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 147:sc= -0.324 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -5.98! C(o=-8.8!,f=-10!) USER MOD Set 1.3: A 34 CYS SG : rot 80:sc= 0.103 USER MOD Set 1.4: A 37 CYS SG : rot -46:sc= -2.56! 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= -0.758 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.793 USER MOD Single : A 32 MET CE :methyl 148:sc= -0.358 (180deg=-2.03) 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 USER MOD Single : A 57 ASN : amide:sc= -0.495 K(o=-0.49,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.0799 (180deg=-0.717) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -29.903 -4.847 -4.247 1.00 0.00 N ATOM 2 CA ALA A 2 -30.210 -3.419 -4.523 1.00 0.00 C ATOM 3 C ALA A 2 -31.080 -3.275 -5.767 1.00 0.00 C ATOM 4 O ALA A 2 -31.244 -4.225 -6.534 1.00 0.00 O ATOM 5 CB ALA A 2 -28.922 -2.625 -4.686 1.00 0.00 C ATOM 0 HA ALA A 2 -30.766 -3.022 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -29.161 -1.581 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -28.335 -2.692 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -28.346 -3.032 -5.517 1.00 0.00 H new ATOM 10 N SER A 3 -31.634 -2.084 -5.961 1.00 0.00 N ATOM 11 CA SER A 3 -32.487 -1.815 -7.114 1.00 0.00 C ATOM 12 C SER A 3 -31.679 -1.221 -8.262 1.00 0.00 C ATOM 13 O SER A 3 -31.988 -1.444 -9.432 1.00 0.00 O ATOM 14 CB SER A 3 -33.621 -0.865 -6.725 1.00 0.00 C ATOM 15 OG SER A 3 -34.828 -1.214 -7.381 1.00 0.00 O ATOM 0 H SER A 3 -31.508 -1.289 -5.335 1.00 0.00 H new ATOM 0 HA SER A 3 -32.914 -2.761 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.769 -0.894 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.347 0.158 -6.982 1.00 0.00 H new ATOM 0 HG SER A 3 -35.537 -0.592 -7.114 1.00 0.00 H new ATOM 21 N THR A 4 -30.644 -0.463 -7.919 1.00 0.00 N ATOM 22 CA THR A 4 -29.791 0.165 -8.923 1.00 0.00 C ATOM 23 C THR A 4 -28.337 0.190 -8.460 1.00 0.00 C ATOM 24 O THR A 4 -28.050 0.478 -7.299 1.00 0.00 O ATOM 25 CB THR A 4 -30.271 1.588 -9.212 1.00 0.00 C ATOM 26 OG1 THR A 4 -30.687 2.229 -8.019 1.00 0.00 O ATOM 27 CG2 THR A 4 -31.425 1.642 -10.189 1.00 0.00 C ATOM 0 H THR A 4 -30.375 -0.268 -6.955 1.00 0.00 H new ATOM 0 HA THR A 4 -29.853 -0.424 -9.838 1.00 0.00 H new ATOM 0 HB THR A 4 -29.416 2.098 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 4 -30.989 3.138 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 4 -31.717 2.680 -10.350 1.00 0.00 H new ATOM 0 HG22 THR A 4 -31.120 1.199 -11.137 1.00 0.00 H new ATOM 0 HG23 THR A 4 -32.271 1.086 -9.784 1.00 0.00 H new ATOM 35 N SER A 5 -27.425 -0.113 -9.377 1.00 0.00 N ATOM 36 CA SER A 5 -26.001 -0.125 -9.064 1.00 0.00 C ATOM 37 C SER A 5 -25.169 -0.383 -10.316 1.00 0.00 C ATOM 38 O SER A 5 -25.495 -1.255 -11.121 1.00 0.00 O ATOM 39 CB SER A 5 -25.700 -1.190 -8.009 1.00 0.00 C ATOM 40 OG SER A 5 -24.519 -0.877 -7.290 1.00 0.00 O ATOM 0 H SER A 5 -27.646 -0.354 -10.343 1.00 0.00 H new ATOM 0 HA SER A 5 -25.733 0.855 -8.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.540 -1.270 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.590 -2.162 -8.490 1.00 0.00 H new ATOM 0 HG SER A 5 -24.350 -1.572 -6.621 1.00 0.00 H new ATOM 46 N ARG A 6 -24.092 0.381 -10.472 1.00 0.00 N ATOM 47 CA ARG A 6 -23.211 0.235 -11.624 1.00 0.00 C ATOM 48 C ARG A 6 -22.498 -1.115 -11.594 1.00 0.00 C ATOM 49 O ARG A 6 -22.853 -1.996 -10.814 1.00 0.00 O ATOM 50 CB ARG A 6 -22.189 1.375 -11.657 1.00 0.00 C ATOM 51 CG ARG A 6 -22.424 2.371 -12.779 1.00 0.00 C ATOM 52 CD ARG A 6 -21.710 1.955 -14.054 1.00 0.00 C ATOM 53 NE ARG A 6 -22.610 1.286 -14.993 1.00 0.00 N ATOM 54 CZ ARG A 6 -23.466 1.928 -15.784 1.00 0.00 C ATOM 55 NH1 ARG A 6 -23.544 3.254 -15.754 1.00 0.00 N ATOM 56 NH2 ARG A 6 -24.248 1.244 -16.608 1.00 0.00 N ATOM 0 H ARG A 6 -23.809 1.108 -9.814 1.00 0.00 H new ATOM 0 HA ARG A 6 -23.818 0.280 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -22.215 1.902 -10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -21.190 0.953 -11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -23.493 2.457 -12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -22.075 3.357 -12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.277 2.835 -14.531 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.884 1.288 -13.806 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.580 0.268 -15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.946 3.786 -15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -24.202 3.740 -16.363 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.193 0.226 -16.635 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -24.904 1.736 -17.214 1.00 0.00 H new ATOM 70 N LEU A 7 -21.491 -1.268 -12.450 1.00 0.00 N ATOM 71 CA LEU A 7 -20.727 -2.512 -12.524 1.00 0.00 C ATOM 72 C LEU A 7 -20.304 -2.982 -11.134 1.00 0.00 C ATOM 73 O LEU A 7 -20.427 -2.248 -10.155 1.00 0.00 O ATOM 74 CB LEU A 7 -19.492 -2.321 -13.407 1.00 0.00 C ATOM 75 CG LEU A 7 -19.756 -2.394 -14.915 1.00 0.00 C ATOM 76 CD1 LEU A 7 -19.286 -1.122 -15.604 1.00 0.00 C ATOM 77 CD2 LEU A 7 -19.074 -3.613 -15.519 1.00 0.00 C ATOM 0 H LEU A 7 -21.184 -0.546 -13.103 1.00 0.00 H new ATOM 0 HA LEU A 7 -21.369 -3.276 -12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.046 -1.353 -13.178 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.756 -3.081 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.831 -2.490 -15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.482 -1.194 -16.674 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.822 -0.266 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.216 -0.993 -15.439 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.273 -3.648 -16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.999 -3.549 -15.351 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.461 -4.517 -15.049 1.00 0.00 H new ATOM 89 N ASP A 8 -19.806 -4.212 -11.060 1.00 0.00 N ATOM 90 CA ASP A 8 -19.366 -4.784 -9.791 1.00 0.00 C ATOM 91 C ASP A 8 -17.957 -4.317 -9.441 1.00 0.00 C ATOM 92 O ASP A 8 -17.364 -3.508 -10.156 1.00 0.00 O ATOM 93 CB ASP A 8 -19.409 -6.312 -9.856 1.00 0.00 C ATOM 94 CG ASP A 8 -18.669 -6.860 -11.061 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.466 -6.555 -11.207 1.00 0.00 O ATOM 96 OD2 ASP A 8 -19.290 -7.594 -11.856 1.00 0.00 O ATOM 0 H ASP A 8 -19.697 -4.832 -11.863 1.00 0.00 H new ATOM 0 HA ASP A 8 -20.045 -4.440 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.972 -6.724 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -20.447 -6.643 -9.889 1.00 0.00 H new ATOM 101 N ALA A 9 -17.425 -4.830 -8.336 1.00 0.00 N ATOM 