USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -139:sc= -2.05 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.52! C(o=-17!,f=-21!) USER MOD Set 1.3: A 34 CYS SG : rot 166:sc= -2.85 USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -5.71! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 141:sc= -2.75! (180deg=-4.74!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.234 USER MOD Single : A 57 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.87) USER MOD Single : A 59 LYS NZ :NH3+ -105:sc= -0.0185 (180deg=-0.0612) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -31.978 0.283 -15.347 1.00 0.00 N ATOM 2 CA ALA A 2 -30.860 0.907 -14.593 1.00 0.00 C ATOM 3 C ALA A 2 -29.523 0.293 -14.988 1.00 0.00 C ATOM 4 O ALA A 2 -29.472 -0.661 -15.765 1.00 0.00 O ATOM 5 CB ALA A 2 -31.087 0.757 -13.096 1.00 0.00 C ATOM 0 HA ALA A 2 -30.832 1.968 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -30.261 1.218 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -32.021 1.246 -12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -31.142 -0.301 -12.841 1.00 0.00 H new ATOM 10 N SER A 3 -28.441 0.845 -14.450 1.00 0.00 N ATOM 11 CA SER A 3 -27.100 0.352 -14.746 1.00 0.00 C ATOM 12 C SER A 3 -26.424 -0.177 -13.485 1.00 0.00 C ATOM 13 O SER A 3 -26.436 0.476 -12.442 1.00 0.00 O ATOM 14 CB SER A 3 -26.251 1.463 -15.367 1.00 0.00 C ATOM 15 OG SER A 3 -26.942 2.100 -16.428 1.00 0.00 O ATOM 0 H SER A 3 -28.466 1.635 -13.806 1.00 0.00 H new ATOM 0 HA SER A 3 -27.190 -0.468 -15.459 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.993 2.197 -14.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.315 1.046 -15.737 1.00 0.00 H new ATOM 0 HG SER A 3 -26.379 2.807 -16.807 1.00 0.00 H new ATOM 21 N THR A 4 -25.834 -1.363 -13.589 1.00 0.00 N ATOM 22 CA THR A 4 -25.151 -1.980 -12.458 1.00 0.00 C ATOM 23 C THR A 4 -24.128 -3.006 -12.936 1.00 0.00 C ATOM 24 O THR A 4 -24.488 -4.107 -13.354 1.00 0.00 O ATOM 25 CB THR A 4 -26.164 -2.646 -11.522 1.00 0.00 C ATOM 26 OG1 THR A 4 -27.448 -2.691 -12.119 1.00 0.00 O ATOM 27 CG2 THR A 4 -26.304 -1.936 -10.191 1.00 0.00 C ATOM 0 H THR A 4 -25.815 -1.916 -14.446 1.00 0.00 H new ATOM 0 HA THR A 4 -24.625 -1.197 -11.911 1.00 0.00 H new ATOM 0 HB THR A 4 -25.776 -3.649 -11.345 1.00 0.00 H new ATOM 0 HG1 THR A 4 -28.079 -3.121 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 4 -27.036 -2.458 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 4 -25.341 -1.927 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 4 -26.635 -0.911 -10.358 1.00 0.00 H new ATOM 35 N SER A 5 -22.853 -2.638 -12.872 1.00 0.00 N ATOM 36 CA SER A 5 -21.780 -3.528 -13.299 1.00 0.00 C ATOM 37 C SER A 5 -20.414 -2.950 -12.939 1.00 0.00 C ATOM 38 O SER A 5 -19.456 -3.072 -13.703 1.00 0.00 O ATOM 39 CB SER A 5 -21.862 -3.773 -14.807 1.00 0.00 C ATOM 40 OG SER A 5 -21.510 -5.108 -15.128 1.00 0.00 O ATOM 0 H SER A 5 -22.538 -1.731 -12.529 1.00 0.00 H new ATOM 0 HA SER A 5 -21.901 -4.477 -12.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.873 -3.566 -15.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.197 -3.083 -15.327 1.00 0.00 H new ATOM 0 HG SER A 5 -21.572 -5.239 -16.097 1.00 0.00 H new ATOM 46 N ARG A 6 -20.331 -2.324 -11.770 1.00 0.00 N ATOM 47 CA ARG A 6 -19.080 -1.730 -11.309 1.00 0.00 C ATOM 48 C ARG A 6 -18.105 -2.812 -10.856 1.00 0.00 C ATOM 49 O ARG A 6 -18.306 -3.449 -9.822 1.00 0.00 O ATOM 50 CB ARG A 6 -19.347 -0.748 -10.165 1.00 0.00 C ATOM 51 CG ARG A 6 -18.667 0.598 -10.349 1.00 0.00 C ATOM 52 CD ARG A 6 -17.168 0.445 -10.552 1.00 0.00 C ATOM 53 NE ARG A 6 -16.775 0.693 -11.938 1.00 0.00 N ATOM 54 CZ ARG A 6 -16.876 1.878 -12.536 1.00 0.00 C ATOM 55 NH1 ARG A 6 -17.355 2.925 -11.876 1.00 0.00 N ATOM 56 NH2 ARG A 6 -16.495 2.016 -13.799 1.00 0.00 N ATOM 0 H ARG A 6 -21.113 -2.215 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.632 -1.187 -12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.422 -0.593 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.008 -1.192 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.100 1.111 -11.208 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.855 1.223 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.641 1.138 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.864 -0.561 -10.263 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.402 -0.087 -12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.649 2.825 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.430 3.830 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.125 1.215 -14.311 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.572 2.923 -14.259 1.00 0.00 H new ATOM 70 N LEU A 7 -17.050 -3.015 -11.637 1.00 0.00 N ATOM 71 CA LEU A 7 -16.045 -4.021 -11.316 1.00 0.00 C ATOM 72 C LEU A 7 -15.073 -3.510 -10.258 1.00 0.00 C ATOM 73 O LEU A 7 -14.286 -2.599 -10.512 1.00 0.00 O ATOM 74 CB LEU A 7 -15.277 -4.426 -12.576 1.00 0.00 C ATOM 75 CG LEU A 7 -16.026 -5.381 -13.512 1.00 0.00 C ATOM 76 CD1 LEU A 7 -16.337 -4.699 -14.836 1.00 0.00 C ATOM 77 CD2 LEU A 7 -15.217 -6.650 -13.740 1.00 0.00 C ATOM 0 H LEU A 7 -16.869 -2.497 -12.496 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.561 -4.893 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.019 -3.524 -13.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.340 -4.895 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.969 -5.656 -13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.869 -5.393 -15.487 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.958 -3.822 -14.656 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.407 -4.393 -15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.765 -7.316 -14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.258 -6.394 -14.190 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.048 -7.150 -12.786 1.00 0.00 H new ATOM 89 N ASP A 8 -15.132 -4.107 -9.074 1.00 0.00 N ATOM 90 CA ASP A 8 -14.255 -3.718 -7.975 1.00 0.00 C ATOM 91 C ASP A 8 -12.797 -4.019 -8.324 1.00 0.00 C ATOM 92 O ASP A 8 -12.433 -4.073 -9.499 1.00 0.00 O ATOM 93 CB ASP A 8 -14.663 -4.448 -6.692 1.00 0.00 C ATOM 94 CG ASP A 8 -16.162 -4.432 -6.465 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.832 -3.520 -6.993 1.00 0.00 O ATOM 96 OD2 ASP A 8 -16.665 -5.330 -5.758 1.00 0.00 O ATOM 0 H ASP A 8 -15.779 -4.863 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.353 -2.645 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.317 -5.481 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.165 -3.984 -5.840 1.00 0.00 H new ATOM 101 N ALA A 9 -11.963 -4.214 -7.301 1.00 0.00 N ATOM 