new ATOM 91 N ILE A 7 14.446 -0.574 -9.011 1.00 0.00 N ATOM 92 CA ILE A 7 15.820 -0.738 -8.560 1.00 0.00 C ATOM 93 C ILE A 7 16.664 -1.441 -9.620 1.00 0.00 C ATOM 94 O ILE A 7 16.255 -2.472 -10.153 1.00 0.00 O ATOM 95 CB ILE A 7 15.837 -1.489 -7.222 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.137 -0.628 -6.157 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.278 -1.796 -6.805 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.181 -1.275 -4.772 1.00 0.00 C ATOM 0 H ILE A 7 14.013 -1.428 -9.362 1.00 0.00 H new ATOM 0 HA ILE A 7 16.266 0.244 -8.405 1.00 0.00 H new ATOM 0 HB ILE A 7 15.307 -2.436 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.613 0.352 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.099 -0.466 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.276 -2.329 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.753 -2.414 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.832 -0.864 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.675 -0.631 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.681 -2.243 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.219 -1.413 -4.468 1.00 0.00 H new ATOM 110 N LEU A 8 17.841 -0.882 -9.915 1.00 0.00 N ATOM 111 CA LEU A 8 18.815 -1.524 -10.785 1.00 0.00 C ATOM 112 C LEU A 8 19.783 -2.362 -9.952 1.00 0.00 C ATOM 113 O LEU A 8 20.025 -2.055 -8.785 1.00 0.00 O ATOM 114 CB LEU A 8 19.580 -0.472 -11.600 1.00 0.00 C ATOM 115 CG LEU A 8 20.241 -1.121 -12.827 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.258 -1.121 -13.996 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.496 -0.360 -13.251 1.00 0.00 C ATOM 0 H LEU A 8 18.139 0.025 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 8 18.290 -2.180 -11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.898 0.316 -11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.340 -0.001 -10.976 1.00 0.00 H new ATOM 0 HG LEU A 8 20.520 -2.139 -12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.727 -1.581 -14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.367 -1.686 -13.722 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.977 -0.095 -14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.939 -0.845 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.231 0.667 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.215 -0.358 -12.431 1.00 0.00 H new ATOM 129 N ILE A 9 20.338 -3.415 -10.550 1.00 0.00 N ATOM 130 CA ILE A 9 21.309 -4.272 -9.884 1.00 0.00 C ATOM 131 C ILE A 9 22.595 -4.297 -10.701 1.00 0.00 C ATOM 132 O ILE A 9 22.556 -4.313 -11.932 1.00 0.00 O ATOM 133 CB ILE A 9 20.725 -5.682 -9.721 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.458 -5.649 -8.861 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.757 -6.617 -9.082 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.639 -6.922 -9.068 1.00 0.00 C ATOM 0 H ILE A 9 20.126 -3.695 -11.508 1.00 0.00 H new ATOM 0 HA ILE A 9 21.537 -3.884 -8.891 1.00 0.00 H new ATOM 0 HB ILE A 9 20.467 -6.057 -10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.727 -5.549 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.858 -4.777 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.328 -7.613 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.642 -6.671 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.037 -6.234 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.742 -6.882 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.353 -7.004 -10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.236 -7.789 -8.786 1.00 0.00 H new ATOM 148 N VAL A 10 23.737 -4.304 -10.015 1.00 0.00 N ATOM 149 CA VAL A 10 25.034 -4.404 -10.655 1.00 0.00 C ATOM 150 C VAL A 10 25.919 -5.366 -9.877 1.00 0.00 C ATOM 151 O VAL A 10 26.277 -5.103 -8.728 1.00 0.00 O ATOM 152 CB VAL A 10 25.688 -3.025 -10.796 1.00 0.00 C ATOM 153 CG1 VAL A 10 26.919 -3.123 -11.694 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.717 -2.002 -11.386 1.00 0.00 C ATOM 0 H VAL A 10 23.782 -4.240 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 10 24.901 -4.798 -11.663 1.00 0.00 H new ATOM 0 HB VAL A 10 25.977 -2.692 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.379 -2.139 -11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.635 -3.817 -11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.623 -3.483 -12.679 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.214 -1.036 -11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.395 -2.333 -12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.849 -1.907 -10.734 1.00 0.00 H new ATOM 164 N GLU A 11 26.260 -6.485 -10.515 1.00 0.00 N ATOM 165 CA GLU A 11 27.077 -7.535 -9.920 1.00 0.00 C ATOM 166 C GLU A 11 27.607 -8.446 -11.023 1.00 0.00 C ATOM 167 O GLU A 11 26.874 -8.782 -11.956 1.00 0.00 O ATOM 168 CB GLU A 11 26.222 -8.347 -8.934 1.00 0.00 C ATOM 169 CG GLU A 11 26.684 -8.151 -7.483 1.00 0.00 C ATOM 170 CD GLU A 11 28.011 -8.854 -7.188 1.00 0.00 C ATOM 171 OE1 GLU A 11 28.533 -9.534 -8.098 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.489 -8.703 -6.042 1.00 0.00 O ATOM 0 H GLU A 11 25.971 -6.688 -11.472 1.00 0.00 H new ATOM 0 HA GLU A 11 27.917 -7.093 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.178 -8.048 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.275 -9.405 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.789 -7.085 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.918 -8.531 -6.807 1.00 0.00 H new ATOM 179 N ASP A 12 28.874 -8.849 -10.914 1.00 0.00 N ATOM 180 CA ASP A 12 29.466 -9.800 -11.846 1.00 0.00 C ATOM 181 C ASP A 12 29.159 -11.254 -11.459 1.00 0.00 C ATOM 182 O ASP A 12 29.127 -12.138 -12.315 1.00 0.00 O ATOM 183 CB ASP A 12 30.965 -9.520 -11.996 1.00 0.00 C ATOM 184 CG ASP A 12 31.730 -10.685 -12.619 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.262 -11.196 -13.659 1.00 0.00 O ATOM 186 OD2 ASP A 12 32.782 -11.050 -12.048 1.00 0.00 O ATOM 0 H ASP A 12 29.510 -8.527 -10.184 1.00 0.00 H new ATOM 0 HA ASP A 12 29.007 -9.662 -12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.103 -8.631 -12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.387 -9.298 -11.016 1.00 0.00 H new ATOM 191 N GLU A 13 28.932 -11.510 -10.167 1.00 0.00 N ATOM 192 CA GLU A 13 28.611 -12.850 -9.701 1.00 0.00 C ATOM 193 C GLU A 13 27.157 -13.170 -10.063 1.00 0.00 C ATOM 194 O GLU A 13 26.265 -12.369 -9.779 1.00 0.00 O ATOM 195 CB GLU A 13 28.819 -12.918 -8.183 1.00 0.00 C ATOM 196 CG GLU A 13 28.606 -14.337 -7.640 1.00 0.00 C ATOM 197 CD GLU A 13 29.739 -15.289 -8.023 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.654 -16.467 -7.609 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.680 -14.842 -8.717 1.00 0.00 O ATOM 0 H GLU A 13 28.966 -10.804 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 13 29.262 -13.584 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.827 -12.583 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.128 -12.233 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.521 -14.298 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.663 -14.730 -8.020 1.00 0.00 H new ATOM 206 N PRO A 14 26.900 -14.330 -10.682 1.00 0.00 N ATOM 207 CA PRO A 14 25.560 -14.718 -11.076 1.00 0.00 C ATOM 208 C PRO A 14 24.682 -14.989 -9.861 1.00 0.00 C ATOM 209 O PRO A 14 23.505 -14.635 -9.862 1.00 0.00 O ATOM 210 CB PRO A 14 25.726 -15.994 -11.904 1.00 0.00 C ATOM 211 CG PRO A 14 27.108 -16.537 -11.537 1.00 0.00 C ATOM 212 CD PRO A 14 27.890 -15.317 -11.062 1.00 0.00 C ATOM 0 HA PRO A 14 25.072 -13.923 -11.640 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.945 -16.718 -11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.657 -15.782 -12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.041 -17.294 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.589 -17.007 -12.395 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.532 -15.570 -10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.537 -14.936 -11.852 1.00 0.00 H new ATOM 220 N LEU A 15 25.249 -15.616 -8.826 1.00 0.00 N ATOM 221 CA LEU A 15 24.478 -16.029 -7.661 1.00 0.00 C ATOM 222 C LEU A 15 23.907 -14.820 -6.932 1.00 0.00 C ATOM 223 O LEU A 15 22.753 -14.845 -6.513 1.00 0.00 O ATOM 224 CB LEU A 15 25.374 -16.836 -6.715 1.00 0.00 C ATOM 225 CG LEU A 15 25.440 -18.311 -7.123 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.156 -18.499 -8.459 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.202 -19.079 -6.045 1.00 0.00 C ATOM 0 H LEU A 15 26.241 -15.847 -8.776 1.00 0.00 H new ATOM 0 HA LEU A 15 23.646 -16.649 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.378 -16.413 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.994 -16.756 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 15 24.421 -18.682 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.181 -19.559 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.623 -17.953 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.175 -18.120 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.258 -20.132 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.210 -18.674 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.683 -18.980 -5.092 1.00 0.00 H new ATOM 239 N ILE A 16 24.699 -13.756 -6.776 1.00 0.00 N ATOM 240 CA ILE A 16 24.234 -12.571 -6.066 1.00 0.00 C ATOM 241 C ILE A 16 23.249 -11.792 -6.936 1.00 0.00 C ATOM 242 O ILE A 16 22.322 -11.169 -6.420 1.00 0.00 O ATOM 243 CB ILE A 16 25.440 -11.695 -5.688 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.512 -12.497 -4.930 1.00 0.00 C ATOM 245 CG2 ILE A 16 24.971 -10.509 -4.841 1.00 0.00 C ATOM 246 CD1 ILE A 16 25.995 -13.082 -3.614 1.00 0.00 C ATOM 0 H ILE A 16 25.654 -13.694 -7.129 1.00 0.00 H new ATOM 0 HA ILE A 16 23.718 -12.871 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 16 25.894 -11.331 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.871 -13.306 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.365 -11.851 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.828 -9.890 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.257 -9.914 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.493 -10.877 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.795 -13.637 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.662 -12.274 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.160 -13.752 -3.817 1.00 0.00 H new ATOM 258 N ALA A 17 23.440 -11.822 -8.258 1.00 0.00 N ATOM 259 CA ALA A 17 22.603 -11.067 -9.174 1.00 0.00 C ATOM 260 C ALA A 17 21.207 -11.681 -9.275 1.00 0.00 C ATOM 261 O ALA A 17 20.214 -10.958 -9.227 1.00 0.00 O ATOM 262 CB ALA A 17 23.279 -11.030 -10.543 1.00 0.00 C ATOM 0 H ALA A 17 24.173 -12.366 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 17 22.484 -10.051 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.659 -10.465 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.254 -10.551 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.407 -12.047 -10.913 1.00 0.00 H new ATOM 268 N MET A 18 21.114 -13.010 -9.413 1.00 0.00 N ATOM 269 CA MET A 18 19.825 -13.668 -9.578 1.00 0.00 C ATOM 270 C MET A 18 19.055 -13.684 -8.258 1.00 0.00 C ATOM 271 O MET A 18 17.826 -13.731 -8.263 1.00 0.00 O ATOM 272 CB MET A 18 20.038 -15.087 -10.110 1.00 0.00 C ATOM 273 CG MET A 18 20.664 -16.001 -9.053 1.00 0.00 C ATOM 274 SD MET A 18 20.927 -17.709 -9.602 1.00 0.00 S ATOM 275 CE MET A 18 22.202 -17.443 -10.859 1.00 0.00 C ATOM 0 H MET A 18 21.915 -13.642 -9.413 1.00 0.00 H new ATOM 0 HA MET A 18 19.228 -13.111 -10.300 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.083 -15.503 -10.430 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.682 -15.053 -10.989 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.621 -15.579 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.022 -16.010 -8.172 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.950 -18.006 -11.758 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.259 -16.382 -11.100 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.165 -17.781 -10.477 1.00 0.00 H new ATOM 285 N MET A 19 19.768 -13.642 -7.129 1.00 0.00 N ATOM 286 CA MET A 19 19.138 -13.615 -5.820 1.00 0.00 C ATOM 287 C MET A 19 18.534 -12.240 -5.542 1.00 0.00 C ATOM 288 O MET A 19 17.515 -12.144 -4.861 1.00 0.00 O ATOM 289 CB MET A 19 20.174 -13.982 -4.755 1.00 0.00 C ATOM 290 CG MET A 19 20.431 -15.490 -4.771 1.00 0.00 C ATOM 291 SD MET A 19 19.001 -16.527 -4.351 1.00 0.00 S ATOM 292 CE MET A 19 18.779 -16.052 -2.619 1.00 0.00 C ATOM 0 H MET A 19 20.788 -13.626 -7.103 1.00 0.00 H new ATOM 0 HA MET A 19 18.327 -14.343 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.104 -13.445 -4.940 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.820 -13.676 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.783 -15.771 -5.763 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.237 -15.712 -4.072 1.00 0.00 H new ATOM 0 HE1 MET A 19 18.759 -16.946 -1.996 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.605 -15.412 -2.309 1.00 0.00 H new ATOM 0 HE3 MET A 19 17.839 -15.511 -2.508 1.00 0.00 H new ATOM 302 N LEU A 20 19.156 -11.176 -6.062 1.00 0.00 N ATOM 303 CA LEU A 20 18.644 -9.828 -5.883 1.00 0.00 C ATOM 304 C LEU A 20 17.409 -9.608 -6.760 1.00 0.00 C ATOM 305 O LEU A 20 16.520 -8.847 -6.383 1.00 0.00 O ATOM 306 CB LEU A 20 19.742 -8.820 -6.235 1.00 0.00 C ATOM 307 CG LEU A 20 20.787 -8.732 -5.119 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.979 -7.912 -5.601 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.196 -8.053 -3.881 1.00 0.00 C ATOM 0 H LEU A 20 20.015 -11.231 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 20 18.349 -9.687 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.225 -9.114 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.299 -7.838 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 20 21.101 -9.743 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.723 -7.849 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.421 -8.391 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.647 -6.908 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.953 -8.000 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.870 -7.046 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.344 -8.630 -3.522 1.00 0.00 H new ATOM 321 N GLU A 21 17.345 -10.264 -7.920 1.00 0.00 N ATOM 322 CA GLU A 21 16.187 -10.164 -8.791 1.00 0.00 C ATOM 323 C GLU A 21 14.985 -10.862 -8.159 1.00 0.00 C ATOM 324 O GLU A 21 13.848 -10.440 -8.357 1.00 0.00 O ATOM 325 CB GLU A 21 16.509 -10.787 -10.152 1.00 0.00 C ATOM 326 CG GLU A 21 17.552 -9.947 -10.896 1.00 0.00 C ATOM 327 CD GLU A 21 18.026 -10.629 -12.181 1.00 0.00 C ATOM 328 OE1 GLU A 21 18.858 -10.008 -12.885 1.00 0.00 O ATOM 329 OE2 GLU A 21 17.557 -11.759 -12.453 1.00 0.00 O ATOM 0 H GLU A 21 18.086 -10.870 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 21 15.939 -9.112 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.882 -11.802 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.600 -10.860 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.127 -8.973 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.407 -9.769 -10.243 1.00 0.00 H new ATOM 336 N ASP A 22 15.235 -11.930 -7.398 1.00 0.00 N ATOM 337 CA ASP A 22 14.173 -12.682 -6.750 1.00 0.00 C ATOM 338 C ASP A 22 13.630 -11.917 -5.541 1.00 0.00 C ATOM 339 O ASP A 22 12.422 -11.892 -5.308 1.00 0.00 O ATOM 340 CB ASP A 22 14.723 -14.053 -6.333 1.00 0.00 C ATOM 341 CG ASP A 22 13.684 -14.918 -5.625 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.474 -14.689 -5.849 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.113 -15.812 -4.862 1.00 0.00 O ATOM 0 H ASP A 22 16.172 -12.290 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 22 13.345 -12.822 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.084 -14.578 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.580 -13.910 -5.674 1.00 0.00 H new ATOM 348 N PHE A 23 14.525 -11.285 -4.772 1.00 0.00 N ATOM 349 CA PHE A 23 14.117 -10.553 -3.582 1.00 0.00 C ATOM 350 C PHE A 23 13.328 -9.275 -3.855 1.00 0.00 C ATOM 351 O PHE A 23 12.524 -8.860 -3.024 1.00 0.00 O ATOM 352 CB PHE A 23 15.312 -10.286 -2.667 1.00 0.00 C ATOM 353 CG PHE A 23 15.755 -11.488 -1.862 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.094 -11.895 -1.893 1.00 0.00 C ATOM 355 CD2 PHE A 23 14.830 -12.191 -1.077 1.00 0.00 C ATOM 356 CE1 PHE A 23 17.510 -13.001 -1.139 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.246 -13.300 -0.326 1.00 0.00 C ATOM 358 CZ PHE A 23 16.587 -13.702 -0.353 1.00 0.00 C ATOM 0 H PHE A 23 15.528 -11.269 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 23 13.414 -11.209 -3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.149 -9.939 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.058 -9.477 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.808 -11.356 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.797 -11.878 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.544 -13.313 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.531 -13.844 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.909 -14.551 0.231 1.00 0.00 H new ATOM 368 N LEU A 24 13.541 -8.645 -5.014 1.00 0.00 N ATOM 369 CA LEU A 24 12.793 -7.449 -5.358 1.00 0.00 C ATOM 370 C LEU A 24 11.369 -7.820 -5.749 1.00 0.00 C ATOM 371 O LEU A 24 10.430 -7.111 -5.397 1.00 0.00 O ATOM 372 CB LEU A 24 13.491 -6.710 -6.501 1.00 0.00 C ATOM 373 CG LEU A 24 14.804 -6.070 -6.038 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.521 -5.475 -7.245 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.544 -4.954 -5.026 1.00 0.00 C ATOM 0 H LEU A 24 14.217 -8.944 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 24 12.752 -6.789 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.692 -7.405 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.829 -5.939 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 24 15.414 -6.840 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.457 -5.018 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.732 -6.263 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.888 -4.718 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.493 -4.517 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.923 -4.184 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.030 -5.364 -4.156 1.00 0.00 H new ATOM 387 N GLU A 25 11.195 -8.926 -6.475 1.00 0.00 N ATOM 388 CA GLU A 25 9.883 -9.322 -6.960 1.00 0.00 C ATOM 389 C GLU A 25 8.960 -9.726 -5.807 1.00 0.00 C ATOM 390 O GLU A 25 7.756 -9.475 -5.863 1.00 0.00 O ATOM 391 CB GLU A 25 10.059 -10.463 -7.960 1.00 0.00 C ATOM 392 CG GLU A 25 8.703 -11.000 -8.424 1.00 0.00 C ATOM 393 CD GLU A 25 8.855 -12.084 -9.491 1.00 0.00 C ATOM 394 OE1 GLU A 25 7.808 -12.651 -9.877 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.005 -12.342 -9.913 1.00 0.00 O ATOM 0 H GLU A 25 11.950 -9.560 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 25 9.407 -8.475 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.629 -10.112 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.635 -11.267 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.161 -11.405 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.105 -10.180 -8.822 1.00 0.00 H new ATOM 402 N VAL A 26 9.517 -10.351 -4.762 1.00 0.00 N ATOM 403 CA VAL A 26 8.726 -10.789 -3.619 1.00 0.00 C ATOM 404 C VAL A 26 8.385 -9.629 -2.681 1.00 0.00 C ATOM 405 O VAL A 26 7.392 -9.688 -1.960 1.00 0.00 O ATOM 406 CB VAL A 26 9.445 -11.936 -2.898 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.653 -11.419 -2.122 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.492 -12.641 -1.934 1.00 0.00 C ATOM 0 H VAL A 26 10.512 -10.562 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 26 7.770 -11.166 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 26 9.785 -12.643 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.146 -12.251 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.352 -10.945 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.325 -10.691 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.018 -13.452 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.131 -11.928 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.647 -13.047 -2.490 1.00 0.00 H new ATOM 418 N LEU A 27 9.207 -8.573 -2.693 1.00 0.00 N ATOM 419 CA LEU A 27 8.941 -7.362 -1.927 1.00 0.00 C ATOM 420 C LEU A 27 8.014 -6.426 -2.710 1.00 0.00 C ATOM 421 O LEU A 27 7.865 -5.260 -2.348 1.00 0.00 O ATOM 422 CB LEU A 27 10.259 -6.661 -1.585 1.00 0.00 C ATOM 423 CG LEU A 27 11.077 -7.462 -0.568 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.441 -6.796 -0.386 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.369 -7.501 0.788 1.00 0.00 C ATOM 0 H LEU A 27 10.071 -8.539 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 27 8.440 -7.633 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.844 -6.521 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.051 -5.669 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 27 11.191 -8.480 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.028 -7.362 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.965 -6.774 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.303 -5.777 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.968 -8.075 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.242 -6.485 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.392 -7.971 0.675 1.00 0.00 H new ATOM 437 N ASP A 28 7.397 -6.937 -3.780 1.00 0.00 N ATOM 438 CA ASP A 28 6.517 -6.163 -4.649 1.00 0.00 C ATOM 439 C ASP A 28 7.263 -4.960 -5.237 1.00 0.00 C ATOM 440 O ASP A 28 6.685 -3.892 -5.447 1.00 0.00 O ATOM 441 CB ASP A 28 5.235 -5.776 -3.896 1.00 0.00 C ATOM 442 CG ASP A 28 4.220 -5.066 -4.793 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.396 -4.309 -4.232 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.275 -5.284 -6.025 1.00 0.00 O ATOM 0 H ASP A 28 7.498 -7.911 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 28 6.209 -6.774 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.779 -6.673 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.491 -5.127 -3.059 1.00 0.00 H new ATOM 449 N LYS A 29 8.561 -5.142 -5.502 1.00 0.00 N ATOM 450 CA LYS A 29 9.394 -4.144 -6.165 1.00 0.00 C ATOM 451 C LYS A 29 9.715 -4.616 -7.579 1.00 0.00 C ATOM 452 O LYS A 29 9.219 -5.653 -8.017 1.00 0.00 O ATOM 453 CB LYS A 29 10.669 -3.894 -5.353 1.00 0.00 C ATOM 454 CG LYS A 29 10.323 -3.436 -3.937 1.00 0.00 C ATOM 455 CD LYS A 29 11.584 -2.956 -3.215 1.00 0.00 C ATOM 456 CE LYS A 29 11.260 -2.568 -1.773 1.00 0.00 C ATOM 457 NZ LYS A 29 10.255 -1.488 -1.715 1.00 0.00 N ATOM 0 H LYS A 29 9.064 -5.995 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 29 8.856 -3.198 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.265 -4.806 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.279 -3.138 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.589 -2.631 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.867 -4.256 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.338 -3.743 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.008 -2.101 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.889 -3.441 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.171 -2.246 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.278 -1.042 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.469 -0.776 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.309 -1.885 -1.887 1.00 0.00 H new ATOM 471 N THR A 30 10.542 -3.854 -8.300 1.00 0.00 N ATOM 472 CA THR A 30 10.833 -4.130 -9.699 1.00 0.00 C ATOM 473 C THR A 30 12.325 -4.077 -10.033 1.00 0.00 C ATOM 474 O THR A 30 12.940 -3.019 -9.909 1.00 0.00 O ATOM 475 CB THR A 30 10.045 -3.165 -10.589 1.00 0.00 C ATOM 476 OG1 THR A 30 8.720 -3.041 -10.118 1.00 0.00 O ATOM 477 CG2 THR A 30 10.034 -3.647 -12.036 1.00 0.00 C ATOM 0 H THR A 30 11.023 -3.035 -7.928 1.00 0.00 H new ATOM 0 HA THR A 30 10.520 -5.156 -9.893 1.00 0.00 H new ATOM 0 HB THR A 30 10.534 -2.192 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.225 -2.421 -10.693 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.468 -2.945 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.057 -3.709 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.569 -4.631 -12.088 1.00 0.00 H new ATOM 485 N PRO A 31 12.912 -5.206 -10.460 1.00 0.00 N ATOM 486 CA PRO A 31 14.252 -5.241 -11.009 1.00 0.00 C ATOM 487 C PRO A 31 14.209 -4.687 -12.433 1.00 0.00 C ATOM 488 O PRO A 31 13.875 -5.408 -13.372 1.00 0.00 O ATOM 489 CB PRO A 31 14.657 -6.717 -10.989 1.00 0.00 C ATOM 490 CG PRO A 31 13.329 -7.468 -11.094 1.00 0.00 C ATOM 491 CD PRO A 31 12.308 -6.529 -10.444 1.00 0.00 C ATOM 0 HA PRO A 31 14.968 -4.640 -10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.320 -6.960 -11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.188 -6.972 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.072 -7.677 -12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.373 -8.427 -10.577 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.367 -6.535 -10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.083 -6.843 -9.425 1.00 0.00 H new ATOM 499 N VAL A 32 14.545 -3.405 -12.597 1.00 0.00 N ATOM 500 CA VAL A 32 14.417 -2.733 -13.885 1.00 0.00 C ATOM 501 C VAL A 32 15.584 -3.025 -14.825 1.00 0.00 C ATOM 502 O VAL A 32 15.589 -2.553 -15.962 1.00 0.00 O ATOM 503 CB VAL A 32 14.217 -1.228 -13.686 1.00 0.00 C ATOM 504 CG1 VAL A 32 13.108 -0.980 -12.672 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.493 -0.551 -13.188 1.00 0.00 C ATOM 0 H VAL A 32 14.908 -2.813 -11.850 1.00 0.00 H new ATOM 0 HA VAL A 32 13.531 -3.139 -14.373 1.00 0.00 H new ATOM 0 HB VAL A 32 13.950 -0.804 -14.654 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.972 0.093 -12.536 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.179 -1.420 -13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.378 -1.435 -11.