102 CA ALA A 9 -16.086 -4.466 -7.890 1.00 0.00 C ATOM 103 C ALA A 9 -15.044 -4.781 -8.959 1.00 0.00 C ATOM 104 O ALA A 9 -14.798 -5.944 -9.279 1.00 0.00 O ATOM 105 CB ALA A 9 -15.747 -5.188 -6.594 1.00 0.00 C ATOM 0 H ALA A 9 -17.902 -5.500 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.071 -3.391 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.744 -4.907 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.466 -4.910 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.787 -6.265 -6.756 1.00 0.00 H new ATOM 111 N LEU A 10 -14.439 -3.735 -9.512 1.00 0.00 N ATOM 112 CA LEU A 10 -13.424 -3.895 -10.547 1.00 0.00 C ATOM 113 C LEU A 10 -12.092 -4.355 -9.953 1.00 0.00 C ATOM 114 O LEU A 10 -11.496 -5.319 -10.434 1.00 0.00 O ATOM 115 CB LEU A 10 -13.230 -2.585 -11.317 1.00 0.00 C ATOM 116 CG LEU A 10 -14.480 -1.710 -11.436 1.00 0.00 C ATOM 117 CD1 LEU A 10 -14.438 -0.578 -10.419 1.00 0.00 C ATOM 118 CD2 LEU A 10 -14.614 -1.154 -12.847 1.00 0.00 C ATOM 0 H LEU A 10 -14.634 -2.766 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.773 -4.664 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.446 -2.007 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.874 -2.821 -12.320 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.352 -2.329 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.335 0.034 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.392 -0.994 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.557 0.038 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.509 -0.535 -12.911 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.738 -0.551 -13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.692 -1.978 -13.557 1.00 0.00 H new ATOM 130 N PRO A 11 -11.599 -3.673 -8.901 1.00 0.00 N ATOM 131 CA PRO A 11 -10.331 -4.030 -8.263 1.00 0.00 C ATOM 132 C PRO A 11 -10.457 -5.257 -7.366 1.00 0.00 C ATOM 133 O PRO A 11 -11.560 -5.730 -7.096 1.00 0.00 O ATOM 134 CB PRO A 11 -9.998 -2.792 -7.433 1.00 0.00 C ATOM 135 CG PRO A 11 -11.321 -2.201 -7.093 1.00 0.00 C ATOM 136 CD PRO A 11 -12.233 -2.505 -8.254 1.00 0.00 C ATOM 0 HA PRO A 11 -9.565 -4.292 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.439 -3.055 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.383 -2.090 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.712 -2.629 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.237 -1.126 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.245 -2.733 -7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.306 -1.659 -8.938 1.00 0.00 H new ATOM 144 N ARG A 12 -9.318 -5.769 -6.910 1.00 0.00 N ATOM 145 CA ARG A 12 -9.299 -6.942 -6.045 1.00 0.00 C ATOM 146 C ARG A 12 -8.858 -6.572 -4.631 1.00 0.00 C ATOM 147 O ARG A 12 -7.859 -5.878 -4.443 1.00 0.00 O ATOM 148 CB ARG A 12 -8.365 -8.008 -6.621 1.00 0.00 C ATOM 149 CG ARG A 12 -8.664 -8.360 -8.071 1.00 0.00 C ATOM 150 CD ARG A 12 -7.791 -7.567 -9.029 1.00 0.00 C ATOM 151 NE ARG A 12 -6.479 -8.184 -9.216 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.290 -9.357 -9.815 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.325 -10.041 -10.290 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.065 -9.846 -9.944 1.00 0.00 N ATOM 0 H ARG A 12 -8.396 -5.389 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.312 -7.342 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.336 -7.657 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.439 -8.910 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.502 -9.426 -8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.714 -8.162 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.293 -7.485 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.664 -6.554 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.660 -7.686 -8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.269 -9.667 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.175 -10.940 -10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.267 -9.323 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.921 -10.745 -10.403 1.00 0.00 H new ATOM 168 N VAL A 13 -9.612 -7.039 -3.641 1.00 0.00 N ATOM 169 CA VAL A 13 -9.299 -6.757 -2.243 1.00 0.00 C ATOM 170 C VAL A 13 -8.503 -7.898 -1.612 1.00 0.00 C ATOM 171 O VAL A 13 -8.458 -8.036 -0.390 1.00 0.00 O ATOM 172 CB VAL A 13 -10.582 -6.517 -1.420 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.428 -7.782 -1.354 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.237 -6.025 -0.022 1.00 0.00 C ATOM 0 H VAL A 13 -10.443 -7.614 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.693 -5.851 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.168 -5.745 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.327 -7.588 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.710 -8.084 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.853 -8.580 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.155 -5.861 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.626 -6.771 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.683 -5.089 -0.092 1.00 0.00 H new ATOM 184 N THR A 14 -7.877 -8.716 -2.453 1.00 0.00 N ATOM 185 CA THR A 14 -7.086 -9.845 -1.979 1.00 0.00 C ATOM 186 C THR A 14 -6.472 -10.598 -3.152 1.00 0.00 C ATOM 187 O THR A 14 -6.651 -10.219 -4.309 1.00 0.00 O ATOM 188 CB THR A 14 -7.951 -10.792 -1.142 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.326 -10.499 -1.309 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.645 -10.730 0.339 1.00 0.00 C ATOM 0 H THR A 14 -7.903 -8.617 -3.468 1.00 0.00 H new ATOM 0 HA THR A 14 -6.282 -9.459 -1.352 1.00 0.00 H new ATOM 0 HB THR A 14 -7.715 -11.792 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.860 -11.116 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.293 -11.425 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.603 -11.003 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.819 -9.718 0.704 1.00 0.00 H new ATOM 198 N CYS A 15 -5.746 -11.667 -2.846 1.00 0.00 N ATOM 199 CA CYS A 15 -5.103 -12.470 -3.875 1.00 0.00 C ATOM 200 C CYS A 15 -6.134 -13.253 -4.691 1.00 0.00 C ATOM 201 O CYS A 15 -7.035 -13.876 -4.131 1.00 0.00 O ATOM 202 CB CYS A 15 -4.102 -13.432 -3.241 1.00 0.00 C ATOM 203 SG CYS A 15 -3.147 -14.390 -4.436 1.00 0.00 S ATOM 0 H CYS A 15 -5.589 -11.996 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.577 -11.795 -4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.415 -12.864 -2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.638 -14.118 -2.586 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.954 -14.605 -3.966 1.00 0.00 H new ATOM 209 N PRO A 16 -6.011 -13.232 -6.030 1.00 0.00 N ATOM 210 CA