USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.0642 (180deg=-0.141) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.15) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0921 K(o=0.092,f=-0.86) USER MOD Single : A 29 CYS SG : rot -78:sc= -0.534 USER MOD Single : A 31 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.757 K(o=0.76,f=-5.4!) USER MOD Single : A 33 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.077) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.53! K(o=-3.5!,f=-0.26) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.051 -7.123 12.421 1.00 0.00 N ATOM 2 CA MET A 1 20.706 -6.501 12.387 1.00 0.00 C ATOM 3 C MET A 1 20.462 -5.766 11.069 1.00 0.00 C ATOM 4 O MET A 1 19.475 -5.041 10.933 1.00 0.00 O ATOM 5 CB MET A 1 20.542 -5.523 13.556 1.00 0.00 C ATOM 6 CG MET A 1 21.508 -4.344 13.518 1.00 0.00 C ATOM 7 SD MET A 1 21.258 -3.195 14.885 1.00 0.00 S ATOM 8 CE MET A 1 22.558 -2.003 14.568 1.00 0.00 C ATOM 0 H1 MET A 1 22.224 -7.526 13.364 1.00 0.00 H new ATOM 0 H2 MET A 1 22.102 -7.878 11.708 1.00 0.00 H new ATOM 0 H3 MET A 1 22.772 -6.402 12.215 1.00 0.00 H new ATOM 0 HA MET A 1 19.972 -7.302 12.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.521 -5.143 13.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.682 -6.064 14.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.532 -4.717 13.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.388 -3.811 12.575 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.533 -1.226 15.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.525 -2.505 14.592 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.407 -1.552 13.587 1.00 0.00 H new ATOM 20 N LYS A 2 21.340 -5.964 10.092 1.00 0.00 N ATOM 21 CA LYS A 2 21.251 -5.214 8.848 1.00 0.00 C ATOM 22 C LYS A 2 20.346 -5.904 7.833 1.00 0.00 C ATOM 23 O LYS A 2 20.794 -6.777 7.084 1.00 0.00 O ATOM 24 CB LYS A 2 22.637 -4.988 8.241 1.00 0.00 C ATOM 25 CG LYS A 2 22.598 -4.164 6.965 1.00 0.00 C ATOM 26 CD LYS A 2 23.984 -3.940 6.395 1.00 0.00 C ATOM 27 CE LYS A 2 23.931 -3.032 5.180 1.00 0.00 C ATOM 28 NZ LYS A 2 25.284 -2.780 4.616 1.00 0.00 N ATOM 0 H LYS A 2 22.112 -6.629 10.137 1.00 0.00 H new ATOM 0 HA LYS A 2 20.811 -4.247 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.271 -4.486 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.097 -5.953 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.978 -4.670 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.129 -3.201 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.627 -3.498 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.427 -4.897 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.298 -3.484 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.470 -2.083 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.204 -2.156 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.881 -2.325 5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.714 -3.682 4.329 1.00 0.00 H new ATOM 42 N ARG A 3 19.069 -5.522 7.858 1.00 0.00 N ATOM 43 CA ARG A 3 18.092 -5.892 6.817 1.00 0.00 C ATOM 44 C ARG A 3 16.671 -5.488 7.225 1.00 0.00 C ATOM 45 O ARG A 3 15.705 -5.829 6.542 1.00 0.00 O ATOM 46 CB ARG A 3 18.103 -7.399 6.510 1.00 0.00 C ATOM 47 CG ARG A 3 17.307 -8.249 7.491 1.00 0.00 C ATOM 48 CD ARG A 3 17.096 -9.653 6.953 1.00 0.00 C ATOM 49 NE ARG A 3 16.072 -10.385 7.702 1.00 0.00 N ATOM 50 CZ ARG A 3 15.263 -11.296 7.157 1.00 0.00 C ATOM 51 NH1 ARG A 3 15.373 -11.599 5.869 1.00 0.00 N ATOM 52 NH2 ARG A 3 14.340 -11.902 7.894 1.00 0.00 N ATOM 0 H ARG A 3 18.675 -4.945 8.601 1.00 0.00 H new ATOM 0 HA ARG A 3 18.391 -5.351 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 3 17.705 -7.556 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.136 -7.748 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 3 17.833 -8.297 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 3 16.341 -7.781 