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.312 0.516 -13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.788 -0.987 -12.234 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.291 -0.698 -13.916 1.00 0.00 H new ATOM 515 N GLY A 33 16.574 -3.796 -14.365 1.00 0.00 N ATOM 516 CA GLY A 33 17.685 -4.191 -15.208 1.00 0.00 C ATOM 517 C GLY A 33 18.879 -4.665 -14.390 1.00 0.00 C ATOM 518 O GLY A 33 18.959 -4.407 -13.187 1.00 0.00 O ATOM 0 H GLY A 33 16.620 -4.155 -13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.366 -4.988 -15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.984 -3.349 -15.832 1.00 0.00 H new ATOM 522 N THR A 34 19.801 -5.362 -15.057 1.00 0.00 N ATOM 523 CA THR A 34 21.020 -5.871 -14.447 1.00 0.00 C ATOM 524 C THR A 34 22.203 -5.794 -15.402 1.00 0.00 C ATOM 525 O THR A 34 22.075 -6.144 -16.576 1.00 0.00 O ATOM 526 CB THR A 34 20.816 -7.295 -13.916 1.00 0.00 C ATOM 527 OG1 THR A 34 19.572 -7.404 -13.263 1.00 0.00 O ATOM 528 CG2 THR A 34 21.936 -7.681 -12.951 1.00 0.00 C ATOM 0 H THR A 34 19.716 -5.589 -16.048 1.00 0.00 H new ATOM 0 HA THR A 34 21.255 -5.230 -13.597 1.00 0.00 H new ATOM 0 HB THR A 34 20.835 -7.976 -14.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.346 -8.350 -13.145 1.00 0.00 H new ATOM 0 HG21 THR A 34 21.770 -8.695 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 34 22.894 -7.633 -13.468 1.00 0.00 H new ATOM 0 HG23 THR A 34 21.944 -6.990 -12.108 1.00 0.00 H new ATOM 536 N VAL A 35 23.352 -5.337 -14.902 1.00 0.00 N ATOM 537 CA VAL A 35 24.560 -5.192 -15.706 1.00 0.00 C ATOM 538 C VAL A 35 25.804 -5.632 -14.935 1.00 0.00 C ATOM 539 O VAL A 35 25.752 -5.800 -13.717 1.00 0.00 O ATOM 540 CB VAL A 35 24.690 -3.758 -16.244 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.362 -3.246 -16.805 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.123 -2.805 -15.133 1.00 0.00 C ATOM 0 H VAL A 35 23.468 -5.058 -13.928 1.00 0.00 H new ATOM 0 HA VAL A 35 24.474 -5.857 -16.566 1.00 0.00 H new ATOM 0 HB VAL A 35 25.437 -3.787 -17.038 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.492 -2.229 -17.176 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.039 -3.892 -17.621 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.608 -3.251 -16.018 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.210 -1.795 -15.533 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.381 -2.816 -14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.088 -3.122 -14.737 1.00 0.00 H new ATOM 552 N ASP A 36 26.915 -5.816 -15.648 1.00 0.00 N ATOM 553 CA ASP A 36 28.176 -6.262 -15.060 1.00 0.00 C ATOM 554 C ASP A 36 29.377 -5.409 -15.477 1.00 0.00 C ATOM 555 O ASP A 36 30.516 -5.733 -15.143 1.00 0.00 O ATOM 556 CB ASP A 36 28.404 -7.758 -15.324 1.00 0.00 C ATOM 557 CG ASP A 36 28.131 -8.155 -16.776 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.110 -7.249 -17.639 1.00 0.00 O ATOM 559 OD2 ASP A 36 27.942 -9.372 -17.004 1.00 0.00 O ATOM 0 H ASP A 36 26.965 -5.659 -16.655 1.00 0.00 H new ATOM 0 HA ASP A 36 28.087 -6.120 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.433 -8.014 -15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.759 -8.340 -14.666 1.00 0.00 H new ATOM 564 N THR A 37 29.119 -4.319 -16.204 1.00 0.00 N ATOM 565 CA THR A 37 30.127 -3.315 -16.532 1.00 0.00 C ATOM 566 C THR A 37 29.638 -1.917 -16.191 1.00 0.00 C ATOM 567 O THR A 37 28.441 -1.641 -16.267 1.00 0.00 O ATOM 568 CB THR A 37 30.600 -3.423 -17.979 1.00 0.00 C ATOM 569 OG1 THR A 37 29.658 -2.812 -18.834 1.00 0.00 O ATOM 570 CG2 THR A 37 30.793 -4.880 -18.395 1.00 0.00 C ATOM 0 H THR A 37 28.196 -4.109 -16.583 1.00 0.00 H new ATOM 0 HA THR A 37 31.000 -3.516 -15.911 1.00 0.00 H new ATOM 0 HB THR A 37 31.561 -2.915 -18.058 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.965 -2.881 -19.762 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.130 -4.921 -19.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.539 -5.346 -17.752 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.847 -5.414 -18.300 1.00 0.00 H new ATOM 578 N VAL A 38 30.560 -1.026 -15.810 1.00 0.00 N ATOM 579 CA VAL A 38 30.158 0.290 -15.343 1.00 0.00 C ATOM 580 C VAL A 38 29.678 1.201 -16.466 1.00 0.00 C ATOM 581 O VAL A 38 28.904 2.124 -16.222 1.00 0.00 O ATOM 582 CB VAL A 38 31.256 0.918 -14.482 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.345 1.603 -15.305 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.614 1.966 -13.584 1.00 0.00 C ATOM 0 H VAL A 38 31.566 -1.193 -15.817 1.00 0.00 H new ATOM 0 HA VAL A 38 29.284 0.158 -14.705 1.00 0.00 H new ATOM 0 HB VAL A 38 31.727 0.114 -13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 38 33.093 2.028 -14.636 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.818 0.873 -15.962 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.902 2.398 -15.905 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.379 2.428 -12.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 30.137 2.729 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.865 1.492 -12.949 1.00 0.00 H new ATOM 594 N ALA A 39 30.124 0.949 -17.697 1.00 0.00 N ATOM 595 CA ALA A 39 29.630 1.687 -18.847 1.00 0.00 C ATOM 596 C ALA A 39 28.185 1.286 -19.141 1.00 0.00 C ATOM 597 O ALA A 39 27.425 2.079 -19.692 1.00 0.00 O ATOM 598 CB ALA A 39 30.530 1.401 -20.049 1.00 0.00 C ATOM 0 H ALA A 39 30.824 0.241 -17.917 1.00 0.00 H new ATOM 0 HA ALA A 39 29.649 2.757 -18.638 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.165 1.952 -20.916 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.549 1.714 -19.823 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.518 0.333 -20.266 1.00 0.00 H new ATOM 604 N GLY A 40 27.808 0.057 -18.770 1.00 0.00 N ATOM 605 CA GLY A 40 26.433 -0.402 -18.893 1.00 0.00 C ATOM 606 C GLY A 40 25.592 0.128 -17.738 1.00 0.00 C ATOM 607 O GLY A 40 24.397 0.361 -17.896 1.00 0.00 O ATOM 0 H GLY A 40 28.446 -0.637 -18.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 26.014 -0.065 -19.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.406 -1.492 -18.901 1.00 0.00 H new ATOM 611 N ALA A 41 26.215 0.327 -16.573 1.00 0.00 N ATOM 612 CA ALA A 41 25.524 0.853 -15.407 1.00 0.00 C ATOM 613 C ALA A 41 25.271 2.349 -15.582 1.00 0.00 C ATOM 614 O ALA A 41 24.249 2.859 -15.127 1.00 0.00 O ATOM 615 CB ALA A 41 26.373 0.575 -14.169 1.00 0.00 C ATOM 0 H ALA A 41 27.203 0.128 -16.419 1.00 0.00 H new ATOM 0 HA ALA A 41 24.556 0.366 -15.289 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.867 0.964 -13.286 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.517 -0.500 -14.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.342 1.062 -14.276 1.00 0.00 H new ATOM 621 N LEU A 42 26.198 3.047 -16.244 1.00 0.00 N ATOM 622 CA LEU A 42 26.036 4.459 -16.559 1.00 0.00 C ATOM 623 C LEU A 42 24.954 4.626 -17.622 1.00 0.00 C ATOM 624 O LEU A 42 24.225 5.618 -17.618 1.00 0.00 O ATOM 625 CB LEU A 42 27.367 5.011 -17.081 1.00 0.00 C ATOM 626 CG LEU A 42 28.339 5.326 -15.941 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.735 5.547 -16.510 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.898 6.595 -15.208 1.00 0.00 C ATOM 0 H LEU A 42 27.076 2.646 -16.573 1.00 0.00 H new ATOM 0 HA LEU A 42 25.741 5.005 -15.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.821 4.286 -17.756 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.183 5.915 -17.662 1.00 0.00 H new ATOM 0 HG LEU A 42 28.346 4.488 -15.244 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.427 5.771 -15.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.063 4.646 -17.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.714 6.382 -17.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.597 6.809 -14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.883 7.432 -15.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.900 6.449 -14.796 1.00 0.00 H new ATOM 640 N ALA A 43 24.843 3.654 -18.527 1.00 0.00 N ATOM 641 CA ALA A 43 23.861 3.709 -19.596 1.00 0.00 C ATOM 642 C ALA A 43 22.462 3.396 -19.069 1.00 0.00 C ATOM 643 O ALA A 43 21.476 3.877 -19.621 1.00 0.00 O ATOM 644 CB ALA A 43 24.267 2.711 -20.679 1.00 0.00 C ATOM 0 H ALA A 43 25.427 2.817 -18.536 1.00 0.00 H new ATOM 0 HA ALA A 43 23.832 4.715 -20.014 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.540 2.739 -21.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.252 2.974 -21.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.299 1.707 -20.255 1.00 0.00 H new ATOM 650 N ARG A 44 22.363 2.592 -18.002 1.00 0.00 N ATOM 651 CA ARG A 44 21.077 2.210 -17.435 1.00 0.00 C ATOM 652 C ARG A 44 20.540 3.250 -16.460 1.00 0.00 C ATOM 653 O ARG A 44 19.331 3.446 -16.387 1.00 0.00 O ATOM 654 CB ARG A 44 21.204 0.834 -16.765 1.00 0.00 C ATOM 655 CG ARG A 44 21.210 -0.284 -17.813 1.00 0.00 C ATOM 656 CD ARG A 44 19.848 -0.357 -18.513 1.00 0.00 C ATOM 657 NE ARG A 44 19.809 -1.455 -19.486 1.00 0.00 N ATOM 658 CZ ARG A 44 19.252 -1.356 -20.698 1.00 0.00 C ATOM 659 NH1 ARG A 44 18.676 -0.225 -21.093 1.00 0.00 N ATOM 660 NH2 ARG A 44 19.279 -2.400 -21.522 1.00 0.00 N ATOM 0 H ARG A 44 23.167 2.195 -17.517 1.00 0.00 H new ATOM 0 HA ARG A 44 20.352 2.152 -18.247 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.122 0.794 -16.179 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.376 0.684 -16.072 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.995 -0.101 -18.547 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.434 -1.238 -17.337 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.062 -0.497 -17.771 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.645 0.587 -19.018 1.00 0.00 H new ATOM 0 HE ARG A 44 20.231 -2.345 -19.223 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.655 0.582 -20.469 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.255 -0.164 -22.020 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.723 -3.270 -21.228 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.856 -2.330 -22.447 1.00 0.00 H new ATOM 674 N VAL A 45 21.413 3.927 -15.708 1.00 0.00 N ATOM 675 CA VAL A 45 20.952 5.000 -14.832 1.00 0.00 C ATOM 676 C VAL A 45 20.565 6.235 -15.639 1.00 0.00 C ATOM 677 O VAL A 45 19.773 7.055 -15.176 1.00 0.00 O ATOM 678 CB VAL A 45 21.997 5.306 -13.751 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.230 6.011 -14.313 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.383 6.210 -12.684 1.00 0.00 C ATOM 0 H VAL A 45 22.418 3.755 -15.689 1.00 0.00 H new ATOM 0 HA VAL A 45 20.051 4.667 -14.317 1.00 0.00 H new ATOM 0 HB VAL A 45 22.306 4.349 -13.332 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.938 6.204 -13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.701 5.377 -15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.933 6.955 -14.769 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.127 6.426 -11.918 1.00 0.00 H new ATOM 0 HG22 VAL A 45 21.054 7.142 -13.143 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.529 5.708 -12.229 1.00 0.00 H new ATOM 690 N GLU A 46 21.115 6.373 -16.849 1.00 0.00 N ATOM 691 CA GLU A 46 20.782 7.484 -17.727 1.00 0.00 C ATOM 692 C GLU A 46 19.371 7.322 -18.306 1.00 0.00 C ATOM 693 O GLU A 46 18.766 8.297 -18.749 1.00 0.00 O ATOM 694 CB GLU A 46 21.849 7.571 -18.826 1.00 0.00 C ATOM 695 CG GLU A 46 21.514 8.602 -19.911 1.00 0.00 C ATOM 696 CD GLU A 46 21.420 10.033 -19.372 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.653 10.224 -18.159 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.115 10.928 -20.192 1.00 0.00 O ATOM 0 H GLU A 46 21.796 5.722 -17.239 1.00 0.00 H new ATOM 0 HA GLU A 46 20.777 8.417 -17.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.807 7.827 -18.374 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.966 6.591 -19.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.276 8.563 -20.689 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.567 8.333 -20.379 1.00 0.00 H new ATOM 705 N ASP A 47 18.838 6.096 -18.307 1.00 0.00 N ATOM 706 CA ASP A 47 17.477 5.848 -18.776 1.00 0.00 C ATOM 707 C ASP A 47 16.439 6.488 -17.855 1.00 0.00 C ATOM 708 O ASP A 47 15.303 6.728 -18.267 1.00 0.00 O ATOM 709 CB ASP A 47 17.232 4.341 -18.905 1.00 0.00 C ATOM 710 CG ASP A 47 18.077 3.701 -20.011 1.00 0.00 C ATOM 711 OD1 ASP A 47 18.613 4.457 -20.851 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.173 2.452 -20.002 1.00 0.00 O ATOM 0 H ASP A 47 19.331 5.262 -17.988 1.00 0.00 H new ATOM 0 HA ASP A 47 17.369 6.310 -19.757 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.457 3.857 -17.