PRO A 16 -6.935 -13.944 -6.920 1.00 0.00 C ATOM 211 C PRO A 16 -6.839 -15.454 -6.753 1.00 0.00 C ATOM 212 O PRO A 16 -7.810 -16.178 -6.966 1.00 0.00 O ATOM 213 CB PRO A 16 -6.477 -13.532 -8.322 1.00 0.00 C ATOM 214 CG PRO A 16 -5.054 -13.129 -8.152 1.00 0.00 C ATOM 215 CD PRO A 16 -4.964 -12.517 -6.784 1.00 0.00 C ATOM 0 HA PRO A 16 -7.975 -13.695 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.573 -14.357 -9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.078 -12.709 -8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.391 -13.989 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.755 -12.416 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.978 -12.661 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.148 -11.443 -6.810 1.00 0.00 H new ATOM 223 N ASN A 17 -5.657 -15.922 -6.368 1.00 0.00 N ATOM 224 CA ASN A 17 -5.429 -17.344 -6.170 1.00 0.00 C ATOM 225 C ASN A 17 -5.542 -17.708 -4.693 1.00 0.00 C ATOM 226 O ASN A 17 -5.679 -18.880 -4.340 1.00 0.00 O ATOM 227 CB ASN A 17 -4.053 -17.743 -6.709 1.00 0.00 C ATOM 228 CG ASN A 17 -4.148 -18.554 -7.987 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.723 -18.106 -8.979 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.582 -19.756 -7.968 1.00 0.00 N ATOM 0 H ASN A 17 -4.843 -15.335 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.194 -17.892 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.464 -16.845 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.523 -18.322 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.614 -20.348 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.116 -20.087 -7.123 1.00 0.00 H new ATOM 237 N HIS A 18 -5.482 -16.698 -3.835 1.00 0.00 N ATOM 238 CA HIS A 18 -5.578 -16.913 -2.402 1.00 0.00 C ATOM 239 C HIS A 18 -6.574 -15.955 -1.765 1.00 0.00 C ATOM 240 O HIS A 18 -6.193 -14.899 -1.256 1.00 0.00 O ATOM 241 CB HIS A 18 -4.215 -16.730 -1.749 1.00 0.00 C ATOM 242 CG HIS A 18 -3.218 -17.769 -2.130 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.040 -17.481 -2.781 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.212 -19.101 -1.911 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.348 -18.594 -2.946 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.038 -19.594 -2.429 1.00 0.00 N ATOM 0 H HIS A 18 -5.367 -15.722 -4.109 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.927 -17.933 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.823 -15.749 -2.018 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.338 -16.738 -0.666 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.747 -16.553 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.986 -19.673 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.382 -18.673 -3.423 1.00 0.00 H new ATOM 255 N PRO A 19 -7.865 -16.308 -1.769 1.00 0.00 N ATOM 256 CA PRO A 19 -8.900 -15.469 -1.172 1.00 0.00 C ATOM 257 C PRO A 19 -8.642 -15.243 0.312 1.00 0.00 C ATOM 258 O PRO A 19 -8.788 -14.130 0.817 1.00 0.00 O ATOM 259 CB PRO A 19 -10.193 -16.268 -1.384 1.00 0.00 C ATOM 260 CG PRO A 19 -9.751 -17.665 -1.661 1.00 0.00 C ATOM 261 CD PRO A 19 -8.414 -17.551 -2.333 1.00 0.00 C ATOM 0 HA PRO A 19 -8.938 -14.476 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.831 -16.225 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.772 -15.866 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.676 -18.241 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.467 -18.181 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.778 -18.409 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.511 -17.494 -3.417 1.00 0.00 H new ATOM 269 N ASP A 20 -8.268 -16.314 1.006 1.00 0.00 N ATOM 270 CA ASP A 20 -8.001 -16.247 2.436 1.00 0.00 C ATOM 271 C ASP A 20 -6.668 -15.565 2.748 1.00 0.00 C ATOM 272 O ASP A 20 -6.403 -15.228 3.903 1.00 0.00 O ATOM 273 CB ASP A 20 -8.012 -17.654 3.037 1.00 0.00 C ATOM 274 CG ASP A 20 -9.409 -18.240 3.110 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.299 -17.742 2.390 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.612 -19.197 3.886 1.00 0.00 O ATOM 0 H ASP A 20 -8.143 -17.241 0.598 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.791 -15.644 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.378 -18.307 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.581 -17.622 4.038 1.00 0.00 H new ATOM 281 N ALA A 21 -5.826 -15.350 1.736 1.00 0.00 N ATOM 282 CA ALA A 21 -4.538 -14.694 1.968 1.00 0.00 C ATOM 283 C ALA A 21 -4.560 -13.235 1.534 1.00 0.00 C ATOM 284 O ALA A 21 -4.435 -12.921 0.350 1.00 0.00 O ATOM 285 CB ALA A 21 -3.404 -15.421 1.265 1.00 0.00 C ATOM 0 H ALA A 21 -6.006 -15.614 0.767 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.362 -14.732 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.464 -14.905 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.341 -16.443 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.592 -15.437 0.192 1.00 0.00 H new ATOM 291 N ILE A 22 -4.676 -12.351 2.512 1.00 0.00 N ATOM 292 CA ILE A 22 -4.665 -10.920 2.246 1.00 0.00 C ATOM 293 C ILE A 22 -3.231 -10.487 1.975 1.00 0.00 C ATOM 294 O ILE A 22 -2.328 -10.838 2.737 1.00 0.00 O ATOM 295 CB ILE A 22 -5.233 -10.110 3.430 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.457 -10.814 4.024 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.593 -8.702 2.981 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.145 -11.618 5.268 1.00 0.00 C ATOM 0 H ILE A 22 -4.779 -12.598 3.496 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.299 -10.725 1.381 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.468 -10.043 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.215 -10.068 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.887 -11.475 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.993 -8.142 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.702 -8.202 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.343 -8.752 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.057 -12.089 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.410 -12.387 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.743 -10.958 6.037 1.00 0.00 H new ATOM 310 N LEU A 23 -2.997 -9.747 0.893 1.00 0.00 N ATOM 311 CA LEU A 23 -1.649 -9.318 0.565 1.00 0.00 C ATOM 312 C LEU A 23 -1.170 -8.239 1.521 1.00 0.00 C ATOM 313 O LEU A 23 -1.892 -7.299 1.847 1.00 0.00 O ATOM 314 CB LEU A 23 -1.585 -8.810 -0.879 1.00 0.00 C ATOM 315 CG LEU A 23 -1.312 -9.885 -1.935 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.614 -10.496 -2.436 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.505 -9.317 -3.094 1.00 0.00 C ATOM 0 H LEU A 23 -3.716 -9.438 0.