102 CA ALA A 9 -10.548 -4.511 -7.506 1.00 0.00 C ATOM 103 C ALA A 9 -9.770 -3.255 -7.883 1.00 0.00 C ATOM 104 O ALA A 9 -10.342 -2.170 -7.980 1.00 0.00 O ATOM 105 CB ALA A 9 -10.370 -5.588 -8.570 1.00 0.00 C ATOM 0 H ALA A 9 -12.245 -4.171 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.148 -4.886 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.308 -5.793 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.878 -6.499 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.796 -5.243 -9.512 1.00 0.00 H new ATOM 111 N LEU A 10 -8.458 -3.428 -8.085 1.00 0.00 N ATOM 112 CA LEU A 10 -7.536 -2.341 -8.449 1.00 0.00 C ATOM 113 C LEU A 10 -6.433 -2.202 -7.401 1.00 0.00 C ATOM 114 O LEU A 10 -5.252 -2.141 -7.742 1.00 0.00 O ATOM 115 CB LEU A 10 -8.250 -0.994 -8.632 1.00 0.00 C ATOM 116 CG LEU A 10 -7.348 0.159 -9.079 1.00 0.00 C ATOM 117 CD1 LEU A 10 -8.135 1.163 -9.910 1.00 0.00 C ATOM 118 CD2 LEU A 10 -6.716 0.838 -7.872 1.00 0.00 C ATOM 0 H LEU A 10 -8.000 -4.336 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.099 -2.612 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.046 -1.118 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.725 -0.720 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.551 -0.247 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.477 1.975 -10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.538 0.668 -10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.954 1.566 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.078 1.655 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.499 1.231 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.118 0.114 -7.319 1.00 0.00 H new ATOM 130 N PRO A 11 -6.797 -2.158 -6.104 1.00 0.00 N ATOM 131 CA PRO A 11 -5.829 -2.034 -5.020 1.00 0.00 C ATOM 132 C PRO A 11 -5.306 -3.389 -4.546 1.00 0.00 C ATOM 133 O PRO A 11 -4.523 -3.464 -3.601 1.00 0.00 O ATOM 134 CB PRO A 11 -6.653 -1.369 -3.925 1.00 0.00 C ATOM 135 CG PRO A 11 -8.029 -1.913 -4.114 1.00 0.00 C ATOM 136 CD PRO A 11 -8.177 -2.229 -5.584 1.00 0.00 C ATOM 0 HA PRO A 11 -4.938 -1.481 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.264 -1.607 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.638 -0.283 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.177 -2.808 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.778 -1.187 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.612 -3.217 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.829 -1.512 -6.083 1.00 0.00 H new ATOM 144 N ARG A 12 -5.748 -4.459 -5.205 1.00 0.00 N ATOM 145 CA ARG A 12 -5.326 -5.808 -4.846 1.00 0.00 C ATOM 146 C ARG A 12 -5.676 -6.121 -3.394 1.00 0.00 C ATOM 147 O ARG A 12 -4.840 -6.609 -2.633 1.00 0.00 O ATOM 148 CB ARG A 12 -3.822 -5.972 -5.074 1.00 0.00 C ATOM 149 CG ARG A 12 -3.448 -7.277 -5.759 1.00 0.00 C ATOM 150 CD ARG A 12 -4.115 -7.406 -7.120 1.00 0.00 C ATOM 151 NE ARG A 12 -5.042 -8.538 -7.167 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.361 -8.423 -7.315 1.00 0.00 C ATOM 153 NH1 ARG A 12 -6.929 -7.228 -7.434 1.00 0.00 N ATOM 154 NH2 ARG A 12 -7.119 -9.510 -7.346 1.00 0.00 N ATOM 0 H ARG A 12 -6.398 -4.416 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.859 -6.512 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.462 -5.139 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.309 -5.916 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.366 -7.329 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.741 -8.117 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.653 -6.486 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.352 -7.529 -7.888 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.652 -9.477 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.354 -6.386 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.940 -7.153 -7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.692 -10.432 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.129 -9.424 -7.459 1.00 0.00 H new ATOM 168 N VAL A 13 -6.918 -5.836 -3.016 1.00 0.00 N ATOM 169 CA VAL A 13 -7.383 -6.086 -1.654 1.00 0.00 C ATOM 170 C VAL A 13 -7.160 -7.540 -1.250 1.00 0.00 C ATOM 171 O VAL A 13 -6.970 -7.843 -0.072 1.00 0.00 O ATOM 172 CB VAL A 13 -8.878 -5.746 -1.490 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.067 -4.255 -1.261 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.674 -6.214 -2.699 1.00 0.00 C ATOM 0 H VAL A 13 -7.622 -5.431 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.798 -5.436 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.254 -6.274 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.129 -4.036 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.536 -3.956 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.672 -3.703 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.726 -5.964 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.298 -5.721 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.569 -7.293 -2.808 1.00 0.00 H new ATOM 184 N THR A 14 -7.184 -8.436 -2.231 1.00 0.00 N ATOM 185 CA THR A 14 -6.984 -9.856 -1.967 1.00 0.00 C ATOM 186 C THR A 14 -6.320 -10.553 -3.151 1.00 0.00 C ATOM 187 O THR A 14 -6.333 -10.046 -4.273 1.00 0.00 O ATOM 188 CB THR A 14 -8.318 -10.534 -1.652 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.329 -10.089 -2.540 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.802 -10.282 -0.240 1.00 0.00 C ATOM 0 H THR A 14 -7.339 -8.205 -3.212 1.00 0.00 H new ATOM 0 HA THR A 14 -6.324 -9.941 -1.104 1.00 0.00 H new ATOM 0 HB THR A 14 -8.132 -11.602 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.174 -10.535 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.753 -10.792 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.067 -10.661 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.935 -9.211 -0.087 1.00 0.00 H new ATOM 198 N CYS A 15 -5.746 -11.720 -2.886 1.00 0.00 N ATOM 199 CA CYS A 15 -5.076 -12.502 -3.918 1.00 0.00 C ATOM 200 C CYS A 15 -6.097 -13.196 -4.819 1.00 0.00 C ATOM 201 O CYS A 15 -7.084 -13.750 -4.334 1.00 0.00 O ATOM 202 CB CYS A 15 -4.164 -13.542 -3.266 1.00 0.00 C ATOM 203 SG CYS A 15 -3.201 -14.533 -4.433 1.00 0.00 S ATOM 0 H CYS A 15 -5.731 -12.148 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.478 -11.829 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.478 -13.032 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.773 -14.210 -2.658 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.181 -15.771 -4.037 1.00 0.00 H new ATOM 209 N PRO A 16 -5.880 -13.175 -6.147 1.00 0.00 N ATOM 210 CA PRO A 16 -6.795 -13.805 -7.106 1.00 0.00 C ATOM 211 C PRO