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.176 4.164 -19.111 1.00 0.00 H new ATOM 717 N GLY A 48 16.831 6.765 -16.607 1.00 0.00 N ATOM 718 CA GLY A 48 15.981 7.445 -15.639 1.00 0.00 C ATOM 719 C GLY A 48 14.797 6.585 -15.208 1.00 0.00 C ATOM 720 O GLY A 48 14.670 5.429 -15.613 1.00 0.00 O ATOM 0 H GLY A 48 17.752 6.520 -16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.572 7.712 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.614 8.376 -16.071 1.00 0.00 H new ATOM 724 N GLY A 49 13.927 7.162 -14.372 1.00 0.00 N ATOM 725 CA GLY A 49 12.750 6.472 -13.856 1.00 0.00 C ATOM 726 C GLY A 49 13.117 5.477 -12.753 1.00 0.00 C ATOM 727 O GLY A 49 12.244 4.785 -12.233 1.00 0.00 O ATOM 0 H GLY A 49 14.023 8.121 -14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.041 7.203 -13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.250 5.946 -14.670 1.00 0.00 H new ATOM 731 N ILE A 50 14.404 5.408 -12.397 1.00 0.00 N ATOM 732 CA ILE A 50 14.891 4.493 -11.375 1.00 0.00 C ATOM 733 C ILE A 50 14.847 5.164 -10.005 1.00 0.00 C ATOM 734 O ILE A 50 15.112 6.359 -9.894 1.00 0.00 O ATOM 735 CB ILE A 50 16.309 4.034 -11.740 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.291 3.419 -13.150 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.808 3.023 -10.709 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.680 2.940 -13.563 1.00 0.00 C ATOM 0 H ILE A 50 15.133 5.988 -12.813 1.00 0.00 H new ATOM 0 HA ILE A 50 14.250 3.613 -11.327 1.00 0.00 H new ATOM 0 HB ILE A 50 16.989 4.886 -11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.593 2.582 -13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.930 4.157 -13.867 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.815 2.701 -10.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.822 3.486 -9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.143 2.160 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.634 2.511 -14.564 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.371 3.783 -13.561 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.028 2.184 -12.859 1.00 0.00 H new ATOM 750 N ASP A 51 14.513 4.393 -8.964 1.00 0.00 N ATOM 751 CA ASP A 51 14.378 4.921 -7.613 1.00 0.00 C ATOM 752 C ASP A 51 15.655 4.710 -6.798 1.00 0.00 C ATOM 753 O ASP A 51 15.969 5.519 -5.928 1.00 0.00 O ATOM 754 CB ASP A 51 13.201 4.236 -6.915 1.00 0.00 C ATOM 755 CG ASP A 51 11.881 4.422 -7.655 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.962 3.618 -7.383 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.795 5.360 -8.479 1.00 0.00 O ATOM 0 H ASP A 51 14.331 3.392 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 51 14.199 5.994 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.411 3.171 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.104 4.633 -5.904 1.00 0.00 H new ATOM 762 N ALA A 52 16.392 3.631 -7.072 1.00 0.00 N ATOM 763 CA ALA A 52 17.640 3.319 -6.379 1.00 0.00 C ATOM 764 C ALA A 52 18.436 2.283 -7.176 1.00 0.00 C ATOM 765 O ALA A 52 17.955 1.780 -8.190 1.00 0.00 O ATOM 766 CB ALA A 52 17.320 2.791 -4.979 1.00 0.00 C ATOM 0 H ALA A 52 16.137 2.947 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 52 18.246 4.221 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.248 2.557 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.772 3.550 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.712 1.890 -5.060 1.00 0.00 H new ATOM 772 N ALA A 53 19.653 1.955 -6.728 1.00 0.00 N ATOM 773 CA ALA A 53 20.467 0.958 -7.413 1.00 0.00 C ATOM 774 C ALA A 53 21.382 0.208 -6.442 1.00 0.00 C ATOM 775 O ALA A 53 21.553 0.622 -5.295 1.00 0.00 O ATOM 776 CB ALA A 53 21.287 1.639 -8.509 1.00 0.00 C ATOM 0 H ALA A 53 20.089 2.364 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 53 19.802 0.220 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.896 0.895 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.615 2.114 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.935 2.394 -8.063 1.00 0.00 H new ATOM 782 N ILE A 54 21.969 -0.896 -6.914 1.00 0.00 N ATOM 783 CA ILE A 54 22.920 -1.695 -6.151 1.00 0.00 C ATOM 784 C ILE A 54 24.205 -1.852 -6.966 1.00 0.00 C ATOM 785 O ILE A 54 24.140 -1.977 -8.188 1.00 0.00 O ATOM 786 CB ILE A 54 22.306 -3.055 -5.788 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.899 -2.857 -5.197 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.215 -3.787 -4.796 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.282 -4.185 -4.753 1.00 0.00 C ATOM 0 H ILE A 54 21.792 -1.261 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 54 23.162 -1.192 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 54 22.217 -3.662 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.954 -2.178 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.255 -2.386 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.775 -4.751 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.195 -3.943 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.323 -3.188 -3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.289 -4.005 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.204 -4.854 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.913 -4.643 -3.991 1.00 0.00 H new ATOM 801 N LEU A 55 25.366 -1.844 -6.302 1.00 0.00 N ATOM 802 CA LEU A 55 26.651 -1.788 -6.994 1.00 0.00 C ATOM 803 C LEU A 55 27.752 -2.529 -6.241 1.00 0.00 C ATOM 804 O LEU A 55 28.009 -2.242 -5.075 1.00 0.00 O ATOM 805 CB LEU A 55 27.036 -0.311 -7.150 1.00 0.00 C ATOM 806 CG LEU A 55 28.363 -0.138 -7.896 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.231 -0.570 -9.357 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.765 1.334 -7.845 1.00 0.00 C ATOM 0 H LEU A 55 25.438 -1.876 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 55 26.547 -2.279 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.247 0.214 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.111 0.150 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 55 29.119 -0.762 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.187 -0.437 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 55 27.940 -1.619 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.472 0.038 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.709 1.472 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.992 1.939 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.881 1.644 -6.806 1.00 0.00 H new ATOM 820 N ASP A 56 28.415 -3.483 -6.898 1.00 0.00 N ATOM 821 CA ASP A 56 29.598 -4.122 -6.341 1.00 0.00 C ATOM 822 C ASP A 56 30.841 -3.231 -6.424 1.00 0.00 C ATOM 823 O ASP A 56 30.966 -2.420 -7.341 1.00 0.00 O ATOM 824 CB ASP A 56 29.851 -5.520 -6.927 1.00 0.00 C ATOM 825 CG ASP A 56 29.703 -5.618 -8.451 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.215 -6.617 -8.999 1.00 0.00 O ATOM 827 OD2 ASP A 56 29.090 -4.711 -9.056 1.00 0.00 O ATOM 0 H ASP A 56 28.147 -3.828 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 56 29.386 -4.266 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 56 30.858 -5.836 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.159 -6.223 -6.463 1.00 0.00 H new ATOM 832 N VAL A 57 31.759 -3.382 -5.465 1.00 0.00 N ATOM 833 CA VAL A 57 32.953 -2.545 -5.396 1.00 0.00 C ATOM 834 C VAL A 57 33.861 -2.783 -6.599 1.00 0.00 C ATOM 835 O VAL A 57 34.547 -1.864 -7.043 1.00 0.00 O ATOM 836 CB VAL A 57 33.707 -2.830 -4.087 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.958 -1.958 -3.981 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.805 -2.539 -2.896 1.00 0.00 C ATOM 0 H VAL A 57 31.694 -4.080 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 57 32.647 -1.499 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 57 34.000 -3.880 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.476 -2.177 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.620 -2.168 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.671 -0.907 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.346 -2.743 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.503 -1.492 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.920 -3.173 -2.946 1.00 0.00 H new ATOM 848 N ASN A 58 33.866 -4.012 -7.131 1.00 0.00 N ATOM 849 CA ASN A 58 34.693 -4.359 -8.275 1.00 0.00 C ATOM 850 C ASN A 58 33.876 -5.150 -9.294 1.00 0.00 C ATOM 851 O ASN A 58 33.367 -6.228 -8.984 1.00 0.00 O ATOM 852 CB ASN A 58 35.907 -5.172 -7.817 1.00 0.00 C ATOM 853 CG ASN A 58 36.727 -4.439 -6.763 1.00 0.00 C ATOM 854 OD1 ASN A 58 37.100 -3.285 -6.948 1.00 0.00 O ATOM 855 ND2 ASN A 58 37.015 -5.110 -5.651 1.00 0.00 N ATOM 0 H ASN A 58 33.299 -4.783 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 58 35.045 -3.443 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.571 -6.127 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.539 -5.394 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.564 -4.666 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.687 -6.069 -5.534 1.00 0.00 H new ATOM 862 N LEU A 59 33.756 -4.609 -10.506 1.00 0.00 N ATOM 863 CA LEU A 59 33.078 -5.276 -11.608 1.00 0.00 C ATOM 864 C LEU A 59 34.092 -6.151 -12.348 1.00 0.00 C ATOM 865 O LEU A 59 35.217 -6.324 -11.881 1.00 0.00 O ATOM 866 CB LEU A 59 32.459 -4.215 -12.531 1.00 0.00 C ATOM 867 CG LEU A 59 31.063 -3.811 -12.043 1.00 0.00 C ATOM 868 CD1 LEU A 59 31.093 -3.267 -10.618 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.517 -2.714 -12.944 1.00 0.00 C ATOM 0 H LEU A 59 34.129 -3.691 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 59 32.273 -5.916 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.104 -3.337 -12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.395 -4.604 -13.547 1.00 0.00 H new ATOM 0 HG LEU A 59 30.437 -4.703 -12.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.083 -2.993 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.481 -4.031 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.736 -2.388 -10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.524 -2.423 -12.602 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.181 -1.850 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.454 -3.082 -13.968 1.00 0.00 H new ATOM 881 N ARG A 60 33.695 -6.704 -13.499 1.00 0.00 N ATOM 882 CA ARG A 60 34.579 -7.538 -14.306 1.00 0.00 C ATOM 883 C ARG A 60 35.901 -6.829 -14.582 1.00 0.00 C ATOM 884 O ARG A 60 35.942 -5.610 -14.740 1.00 0.00 O ATOM 885 CB ARG A 60 33.873 -7.927 -15.605 1.00 0.00 C ATOM 886 CG ARG A 60 32.846 -9.018 -15.319 1.00 0.00 C ATOM 887 CD ARG A 60 32.058 -9.356 -16.582 1.00 0.00 C ATOM 888 NE ARG A 60 31.178 -10.509 -16.353 1.00 0.00 N ATOM 889 CZ ARG A 60 30.565 -11.188 -17.327 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.709 -10.826 -18.602 1.00 0.00 N ATOM 891 NH2 ARG A 60 29.803 -12.234 -17.025 1.00 0.00 N ATOM 0 H ARG A 60 32.761 -6.585 -13.891 1.00 0.00 H new ATOM 0 HA ARG A 60 34.813 -8.447 -13.751 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.383 -7.056 -16.040 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.601 -8.280 -16.335 1.00 0.00 H new ATOM 0 HG2 ARG A 60 33.349 -9.911 -14.948 1.00 0.00 H new ATOM 0 HG3 ARG A 60 32.164 -8.687 -14.536 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.464 -8.494 -16.887 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.746 -9.574 -17.398 1.00 0.00 H new ATOM 0 HE ARG A 60 31.025 -10.810 -15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.292 -10.024 -18.842 1.00 0.00 H new ATOM 0 HH12 ARG A 60 30.237 -11.351 -19.338 1.00 0.00 H new ATOM 0 HH21 ARG A 60 29.687 -12.517 -16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 60 29.334 -12.754 -17.766 1.00 0.00 H new ATOM 905 N GLY A 61 36.985 -7.609 -14.635 1.00 0.00 N ATOM 906 CA GLY A 61 38.334 -7.072 -14.758 1.00 0.00 C ATOM 907 C GLY A 61 38.897 -6.675 -13.391 1.00 0.00 C ATOM 908 O GLY A 61 40.071 -6.317 -13.289 1.00 0.00 O ATOM 0 H GLY A 61 36.947 -8.627 -14.594 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.984 -7.815 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.324 -6.204 -15.417 1.00 0.00 H new ATOM 912 N GLY A 62 38.065 -6.743 -12.344 1.00 0.00 N ATOM 913 CA GLY A 62 38.474 -6.456 -10.978 1.00 0.00 C ATOM 914 C GLY A 62 38.695 -4.963 -10.738 1.00 0.00 C ATOM 915 O GLY A 62 39.158 -4.575 -9.666 1.00 0.00 O ATOM 0 H GLY A 62 37.082 -7.002 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.713 -6.823 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.394 -6.997 -10.756 1.00 0.00 H new ATOM 919 N GLU A 63 38.368 -4.121 -11.722 1.00 0.00 N ATOM 920 CA GLU A 63 38.570 -2.684 -11.612 1.00 0.00 C ATOM 921 C GLU A 63 37.503 -2.054 -10.713 1.00 0.00 C ATOM 922 O GLU A 63 36.357 -2.502 -10.693 1.00 0.00 O ATOM 923 CB GLU A 63 38.558 -2.068 -13.014 1.00 0.00 C ATOM 924 CG GLU A 63 38.849 -0.566 -12.947 1.00 0.00 C ATOM 925 CD GLU A 63 38.971 0.055 -14.338 1.00 0.00 C ATOM 926 OE1 GLU A 63 39.138 1.294 -14.400 1.00 0.00 O ATOM 927 OE2 GLU A 63 38.901 -0.707 -15.330 1.00 0.00 O ATOM 0 H GLU A 63 37.959 -4.418 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 63 39.537 -2.485 -11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.303 -2.560 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.588 -2.235 -13.