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.989 -10.180 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.529 -8.320 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.806 -8.051 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.723 -10.674 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.394 -11.257 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.147 -10.952 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.234 -9.717 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.325 -10.100 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.060 -8.503 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.449 -8.941 -2.724 1.00 0.00 H new ATOM 329 N VAL A 24 0.056 -8.374 1.974 1.00 0.00 N ATOM 330 CA VAL A 24 0.616 -7.409 2.885 1.00 0.00 C ATOM 331 C VAL A 24 1.260 -6.271 2.113 1.00 0.00 C ATOM 332 O VAL A 24 1.603 -6.416 0.944 1.00 0.00 O ATOM 333 CB VAL A 24 1.606 -8.075 3.843 1.00 0.00 C ATOM 334 CG1 VAL A 24 2.121 -7.080 4.871 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.917 -9.257 4.511 1.00 0.00 C ATOM 0 H VAL A 24 0.681 -9.141 1.726 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.187 -6.990 3.491 1.00 0.00 H new ATOM 0 HB VAL A 24 2.473 -8.432 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.823 -7.578 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.626 -6.259 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.284 -6.688 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.611 -9.742 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.046 -8.905 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.600 -9.971 3.751 1.00 0.00 H new ATOM 345 N GLU A 25 1.380 -5.130 2.765 1.00 0.00 N ATOM 346 CA GLU A 25 1.924 -3.957 2.149 1.00 0.00 C ATOM 347 C GLU A 25 3.431 -3.977 2.168 1.00 0.00 C ATOM 348 O GLU A 25 4.068 -4.065 3.218 1.00 0.00 O ATOM 349 CB GLU A 25 1.403 -2.698 2.844 1.00 0.00 C ATOM 350 CG GLU A 25 0.332 -1.966 2.051 1.00 0.00 C ATOM 351 CD GLU A 25 0.460 -0.458 2.150 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.649 0.049 3.276 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.371 0.214 1.101 1.00 0.00 O ATOM 0 H GLU A 25 1.100 -5.001 3.737 1.00 0.00 H new ATOM 0 HA GLU A 25 1.600 -3.946 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.999 -2.972 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.238 -2.020 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.393 -2.264 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.651 -2.268 2.411 1.00 0.00 H new ATOM 360 N ASP A 26 3.977 -3.846 0.986 1.00 0.00 N ATOM 361 CA ASP A 26 5.401 -3.791 0.782 1.00 0.00 C ATOM 362 C ASP A 26 6.115 -5.134 0.916 1.00 0.00 C ATOM 363 O ASP A 26 6.730 -5.410 1.944 1.00 0.00 O ATOM 364 CB ASP A 26 6.040 -2.764 1.713 1.00 0.00 C ATOM 365 CG ASP A 26 5.292 -1.444 1.723 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.962 -0.941 0.629 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.034 -0.916 2.825 1.00 0.00 O ATOM 0 H ASP A 26 3.435 -3.773 0.125 1.00 0.00 H new ATOM 0 HA ASP A 26 5.528 -3.488 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.073 -3.167 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.071 -2.591 1.405 1.00 0.00 H new ATOM 372 N TYR A 27 6.065 -5.954 -0.141 1.00 0.00 N ATOM 373 CA TYR A 27 6.754 -7.248 -0.143 1.00 0.00 C ATOM 374 C TYR A 27 8.201 -7.045 0.260 1.00 0.00 C ATOM 375 O TYR A 27 9.038 -6.740 -0.586 1.00 0.00 O ATOM 376 CB TYR A 27 6.707 -7.883 -1.540 1.00 0.00 C ATOM 377 CG TYR A 27 7.780 -8.928 -1.777 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.098 -9.857 -0.797 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.471 -8.985 -2.982 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.072 -10.812 -1.006 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.449 -9.938 -3.199 1.00 0.00 C ATOM 382 CZ TYR A 27 9.745 -10.850 -2.209 1.00 0.00 C ATOM 383 OH TYR A 27 10.715 -11.802 -2.423 1.00 0.00 O ATOM 0 H TYR A 27 5.557 -5.745 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 27 6.255 -7.911 0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.729 -8.341 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.807 -7.097 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.574 -9.832 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.240 -8.274 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.306 -11.527 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.978 -9.968 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 27 11.090 -11.691 -3.321 1.00 0.00 H new ATOM 393 N ARG A 28 8.486 -7.185 1.557 1.00 0.00 N ATOM 394 CA ARG A 28 9.837 -6.975 2.071 1.00 0.00 C ATOM 395 C ARG A 28 10.189 -5.504 1.898 1.00 0.00 C ATOM 396 O ARG A 28 10.185 -4.725 2.851 1.00 0.00 O ATOM 397 CB ARG A 28 10.848 -7.860 1.336 1.00 0.00 C ATOM 398 CG ARG A 28 10.875 -9.296 1.834 1.00 0.00 C ATOM 399 CD ARG A 28 11.404 -10.244 0.770 1.00 0.00 C ATOM 400 NE ARG A 28 12.846 -10.449 0.886 1.00 0.00 N ATOM 401 CZ ARG A 28 13.611 -10.920 -0.095 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.077 -11.235 -1.270 1.00 0.00 N ATOM 403 NH2 ARG A 28 14.912 -11.075 0.096 1.00 0.00 N ATOM 0 H ARG A 28 7.800 -7.442 2.267 1.00 0.00 H new ATOM 0 HA ARG A 28 9.874 -7.248 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.614 -7.858 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.843 -7.428 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.500 -9.362 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.870 -9.600 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.894 -11.204 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.173 -9.845 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 28 13.293 -10.217 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.076 -11.116 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.668 -11.596 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.328 -10.833 0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.498 -11.436 -0.656 1.00 0.00 H new ATOM 417 N ALA A 29 10.441 -5.138 0.653 1.00 0.00 N ATOM 418 CA ALA A 29 10.738 -3.771 0.275 1.00 0.00 C ATOM 419 C ALA A 29 10.117 -3.506 -1.091 1.00 0.00 C ATOM 420 O ALA A 29 10.658 -2.754 -1.902 1.00 0.00 O ATOM 421 CB ALA A 29 12.241 -3.535 0.243 1.00 0.00 C ATOM 0 H ALA A 29 10.445 -5.790 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 29 10.318 -3.084 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.441 -2.502 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.660 -3.726 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.700 -4.208 -0.482 1.00 0.00 H new ATOM 427 N GLY A 30 8.983 -4.171 -1.348 1.00 0.00 N ATOM 428 