A 16 -6.908 -15.313 -6.902 1.00 0.00 C ATOM 212 O PRO A 16 -7.903 -15.926 -7.290 1.00 0.00 O ATOM 213 CB PRO A 16 -6.164 -13.496 -8.470 1.00 0.00 C ATOM 214 CG PRO A 16 -4.738 -13.182 -8.173 1.00 0.00 C ATOM 215 CD PRO A 16 -4.734 -12.537 -6.819 1.00 0.00 C ATOM 0 HA PRO A 16 -7.812 -13.427 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.248 -14.347 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.661 -12.655 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.130 -14.086 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.320 -12.513 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.800 -12.720 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.856 -11.456 -6.886 1.00 0.00 H new ATOM 223 N ASN A 17 -5.886 -15.909 -6.297 1.00 0.00 N ATOM 224 CA ASN A 17 -5.876 -17.347 -6.050 1.00 0.00 C ATOM 225 C ASN A 17 -5.839 -17.657 -4.553 1.00 0.00 C ATOM 226 O ASN A 17 -5.976 -18.812 -4.150 1.00 0.00 O ATOM 227 CB ASN A 17 -4.674 -17.993 -6.746 1.00 0.00 C ATOM 228 CG ASN A 17 -5.072 -18.779 -7.979 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.387 -18.206 -9.022 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.061 -20.103 -7.865 1.00 0.00 N ATOM 0 H ASN A 17 -5.054 -15.419 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.798 -17.762 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.961 -17.218 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.165 -18.655 -6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.320 -20.686 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.793 -20.537 -6.981 1.00 0.00 H new ATOM 237 N HIS A 18 -5.663 -16.625 -3.729 1.00 0.00 N ATOM 238 CA HIS A 18 -5.620 -16.806 -2.282 1.00 0.00 C ATOM 239 C HIS A 18 -6.540 -15.806 -1.583 1.00 0.00 C ATOM 240 O HIS A 18 -6.100 -14.737 -1.159 1.00 0.00 O ATOM 241 CB HIS A 18 -4.194 -16.651 -1.755 1.00 0.00 C ATOM 242 CG HIS A 18 -3.240 -17.709 -2.215 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.018 -17.417 -2.779 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.306 -19.060 -2.150 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.369 -18.536 -3.036 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.128 -19.551 -2.665 1.00 0.00 N ATOM 0 H HIS A 18 -5.549 -15.660 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.966 -17.816 -2.064 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.811 -15.677 -2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.221 -16.654 -0.665 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.668 -16.478 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.130 -19.643 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.385 -18.610 -3.475 1.00 0.00 H new ATOM 255 N PRO A 19 -7.833 -16.140 -1.445 1.00 0.00 N ATOM 256 CA PRO A 19 -8.802 -15.260 -0.789 1.00 0.00 C ATOM 257 C PRO A 19 -8.417 -14.968 0.657 1.00 0.00 C ATOM 258 O PRO A 19 -8.639 -13.866 1.158 1.00 0.00 O ATOM 259 CB PRO A 19 -10.118 -16.047 -0.849 1.00 0.00 C ATOM 260 CG PRO A 19 -9.720 -17.460 -1.113 1.00 0.00 C ATOM 261 CD PRO A 19 -8.446 -17.396 -1.904 1.00 0.00 C ATOM 0 HA PRO A 19 -8.862 -14.287 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.670 -15.962 0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.768 -15.667 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.572 -18.003 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.497 -17.986 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.804 -18.254 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.638 -17.383 -2.977 1.00 0.00 H new ATOM 269 N ASP A 20 -7.840 -15.962 1.321 1.00 0.00 N ATOM 270 CA ASP A 20 -7.423 -15.816 2.709 1.00 0.00 C ATOM 271 C ASP A 20 -6.106 -15.050 2.812 1.00 0.00 C ATOM 272 O ASP A 20 -5.861 -14.349 3.794 1.00 0.00 O ATOM 273 CB ASP A 20 -7.281 -17.189 3.367 1.00 0.00 C ATOM 274 CG ASP A 20 -8.613 -17.759 3.813 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.655 -17.308 3.293 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.614 -18.656 4.681 1.00 0.00 O ATOM 0 H ASP A 20 -7.650 -16.880 0.919 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.191 -15.246 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.811 -17.878 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.617 -17.109 4.228 1.00 0.00 H new ATOM 281 N ALA A 21 -5.260 -15.188 1.795 1.00 0.00 N ATOM 282 CA ALA A 21 -3.968 -14.509 1.780 1.00 0.00 C ATOM 283 C ALA A 21 -4.119 -13.042 1.390 1.00 0.00 C ATOM 284 O ALA A 21 -4.010 -12.681 0.217 1.00 0.00 O ATOM 285 CB ALA A 21 -3.013 -15.210 0.839 1.00 0.00 C ATOM 0 H ALA A 21 -5.445 -15.762 0.973 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.557 -14.548 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.055 -14.691 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.868 -16.239 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.427 -15.206 -0.169 1.00 0.00 H new ATOM 291 N ILE A 22 -4.405 -12.226 2.394 1.00 0.00 N ATOM 292 CA ILE A 22 -4.614 -10.795 2.200 1.00 0.00 C ATOM 293 C ILE A 22 -3.320 -10.048 1.872 1.00 0.00 C ATOM 294 O ILE A 22 -2.764 -9.351 2.721 1.00 0.00 O ATOM 295 CB ILE A 22 -5.274 -10.144 3.431 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.370 -11.052 3.996 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.844 -8.785 3.060 1.00 0.00 C ATOM 298 CD1 ILE A 22 -5.937 -11.835 5.216 1.00 0.00 C ATOM 0 H ILE A 22 -4.499 -12.533 3.362 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.283 -10.712 1.344 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.516 -10.005 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.237 -10.444 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.688 -11.749 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.308 -8.333 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.042 -8.140 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.591 -8.906 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.763 -12.456 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.089 -12.470 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.646 -11.144 6.007 1.00 0.00 H new ATOM 310 N LEU A 23 -2.865 -10.205 0.620 1.00 0.00 N ATOM 311 CA LEU A 23 -1.642 -9.550 0.129 1.00 0.00 C ATOM 312 C LEU A 23 -1.250 -8.386 1.025 1.00 0.00 C ATOM 313 O LEU A 23 -1.904 -7.350 1.043 1.00 0.00 O ATOM 314 CB LEU A 23 -1.830 -9.043 -1.303 1.00 0.00 C ATOM 315 CG LEU A 23 -1.399 -10.011 -2.402 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.614 -10.727 -2.969 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.629 -9.276 -3.492 1.00 0.00 C ATOM 0 H LEU A 23 -3.331 -10.786 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.846 -10.295 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.882 -8.799 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.269 -8.116 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.731 -10.759 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.298 -11.416 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.111 -11.284 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.306 -9.995 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.330 -9.983 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.264 -8.505 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.259 -8.813 -3.061 1.00 0.00 H new ATOM 329 N VAL A 24 -0.197 -8.574 1.785 1.00 0.00 N ATOM 330 CA VAL A 24 0.262 -7.552 2.700 1.00 0.00 C ATOM 331 C VAL A 24 0.984 -6.435 1.961 1.00 0.00 C ATOM 332 O VAL A 24 1.286 -6.555 0.776 1.00 0.00 O ATOM 333 CB VAL A 24 1.150 -8.173 3.784 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.291 -7.238 4.975 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.555 -9.514 4.200 1.00 0.00 C ATOM 0 H VAL A 24 0.361 -9.428 1.789 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.607 -7.107 3.185 1.00 0.00 H new ATOM 0 HB VAL A 24 2.152 -8.334 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.926 -7.703 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.741 -6.300 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.307 -7.040 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.179 -9.965 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.451 -9.360 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.511 -10.176 3.335 1.00 0.00 H new ATOM 345 N GLU A 25 1.218 -5.337 2.661 1.00 0.00 N ATOM 346 CA GLU A 25 1.849 -4.187 2.084 1.00 0.00 C ATOM 347 C GLU A 25 3.347 -4.343 2.058 1.00 0.00 C ATOM 348 O GLU A 25 3.972 -4.816 3.007 1.00 0.00 O ATOM 349 CB GLU A 25 1.455 -2.920 2.844 1.00 0.00 C ATOM 350 CG GLU A 25 0.323 -2.150 2.181 1.00 0.00 C ATOM 351 CD GLU A 25 0.734 -1.536 0.856 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.740 -1.995 0.276 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.049 -0.597 0.399 1.00 0.00 O ATOM 0 H GLU A 25 0.971 -5.229 3.645 1.00 0.00 H new ATOM 0 HA GLU A 25 1.503 -4.097 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.157 -3.190 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.326 -2.270 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.522 -2.820 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.018 -1.362 2.852 1.00 0.00 H new ATOM 360 N ASP A 26 3.900 -3.909 0.959 1.00 0.00 N ATOM 361 CA ASP A 26 5.316 -3.932 0.725 1.00 0.00 C ATOM 362 C ASP A 26 5.970 -5.302 0.907 1.00 0.00 C ATOM 363 O ASP A 26 6.354 -5.677 2.015 1.00 0.00 O ATOM 364 CB ASP A 26 6.021 -2.890 1.590 1.00 0.00 C ATOM 365 CG ASP A 26 6.122 -1.542 0.904 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.065 -0.928 0.643 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.256 -1.099 0.626 1.00 0.00 O ATOM 0 H ASP A 26 3.364 -3.520 0.183 1.00 0.00 H new ATOM 0 HA ASP A 26 5.437 -3.686 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.481 -2.777 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.022 -3.244 1.838 1.00 0.00 H new ATOM 372 N TYR A 27 6.128 -6.027 -0.203 1.00 0.00 N ATOM 373 CA TYR A 27 6.778 -7.333 -0.181 1.00 0.00 C ATOM 374 C TYR A 27 8.256 -7.152 0.128 1.00 0.00 C ATOM 375 O TYR A 27 9.007 -6.621 -0.691 1.00 0.00 O ATOM 376 CB TYR A 27 6.595 -8.052 -1.531 1.00 0.00 C ATOM 377 CG TYR A 27 7.866 -8.240 -2.337 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.649 -9.378 -2.179 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.281 -7.283 -3.253 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.809 -9.554 -2.910 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.439 -7.451 -3.987 1.00 0.00 C ATOM 382 CZ TYR A 27 10.199 -8.588 -3.813 1.00 0.00 C ATOM 383 OH TYR A 27 11.353 -8.759 -4.543 1.00 0.00 O ATOM 0 H TYR A 27 5.814 -5.729 -1.126 1.00 0.00 H new ATOM 0 HA TYR A 27 6.320 -7.949 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.152 -9.031 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.882 -7.487 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.346 -10.137 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.688 -6.391 -3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.406 -10.443 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.748 -6.695 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 27 11.484 -7.988 -5.134 1.00 0.00 H new ATOM 393 N ARG A 28 8.677 -7.575 1.316 1.00 0.00 N ATOM 394 CA ARG A 28 10.074 -7.434 1.713 1.00 0.00 C ATOM 395 C ARG A 28 10.584 -6.040 1.353 1.00 0.00 C ATOM 396 O ARG A 28 11.746 -5.866 0.983 1.00 0.00 O ATOM 397 CB ARG A 28 10.923 -8.503 1.022 1.00 0.00 C ATOM 398 CG ARG A 28 11.148 -9.743 1.873 1.00 0.00 C ATOM 399 CD ARG A 28 12.537 -10.322 1.657 1.00 0.00 C ATOM 400 NE ARG A 28 12.661 -11.669 2.212 1.00 0.00 N ATOM 401 CZ ARG A 28 12.157 -12.757 1.635 1.00 0.00 C ATOM 402 NH1 ARG A 28 11.500 -12.665 0.486 1.00 0.00 N ATOM 403 NH2 ARG A 28 12.311 -13.943 2.208 1.00 0.00 N ATOM 0 H ARG A 28 8.078 -8.014 2.015 1.00 0.00 H new ATOM 0 HA ARG A 28 10.151 -7.566 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.438 -8.795 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.889 -8.073 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.017 -9.492 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.397 -10.495 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.757 -10.348 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.278 -9.670 2.119 1.00 0.00 H new ATOM 0 HE ARG A 28 13.163 -11.781 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.379 -11.756 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.116 -13.503 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.816 -14.021 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.925 -14.777 1.766 1.00 0.00 H new ATOM 417 N ALA A 29 9.683 -5.058 1.444 1.00 0.00 N ATOM 418 CA ALA A 29 9.986 -3.664 1.115 1.00 0.00 C ATOM 419 C ALA A 29 9.662 -3.378 -0.348 1.00 0.00 C ATOM 420 O ALA A 29 10.404 -2.674 -1.034 1.00 0.00 O ATOM 421 CB ALA A 29 11.439 -3.320 1.420 1.00 0.00 C ATOM 0 H ALA A 29 8.721 -5.208 1.749 1.00 0.00 H new ATOM 0 HA ALA A 29 9.359 -3.031 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.628 -2.278 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.634 -3.473 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.096 -3.963 0.834 1.00 0.00 H new ATOM 427 N GLY A 30 8.546 -3.933 -0.819 1.00 0.00 N ATOM 428 CA GLY A 30 8.135 -3.732 -2.199 1.00 0.00 C ATOM 429 C GLY A 30 6.661 -3.387 -2.331 1.00 0.00 C ATOM 430 O GLY A 30 6.187 -2.422 -1.731 1.00 0.00 O ATOM 0 H GLY A 30 7.919 -4.519 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.731 -2.932 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.344 -4.636 -2.771 1.00 0.00 H new ATOM 434 N ASP A 31 5.941 -4.170 -3.132 1.00 0.00 N ATOM 435 CA ASP A 31 4.510 -3.944 -3.356 1.00 0.00 C ATOM 436 C ASP A 31 3.665 -4.818 -2.428 1.00 0.00 C ATOM 437 O ASP A 31 4.049 -5.076 -1.292 1.00 0.00 O ATOM 438 CB ASP A 31 4.150 -4.190 -4.827 1.00 0.00 C ATOM 439 CG ASP A 31 5.276 -3.829 -5.782 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.157 -3.036 -5.389 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.272 -4.337 -6.923 1.00 0.00 O ATOM 0 H ASP A 31 6.324 -4.968 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 31 4.288 -2.903 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.890 -5.240 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.265 -3.607 -5.081 1.00 0.00 H new ATOM 446 N MET A 32 2.510 -5.266 -2.906 1.00 0.00 N ATOM 447 CA MET A 32 1.619 -6.093 -2.106 1.00 0.00 C ATOM 448 C MET A 32 1.999 -7.567 -2.201 1.00 0.00 C ATOM 449 O MET A 32 1.984 -8.162 -3.272 1.00 0.00 O ATOM 450 CB MET A 32 0.198 -5.879 -2.580 1.00 0.00 C ATOM 451 CG MET A 32 -0.364 -4.519 -2.197 1.00 0.00 C ATOM 452 SD MET A 32 -2.165 -4.468 -2.252 1.00 0.00 S ATOM 453 CE MET A 32 -2.580 -5.527 -0.869 1.00 0.00 C ATOM 0 H MET A 32 2.169 -5.069 -3.847 1.00 0.00 H new ATOM 0 HA MET A 32 1.707 -5.802 -1.059 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.164 -5.987 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.439 -6.659 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.028 -4.262 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.037 -3.762 -2.871 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.439 -5.114 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.825 -6.524 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.730 -5.588 -0.190 1.00 0.00 H new ATOM 463 N ILE A 33 2.396 -8.124 -1.075 1.00 0.00 N ATOM 464 CA ILE A 33 2.857 -9.497 -1.006 1.00 0.00 C ATOM 465 C ILE A 33 1.804 -10.451 -0.475 1.00 0.00 C ATOM 466 O ILE A 33 1.313 -10.295 0.637 1.00 0.00 O ATOM 467 CB ILE A 33 4.100 -9.537 -0.096 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.913 -10.812 -0.294 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.692 -9.385 1.357 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.171 -12.058 0.114 1.00 0.00 C ATOM 0 H ILE A 33 2.408 -7.636 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 33 3.090 -9.828 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 33 4.740 -8.700 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.199 -10.894 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.835 -10.741 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.579 -9.415 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.181 -8.432 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.022 -10.199 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.804 -12.929 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.909 -11.996 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.262 -12.152 -0.481 1.00 0.00 H new ATOM 482 N CYS A 34 1.495 -11.468 -1.265 1.00 0.00 N ATOM 483 CA CYS A 34 0.544 -12.474 -0.846 1.00 0.00 C ATOM 484 C CYS A 34 1.289 -13.554 -0.081 1.00 0.00 C ATOM 485 O CYS A 34 1.840 -14.458 -0.691 1.00 0.00 O ATOM 486 CB CYS A 34 -0.147 -13.097 -2.053 1.00 0.00 C ATOM 487 SG CYS A 34 -1.354 -14.367 -1.638 1.00 0.00 S ATOM 0 H CYS A 34 1.889 -11.614 -2.194 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.214 -12.011 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.645 -12.310 -2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.610 -13.530 -2.707 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.091 -14.622 -2.678 1.00 0.00 H new ATOM 493 N PRO A 35 1.314 -13.485 1.261 1.00 0.00 N ATOM 494 CA PRO A 35 2.016 -14.457 2.107 1.00 0.00 C ATOM 495 C PRO A 35 1.848 -15.906 1.661 1.00 0.00 C ATOM 496 O PRO A 35 2.583 -16.784 2.111 1.00 0.00 O ATOM 497 CB PRO A 35 1.389 -14.251 3.497 1.00 0.00 C ATOM 498 CG PRO A 35 0.292 -13.254 3.304 1.00 0.00 C ATOM 499 CD PRO A 35 0.657 -12.468 2.081 1.00 0.00 C ATOM 0 HA PRO A 35 3.093 -14.291 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.000 -15.189 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.129 -13.886 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.669 -13.752 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.200 -12.603 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.219 -12.048 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.322 -11.636 2.312 1.00 0.00 H new ATOM 507 N GLU A 36 0.883 -16.162 0.797 1.00 0.00 N ATOM 508 CA GLU A 36 0.629 -17.511 0.329 1.00 0.00 C ATOM 509 C GLU A 36 1.492 -17.842 -0.878 1.00 0.00 C ATOM 510 O GLU A 36 2.402 -18.659 -0.790 1.00 0.00 O ATOM 511 CB GLU A 36 -0.853 -17.670 -0.001 1.00 0.00 C ATOM 512 CG GLU A 36 -1.658 -18.321 1.111 1.00 0.00 C ATOM 513 CD GLU A 36 -1.078 -19.651 1.552 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.454 -20.687 0.963 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.248 -19.657 2.484 1.00 0.00 O ATOM 0 H GLU A 36 0.263 -15.453 0.405 1.00 0.00 H new ATOM 0 HA GLU A 36 0.892 -18.212 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.276 -16.689 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.953 -18.267 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.700 -17.646 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.683 -18.471 0.772 1.00 0.00 H new ATOM 522 N CYS A 37 1.262 -17.157 -1.986 1.00 0.00 N ATOM 523 CA CYS A 37 2.082 -17.366 -3.174 1.00 0.00 C ATOM 524 C CYS A 37 3.234 -16.389 -3.120 1.00 0.00 C ATOM 525 O CYS A 37 4.263 -16.568 -3.761 1.00 0.00 O ATOM 526 CB CYS A 37 1.286 -17.149 -4.465 1.00 0.00 C ATOM 527 SG CYS A 37 0.276 -15.651 -4.474 1.00 0.00 S ATOM 0 H CYS A 37 0.525 -16.460 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 37 2.436 -18.397 -3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.981 -17.110 -5.304 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.638 -18.011 -4.628 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.122 -15.389 -3.265 1.00 0.00 H new ATOM 533 N GLY A 38 3.015 -15.349 -2.330 1.00 0.00 N ATOM 534 CA GLY A 38 3.978 -14.307 -2.139 1.00 0.00 C ATOM 535 C GLY A 38 4.144 -13.459 -3.373 1.00 0.00 C ATOM 536 O GLY A 38 5.247 -13.028 -3.712 1.00 0.00 O ATOM 0 H GLY A 38 2.151 -15.215 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.670 -13.677 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.938 -14.746 -1.869 1.00 0.00 H new ATOM 540 N LEU A 39 3.024 -13.213 -4.033 1.00 0.00 N ATOM 541 CA LEU A 39 2.985 -12.406 -5.234 1.00 0.00 C ATOM 542 C LEU A 39 3.096 -10.929 -4.870 1.00 0.00 C ATOM 543 O LEU A 39 2.689 -10.529 -3.777 1.00 0.00 O ATOM 544 CB LEU A 39 1.673 -12.666 -5.960 1.00 0.00 C ATOM 545 CG LEU A 39 0.483 -11.934 -5.352 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.231 -10.674 -6.127 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.757 -12.800 -5.321 1.00 0.00 C ATOM 0 H LEU A 39 2.113 -13.571 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 39 3.821 -12.669 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.779 -12.366 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.471 -13.737 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 39 0.722 -11.688 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.620 -10.146 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.114 -10.037 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.015 -10.923 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.581 -12.239 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.021 -13.094 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.564 -13.691 -4.724 1.00 0.00 H new ATOM 559 N VAL A 40 3.691 -10.139 -5.759 1.00 0.00 N ATOM 560 CA VAL A 40 3.906 -8.726 -5.504 1.00 0.00 C ATOM 561 C VAL A 40 3.165 -7.846 -6.496 1.00 0.00 C ATOM 562 O VAL A 40 3.403 -7.908 -7.702 1.00 0.00 O ATOM 563 CB VAL A 40 5.408 -8.394 -5.564 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.659 -6.948 -5.168 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.196 -9.343 -4.673 1.00 0.00 C ATOM 0 H VAL A 40 4.033 -10.459 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 40 3.516 -8.521 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 40 5.748 -8.524 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.727 -6.737 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.126 -6.286 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.304 -6.782 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.256 -9.096 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.852 -9.246 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.045 -10.368 -5.011 1.00 0.00 H new ATOM 575 N VAL A 41 2.268 -7.016 -5.974 1.00 0.00 N ATOM 576 CA VAL A 41 1.495 -6.111 -6.816 1.00 0.00 C ATOM 577 C VAL A 41 1.487 -4.696 -6.250 1.00 0.00 C ATOM 578 O VAL A 41 1.299 -4.501 -5.049 1.00 0.00 O ATOM 579 CB VAL A 41 0.037 -6.567 -6.976 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.491 -6.215 -8.357 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.059 -8.046 -6.723 1.00 0.00 C ATOM 0 H VAL A 41 2.059 -6.951 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 41 1.984 -6.123 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.581 -6.044 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.525 -6.548 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.443 -5.136 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.116 -6.709 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.094 -8.368 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.568 -8.579 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.280 -8.265 -5.710 1.00 0.00 H new ATOM 591 N GLY A 42 1.677 -3.710 -7.117 1.00 0.00 N ATOM 592 CA GLY A 42 1.674 -2.331 -6.674 1.00 0.00 C ATOM 593 C GLY A 42 2.889 -1.563 -7.144 1.00 0.00 C ATOM 594 O GLY A 42 3.894 -2.155 -7.538 1.00 0.00 O ATOM 0 H GLY A 42 1.833 -3.841 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.774 -1.838 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.631 -2.304 -5.585 1.00 0.00 H new ATOM 598 N ASP A 43 2.796 -0.242 -7.097 1.00 0.00 N ATOM 599 CA ASP A 43 3.893 0.617 -7.515 1.00 0.00 C ATOM 600 C ASP A 43 3.751 2.008 -6.898 1.00 0.00 C ATOM 601 O ASP A 43 4.311 2.280 -5.838 1.00 0.00 O ATOM 602 CB ASP A 43 3.944 0.711 -9.044 1.00 0.00 C ATOM 603 CG ASP A 43 5.040 -0.148 -9.643 1.00 0.00 C ATOM 604 OD1 ASP A 43 5.604 -0.988 -8.910 1.00 0.00 O ATOM 605 OD2 ASP A 43 5.335 0.020 -10.845 1.00 0.00 O ATOM 0 H ASP A 43 1.969 0.259 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 43 4.827 0.180 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.982 0.406 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.101 1.749 -9.336 1.00 0.00 H new ATOM 610 N ARG A 44 2.991 2.879 -7.564 1.00 0.00 N ATOM 611 CA ARG A 44 2.763 4.242 -7.084 1.00 0.00 C ATOM 612 C ARG A 44 4.062 4.892 -6.595 1.00 0.00 C ATOM 613 O ARG A 44 4.767 5.541 -7.367 1.00 0.00 O ATOM 614 CB ARG A 44 1.713 4.242 -5.968 1.00 0.00 C ATOM 615 CG ARG A 44 0.286 4.349 -6.478 1.00 0.00 C ATOM 616 CD ARG A 44 -0.691 4.632 -5.348 1.00 0.00 C ATOM 617 NE ARG A 44 -0.350 5.854 -4.623 1.00 0.00 N ATOM 618 CZ ARG A 44 -0.822 6.155 -3.415 1.00 0.00 C ATOM 619 NH1 ARG A 44 -1.656 5.329 -2.795 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.460 7.287 -2.826 1.00 0.00 N ATOM 0 H ARG A 44 2.521 2.662 -8.443 1.00 0.00 H new ATOM 0 HA ARG A 44 2.393 4.833 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.814 3.327 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.912 5.074 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.223 5.143 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.007 3.421 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.699 4.720 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.699 3.790 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 44 0.287 6.515 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.939 4.458 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.014 5.565 -1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.179 7.926 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.821 7.519 -1.901 1.00 0.00 H new ATOM 634 N VAL A 45 4.373 4.713 -5.311 1.00 0.00 N ATOM 635 CA VAL A 45 5.584 5.283 -4.733 1.00 0.00 C ATOM 636 C VAL A 45 5.532 6.807 -4.735 1.00 0.00 C ATOM 637 O VAL A 45 6.138 7.459 -5.584 1.00 0.00 O ATOM 638 CB VAL A 45 6.843 4.821 -5.493 1.00 0.00 C ATOM 639 CG1 VAL A 45 8.101 5.282 -4.773 1.00 0.00 C ATOM 640 CG2 VAL A 45 6.841 3.309 -5.661 1.00 0.00 C ATOM 0 H VAL A 45 3.803 4.179 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 45 5.639 4.927 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 45 6.833 5.274 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.979 4.946 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.106 6.370 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.120 4.860 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.737 3.002 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.826 2.834 