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.806 -9.598 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 3 18.037 -10.202 6.996 1.00 0.00 H new ATOM 0 HE ARG A 3 15.971 -10.187 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.077 -11.135 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.754 -12.295 5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 3 14.246 -11.672 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.725 -12.597 7.471 1.00 0.00 H new ATOM 66 N GLN A 4 16.541 -4.713 8.301 1.00 0.00 N ATOM 67 CA GLN A 4 15.244 -4.514 8.930 1.00 0.00 C ATOM 68 C GLN A 4 14.420 -3.458 8.210 1.00 0.00 C ATOM 69 O GLN A 4 13.335 -3.092 8.660 1.00 0.00 O ATOM 70 CB GLN A 4 15.404 -4.143 10.400 1.00 0.00 C ATOM 71 CG GLN A 4 16.058 -5.236 11.230 1.00 0.00 C ATOM 72 CD GLN A 4 15.815 -5.072 12.717 1.00 0.00 C ATOM 73 OE1 GLN A 4 14.848 -5.605 13.261 1.00 0.00 O ATOM 74 NE2 GLN A 4 16.680 -4.324 13.384 1.00 0.00 N ATOM 0 H GLN A 4 17.312 -4.218 8.749 1.00 0.00 H new ATOM 0 HA GLN A 4 14.707 -5.460 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 4 16.001 -3.234 10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.424 -3.916 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.677 -6.206 10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 4 17.131 -5.236 11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.469 -3.899 12.897 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.557 -4.172 14.385 1.00 0.00 H new ATOM 83 N LYS A 5 14.928 -2.961 7.092 1.00 0.00 N ATOM 84 CA LYS A 5 14.127 -2.107 6.241 1.00 0.00 C ATOM 85 C LYS A 5 12.990 -2.937 5.658 1.00 0.00 C ATOM 86 O LYS A 5 11.901 -2.434 5.415 1.00 0.00 O ATOM 87 CB LYS A 5 14.964 -1.478 5.123 1.00 0.00 C ATOM 88 CG LYS A 5 15.473 -2.477 4.101 1.00 0.00 C ATOM 89 CD LYS A 5 15.829 -1.785 2.794 1.00 0.00 C ATOM 90 CE LYS A 5 16.112 -2.783 1.687 1.00 0.00 C ATOM 91 NZ LYS A 5 16.345 -2.103 0.385 1.00 0.00 N ATOM 0 H LYS A 5 15.877 -3.133 6.760 1.00 0.00 H new ATOM 0 HA LYS A 5 13.726 -1.286 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.364 -0.725 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.815 -0.961 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.350 -2.991 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.713 -3.237 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.010 -1.132 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.703 -1.151 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.986 -3.379 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.272 -3.472 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.216 -2.784 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.668 -1.321 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.315 -1.728 0.358 1.00 0.00 H new ATOM 105 N ARG A 6 13.253 -4.235 5.477 1.00 0.00 N ATOM 106 CA ARG A 6 12.241 -5.169 5.003 1.00 0.00 C ATOM 107 C ARG A 6 11.080 -5.227 5.988 1.00 0.00 C ATOM 108 O ARG A 6 9.921 -5.344 5.592 1.00 0.00 O ATOM 109 CB ARG A 6 12.863 -6.560 4.793 1.00 0.00 C ATOM 110 CG ARG A 6 11.849 -7.680 4.582 1.00 0.00 C ATOM 111 CD ARG A 6 11.505 -8.376 5.893 1.00 0.00 C ATOM 112 NE ARG A 6 10.387 -9.308 5.752 1.00 0.00 N ATOM 113 CZ ARG A 6 10.414 -10.577 6.157 1.00 0.00 C ATOM 114 NH1 ARG A 6 11.511 -11.081 6.713 1.00 0.00 N ATOM 115 NH2 ARG A 6 9.333 -11.333 6.015 1.00 0.00 N ATOM 0 H ARG A 6 14.164 -4.659 5.654 1.00 0.00 H new ATOM 0 HA ARG A 6 11.854 -4.823 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.527 -6.521 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.479 -6.803 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.942 -7.272 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.251 -8.408 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.380 -8.915 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.257 -7.627 6.645 1.00 0.00 H new ATOM 0 HE ARG A 6 9.531 -8.964 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.338 -10.496 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.526 -12.053 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.488 -10.942 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.347 -12.305 6.323 1.00 0.00 H new ATOM 129 N ASP A 7 11.404 -5.128 7.269 1.00 0.00 N ATOM 130 CA ASP A 7 10.402 -5.141 8.328 1.00 0.00 C ATOM 131 C ASP A 7 9.398 -4.018 8.129 1.00 0.00 C ATOM 132 O ASP A 7 8.198 -4.261 8.018 1.00 0.00 O ATOM 133 CB ASP A 7 11.071 -5.000 9.696 1.00 0.00 C ATOM 134 CG ASP A 7 11.868 -6.224 10.085 1.00 0.00 C ATOM 135 OD1 ASP A 7 12.854 -6.546 9.388 1.00 0.00 O ATOM 136 OD2 ASP A 7 11.507 -6.874 11.088 1.00 0.00 O ATOM 0 H ASP A 7 12.363 -5.037 7.604 1.00 0.00 H new ATOM 0 HA ASP A 7 9.876 -6.094 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.729 -4.131 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.308 -4.813 10.452 1.00 0.00 H new ATOM 141 N ARG A 8 9.903 -2.789 8.048 1.00 0.00 N ATOM 142 CA ARG A 8 9.043 -1.620 7.887 1.00 0.00 C ATOM 143 C ARG A 8 8.294 -1.687 6.554 1.00 0.00 C ATOM 144 O ARG A 8 7.189 -1.163 6.425 1.00 0.00 O ATOM 145 CB ARG A 8 9.863 -0.321 7.969 1.00 0.00 C ATOM 146 CG ARG A 8 10.702 -0.042 6.729 1.00 0.00 C ATOM 147 CD ARG A 8 11.513 1.239 6.854 1.00 0.00 C ATOM 148 NE ARG A 8 12.670 1.088 7.739 1.00 0.00 N ATOM 149 CZ ARG A 8 13.818 1.745 7.567 1.00 0.00 C ATOM 150 NH1 ARG A 8 13.959 2.584 6.547 1.00 0.00 N ATOM 151 NH2 ARG A 8 14.827 1.563 8.404 1.00 0.00 N ATOM 0 H ARG A 8 10.900 -2.578 8.091 1.00 0.00 H new ATOM 0 HA ARG A 8 8.316 -1.620 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.184 0.516 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.521 -0.372 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.376 -0.880 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.048 0.028 5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.854 1.547 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.872 2.035 7.232 1.00 0.00 H new ATOM 0 HE ARG A 8 12.594 0.447 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.189 2.727 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.838 3.086 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.730 0.917 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.702 2.069 8.266 1.00 0.00 H new ATOM 165 N LEU A 9 8.897 -2.353 5.576 1.00 0.00 N ATOM 166 CA LEU A 9 8.312 -2.476 4.247 1.00 0.00 C ATOM 167 C LEU A 9 7.198 -3.512 4.222 1.00 0.00 C ATOM 168 O LEU A 9 6.193 -3.331 3.539 1.00 0.00 O ATOM 169 CB LEU A 9 9.391 -2.847 3.235 1.00 0.00 C ATOM 170 CG LEU A 9 10.431 -1.761 2.982 1.00 0.00 C ATOM 171 CD1 LEU A 9 11.545 -2.283 2.088 1.00 0.00 C ATOM 172 CD2 LEU A 9 9.774 -0.543 2.361 1.00 0.00 C ATOM 0 H LEU A 9 9.798 -2.819 5.681 1.00 0.00 H new ATOM 0 HA LEU A 9 7.879 -1.512 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.901 -3.745 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.911 -3.098 2.289 1.00 0.00 H new ATOM 0 HG LEU A 9 10.870 -1.471 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.277 -1.493 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.031 -3.131 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.127 -2.600 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.526 0.226 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.312 -0.822 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.011 -0.156 3.037 1.00 0.00 H new ATOM 184 N GLU A 10 7.374 -4.592 4.965 1.00 0.00 N ATOM 185 CA GLU A 10 6.352 -5.625 5.061 1.00 0.00 C ATOM 186 C GLU A 10 5.158 -5.090 5.844 1.00 0.00 C ATOM 187 O GLU A 10 4.010 -5.486 5.621 1.00 0.00 O ATOM 188 CB GLU A 10 6.930 -6.877 5.723 1.00 0.00 C ATOM 189 CG GLU A 10 5.992 -8.067 5.708 1.00 0.00 C ATOM 190 CD GLU A 10 6.685 -9.344 6.123 1.00 0.00 C ATOM 191 OE1 GLU A 10 6.819 -9.585 7.340 1.00 0.00 O ATOM 192 OE2 GLU A 10 7.114 -10.107 5.229 1.00 0.00 O ATOM 0 H GLU A 10 8.215 -4.778 5.511 1.00 0.00 H new ATOM 0 HA GLU A 10 