CA GLY A 30 8.314 -4.035 -2.629 1.00 0.00 C ATOM 429 C GLY A 30 6.868 -3.570 -2.538 1.00 0.00 C ATOM 430 O GLY A 30 6.549 -2.628 -1.815 1.00 0.00 O ATOM 0 H GLY A 30 8.522 -4.799 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.872 -3.328 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.342 -4.996 -3.143 1.00 0.00 H new ATOM 434 N ASP A 31 6.006 -4.226 -3.316 1.00 0.00 N ATOM 435 CA ASP A 31 4.581 -3.891 -3.383 1.00 0.00 C ATOM 436 C ASP A 31 3.755 -4.700 -2.374 1.00 0.00 C ATOM 437 O ASP A 31 4.109 -4.775 -1.208 1.00 0.00 O ATOM 438 CB ASP A 31 4.079 -4.086 -4.818 1.00 0.00 C ATOM 439 CG ASP A 31 5.133 -3.729 -5.851 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.043 -2.940 -5.523 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.046 -4.237 -6.989 1.00 0.00 O ATOM 0 H ASP A 31 6.275 -5.004 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 31 4.455 -2.844 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.775 -5.124 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.194 -3.470 -4.978 1.00 0.00 H new ATOM 446 N MET A 32 2.657 -5.302 -2.816 1.00 0.00 N ATOM 447 CA MET A 32 1.799 -6.082 -1.937 1.00 0.00 C ATOM 448 C MET A 32 2.129 -7.567 -2.032 1.00 0.00 C ATOM 449 O MET A 32 2.046 -8.164 -3.096 1.00 0.00 O ATOM 450 CB MET A 32 0.364 -5.837 -2.345 1.00 0.00 C ATOM 451 CG MET A 32 -0.155 -4.467 -1.940 1.00 0.00 C ATOM 452 SD MET A 32 -1.870 -4.200 -2.428 1.00 0.00 S ATOM 453 CE MET A 32 -2.663 -5.606 -1.653 1.00 0.00 C ATOM 0 H MET A 32 2.340 -5.263 -3.785 1.00 0.00 H new ATOM 0 HA MET A 32 1.957 -5.777 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.278 -5.944 -3.426 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.269 -6.604 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.067 -4.355 -0.859 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.471 -3.698 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.676 -5.335 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.701 -6.437 -2.358 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.095 -5.904 -0.771 1.00 0.00 H new ATOM 463 N ILE A 33 2.565 -8.140 -0.925 1.00 0.00 N ATOM 464 CA ILE A 33 2.986 -9.530 -0.886 1.00 0.00 C ATOM 465 C ILE A 33 1.917 -10.468 -0.336 1.00 0.00 C ATOM 466 O ILE A 33 1.468 -10.322 0.799 1.00 0.00 O ATOM 467 CB ILE A 33 4.253 -9.608 -0.006 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.094 -10.852 -0.285 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.881 -9.526 1.461 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.464 -12.141 0.186 1.00 0.00 C ATOM 0 H ILE A 33 2.637 -7.657 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 33 3.179 -9.859 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 33 4.875 -8.751 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.277 -10.920 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.065 -10.737 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.784 -9.582 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.371 -8.582 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.220 -10.354 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.124 -12.976 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.306 -12.096 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.507 -12.283 -0.315 1.00 0.00 H new ATOM 482 N CYS A 34 1.549 -11.469 -1.123 1.00 0.00 N ATOM 483 CA CYS A 34 0.581 -12.453 -0.668 1.00 0.00 C ATOM 484 C CYS A 34 1.343 -13.568 0.034 1.00 0.00 C ATOM 485 O CYS A 34 1.896 -14.436 -0.628 1.00 0.00 O ATOM 486 CB CYS A 34 -0.220 -13.030 -1.834 1.00 0.00 C ATOM 487 SG CYS A 34 -1.305 -14.408 -1.387 1.00 0.00 S ATOM 0 H CYS A 34 1.902 -11.619 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.127 -11.976 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.824 -12.236 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.474 -13.365 -2.605 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.394 -13.946 -0.847 1.00 0.00 H new ATOM 493 N PRO A 35 1.381 -13.567 1.377 1.00 0.00 N ATOM 494 CA PRO A 35 2.103 -14.570 2.170 1.00 0.00 C ATOM 495 C PRO A 35 1.985 -15.991 1.632 1.00 0.00 C ATOM 496 O PRO A 35 2.785 -16.861 1.983 1.00 0.00 O ATOM 497 CB PRO A 35 1.456 -14.470 3.563 1.00 0.00 C ATOM 498 CG PRO A 35 0.376 -13.440 3.447 1.00 0.00 C ATOM 499 CD PRO A 35 0.713 -12.602 2.248 1.00 0.00 C ATOM 0 HA PRO A 35 3.174 -14.370 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.046 -15.431 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.191 -14.181 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.599 -13.912 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.326 -12.827 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.178 -12.181 1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.364 -11.766 2.505 1.00 0.00 H new ATOM 507 N GLU A 36 0.974 -16.236 0.826 1.00 0.00 N ATOM 508 CA GLU A 36 0.732 -17.562 0.293 1.00 0.00 C ATOM 509 C GLU A 36 1.508 -17.793 -0.994 1.00 0.00 C ATOM 510 O GLU A 36 2.427 -18.603 -1.035 1.00 0.00 O ATOM 511 CB GLU A 36 -0.764 -17.745 0.062 1.00 0.00 C ATOM 512 CG GLU A 36 -1.512 -18.254 1.284 1.00 0.00 C ATOM 513 CD GLU A 36 -1.036 -19.620 1.732 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.039 -19.686 2.482 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.659 -20.627 1.334 1.00 0.00 O ATOM 0 H GLU A 36 0.302 -15.531 0.523 1.00 0.00 H new ATOM 0 HA GLU A 36 1.081 -18.300 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.195 -16.792 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.913 -18.443 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.389 -17.544 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.578 -18.300 1.060 1.00 0.00 H new ATOM 522 N CYS A 37 1.181 -17.037 -2.028 1.00 0.00 N ATOM 523 CA CYS A 37 1.901 -17.149 -3.291 1.00 0.00 C ATOM 524 C CYS A 37 3.061 -16.183 -3.251 1.00 0.00 C ATOM 525 O CYS A 37 4.036 -16.308 -3.988 1.00 0.00 O ATOM 526 CB CYS A 37 0.999 -16.831 -4.486 1.00 0.00 C ATOM 527 SG CYS A 37 0.076 -15.289 -4.328 1.00 0.00 S ATOM 0 H CYS A 37 0.431 -16.346 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 37 2.250 -18.174 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.611 -16.784 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.294 -17.651 -4.623 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.448 -15.217 -3.141 1.00 0.00 H new ATOM 533 N GLY A 38 2.920 -15.217 -2.358 1.00 0.00 N ATOM 534 CA GLY A 38 3.912 -14.204 -2.164 1.00 0.00 C ATOM 535 C GLY A 38 4.020 -13.276 -3.350 1.00 0.00 C ATOM 536 O GLY A 38 5.080 -12.717 -3.630 1.00 0.00 O ATOM 0 H GLY A 38 2.106 -15.124 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.668 -13.625 