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.053 -0.066 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.773 -0.400 -12.393 1.00 0.00 H new ATOM 934 N LYS A 64 37.894 -1.014 -9.966 1.00 0.00 N ATOM 935 CA LYS A 64 36.990 -0.293 -9.078 1.00 0.00 C ATOM 936 C LYS A 64 35.960 0.485 -9.893 1.00 0.00 C ATOM 937 O LYS A 64 36.259 0.962 -10.985 1.00 0.00 O ATOM 938 CB LYS A 64 37.819 0.635 -8.184 1.00 0.00 C ATOM 939 CG LYS A 64 36.936 1.442 -7.230 1.00 0.00 C ATOM 940 CD LYS A 64 37.825 2.283 -6.315 1.00 0.00 C ATOM 941 CE LYS A 64 36.969 3.131 -5.375 1.00 0.00 C ATOM 942 NZ LYS A 64 37.815 3.963 -4.496 1.00 0.00 N ATOM 0 H LYS A 64 38.848 -0.653 -9.964 1.00 0.00 H new ATOM 0 HA LYS A 64 36.442 -0.993 -8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.531 0.044 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.399 1.316 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.263 2.086 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.313 0.772 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.479 1.632 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.467 2.928 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.306 3.770 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 36.336 2.483 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.229 4.385 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 38.554 3.372 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.259 4.719 -5.056 1.00 0.00 H new ATOM 956 N SER A 65 34.740 0.617 -9.360 1.00 0.00 N ATOM 957 CA SER A 65 33.662 1.313 -10.049 1.00 0.00 C ATOM 958 C SER A 65 32.818 2.112 -9.058 1.00 0.00 C ATOM 959 O SER A 65 32.189 1.540 -8.169 1.00 0.00 O ATOM 960 CB SER A 65 32.787 0.286 -10.769 1.00 0.00 C ATOM 961 OG SER A 65 33.540 -0.387 -11.756 1.00 0.00 O ATOM 0 H SER A 65 34.479 0.246 -8.446 1.00 0.00 H new ATOM 0 HA SER A 65 34.089 2.008 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.390 -0.432 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.933 0.783 -11.228 1.00 0.00 H new ATOM 0 HG SER A 65 33.099 -1.232 -11.984 1.00 0.00 H new ATOM 967 N THR A 66 32.808 3.438 -9.215 1.00 0.00 N ATOM 968 CA THR A 66 31.943 4.333 -8.448 1.00 0.00 C ATOM 969 C THR A 66 31.251 5.460 -9.233 1.00 0.00 C ATOM 970 O THR A 66 30.612 6.305 -8.606 1.00 0.00 O ATOM 971 CB THR A 66 32.676 4.902 -7.224 1.00 0.00 C ATOM 972 OG1 THR A 66 33.345 6.093 -7.578 1.00 0.00 O ATOM 973 CG2 THR A 66 33.695 3.928 -6.649 1.00 0.00 C ATOM 0 H THR A 66 33.406 3.923 -9.884 1.00 0.00 H new ATOM 0 HA THR A 66 31.125 3.684 -8.133 1.00 0.00 H new ATOM 0 HB THR A 66 31.919 5.091 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 66 33.809 6.453 -6.794 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.184 4.380 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.190 3.012 -6.341 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.442 3.693 -7.407 1.00 0.00 H new ATOM 981 N PRO A 67 31.345 5.527 -10.573 1.00 0.00 N ATOM 982 CA PRO A 67 30.827 6.656 -11.325 1.00 0.00 C ATOM 983 C PRO A 67 29.303 6.685 -11.274 1.00 0.00 C ATOM 984 O PRO A 67 28.705 7.746 -11.450 1.00 0.00 O ATOM 985 CB PRO A 67 31.331 6.464 -12.758 1.00 0.00 C ATOM 986 CG PRO A 67 31.508 4.957 -12.868 1.00 0.00 C ATOM 987 CD PRO A 67 31.929 4.544 -11.464 1.00 0.00 C ATOM 0 HA PRO A 67 31.164 7.607 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.616 6.839 -13.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.269 6.993 -12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.583 4.465 -13.170 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.265 4.695 -13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.573 3.541 -11.228 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.015 4.527 -11.370 1.00 0.00 H new ATOM 995 N VAL A 68 28.670 5.528 -11.037 1.00 0.00 N ATOM 996 CA VAL A 68 27.219 5.460 -10.921 1.00 0.00 C ATOM 997 C VAL A 68 26.760 5.711 -9.492 1.00 0.00 C ATOM 998 O VAL A 68 25.658 6.199 -9.279 1.00 0.00 O ATOM 999 CB VAL A 68 26.707 4.107 -11.426 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.214 3.852 -12.843 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.146 2.962 -10.519 1.00 0.00 C ATOM 0 H VAL A 68 29.144 4.632 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 68 26.796 6.249 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 68 25.618 4.147 -11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.845 2.888 -13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.856 4.640 -13.505 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.304 3.845 -12.844 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.763 2.020 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.235 2.924 -10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.754 3.123 -9.515 1.00 0.00 H new ATOM 1011 N ALA A 69 27.592 5.384 -8.503 1.00 0.00 N ATOM 1012 CA ALA A 69 27.241 5.651 -7.119 1.00 0.00 C ATOM 1013 C ALA A 69 27.337 7.148 -6.854 1.00 0.00 C ATOM 1014 O ALA A 69 26.611 7.685 -6.020 1.00 0.00 O ATOM 1015 CB ALA A 69 28.180 4.862 -6.215 1.00 0.00 C ATOM 0 H ALA A 69 28.500 4.940 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 69 26.217 5.339 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.927 5.054 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.077 3.797 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.209 5.170 -6.401 1.00 0.00 H new ATOM 1021 N GLU A 70 28.239 7.825 -7.574 1.00 0.00 N ATOM 1022 CA GLU A 70 28.354 9.271 -7.516 1.00 0.00 C ATOM 1023 C GLU A 70 27.236 9.924 -8.323 1.00 0.00 C ATOM 1024 O GLU A 70 26.828 11.047 -8.027 1.00 0.00 O ATOM 1025 CB GLU A 70 29.724 9.690 -8.059 1.00 0.00 C ATOM 1026 CG GLU A 70 30.845 9.231 -7.119 1.00 0.00 C ATOM 1027 CD GLU A 70 30.872 10.031 -5.813 1.00 0.00 C ATOM 1028 OE1 GLU A 70 31.646 9.628 -4.916 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.126 11.031 -5.720 1.00 0.00 O ATOM 0 H GLU A 70 28.903 7.380 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 70 28.262 9.601 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.875 9.260 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.759 10.773 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.715 8.173 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.805 9.333 -7.625 1.00 0.00 H new ATOM 1036 N ALA A 71 26.735 9.223 -9.344 1.00 0.00 N ATOM 1037 CA ALA A 71 25.618 9.707 -10.141 1.00 0.00 C ATOM 1038 C ALA A 71 24.305 9.525 -9.384 1.00 0.00 C ATOM 1039 O ALA A 71 23.393 10.332 -9.533 1.00 0.00 O ATOM 1040 CB ALA A 71 25.580 8.952 -11.472 1.00 0.00 C ATOM 0 H ALA A 71 27.092 8.313 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 71 25.750 10.771 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.744 9.313 -12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.512 9.119 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.457 7.886 -11.282 1.00 0.00 H new ATOM 1046 N LEU A 72 24.201 8.472 -8.569 1.00 0.00 N ATOM 1047 CA LEU A 72 23.012 8.245 -7.757 1.00 0.00 C ATOM 1048 C LEU A 72 22.929 9.331 -6.685 1.00 0.00 C ATOM 1049 O LEU A 72 21.835 9.752 -6.318 1.00 0.00 O ATOM 1050 CB LEU A 72 23.085 6.847 -7.113 1.00 0.00 C ATOM 1051 CG LEU A 72 22.606 5.699 -8.020 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.229 5.221 -7.564 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.495 6.066 -9.494 1.00 0.00 C ATOM 0 H LEU A 72 24.928 7.766 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 72 22.118 8.290 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.115 6.652 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.485 6.849 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 72 23.368 4.925 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.894 4.409 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.289 4.866 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.520 6.046 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.151 5.200 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.783 6.883 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.471 6.378 -9.866 1.00 0.00 H new ATOM 1065 N ALA A 73 24.082 9.787 -6.187 1.00 0.00 N ATOM 1066 CA ALA A 73 24.130 10.855 -5.204 1.00 0.00 C ATOM 1067 C ALA A 73 23.773 12.201 -5.843 1.00 0.00 C ATOM 1068 O ALA A 73 23.239 13.082 -5.171 1.00 0.00 O ATOM 1069 CB ALA A 73 25.533 10.909 -4.596 1.00 0.00 C ATOM 0 H ALA A 73 24.997 9.425 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 73 23.398 10.654 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.579 11.708 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.758 9.957 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.263 11.100 -5.382 1.00 0.00 H new ATOM 1075 N ALA A 74 24.062 12.357 -7.141 1.00 0.00 N ATOM 1076 CA ALA A 74 23.756 13.580 -7.866 1.00 0.00 C ATOM 1077 C ALA A 74 22.288 13.601 -8.294 1.00 0.00 C ATOM 1078 O ALA A 74 21.684 14.670 -8.386 1.00 0.00 O ATOM 1079 CB ALA A 74 24.667 13.661 -9.091 1.00 0.00 C ATOM 0 H ALA A 74 24.512 11.639 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 74 23.927 14.440 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.450 14.574 -9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.709 13.671 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.493 12.796 -9.732 1.00 0.00 H new ATOM 1085 N ARG A 75 21.718 12.422 -8.554 1.00 0.00 N ATOM 1086 CA ARG A 75 20.326 12.272 -8.960 1.00 0.00 C ATOM 1087 C ARG A 75 19.400 12.169 -7.748 1.00 0.00 C ATOM 1088 O ARG A 75 18.201 11.951 -7.903 1.00 0.00 O ATOM 1089 CB ARG A 75 20.198 11.050 -9.867 1.00 0.00 C ATOM 1090 CG ARG A 75 20.931 11.300 -11.188 1.00 0.00 C ATOM 1091 CD ARG A 75 21.001 10.010 -12.000 1.00 0.00 C ATOM 1092 NE ARG A 75 21.850 10.175 -13.187 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.403 10.221 -14.448 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.100 10.148 -14.710 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.264 10.344 -15.453 1.00 0.00 N ATOM 0 H ARG A 75 22.220 11.536 -8.487 1.00 0.00 H new ATOM 0 HA ARG A 75 20.018 13.159 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.614 10.173 -9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.146 10.838 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.414 12.071 -11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.937 11.670 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.394 9.206 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.997 9.715 -12.306 1.00 0.00 H new ATOM 0 HE ARG A 75 22.856 10.261 -13.040 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.431 10.056 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.771 10.184 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.264 10.403 -15.263 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.924 10.379 -16.414 1.00 0.00 H new ATOM 1109 N ASP A 76 19.959 12.324 -6.544 1.00 0.00 N ATOM 1110 CA ASP A 76 19.217 12.266 -5.294 1.00 0.00 C ATOM 1111 C ASP A 76 18.420 10.962 -5.173 1.00 0.00 C ATOM 1112 O ASP A 76 17.245 10.972 -4.806 1.00 0.00 O ATOM 1113 CB ASP A 76 18.353 13.527 -5.145 1.00 0.00 C ATOM 1114 CG ASP A 76 17.580 13.553 -3.823 1.00 0.00 C ATOM 1115 OD1 ASP A 76 18.038 12.892 -2.863 1.00 0.00 O ATOM 1116 OD2 ASP A 76 16.533 14.240 -3.788 1.00 0.00 O ATOM 0 H ASP A 76 20.956 12.496 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 76 19.917 12.253 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.990 14.410 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.649 13.582 -5.975 1.00 0.00 H new ATOM 1121 N ILE A 77 19.065 9.833 -5.487 1.00 0.00 N ATOM 1122 CA ILE A 77 18.466 8.514 -5.332 1.00 0.00 C ATOM 1123 C ILE A 77 19.392 7.612 -4.507 1.00 0.00 C ATOM 1124 O ILE A 77 20.608 7.654 -4.701 1.00 0.00 O ATOM 1125 CB ILE A 77 18.157 7.894 -6.702 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.149 8.361 -7.774 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.743 8.307 -7.121 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.882 7.666 -9.110 1.00 0.00 C ATOM 0 H ILE A 77 20.016 9.814 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 