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.958 3.007 -6.224 1.00 0.00 H new ATOM 650 N ILE A 46 4.803 7.369 -3.776 1.00 0.00 N ATOM 651 CA ILE A 46 4.674 8.816 -3.665 1.00 0.00 C ATOM 652 C ILE A 46 5.958 9.441 -3.128 1.00 0.00 C ATOM 653 O ILE A 46 6.288 10.582 -3.450 1.00 0.00 O ATOM 654 CB ILE A 46 3.496 9.208 -2.749 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.317 10.728 -2.727 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.714 8.673 -1.342 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.145 11.187 -1.886 1.00 0.00 C ATOM 0 H ILE A 46 4.293 6.844 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 46 4.482 9.196 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 46 2.585 8.761 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.229 11.188 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.183 11.085 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.873 8.959 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.791 7.586 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.634 9.090 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.079 12.275 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.224 10.756 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.287 10.861 -0.856 1.00 0.00 H new ATOM 669 N ASP A 47 6.680 8.683 -2.308 1.00 0.00 N ATOM 670 CA ASP A 47 7.928 9.158 -1.727 1.00 0.00 C ATOM 671 C ASP A 47 7.694 10.405 -0.880 1.00 0.00 C ATOM 672 O ASP A 47 7.724 11.527 -1.385 1.00 0.00 O ATOM 673 CB ASP A 47 8.947 9.460 -2.829 1.00 0.00 C ATOM 674 CG ASP A 47 10.375 9.256 -2.367 1.00 0.00 C ATOM 675 OD1 ASP A 47 10.913 10.156 -1.686 1.00 0.00 O ATOM 676 OD2 ASP A 47 10.958 8.199 -2.684 1.00 0.00 O ATOM 0 H ASP A 47 6.420 7.736 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 47 8.322 8.372 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.751 8.818 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.820 10.489 -3.165 1.00 0.00 H new ATOM 681 N VAL A 48 7.462 10.200 0.413 1.00 0.00 N ATOM 682 CA VAL A 48 7.224 11.307 1.334 1.00 0.00 C ATOM 683 C VAL A 48 8.296 11.356 2.419 1.00 0.00 C ATOM 684 O VAL A 48 9.189 12.201 2.384 1.00 0.00 O ATOM 685 CB VAL A 48 5.830 11.215 2.000 1.00 0.00 C ATOM 686 CG1 VAL A 48 4.875 12.224 1.380 1.00 0.00 C ATOM 687 CG2 VAL A 48 5.262 9.805 1.897 1.00 0.00 C ATOM 0 H VAL A 48 7.434 9.277 0.847 1.00 0.00 H new ATOM 0 HA VAL A 48 7.265 12.220 0.741 1.00 0.00 H new ATOM 0 HB VAL A 48 5.947 11.452 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.900 12.145 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.268 13.231 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.772 12.020 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.282 9.772 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.164 9.528 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.932 9.105 2.396 1.00 0.00 H new ATOM 697 N GLY A 49 8.202 10.443 3.382 1.00 0.00 N ATOM 698 CA GLY A 49 9.172 10.402 4.460 1.00 0.00 C ATOM 699 C GLY A 49 8.521 10.261 5.822 1.00 0.00 C ATOM 700 O GLY A 49 8.101 9.169 6.206 1.00 0.00 O ATOM 0 H GLY A 49 7.472 9.732 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.854 9.567 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.771 11.312 4.440 1.00 0.00 H new ATOM 704 N SER A 50 8.440 11.367 6.554 1.00 0.00 N ATOM 705 CA SER A 50 7.838 11.363 7.883 1.00 0.00 C ATOM 706 C SER A 50 6.385 10.904 7.822 1.00 0.00 C ATOM 707 O SER A 50 5.634 11.301 6.930 1.00 0.00 O ATOM 708 CB SER A 50 7.919 12.757 8.505 1.00 0.00 C ATOM 709 OG SER A 50 7.096 13.677 7.808 1.00 0.00 O ATOM 0 H SER A 50 8.784 12.278 6.250 1.00 0.00 H new ATOM 0 HA SER A 50 8.395 10.662 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.613 12.710 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.952 13.105 8.491 1.00 0.00 H new ATOM 0 HG SER A 50 7.165 14.560 8.227 1.00 0.00 H new ATOM 715 N GLU A 51 5.994 10.068 8.778 1.00 0.00 N ATOM 716 CA GLU A 51 4.629 9.557 8.837 1.00 0.00 C ATOM 717 C GLU A 51 3.959 9.938 10.154 1.00 0.00 C ATOM 718 O GLU A 51 3.041 9.258 10.613 1.00 0.00 O ATOM 719 CB GLU A 51 4.627 8.035 8.670 1.00 0.00 C ATOM 720 CG GLU A 51 3.468 7.517 7.834 1.00 0.00 C ATOM 721 CD GLU A 51 2.401 6.838 8.671 1.00 0.00 C ATOM 722 OE1 GLU A 51 2.748 6.269 9.727 1.00 0.00 O ATOM 723 OE2 GLU A 51 1.219 6.874 8.270 1.00 0.00 O ATOM 0 H GLU A 51 6.603 9.730 9.523 1.00 0.00 H new ATOM 0 HA GLU A 51 4.063 10.007 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.564 7.727 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.590 7.570 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.021 8.347 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.846 6.812 7.093 1.00 0.00 H new ATOM 730 N TRP A 52 4.423 11.030 10.755 1.00 0.00 N ATOM 731 CA TRP A 52 3.869 11.503 12.019 1.00 0.00 C ATOM 732 C TRP A 52 4.020 10.447 13.113 1.00 0.00 C ATOM 733 O TRP A 52 4.980 10.474 13.883 1.00 0.00 O ATOM 734 CB TRP A 52 2.396 11.883 11.846 1.00 0.00 C ATOM 735 CG TRP A 52 2.187 13.326 11.490 1.00 0.00 C ATOM 736 CD1 TRP A 52 3.153 14.255 11.224 1.00 0.00 C ATOM 737 CD2 TRP A 52 0.932 14.002 11.361 1.00 0.00 C ATOM 738 NE1 TRP A 52 2.573 15.469 10.938 1.00 0.00 N ATOM 739 CE2 TRP A 52 1.211 15.339 11.017 1.00 0.00 C ATOM 740 CE3 TRP A 52 -0.402 13.609 11.504 1.00 0.00 C ATOM 741 CZ2 TRP A 52 0.206 16.281 10.812 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -1.399 14.546 11.301 1.00 0.00 C ATOM 743 CH2 TRP A 52 -1.090 15.868 10.958 1.00 0.00 C ATOM 0 H TRP A 52 5.182 11.604 10.387 1.00 0.00 H new ATOM 0 HA TRP A 52 4.427 12.388 12.323 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.957 11.258 11.068 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.862 11.664 12.770 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.216 14.064 11.236 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.075 16.326 10.705 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.650 12.592 11.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.441 17.301 10.