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.879 -14.674 -1.984 1.00 0.00 H new ATOM 540 N LEU A 39 2.902 -13.118 -4.046 1.00 0.00 N ATOM 541 CA LEU A 39 2.837 -12.259 -5.213 1.00 0.00 C ATOM 542 C LEU A 39 2.969 -10.804 -4.807 1.00 0.00 C ATOM 543 O LEU A 39 2.519 -10.414 -3.732 1.00 0.00 O ATOM 544 CB LEU A 39 1.521 -12.476 -5.969 1.00 0.00 C ATOM 545 CG LEU A 39 0.383 -11.503 -5.620 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.084 -10.591 -6.800 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.865 -12.261 -5.202 1.00 0.00 C ATOM 0 H LEU A 39 2.022 -13.580 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 39 3.665 -12.516 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.721 -12.403 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.177 -13.492 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 39 0.704 -10.888 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.724 -9.908 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.976 -10.018 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.215 -11.193 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.657 -11.552 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.191 -12.904 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.644 -12.871 -4.326 1.00 0.00 H new ATOM 559 N VAL A 40 3.604 -10.023 -5.670 1.00 0.00 N ATOM 560 CA VAL A 40 3.822 -8.614 -5.424 1.00 0.00 C ATOM 561 C VAL A 40 2.956 -7.772 -6.348 1.00 0.00 C ATOM 562 O VAL A 40 3.074 -7.856 -7.570 1.00 0.00 O ATOM 563 CB VAL A 40 5.300 -8.251 -5.639 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.562 -6.803 -5.270 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.191 -9.181 -4.836 1.00 0.00 C ATOM 0 H VAL A 40 3.980 -10.353 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 40 3.550 -8.406 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 40 5.534 -8.373 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.615 -6.571 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.948 -6.152 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.312 -6.644 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.235 -8.913 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.952 -9.089 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.026 -10.210 -5.157 1.00 0.00 H new ATOM 575 N VAL A 41 2.094 -6.947 -5.766 1.00 0.00 N ATOM 576 CA VAL A 41 1.229 -6.080 -6.554 1.00 0.00 C ATOM 577 C VAL A 41 1.441 -4.627 -6.141 1.00 0.00 C ATOM 578 O VAL A 41 1.334 -4.297 -4.959 1.00 0.00 O ATOM 579 CB VAL A 41 -0.277 -6.399 -6.394 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.989 -6.280 -7.733 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.519 -7.767 -5.786 1.00 0.00 C ATOM 0 H VAL A 41 1.976 -6.861 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 41 1.502 -6.252 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.688 -5.665 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.047 -6.507 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.880 -5.265 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.551 -6.983 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.591 -7.941 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.080 -8.532 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.060 -7.813 -4.799 1.00 0.00 H new ATOM 591 N GLY A 42 1.735 -3.757 -7.104 1.00 0.00 N ATOM 592 CA GLY A 42 1.952 -2.360 -6.798 1.00 0.00 C ATOM 593 C GLY A 42 3.300 -1.899 -7.292 1.00 0.00 C ATOM 594 O GLY A 42 3.860 -2.504 -8.202 1.00 0.00 O ATOM 0 H GLY A 42 1.826 -3.999 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.168 -1.758 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.884 -2.206 -5.721 1.00 0.00 H new ATOM 598 N ASP A 43 3.824 -0.836 -6.684 1.00 0.00 N ATOM 599 CA ASP A 43 5.131 -0.273 -7.044 1.00 0.00 C ATOM 600 C ASP A 43 4.984 1.101 -7.690 1.00 0.00 C ATOM 601 O ASP A 43 5.851 1.530 -8.451 1.00 0.00 O ATOM 602 CB ASP A 43 5.924 -1.191 -7.986 1.00 0.00 C ATOM 603 CG ASP A 43 7.360 -0.739 -8.160 1.00 0.00 C ATOM 604 OD1 ASP A 43 8.018 -0.445 -7.139 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.826 -0.677 -9.316 1.00 0.00 O ATOM 0 H ASP A 43 3.356 -0.338 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 43 5.686 -0.178 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.911 -2.208 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.434 -1.219 -8.959 1.00 0.00 H new ATOM 610 N ARG A 44 3.890 1.791 -7.386 1.00 0.00 N ATOM 611 CA ARG A 44 3.648 3.119 -7.943 1.00 0.00 C ATOM 612 C ARG A 44 2.344 3.707 -7.417 1.00 0.00 C ATOM 613 O ARG A 44 1.551 3.015 -6.776 1.00 0.00 O ATOM 614 CB ARG A 44 3.608 3.057 -9.472 1.00 0.00 C ATOM 615 CG ARG A 44 2.461 2.222 -10.017 1.00 0.00 C ATOM 616 CD ARG A 44 2.350 2.344 -11.527 1.00 0.00 C ATOM 617 NE ARG A 44 1.276 3.252 -11.924 1.00 0.00 N ATOM 618 CZ ARG A 44 0.852 3.397 -13.178 1.00 0.00 C ATOM 619 NH1 ARG A 44 1.412 2.699 -14.159 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.131 4.242 -13.454 1.00 0.00 N ATOM 0 H ARG A 44 3.159 1.455 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 44 4.468 3.765 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.528 4.070 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.550 2.646 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.610 1.177 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.526 2.541 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.296 2.702 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.171 1.359 -11.958 1.00 0.00 H new ATOM 0 HE ARG A 44 0.824 3.808 -11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.170 2.048 -13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.084 2.813 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.564 4.783 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.454 4.352 -14.415 1.00 0.00 H new ATOM 634 N VAL A 45 2.129 4.987 -7.696 1.00 0.00 N ATOM 635 CA VAL A 45 0.920 5.673 -7.257 1.00 0.00 C ATOM 636 C VAL A 45 -0.038 5.887 -8.426 1.00 0.00 C ATOM 637 O VAL A 45 0.370 6.325 -9.502 1.00 0.00 O ATOM 638 CB VAL A 45 1.247 7.036 -6.612 1.00 0.00 C ATOM 639 CG1 VAL A 45 1.906 7.967 -7.618 1.00 0.00 C ATOM 640 CG2 VAL A 45 -0.010 7.668 -6.033 1.00 0.00 C ATOM 0 H VAL A 45 2.777 5.571 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 45 0.444 5.037 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 45 1.952 6.868 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.127 8.921 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.832 7.518 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.232 8.130 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.240 8.628 