77 17.522 8.615 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 77 18.240 6.811 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.071 9.441 -7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.168 8.151 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.510 7.873 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.026 7.949 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.685 9.394 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.600 8.016 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.984 6.588 -8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.871 7.898 -9.445 1.00 0.00 H new ATOM 1140 N PRO A 78 18.846 6.798 -3.590 1.00 0.00 N ATOM 1141 CA PRO A 78 19.625 5.941 -2.708 1.00 0.00 C ATOM 1142 C PRO A 78 20.386 4.858 -3.472 1.00 0.00 C ATOM 1143 O PRO A 78 20.005 4.487 -4.580 1.00 0.00 O ATOM 1144 CB PRO A 78 18.618 5.311 -1.742 1.00 0.00 C ATOM 1145 CG PRO A 78 17.363 6.174 -1.866 1.00 0.00 C ATOM 1146 CD PRO A 78 17.434 6.674 -3.299 1.00 0.00 C ATOM 0 HA PRO A 78 20.386 6.523 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.412 4.274 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.998 5.310 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.456 5.597 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.366 6.996 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.951 5.977 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.924 7.631 -3.407 1.00 0.00 H new ATOM 1154 N PHE A 79 21.464 4.348 -2.868 1.00 0.00 N ATOM 1155 CA PHE A 79 22.262 3.288 -3.465 1.00 0.00 C ATOM 1156 C PHE A 79 22.859 2.329 -2.435 1.00 0.00 C ATOM 1157 O PHE A 79 23.270 2.760 -1.359 1.00 0.00 O ATOM 1158 CB PHE A 79 23.332 3.872 -4.397 1.00 0.00 C ATOM 1159 CG PHE A 79 24.131 5.021 -3.819 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.445 4.808 -3.381 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.567 6.302 -3.736 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.200 5.878 -2.876 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.317 7.369 -3.225 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.635 7.158 -2.799 1.00 0.00 C ATOM 0 H PHE A 79 21.801 4.660 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 79 21.583 2.682 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.021 3.075 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.848 4.211 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.877 3.820 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.552 6.466 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 79 27.216 5.715 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 79 23.879 8.354 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.216 7.982 -2.411 1.00 0.00 H new ATOM 1174 N VAL A 80 22.917 1.035 -2.761 1.00 0.00 N ATOM 1175 CA VAL A 80 23.532 0.022 -1.902 1.00 0.00 C ATOM 1176 C VAL A 80 24.815 -0.471 -2.551 1.00 0.00 C ATOM 1177 O VAL A 80 24.926 -0.474 -3.777 1.00 0.00 O ATOM 1178 CB VAL A 80 22.573 -1.155 -1.682 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.226 -2.232 -0.821 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.307 -0.730 -0.957 1.00 0.00 C ATOM 0 H VAL A 80 22.538 0.660 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 80 23.756 0.467 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 80 22.330 -1.532 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.528 -3.057 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.125 -2.599 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.493 -1.811 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.657 -1.595 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.567 -0.317 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.787 0.027 -1.545 1.00 0.00 H new ATOM 1190 N PHE A 81 25.781 -0.897 -1.738 1.00 0.00 N ATOM 1191 CA PHE A 81 26.972 -1.559 -2.241 1.00 0.00 C ATOM 1192 C PHE A 81 26.959 -3.072 -2.058 1.00 0.00 C ATOM 1193 O PHE A 81 26.208 -3.591 -1.234 1.00 0.00 O ATOM 1194 CB PHE A 81 28.242 -0.901 -1.698 1.00 0.00 C ATOM 1195 CG PHE A 81 28.588 0.388 -2.402 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.110 1.609 -1.910 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.392 0.362 -3.550 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.446 2.804 -2.559 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.745 1.560 -4.187 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.272 2.783 -3.690 1.00 0.00 C ATOM 0 H PHE A 81 25.756 -0.792 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 81 26.970 -1.418 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.115 -0.704 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.075 -1.597 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.483 1.629 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.740 -0.582 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.067 3.744 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.381 1.541 -5.060 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.544 3.707 -4.178 1.00 0.00 H new ATOM 1210 N ALA A 82 27.787 -3.781 -2.826 1.00 0.00 N ATOM 1211 CA ALA A 82 27.896 -5.224 -2.719 1.00 0.00 C ATOM 1212 C ALA A 82 29.363 -5.621 -2.577 1.00 0.00 C ATOM 1213 O ALA A 82 30.230 -5.062 -3.247 1.00 0.00 O ATOM 1214 CB ALA A 82 27.240 -5.884 -3.931 1.00 0.00 C ATOM 0 H ALA A 82 28.395 -3.368 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 82 27.371 -5.572 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.325 -6.967 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.187 -5.604 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.739 -5.552 -4.841 1.00 0.00 H new ATOM 1220 N THR A 83 29.633 -6.592 -1.704 1.00 0.00 N ATOM 1221 CA THR A 83 30.990 -7.027 -1.406 1.00 0.00 C ATOM 1222 C THR A 83 31.036 -8.544 -1.299 1.00 0.00 C ATOM 1223 O THR A 83 30.011 -9.215 -1.411 1.00 0.00 O ATOM 1224 CB THR A 83 31.466 -6.374 -0.106 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.624 -6.743 0.961 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.472 -4.852 -0.231 1.00 0.00 C ATOM 0 H THR A 83 28.914 -7.097 -1.186 1.00 0.00 H new ATOM 0 HA THR A 83 31.656 -6.721 -2.212 1.00 0.00 H new ATOM 0 HB THR A 83 32.481 -6.720 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.939 -6.321 1.787 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.814 -4.411 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.143 -4.556 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.464 -4.501 -0.450 1.00 0.00 H new ATOM 1234 N GLY A 84 32.236 -9.094 -1.082 1.00 0.00 N ATOM 1235 CA GLY A 84 32.436 -10.532 -1.002 1.00 0.00 C ATOM 1236 C GLY A 84 33.651 -10.860 -0.136 1.00 0.00 C ATOM 1237 O GLY A 84 34.020 -10.073 0.739 1.00 0.00 O ATOM 0 H GLY A 84 33.090 -8.550 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.547 -11.005 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.575 -10.941 -2.003 1.00 0.00 H new ATOM 1241 N GLY A 85 34.272 -12.016 -0.382 1.00 0.00 N ATOM 1242 CA GLY A 85 35.418 -12.470 0.400 1.00 0.00 C ATOM 1243 C GLY A 85 36.686 -11.677 0.082 1.00 0.00 C ATOM 1244 O GLY A 85 37.691 -11.834 0.776 1.00 0.00 O ATOM 0 H GLY A 85 33.995 -12.658 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.190 -12.377 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.594 -13.527 0.203 1.00 0.00 H new ATOM 1248 N SER A 86 36.643 -10.831 -0.954 1.00 0.00 N ATOM 1249 CA SER A 86 37.784 -10.003 -1.334 1.00 0.00 C ATOM 1250 C SER A 86 37.337 -8.618 -1.799 1.00 0.00 C ATOM 1251 O SER A 86 38.144 -7.695 -1.855 1.00 0.00 O ATOM 1252 CB SER A 86 38.570 -10.700 -2.445 1.00 0.00 C ATOM 1253 OG SER A 86 39.109 -11.920 -1.981 1.00 0.00 O ATOM 0 H SER A 86 35.822 -10.705 -1.546 1.00 0.00 H new ATOM 0 HA SER A 86 38.420 -9.871 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.918 -10.885 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.373 -10.050 -2.793 1.00 0.00 H new ATOM 0 HG SER A 86 39.607 -12.354 -2.705 1.00 0.00 H new ATOM 1259 N ASP A 87 36.051 -8.469 -2.130 1.00 0.00 N ATOM 1260 CA ASP A 87 35.491 -7.182 -2.522 1.00 0.00 C ATOM 1261 C ASP A 87 35.055 -6.330 -1.328 1.00 0.00 C ATOM 1262 O ASP A 87 34.507 -5.246 -1.505 1.00 0.00 O ATOM 1263 CB ASP A 87 34.350 -7.379 -3.529 1.00 0.00 C ATOM 1264 CG ASP A 87 34.859 -7.836 -4.894 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.090 -7.760 -5.114 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.005 -8.255 -5.705 1.00 0.00 O ATOM 0 H ASP A 87 35.377 -9.234 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 87 36.288 -6.619 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.647 -8.116 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.802 -6.444 -3.642 1.00 0.00 H new ATOM 1271 N ASP A 88 35.304 -6.823 -0.110 1.00 0.00 N ATOM 1272 CA ASP A 88 34.949 -6.108 1.113 1.00 0.00 C ATOM 1273 C ASP A 88 35.882 -4.929 1.388 1.00 0.00 C ATOM 1274 O ASP A 88 35.787 -4.290 2.434 1.00 0.00 O ATOM 1275 CB ASP A 88 34.885 -7.074 2.304 1.00 0.00 C ATOM 1276 CG ASP A 88 36.168 -7.886 2.495 1.00 0.00 C ATOM 1277 OD1 ASP A 88 36.146 -8.769 3.384 1.00 0.00 O ATOM 1278 OD2 ASP A 88 37.147 -7.628 1.761 1.00 0.00 O ATOM 0 H ASP A 88 35.755 -7.724 0.052 1.00 0.00 H new ATOM 0 HA ASP A 88 33.956 -5.683 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.684 -6.507 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.048 -7.758 2.163 1.00 0.00 H new ATOM 1283 N SER A 89 36.782 -4.637 0.445 1.00 0.00 N ATOM 1284 CA SER A 89 37.676 -3.491 0.515 1.00 0.00 C ATOM 1285 C SER A 89 36.939 -2.220 0.077 1.00 0.00 C ATOM 1286 O SER A 89 37.522 -1.344 -0.561 1.00 0.00 O ATOM 1287 CB SER A 89 38.908 -3.759 -0.352 1.00 0.00 C ATOM 1288 OG SER A 89 39.848 -2.713 -0.202 1.00 0.00 O ATOM 0 H SER A 89 36.907 -5.200 -0.396 1.00 0.00 H new ATOM 0 HA SER A 89 38.007 -3.338 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.362 -4.709 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 89 38.614 -3.846 -1.398 1.00 0.00 H new ATOM 0 HG SER A 89 39.390 -1.849 -0.272 1.00 0.00 H new ATOM 1294 N VAL A 90 35.649 -2.117 0.421 1.00 0.00 N ATOM 1295 CA VAL A 90 34.814 -0.984 0.038 1.00 0.00 C ATOM 1296 C VAL A 90 35.429 0.313 0.560 1.00 0.00 C ATOM 1297 O VAL A 90 36.003 0.347 1.649 1.00 0.00 O ATOM 1298 CB VAL A 90 33.380 -1.199 0.558 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.359 -1.423 2.070 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.497 0.005 0.226 1.00 0.00 C ATOM 0 H VAL A 90 35.159 -2.821 0.974 1.00 0.00 H new ATOM 0 HA VAL A 90 34.763 -0.907 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 90 32.992 -2.089 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.331 -1.571 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.950 -2.305 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.781 -0.553 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.489 -0.168 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.910 0.899 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.462 0.144 -0.855 1.00 0.00 H new ATOM 1310 N ASP A 91 35.307 1.382 -0.228 1.00 0.00 N ATOM 1311 CA ASP A 91 35.936 2.659 0.068 1.00 0.00 C ATOM 1312 C ASP A 91 35.188 3.306 1.236 1.00 0.00 C ATOM 1313 O ASP A 91 33.975 3.142 1.371 1.00 0.00 O ATOM 1314 CB ASP A 91 35.839 3.534 -1.186 1.00 0.00 C ATOM 1315 CG ASP A 91 36.798 4.723 -1.156 1.00 0.00 C ATOM 1316 OD1 ASP A 91 36.835 5.445 -2.177 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.479 4.896 -0.123 1.00 0.00 O ATOM 0 H ASP A 91 34.765 1.381 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 91 36.983 2.536 0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.050 2.925 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.817 3.900 -1.290 1.00 0.00 H new ATOM 1322 N SER A 92 35.911 4.047 2.084 1.00 0.00 N ATOM 1323 CA SER A 92 35.328 4.679 3.261 1.00 0.00 C ATOM 1324 C SER A 92 34.339 5.773 2.868 1.00 0.00 C ATOM 1325 O SER A 92 33.595 6.265 3.717 1.00 0.00 O ATOM 1326 CB SER A 92 36.446 5.256 4.130 1.00 0.00 C ATOM 1327 OG SER A 92 37.119 6.283 3.427 1.00 0.00 O ATOM 0 H SER A 92 36.910 4.221 1.970 1.00 0.00 H new ATOM 0 HA SER A 92 34.778 3.927 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.031 5.650 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.149 4.469 4.404 1.00 0.00 H new ATOM 0 HG SER A 92 37.833 6.650 3.989 1.00 0.00 H new ATOM 1333 N ARG A 93 34.324 6.157 1.587 1.00 0.00 N ATOM 1334 CA ARG A 93 33.389 7.145 1.071 1.00 0.00 C ATOM 1335 C ARG A 93 31.973 6.573 1.004 1.00 0.00 C ATOM 1336 O ARG A 93 31.035 7.311 0.709 1.00 0.00 O ATOM 1337 CB ARG A 93 33.840 7.591 -0.322 1.00 0.00 C ATOM 1338 CG ARG A 93 35.252 8.191 -0.304 1.00 0.00 C ATOM 1339 CD ARG A 93 35.329 9.412 0.614 1.00 0.00 C ATOM 1340 NE ARG A 93 34.362 10.442 0.213 1.00 0.00 N ATOM 1341 CZ ARG A 