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.433 14.253 11.409 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.891 16.576 10.806 1.00 0.00 H new ATOM 754 N ARG A 53 3.069 9.516 13.179 1.00 0.00 N ATOM 755 CA ARG A 53 3.103 8.453 14.180 1.00 0.00 C ATOM 756 C ARG A 53 3.362 9.017 15.575 1.00 0.00 C ATOM 757 O ARG A 53 4.487 8.970 16.074 1.00 0.00 O ATOM 758 CB ARG A 53 4.178 7.425 13.825 1.00 0.00 C ATOM 759 CG ARG A 53 3.889 6.032 14.363 1.00 0.00 C ATOM 760 CD ARG A 53 4.635 5.771 15.662 1.00 0.00 C ATOM 761 NE ARG A 53 4.675 4.349 15.993 1.00 0.00 N ATOM 762 CZ ARG A 53 4.998 3.876 17.195 1.00 0.00 C ATOM 763 NH1 ARG A 53 5.309 4.708 18.181 1.00 0.00 N ATOM 764 NH2 ARG A 53 5.010 2.568 17.411 1.00 0.00 N ATOM 0 H ARG A 53 2.266 9.477 12.551 1.00 0.00 H new ATOM 0 HA ARG A 53 2.128 7.965 14.184 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.276 7.374 12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.137 7.765 14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.818 5.920 14.529 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.177 5.287 13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.653 6.153 15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.154 6.319 16.473 1.00 0.00 H new ATOM 0 HE ARG A 53 4.442 3.679 15.260 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.301 5.715 18.020 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.556 4.340 19.100 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.772 1.924 16.656 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.257 2.205 18.332 1.00 0.00 H new ATOM 778 N THR A 54 2.317 9.551 16.198 1.00 0.00 N ATOM 779 CA THR A 54 2.434 10.124 17.534 1.00 0.00 C ATOM 780 C THR A 54 1.072 10.200 18.216 1.00 0.00 C ATOM 781 O THR A 54 0.078 9.693 17.696 1.00 0.00 O ATOM 782 CB THR A 54 3.063 11.518 17.458 1.00 0.00 C ATOM 783 OG1 THR A 54 2.912 12.067 16.161 1.00 0.00 O ATOM 784 CG2 THR A 54 4.538 11.527 17.791 1.00 0.00 C ATOM 0 H THR A 54 1.379 9.599 15.799 1.00 0.00 H new ATOM 0 HA THR A 54 3.078 9.475 18.127 1.00 0.00 H new ATOM 0 HB THR A 54 2.535 12.114 18.202 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.319 12.958 16.134 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.921 12.545 17.718 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.684 11.156 18.805 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.073 10.887 17.090 1.00 0.00 H new ATOM 792 N PHE A 55 1.033 10.838 19.381 1.00 0.00 N ATOM 793 CA PHE A 55 -0.208 10.982 20.134 1.00 0.00 C ATOM 794 C PHE A 55 -0.687 12.431 20.122 1.00 0.00 C ATOM 795 O PHE A 55 -0.745 13.088 21.162 1.00 0.00 O ATOM 796 CB PHE A 55 -0.019 10.499 21.576 1.00 0.00 C ATOM 797 CG PHE A 55 1.063 11.227 22.325 1.00 0.00 C ATOM 798 CD1 PHE A 55 2.398 10.925 22.111 1.00 0.00 C ATOM 799 CD2 PHE A 55 0.742 12.211 23.248 1.00 0.00 C ATOM 800 CE1 PHE A 55 3.393 11.592 22.801 1.00 0.00 C ATOM 801 CE2 PHE A 55 1.733 12.879 23.941 1.00 0.00 C ATOM 802 CZ PHE A 55 3.060 12.569 23.718 1.00 0.00 C ATOM 0 H PHE A 55 1.847 11.264 19.825 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.968 10.365 19.654 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.960 10.614 22.114 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.214 9.434 21.565 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.664 10.160 21.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.294 12.458 23.427 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.430 11.349 22.623 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.470 13.644 24.657 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.836 13.090 24.260 1.00 0.00 H new ATOM 812 N SER A 56 -1.028 12.924 18.936 1.00 0.00 N ATOM 813 CA SER A 56 -1.503 14.297 18.785 1.00 0.00 C ATOM 814 C SER A 56 -0.412 15.293 19.166 1.00 0.00 C ATOM 815 O SER A 56 0.646 14.910 19.667 1.00 0.00 O ATOM 816 CB SER A 56 -2.745 14.529 19.646 1.00 0.00 C ATOM 817 OG SER A 56 -3.398 13.306 19.940 1.00 0.00 O ATOM 0 H SER A 56 -0.985 12.395 18.065 1.00 0.00 H new ATOM 0 HA SER A 56 -1.764 14.452 17.738 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.460 15.025 20.574 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.432 15.196 19.126 1.00 0.00 H new ATOM 0 HG SER A 56 -4.188 13.482 20.493 1.00 0.00 H new ATOM 823 N ASN A 57 -0.676 16.573 18.923 1.00 0.00 N ATOM 824 CA ASN A 57 0.283 17.625 19.240 1.00 0.00 C ATOM 825 C ASN A 57 -0.281 18.579 20.289 1.00 0.00 C ATOM 826 O ASN A 57 -1.433 18.450 20.703 1.00 0.00 O ATOM 827 CB ASN A 57 0.656 18.400 17.976 1.00 0.00 C ATOM 828 CG ASN A 57 2.122 18.787 17.946 1.00 0.00 C ATOM 829 OD1 ASN A 57 2.986 18.022 18.374 1.00 0.00 O ATOM 830 ND2 ASN A 57 2.409 19.980 17.438 1.00 0.00 N ATOM 0 H ASN A 57 -1.546 16.907 18.508 1.00 0.00 H new ATOM 0 HA ASN A 57 1.178 17.156 19.648 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.425 17.794 17.100 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.044 19.300 17.911 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.378 20.295 17.391 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.660 20.582 17.095 1.00 0.00 H new ATOM 837 N ASP A 58 0.538 19.535 20.711 1.00 0.00 N ATOM 838 CA ASP A 58 0.121 20.512 21.712 1.00 0.00 C ATOM 839 C ASP A 58 -0.839 21.531 21.108 1.00 0.00 C ATOM 840 O ASP A 58 -1.973 21.678 21.565 1.00 0.00 O ATOM 841 CB ASP A 58 1.340 21.227 22.296 1.00 0.00 C ATOM 842 CG ASP A 58 1.011 21.990 23.564 1.00 0.00 C ATOM 843 OD1 ASP A 58 0.556 23.149 23.458 1.00 0.00 O ATOM 844 OD2 ASP A 58 1.207 21.429 24.662 1.00 0.00 O ATOM 0 H ASP A 58 1.494 19.655 20.377 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.396 19.980 22.510 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.120 20.495 22.508 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.743 21.917 21.554 1.00 0.00 H new ATOM 849 N LYS A 59 -0.377 22.235 20.079 1.00 0.00 N ATOM 850 CA LYS A 59 -1.196 23.241 19.413 1.00 0.00 C ATOM 851 C LYS A 59 -2.301 22.587 18.591 1.00 0.00 C ATOM 852 O LYS A 59 -2.074 21.471 18.075 1.00 0.00 O ATOM 853 CB LYS A 59 -0.326 24.119 18.511 1.00 0.00 C ATOM 854 CG LYS A 59 0.244 25.339 19.218 1.00 0.00 C ATOM 855 CD LYS A 59 1.717 25.536 18.893 1.00 0.00 C ATOM 856 CE LYS A 59 2.607 24.768 19.855 1.00 0.00 C ATOM 857 NZ LYS A 59 3.076 23.480 19.271 1.00 0.00 N ATOM 0 H LYS A 59 0.559 22.127 19.689 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.659 23.863 20.180 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.495 23.520 18.118 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.918 24.448 17.657 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.316 26.226 18.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.120 25.227 20.295 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.913 25.206 17.873 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.962 26.597 18.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.468 25.381 20.121 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.060 24.571 20.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.552 22.692 19.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.911 23.484 18.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.092 23.364 19.458 1.00 0.00 H new TER 871 LYS A 59