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.740 7.819 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.432 7.010 -5.273 1.00 0.00 H new ATOM 650 N ILE A 46 -1.311 5.575 -8.208 1.00 0.00 N ATOM 651 CA ILE A 46 -2.325 5.732 -9.246 1.00 0.00 C ATOM 652 C ILE A 46 -2.331 7.153 -9.803 1.00 0.00 C ATOM 653 O ILE A 46 -2.567 8.116 -9.073 1.00 0.00 O ATOM 654 CB ILE A 46 -3.730 5.388 -8.709 1.00 0.00 C ATOM 655 CG1 ILE A 46 -4.750 5.388 -9.850 1.00 0.00 C ATOM 656 CG2 ILE A 46 -4.142 6.367 -7.620 1.00 0.00 C ATOM 657 CD1 ILE A 46 -5.915 4.449 -9.618 1.00 0.00 C ATOM 0 H ILE A 46 -1.666 5.212 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.071 5.039 -10.048 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.699 4.389 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.131 6.400 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.247 5.109 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.136 6.108 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.428 6.318 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.158 7.378 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.598 4.500 -10.466 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.545 3.429 -9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.442 4.741 -8.709 1.00 0.00 H new ATOM 669 N ASP A 47 -2.067 7.275 -11.100 1.00 0.00 N ATOM 670 CA ASP A 47 -2.040 8.577 -11.759 1.00 0.00 C ATOM 671 C ASP A 47 -3.355 9.322 -11.558 1.00 0.00 C ATOM 672 O ASP A 47 -4.327 9.090 -12.278 1.00 0.00 O ATOM 673 CB ASP A 47 -1.757 8.411 -13.253 1.00 0.00 C ATOM 674 CG ASP A 47 -1.134 9.651 -13.866 1.00 0.00 C ATOM 675 OD1 ASP A 47 -1.894 10.532 -14.321 1.00 0.00 O ATOM 676 OD2 ASP A 47 0.110 9.739 -13.890 1.00 0.00 O ATOM 0 H ASP A 47 -1.868 6.487 -11.717 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.241 9.165 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.090 7.562 -13.401 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.687 8.180 -13.773 1.00 0.00 H new ATOM 681 N VAL A 48 -3.378 10.217 -10.577 1.00 0.00 N ATOM 682 CA VAL A 48 -4.574 11.000 -10.281 1.00 0.00 C ATOM 683 C VAL A 48 -4.209 12.348 -9.671 1.00 0.00 C ATOM 684 O VAL A 48 -4.968 12.908 -8.879 1.00 0.00 O ATOM 685 CB VAL A 48 -5.513 10.251 -9.317 1.00 0.00 C ATOM 686 CG1 VAL A 48 -6.858 10.953 -9.229 1.00 0.00 C ATOM 687 CG2 VAL A 48 -5.686 8.804 -9.753 1.00 0.00 C ATOM 0 H VAL A 48 -2.582 10.419 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.090 11.159 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.061 10.255 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.508 10.409 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.714 11.970 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.318 10.984 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.353 8.292 -9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.113 8.775 -10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.716 8.307 -9.757 1.00 0.00 H new ATOM 697 N GLY A 49 -3.044 12.866 -10.044 1.00 0.00 N ATOM 698 CA GLY A 49 -2.599 14.145 -9.523 1.00 0.00 C ATOM 699 C GLY A 49 -3.231 15.318 -10.249 1.00 0.00 C ATOM 700 O GLY A 49 -2.531 16.149 -10.827 1.00 0.00 O ATOM 0 H GLY A 49 -2.399 12.423 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.840 14.206 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.514 14.211 -9.607 1.00 0.00 H new ATOM 704 N SER A 50 -4.557 15.385 -10.220 1.00 0.00 N ATOM 705 CA SER A 50 -5.284 16.463 -10.880 1.00 0.00 C ATOM 706 C SER A 50 -6.519 16.859 -10.076 1.00 0.00 C ATOM 707 O SER A 50 -7.522 17.299 -10.637 1.00 0.00 O ATOM 708 CB SER A 50 -5.692 16.039 -12.294 1.00 0.00 C ATOM 709 OG SER A 50 -5.330 17.026 -13.245 1.00 0.00 O ATOM 0 H SER A 50 -5.151 14.705 -9.746 1.00 0.00 H new ATOM 0 HA SER A 50 -4.624 17.328 -10.944 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.213 15.093 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.768 15.871 -12.331 1.00 0.00 H new ATOM 0 HG SER A 50 -5.599 16.732 -14.140 1.00 0.00 H new ATOM 715 N GLU A 51 -6.437 16.702 -8.759 1.00 0.00 N ATOM 716 CA GLU A 51 -7.546 17.044 -7.876 1.00 0.00 C ATOM 717 C GLU A 51 -7.044 17.368 -6.473 1.00 0.00 C ATOM 718 O GLU A 51 -7.089 16.527 -5.577 1.00 0.00 O ATOM 719 CB GLU A 51 -8.554 15.895 -7.819 1.00 0.00 C ATOM 720 CG GLU A 51 -9.999 16.358 -7.725 1.00 0.00 C ATOM 721 CD GLU A 51 -10.527 16.328 -6.304 1.00 0.00 C ATOM 722 OE1 GLU A 51 -10.103 15.443 -5.531 1.00 0.00 O ATOM 723 OE2 GLU A 51 -11.366 17.190 -5.963 1.00 0.00 O ATOM 0 H GLU A 51 -5.613 16.340 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.039 17.929 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.437 15.275 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.326 15.265 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.079 17.372 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.622 15.723 -8.354 1.00 0.00 H new ATOM 730 N TRP A 52 -6.563 18.594 -6.292 1.00 0.00 N ATOM 731 CA TRP A 52 -6.050 19.033 -5.000 1.00 0.00 C ATOM 732 C TRP A 52 -4.852 18.180 -4.572 1.00 0.00 C ATOM 733 O TRP A 52 -3.713 18.480 -4.932 1.00 0.00 O ATOM 734 CB TRP A 52 -7.158 18.981 -3.943 1.00 0.00 C ATOM 735 CG TRP A 52 -8.233 20.005 -4.150 1.00 0.00 C ATOM 736 CD1 TRP A 52 -8.393 20.823 -5.234 1.00 0.00 C ATOM 737 CD2 TRP A 52 -9.301 20.320 -3.250 1.00 0.00 C ATOM 738 NE1 TRP A 52 -9.494 21.624 -5.061 1.00 0.00 N ATOM 739 CE2 TRP A 52 -10.068 21.336 -3.851 1.00 0.00 C ATOM 740 CE3 TRP A 52 -9.684 19.842 -1.993 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -11.195 21.880 -3.238 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -10.801 20.382 -1.386 1.00 0.00 C ATOM 743 CH2 TRP A 52 -11.546 21.393 -2.010 1.00 0.00 C ATOM 0 H TRP A 52 -6.518 19.302 -7.025 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.711 20.065 -5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -7.608 17.988 -3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -6.715 19.125 -2.957 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.747 20.837 -6.100 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -9.830 22.321 -5.726 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -9.116 19.064 -1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -11.771 22.659 -3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -11.106 20.020 -0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.415 21.795 -1.510 1.00 0.00 H new ATOM 754 N ARG A 53 -5.111 17.117 -3.808 1.00 0.00 N ATOM 755 CA ARG A 53 -4.050 16.224 -3.341 1.00 0.00 C ATOM 756 C ARG A 53 -2.840 17.011 -2.839 1.00 0.00 C ATOM 757 O ARG A 53 -1.697 16.666 -3.137 1.00 0.00 O ATOM 758 CB ARG A 53 -3.627 15.273 -4.461 