93 33.677 11.202 1.070 1.00 0.00 C ATOM 1342 NH1 ARG A 93 33.848 11.071 2.383 1.00 0.00 N ATOM 1343 NH2 ARG A 93 32.813 12.101 0.607 1.00 0.00 N ATOM 0 H ARG A 93 34.963 5.787 0.883 1.00 0.00 H new ATOM 0 HA ARG A 93 33.377 8.002 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 93 33.817 6.738 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 93 33.138 8.328 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 93 35.965 7.437 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 93 35.541 8.476 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.135 9.109 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 93 36.337 9.826 0.588 1.00 0.00 H new ATOM 0 HE ARG A 93 34.204 10.586 -0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.509 10.384 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 93 33.318 11.658 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.677 12.207 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.287 12.685 1.257 1.00 0.00 H new ATOM 1357 N PHE A 94 31.814 5.274 1.273 1.00 0.00 N ATOM 1358 CA PHE A 94 30.520 4.614 1.163 1.00 0.00 C ATOM 1359 C PHE A 94 30.278 3.694 2.358 1.00 0.00 C ATOM 1360 O PHE A 94 29.280 2.978 2.387 1.00 0.00 O ATOM 1361 CB PHE A 94 30.480 3.820 -0.140 1.00 0.00 C ATOM 1362 CG PHE A 94 30.864 4.641 -1.352 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.041 5.687 -1.785 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.054 4.356 -2.041 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.410 6.458 -2.898 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.423 5.125 -3.151 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.600 6.175 -3.582 1.00 0.00 C ATOM 0 H PHE A 94 32.573 4.660 1.570 1.00 0.00 H new ATOM 0 HA PHE A 94 29.730 5.365 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.154 2.967 -0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.476 3.420 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.121 5.901 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.685 3.543 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.777 7.269 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.342 4.909 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.883 6.766 -4.441 1.00 0.00 H new ATOM 1377 N ARG A 95 31.177 3.698 3.350 1.00 0.00 N ATOM 1378 CA ARG A 95 30.969 2.930 4.574 1.00 0.00 C ATOM 1379 C ARG A 95 29.900 3.573 5.456 1.00 0.00 C ATOM 1380 O ARG A 95 29.500 3.000 6.468 1.00 0.00 O ATOM 1381 CB ARG A 95 32.294 2.771 5.320 1.00 0.00 C ATOM 1382 CG ARG A 95 33.195 1.806 4.545 1.00 0.00 C ATOM 1383 CD ARG A 95 34.522 1.602 5.272 1.00 0.00 C ATOM 1384 NE ARG A 95 35.425 0.768 4.466 1.00 0.00 N ATOM 1385 CZ ARG A 95 36.168 -0.228 4.952 1.00 0.00 C ATOM 1386 NH1 ARG A 95 36.151 -0.525 6.252 1.00 0.00 N ATOM 1387 NH2 ARG A 95 36.934 -0.935 4.128 1.00 0.00 N ATOM 0 H ARG A 95 32.051 4.224 3.325 1.00 0.00 H new ATOM 0 HA ARG A 95 30.605 1.938 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.784 3.739 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.115 2.392 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 95 32.690 0.848 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.380 2.197 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 95 34.988 2.567 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.346 1.129 6.238 1.00 0.00 H new ATOM 0 HE ARG A 95 35.488 0.964 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 95 35.564 0.012 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 95 36.725 -1.289 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 95 36.951 -0.715 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 95 37.505 -1.698 4.491 1.00 0.00 H new ATOM 1401 N ASP A 96 29.437 4.762 5.065 1.00 0.00 N ATOM 1402 CA ASP A 96 28.314 5.438 5.703 1.00 0.00 C ATOM 1403 C ASP A 96 26.974 4.982 5.125 1.00 0.00 C ATOM 1404 O ASP A 96 25.924 5.533 5.458 1.00 0.00 O ATOM 1405 CB ASP A 96 28.476 6.959 5.594 1.00 0.00 C ATOM 1406 CG ASP A 96 28.756 7.439 4.168 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.990 8.659 4.020 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.733 6.594 3.245 1.00 0.00 O ATOM 0 H ASP A 96 29.838 5.286 4.287 1.00 0.00 H new ATOM 0 HA ASP A 96 28.315 5.164 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.569 7.441 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 96 29.291 7.278 6.244 1.00 0.00 H new ATOM 1413 N ARG A 97 27.022 3.966 4.259 1.00 0.00 N ATOM 1414 CA ARG A 97 25.862 3.428 3.562 1.00 0.00 C ATOM 1415 C ARG A 97 25.834 1.905 3.702 1.00 0.00 C ATOM 1416 O ARG A 97 26.858 1.294 4.010 1.00 0.00 O ATOM 1417 CB ARG A 97 25.918 3.880 2.098 1.00 0.00 C ATOM 1418 CG ARG A 97 25.133 5.180 1.928 1.00 0.00 C ATOM 1419 CD ARG A 97 25.495 5.860 0.611 1.00 0.00 C ATOM 1420 NE ARG A 97 26.831 6.475 0.681 1.00 0.00 N ATOM 1421 CZ ARG A 97 27.073 7.772 0.464 1.00 0.00 C ATOM 1422 NH1 ARG A 97 26.082 8.610 0.175 1.00 0.00 N ATOM 1423 NH2 ARG A 97 28.315 8.241 0.537 1.00 0.00 N ATOM 0 H ARG A 97 27.891 3.487 4.021 1.00 0.00 H new ATOM 0 HA ARG A 97 24.937 3.804 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.954 4.027 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.502 3.106 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 97 24.064 4.971 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 97 25.346 5.851 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.469 5.130 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 97 24.752 6.622 0.376 1.00 0.00 H new ATOM 0 HE ARG A 97 27.622 5.873 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 97 25.124 8.266 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 97 26.280 9.597 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 97 29.086 7.611 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 97 28.497 9.231 0.371 1.00 0.00 H new ATOM 1437 N PRO A 98 24.670 1.277 3.477 1.00 0.00 N ATOM 1438 CA PRO A 98 24.492 -0.148 3.675 1.00 0.00 C ATOM 1439 C PRO A 98 25.253 -0.935 2.613 1.00 0.00 C ATOM 1440 O PRO A 98 25.574 -0.409 1.548 1.00 0.00 O ATOM 1441 CB PRO A 98 22.989 -0.395 3.574 1.00 0.00 C ATOM 1442 CG PRO A 98 22.507 0.744 2.679 1.00 0.00 C ATOM 1443 CD PRO A 98 23.444 1.897 3.014 1.00 0.00 C ATOM 0 HA PRO A 98 24.881 -0.475 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.770 -1.370 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.510 -0.368 4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.566 0.475 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.468 1.001 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.626 2.522 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.015 2.541 3.782 1.00 0.00 H new ATOM 1451 N VAL A 99 25.534 -2.206 2.907 1.00 0.00 N ATOM 1452 CA VAL A 99 26.260 -3.061 1.988 1.00 0.00 C ATOM 1453 C VAL A 99 25.799 -4.499 2.152 1.00 0.00 C ATOM 1454 O VAL A 99 25.793 -5.046 3.255 1.00 0.00 O ATOM 1455 CB VAL A 99 27.769 -2.922 2.243 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.123 -3.133 3.721 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.554 -3.939 1.422 1.00 0.00 C ATOM 0 H VAL A 99 25.265 -2.660 3.780 1.00 0.00 H new ATOM 0 HA VAL A 99 26.059 -2.759 0.960 1.00 0.00 H new ATOM 0 HB VAL A 99 28.037 -1.907 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.199 -3.026 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.605 -2.391 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.816 -4.132 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.620 -3.821 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.243 -4.947 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.361 -3.777 0.361 1.00 0.00 H new ATOM 1467 N LEU A 100 25.414 -5.108 1.032 1.00 0.00 N ATOM 1468 CA LEU A 100 25.160 -6.538 0.972 1.00 0.00 C ATOM 1469 C LEU A 100 26.479 -7.259 0.707 1.00 0.00 C ATOM 1470 O LEU A 100 27.392 -6.680 0.121 1.00 0.00 O ATOM 1471 CB LEU A 100 24.130 -6.834 -0.121 1.00 0.00 C ATOM 1472 CG LEU A 100 22.773 -6.186 0.186 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.824 -6.429 -0.986 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.151 -6.798 1.439 1.00 0.00 C ATOM 0 H LEU A 100 25.271 -4.623 0.146 1.00 0.00 H new ATOM 0 HA LEU A 100 24.751 -6.893 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.500 -6.467 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.004 -7.912 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 100 22.930 -5.119 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.858 -5.971 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.243 -5.989 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.693 -7.501 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.190 -6.323 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.003 -7.867 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.815 -6.641 2.289 1.00 0.00 H new ATOM 1486 N GLN A 101 26.590 -8.516 1.137 1.00 0.00 N ATOM 1487 CA GLN A 101 27.846 -9.248 1.045 1.00 0.00 C ATOM 1488 C GLN A 101 27.575 -10.695 0.622 1.00 0.00 C ATOM 1489 O GLN A 101 27.059 -10.935 -0.468 1.00 0.00 O ATOM 1490 CB GLN A 101 28.580 -9.132 2.389 1.00 0.00 C ATOM 1491 CG GLN A 101 30.040 -9.579 2.275 1.00 0.00 C ATOM 1492 CD GLN A 101 30.846 -9.177 3.504 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.289 -8.906 4.565 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.170 -9.135 3.371 1.00 0.00 N ATOM 0 H GLN A 101 25.823 -9.046 1.552 1.00 0.00 H new ATOM 0 HA GLN A 101 28.495 -8.824 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.541 -8.100 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.070 -9.740 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.081 -10.661 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.488 -9.138 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.600 -9.366 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.754 -8.872 4.165 1.00 0.00 H new ATOM 1503 N LYS A 102 27.921 -11.655 1.488 1.00 0.00 N ATOM 1504 CA LYS A 102 27.624 -13.068 1.293 1.00 0.00 C ATOM 1505 C LYS A 102 26.120 -13.275 1.091 1.00 0.00 C ATOM 1506 O LYS A 102 25.337 -12.367 1.369 1.00 0.00 O ATOM 1507 CB LYS A 102 28.184 -13.873 2.481 1.00 0.00 C ATOM 1508 CG LYS A 102 27.896 -13.251 3.854 1.00 0.00 C ATOM 1509 CD LYS A 102 26.406 -13.271 4.204 1.00 0.00 C ATOM 1510 CE LYS A 102 26.182 -12.830 5.654 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.851 -13.736 6.604 1.00 0.00 N ATOM 0 H LYS A 102 28.423 -11.463 2.355 1.00 0.00 H new ATOM 0 HA LYS A 102 28.109 -13.433 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.763 -14.878 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.262 -13.975 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.453 -13.792 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.255 -12.222 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.861 -12.611 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.007 -14.275 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.559 -11.816 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.113 -12.803 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.187 -13.998 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.163 -14.593 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.676 -13.257 7.018 1.00 0.00 H new ATOM 1525 N PRO A 103 25.691 -14.452 0.610 1.00 0.00 N ATOM 1526 CA PRO A 103 24.289 -14.742 0.369 1.00 0.00 C ATOM 1527 C PRO A 103 23.426 -14.346 1.564 1.00 0.00 C ATOM 1528 O PRO A 103 23.836 -14.499 2.715 1.00 0.00 O ATOM 1529 CB PRO A 103 24.218 -16.235 0.063 1.00 0.00 C ATOM 1530 CG PRO A 103 25.605 -16.538 -0.510 1.00 0.00 C ATOM 1531 CD PRO A 103 26.524 -15.577 0.245 1.00 0.00 C ATOM 0 HA PRO A 103 23.894 -14.163 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.015 -16.821 0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.428 -16.463 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.889 -17.577 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.641 -16.365 -1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.949 -16.053 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.359 -15.260 -0.380 1.00 0.00 H new ATOM 1539 N PHE A 104 22.224 -13.837 1.283 1.00 0.00 N ATOM 1540 CA PHE A 104 21.371 -13.210 2.281 1.00 0.00 C ATOM 1541 C PHE A 104 19.929 -13.704 2.298 1.00 0.00 C ATOM 1542 O PHE A 104 19.406 -14.149 1.275 1.00 0.00 O ATOM 1543 CB PHE A 104 21.475 -11.685 2.177 1.00 0.00 C ATOM 1544 CG PHE A 104 21.697 -11.204 0.757 1.00 0.00 C ATOM 1545 CD1 PHE A 104 22.941 -10.678 0.382 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.665 -11.300 -0.186 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.162 -10.276 -0.944 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.883 -10.889 -1.508 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.132 -10.379 -1.887 1.00 0.00 C ATOM 0 H PHE A 104 21.817 -13.851 0.348 1.00 0.00 H new ATOM 0 HA PHE A 104 21.753 -13.524 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.562 -11.236 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.296 -11.338 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.729 -10.582 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.701 -11.691 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.126 -9.887 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.088 -10.965 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.300 -10.065 -2.907 1.00 0.00 H new ATOM 1559 N THR A 105 19.290 -13.619 3.468 1.00 0.00 N ATOM 1560 CA THR A 105 17.890 -13.998 3.633 1.00 0.00 C ATOM 1561 C THR A 105 16.933 -12.873 3.258 1.00 0.00 C ATOM 1562 O THR A 105 17.364 -11.767 2.931 1.00 0.00 O ATOM 1563 CB THR A 105 17.625 -14.510 5.055 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.401 -13.412 5.912 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.798 -15.327 5.592 1.00 0.00 C ATOM 0 H THR A 105 19.731 -13.285 4.325 1.00 0.00 H new ATOM 0 HA THR A 105 17.696 -14.813 2.936 1.00 0.00 H new ATOM 0 HB THR A 105 16.748 -15.157 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.230 -13.736 6.821 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.570 -15.671 6.601 1.00 0.00 H new ATOM 0 HG22 THR A 105 18.968 -16.188 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.694 -14.707 5.614 1.00 0.00 H new ATOM 1573 N MET A 106 15.630 -13.157 3.307 1.00 0.00 N ATOM 1574 CA MET A 106 14.616 -12.158 3.015 1.00 0.00 C ATOM 1575 C MET A 106 14.720 -10.998 4.007 1.00 0.00 C ATOM 1576 O MET A 106 14.386 -9.862 3.673 1.00 0.00 O ATOM 1577 CB MET A 106 13.239 -12.826 3.107 1.00 0.00 C ATOM 1578 CG MET A 106 12.085 -11.855 2.842 1.00 0.00 C ATOM 1579 SD MET A 106 11.806 -11.439 1.097 1.00 0.00 S ATOM 1580 CE MET A 106 12.987 -10.085 0.886 1.00 0.00 C ATOM 0 H MET A 106 15.258 -14.076 3.548 1.00 0.00 H new ATOM 0 HA MET A 106 14.762 -11.756 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.190 -13.645 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.119 -13.263 4.098 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.169 -12.286 3.247 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.274 -10.933 3.392 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.841 -9.624 -0.091 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.830 -9.340 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.003 -10.474 0.955 1.00 0.00 H new ATOM 1590 N ASP A 107 15.185 -11.283 5.229 1.00 0.00 N ATOM 1591 CA ASP A 107 15.368 -10.268 6.252 1.00 0.00 C ATOM 1592 C ASP A 107 16.694 -9.523 6.092 1.00 0.00 C ATOM 1593 O ASP A 107 16.837 -8.405 6.581 1.00 0.00 O ATOM 1594 CB ASP A 107 15.270 -10.905 7.640 1.00 0.00 C ATOM 1595 CG ASP A 107 13.865 -11.432 7.947 1.00 0.00 C ATOM 1596 OD1 ASP A 107 12.953 -11.202 7.119 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.719 -12.067 9.017 1.00 0.00 O ATOM 0 H ASP A 107 15.442 -12.224 5.528 1.00 0.00 H new ATOM 0 HA ASP A 107 14.573 -9.531 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.985 -11.724 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.551 -10.170 8.394 1.00 0.00 H new ATOM 1602 N GLY A 108 17.664 -10.141 5.410 1.00 0.00 N ATOM 1603 CA GLY A 108 18.981 -9.549 5.221 1.00 0.00 C ATOM 1604 C GLY A 108 18.942 -8.413 4.207 1.00 0.00 C ATOM 1605 O GLY A 108 19.628 -7.405 4.374 1.00 0.00 O ATOM 0 H GLY A 108 17.554 -11.059 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.353 -9.174 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.680 -10.314 4.885 1.00 0.00 H new ATOM 1609 N VAL A 109 18.142 -8.565 3.149 1.00 0.00 N ATOM 1610 CA VAL A 109 17.982 -7.510 2.158 1.00 0.00 C ATOM 1611 C VAL A 109 17.050 -6.425 2.681 1.00 0.00 C ATOM 1612 O VAL A 109 17.157 -5.266 2.283 1.00 0.00 O ATOM 1613 CB VAL A 109 17.471 -8.090 0.836 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.362 -9.238 0.376 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.038 -8.603 0.980 1.00 0.00 C ATOM 0 H VAL A 109 17.598 -9.407 2.961 1.00 0.00 H new ATOM 0 HA VAL A 109 18.955 -7.055 1.971 1.00 0.00 H new ATOM 0 HB VAL A 109 17.493 -7.289 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.984 -9.638 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.379 -8.874 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.361 -10.024 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.700 -9.010 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.006 -9.384 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.386 -7.782 1.276 1.00 0.00 H new ATOM 1625 N ALA A 110 16.131 -6.793 3.578 1.00 0.00 N ATOM 1626 CA ALA A 110 15.240 -5.827 4.194 1.00 0.00 C ATOM 1627 C ALA A 110 16.016 -4.973 5.197 1.00 0.00 C ATOM 1628 O ALA A 110 15.659 -3.823 5.438 1.00 0.00 O ATOM 1629 CB ALA A 110 14.102 -6.577 4.887 1.00 0.00 C ATOM 0 H ALA A 110 15.991 -7.754 3.889 1.00 0.00 H new ATOM 0 HA ALA A 110 14.822 -5.165 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.426 -5.861 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.555 -7.167 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.513 -7.238 5.650 1.00 0.00 H new ATOM 1635 N LYS A 111 17.081 -5.540 5.771 1.00 0.00 N ATOM 1636 CA LYS A 111 17.931 -4.846 6.724 1.00 0.00 C ATOM 1637 C LYS A 111 18.740 -3.757 6.024 1.00 0.00 C ATOM 1638 O LYS A 111 18.938 -2.678 6.572 1.00 0.00 O ATOM 1639 CB LYS A 111 18.861 -5.878 7.367 1.00 0.00 C ATOM 1640 CG LYS A 111 19.707 -5.260 8.477 1.00 0.00 C ATOM 1641 CD LYS A 111 20.641 -6.337 9.030 1.00 0.00 C ATOM 1642 CE LYS A 111 21.375 -5.809 10.264 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.274 -6.835 10.831 1.00 0.00 N ATOM 0 H LYS A 111 17.374 -6.499 5.582 1.00 0.00 H new ATOM 0 HA LYS A 111 17.322 -4.363 7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.269 -6.698 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.514 -6.304 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.284 -4.420 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.067 -4.870 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.069 -7.228 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.361 -6.632 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 111 21.952 -4.924 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.650 -5.501 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.758 -6.449 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.718 -7.669 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 22.980 -7.110 10.118 1.00 0.00 H new ATOM 1657 N ALA A 112 19.208 -4.046 4.805 1.00 0.00 N ATOM 1658 CA ALA A 112 20.000 -3.099 4.037 1.00 0.00 C ATOM 1659 C ALA A 112 19.131 -1.948 3.535 1.00 0.00 C ATOM 1660 O ALA A 112 19.556 -0.800 3.569 1.00 0.00 O ATOM 1661 CB ALA A 112 20.654 -3.830 2.865 1.00 0.00 C ATOM 0 H ALA A 112 19.047 -4.936 4.333 1.00 0.00 H new ATOM 0 HA ALA A 112 20.774 -2.675 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.250 -3.126 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.298 -4.623 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.881 -4.263 2.229 1.00 0.00 H new ATOM 1667 N LEU A 113 17.916 -2.255 3.072 1.00 0.00 N ATOM 1668 CA LEU A 113 17.020 -1.232 2.551 1.00 0.00 C ATOM 1669 C LEU A 113 16.472 -0.377 3.694 1.00 0.00 C ATOM 1670 O LEU A 113 16.170 0.796 3.493 1.00 0.00 O ATOM 1671 CB LEU A 113 15.864 -1.913 1.802 1.00 0.00 C ATOM 1672 CG LEU A 113 16.097 -1.998 0.284 1.00 0.00 C ATOM 1673 CD1 LEU A 113 16.024 -0.602 -0.330 1.00 0.00 C ATOM 1674 CD2 LEU A 113 17.443 -2.629 -0.060 1.00 0.00 C ATOM 0 H LEU A 113 17.536 -3.201 3.049 1.00 0.00 H new ATOM 0 HA LEU A 113 17.568 -0.583 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.724 -2.918 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.942 -1.364 1.992 1.00 0.00 H new ATOM 0 HG LEU A 113 15.314 -2.635 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 113 16.190 -0.668 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 113 15.041 -0.172 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 113 16.790 0.032 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.561 -2.667 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.246 -2.032 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.485 -3.640 0.345 1.00 0.00 H new ATOM 1686 N ALA A 114 16.347 -0.951 4.893 1.00 0.00 N ATOM 1687 CA ALA A 114 15.873 -0.203 6.049 1.00 0.00 C ATOM 1688 C ALA A 114 16.957 0.754 6.540 1.00 0.00 C ATOM 1689 O ALA A 114 16.647 1.816 7.080 1.00 0.00 O ATOM 1690 CB ALA A 114 15.483 -1.184 7.153 1.00 0.00 C ATOM 0 H ALA A 114 16.568 -1.928 5.084 1.00 0.00 H new ATOM 0 HA ALA A 114 15.001 0.388 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.127 -0.631 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.692 -1.842 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.351 -1.780 7.433 1.00 0.00 H new ATOM 1696 N ALA A 115 18.226 0.382 6.351 1.00 0.00 N ATOM 1697 CA ALA A 115 19.358 1.217 6.718 1.00 0.00 C ATOM 1698 C ALA A 115 19.697 2.205 5.600 1.00 0.00 C ATOM 1699 O ALA A 115 20.504 3.112 5.800 1.00 0.00 O ATOM 1700 CB ALA A 115 20.558 0.339 7.047 1.00 0.00 C ATOM 0 H ALA A 115 18.491 -0.512 5.937 1.00 0.00 H new ATOM 0 HA ALA A 115 19.092 1.798 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.405 0.968 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.310 -0.319 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.820 -0.261 6.176 1.00 0.00 H new ATOM 1706 N LEU A 116 19.092 2.039 4.422 1.00 0.00 N ATOM 1707 CA LEU A 116 19.369 2.884 3.275 1.00 0.00 C ATOM 1708 C LEU A 116 18.704 4.256 3.404 1.00 0.00 C ATOM 1709 O LEU A 116 19.166 5.228 2.810 1.00 0.00 O ATOM 1710 CB LEU A 116 18.877 2.154 2.027 1.00 0.00 C ATOM 1711 CG LEU A 116 19.271 2.871 0.743 1.00 0.00 C ATOM 1712 CD1 LEU A 116 20.789 2.994 0.627 1.00 0.00 C ATOM 1713 CD2 LEU A 116 18.759 2.054 -0.437 1.00 0.00 C ATOM 0 H LEU A 116 18.398 1.313 4.244 1.00 0.00 H new ATOM 0 HA LEU A 116 20.441 3.069 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 116 19.285 1.143 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.792 2.059 2.069 1.00 0.00 H new ATOM 0 HG LEU A 116 18.840 3.872 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.043 3.510 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.174 3.560 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 116 21.235 2.000 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 116 19.031 2.550 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.205 1.060 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.674 1.966 -0.376 1.00 0.00 H new ATOM 1725 N LEU A 117 17.618 4.334 4.180 1.00 0.00 N ATOM 1726 CA LEU A 117 16.841 5.562 4.320 1.00 0.00 C ATOM 1727 C LEU A 117 17.305 6.393 5.524 1.00 0.00 C ATOM 1728 O LEU A 117 16.747 7.460 5.787 1.00 0.00 O ATOM 1729 CB LEU A 117 15.356 5.209 4.451 1.00 0.00 C ATOM 1730 CG LEU A 117 14.683 5.068 3.083 1.00 0.00 C ATOM 1731 CD1 LEU A 117 15.260 3.904 2.278 1.00 0.00 C ATOM 1732 CD2 LEU A 117 13.189 4.829 3.293 1.00 0.00 C ATOM 0 H LEU A 117 17.257 3.550 4.724 1.00 0.00 H new ATOM 0 HA LEU A 117 16.996 6.172 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.251 4.276 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.848 5.982 5.028 1.00 0.00 H new ATOM 0 HG LEU A 117 14.862 5.986 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.753 3.841 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.326 4.066 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.113 2.974 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.697 4.727 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.044 3.917 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.758 5.673 3.832 1.00 0.00 H new ATOM 1744 N VAL A 118 18.313 5.919 6.264 1.00 0.00 N ATOM 1745 CA VAL A 118 18.810 6.634 7.441 1.00 0.00 C ATOM 1746 C VAL A 118 19.551 7.917 7.071 1.00 0.00 C ATOM 1747 O VAL A 118 20.095 7.973 5.946 1.00 0.00 O ATOM 1748 CB VAL A 118 19.656 5.712 8.330 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.989 4.346 8.478 1.00 0.00 C ATOM 1750 CG2 VAL A 118 21.060 5.561 7.743 1.00 0.00 C ATOM 0 H VAL A 118 18.799 5.044 6.068 1.00 0.00 H new ATOM 0 HA VAL A 118 17.942 6.944 8.023 1.00 0.00 H new ATOM 0 HB VAL A 118 19.736 6.161 9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 118 19.604 3.707 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.006 4.469 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.880 3.886 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 118 21.652 4.905 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.992 5.131 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 118 21.537 6.539 7.685 1.00 0.00 H new TER 1760 VAL A 118