1.00 0.00 C ATOM 759 CG ARG A 53 -3.207 13.898 -3.965 1.00 0.00 C ATOM 760 CD ARG A 53 -1.698 13.715 -4.040 1.00 0.00 C ATOM 761 NE ARG A 53 -1.276 12.427 -3.493 1.00 0.00 N ATOM 762 CZ ARG A 53 -1.144 12.181 -2.192 1.00 0.00 C ATOM 763 NH1 ARG A 53 -1.400 13.129 -1.300 1.00 0.00 N ATOM 764 NH2 ARG A 53 -0.752 10.983 -1.780 1.00 0.00 N ATOM 0 H ARG A 53 -6.047 16.854 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.446 15.644 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.454 15.160 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.800 15.720 -5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.540 13.764 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.698 13.129 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.374 13.792 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.207 14.520 -3.493 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.071 11.672 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.700 14.053 -1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.297 12.934 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.552 10.250 -2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.651 10.795 -0.783 1.00 0.00 H new ATOM 778 N THR A 54 -3.100 18.070 -2.079 1.00 0.00 N ATOM 779 CA THR A 54 -2.031 18.904 -1.541 1.00 0.00 C ATOM 780 C THR A 54 -1.876 18.694 -0.038 1.00 0.00 C ATOM 781 O THR A 54 -2.565 17.865 0.559 1.00 0.00 O ATOM 782 CB THR A 54 -2.310 20.379 -1.836 1.00 0.00 C ATOM 783 OG1 THR A 54 -3.188 20.513 -2.938 1.00 0.00 O ATOM 784 CG2 THR A 54 -1.059 21.172 -2.145 1.00 0.00 C ATOM 0 H THR A 54 -4.040 18.371 -1.822 1.00 0.00 H new ATOM 0 HA THR A 54 -1.099 18.612 -2.026 1.00 0.00 H new ATOM 0 HB THR A 54 -2.758 20.777 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.355 21.463 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.326 22.210 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.381 21.130 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.567 20.749 -3.021 1.00 0.00 H new ATOM 792 N PHE A 55 -0.967 19.451 0.567 1.00 0.00 N ATOM 793 CA PHE A 55 -0.720 19.350 2.001 1.00 0.00 C ATOM 794 C PHE A 55 -1.426 20.473 2.755 1.00 0.00 C ATOM 795 O PHE A 55 -0.898 21.008 3.729 1.00 0.00 O ATOM 796 CB PHE A 55 0.784 19.397 2.285 1.00 0.00 C ATOM 797 CG PHE A 55 1.502 20.484 1.538 1.00 0.00 C ATOM 798 CD1 PHE A 55 1.486 21.790 2.003 1.00 0.00 C ATOM 799 CD2 PHE A 55 2.195 20.200 0.371 1.00 0.00 C ATOM 800 CE1 PHE A 55 2.147 22.791 1.318 1.00 0.00 C ATOM 801 CE2 PHE A 55 2.857 21.199 -0.318 1.00 0.00 C ATOM 802 CZ PHE A 55 2.832 22.496 0.156 1.00 0.00 C ATOM 0 H PHE A 55 -0.389 20.141 0.087 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.119 18.397 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.939 19.539 3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.225 18.435 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.951 22.027 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.218 19.187 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.128 23.804 1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.393 20.966 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.347 23.278 -0.381 1.00 0.00 H new ATOM 812 N SER A 56 -2.624 20.824 2.297 1.00 0.00 N ATOM 813 CA SER A 56 -3.403 21.882 2.926 1.00 0.00 C ATOM 814 C SER A 56 -2.660 23.214 2.867 1.00 0.00 C ATOM 815 O SER A 56 -1.577 23.307 2.292 1.00 0.00 O ATOM 816 CB SER A 56 -3.712 21.522 4.381 1.00 0.00 C ATOM 817 OG SER A 56 -4.442 20.311 4.463 1.00 0.00 O ATOM 0 H SER A 56 -3.075 20.390 1.492 1.00 0.00 H new ATOM 0 HA SER A 56 -4.339 21.984 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.782 21.428 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.283 22.326 4.844 1.00 0.00 H new ATOM 0 HG SER A 56 -4.625 20.102 5.403 1.00 0.00 H new ATOM 823 N ASN A 57 -3.251 24.243 3.466 1.00 0.00 N ATOM 824 CA ASN A 57 -2.646 25.569 3.481 1.00 0.00 C ATOM 825 C ASN A 57 -2.401 26.039 4.912 1.00 0.00 C ATOM 826 O ASN A 57 -2.602 25.288 5.865 1.00 0.00 O ATOM 827 CB ASN A 57 -3.543 26.570 2.749 1.00 0.00 C ATOM 828 CG ASN A 57 -2.747 27.581 1.948 1.00 0.00 C ATOM 829 OD1 ASN A 57 -1.624 27.310 1.523 1.00 0.00 O ATOM 830 ND2 ASN A 57 -3.326 28.758 1.738 1.00 0.00 N ATOM 0 H ASN A 57 -4.148 24.183 3.947 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.686 25.509 2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.216 26.031 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.165 27.094 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.838 29.479 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.259 28.941 2.108 1.00 0.00 H new ATOM 837 N ASP A 58 -1.964 27.288 5.053 1.00 0.00 N ATOM 838 CA ASP A 58 -1.691 27.858 6.366 1.00 0.00 C ATOM 839 C ASP A 58 -2.604 29.048 6.643 1.00 0.00 C ATOM 840 O ASP A 58 -3.125 29.199 7.748 1.00 0.00 O ATOM 841 CB ASP A 58 -0.227 28.290 6.463 1.00 0.00 C ATOM 842 CG ASP A 58 0.150 28.746 7.859 1.00 0.00 C ATOM 843 OD1 ASP A 58 0.502 27.882 8.690 1.00 0.00 O ATOM 844 OD2 ASP A 58 0.095 29.965 8.121 1.00 0.00 O ATOM 0 H ASP A 58 -1.792 27.923 4.273 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.887 27.091 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.414 27.459 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.042 29.100 5.757 1.00 0.00 H new ATOM 849 N LYS A 59 -2.794 29.890 5.634 1.00 0.00 N ATOM 850 CA LYS A 59 -3.645 31.066 5.768 1.00 0.00 C ATOM 851 C LYS A 59 -5.072 30.759 5.327 1.00 0.00 C ATOM 852 O LYS A 59 -5.316 29.622 4.869 1.00 0.00 O ATOM 853 CB LYS A 59 -3.079 32.227 4.946 1.00 0.00 C ATOM 854 CG LYS A 59 -2.325 33.251 5.777 1.00 0.00 C ATOM 855 CD LYS A 59 -1.083 33.751 5.058 1.00 0.00 C ATOM 856 CE LYS A 59 0.035 32.720 5.094 1.00 0.00 C ATOM 857 NZ LYS A 59 0.197 32.031 3.783 1.00 0.00 N ATOM 0 H LYS A 59 -2.370 29.780 4.713 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.665 31.352 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.411 31.829 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.897 32.725 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.980 34.093 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.040 32.807 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.330 33.985 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.741 34.677 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.971 33.208 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.176 31.982 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.187 31.736 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.420 31.194 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.064 32.681 3.014 1.00 0.00 H new TER 871 LYS A 59