6.015 -5.899 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.856 -7.150 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.189 -6.644 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.154 -7.876 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.578 -8.189 4.707 1.00 0.00 H new ATOM 199 N ARG A 11 5.444 -4.157 6.739 1.00 0.00 N ATOM 200 CA ARG A 11 4.408 -3.459 7.482 1.00 0.00 C ATOM 201 C ARG A 11 3.713 -2.495 6.540 1.00 0.00 C ATOM 202 O ARG A 11 2.494 -2.373 6.545 1.00 0.00 O ATOM 203 CB ARG A 11 5.000 -2.696 8.672 1.00 0.00 C ATOM 204 CG ARG A 11 5.760 -3.575 9.649 1.00 0.00 C ATOM 205 CD ARG A 11 6.374 -2.754 10.768 1.00 0.00 C ATOM 206 NE ARG A 11 7.291 -3.545 11.586 1.00 0.00 N ATOM 207 CZ ARG A 11 7.931 -3.075 12.654 1.00 0.00 C ATOM 208 NH1 ARG A 11 7.715 -1.832 13.067 1.00 0.00 N ATOM 209 NH2 ARG A 11 8.778 -3.858 13.309 1.00 0.00 N ATOM 0 H ARG A 11 6.394 -3.864 6.969 1.00 0.00 H new ATOM 0 HA ARG A 11 3.697 -4.184 7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.670 -1.922 8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.194 -2.190 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.086 -4.321 10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.544 -4.116 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.908 -1.904 10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.582 -2.350 11.398 1.00 0.00 H new ATOM 0 HE ARG A 11 7.450 -4.517 11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.057 -1.235 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.207 -1.474 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.936 -4.815 12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.271 -3.503 14.128 1.00 0.00 H new ATOM 223 N ALA A 12 4.516 -1.832 5.713 1.00 0.00 N ATOM 224 CA ALA A 12 4.012 -0.952 4.673 1.00 0.00 C ATOM 225 C ALA A 12 3.182 -1.725 3.655 1.00 0.00 C ATOM 226 O ALA A 12 2.274 -1.175 3.048 1.00 0.00 O ATOM 227 CB ALA A 12 5.163 -0.243 3.974 1.00 0.00 C ATOM 0 H ALA A 12 5.534 -1.892 5.748 1.00 0.00 H new ATOM 0 HA ALA A 12 3.370 -0.208 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.769 0.413 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.720 0.349 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.825 -0.982 3.523 1.00 0.00 H new ATOM 233 N GLN A 13 3.501 -3.000 3.469 1.00 0.00 N ATOM 234 CA GLN A 13 2.742 -3.840 2.548 1.00 0.00 C ATOM 235 C GLN A 13 1.344 -4.083 3.111 1.00 0.00 C ATOM 236 O GLN A 13 0.344 -4.005 2.396 1.00 0.00 O ATOM 237 CB GLN A 13 3.465 -5.171 2.298 1.00 0.00 C ATOM 238 CG GLN A 13 2.737 -6.082 1.322 1.00 0.00 C ATOM 239 CD GLN A 13 3.513 -7.345 1.002 1.00 0.00 C ATOM 240 OE1 GLN A 13 4.307 -7.378 0.064 1.00 0.00 O ATOM 241 NE2 GLN A 13 3.291 -8.396 1.777 1.00 0.00 N ATOM 0 H GLN A 13 4.273 -3.473 3.939 1.00 0.00 H new ATOM 0 HA GLN A 13 2.656 -3.325 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.465 -4.966 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.588 -5.693 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.768 -6.353 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.544 -5.536 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.624 -8.331 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.787 -9.271 1.605 1.00 0.00 H new ATOM 250 N SER A 14 1.289 -4.347 4.408 1.00 0.00 N ATOM 251 CA SER A 14 0.030 -4.542 5.108 1.00 0.00 C ATOM 252 C SER A 14 -0.709 -3.211 5.233 1.00 0.00 C ATOM 253 O SER A 14 -1.921 -3.123 5.000 1.00 0.00 O ATOM 254 CB SER A 14 0.304 -5.137 6.492 1.00 0.00 C ATOM 255 OG SER A 14 -0.895 -5.423 7.189 1.00 0.00 O ATOM 0 H SER A 14 2.114 -4.432 5.002 1.00 0.00 H new ATOM 0 HA SER A 14 -0.598 -5.232 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.889 -6.050 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.906 -4.439 7.075 1.00 0.00 H new ATOM 0 HG SER A 14 -0.681 -5.802 8.067 1.00 0.00 H new ATOM 261 N GLN A 15 0.038 -2.177 5.598 1.00 0.00 N ATOM 262 CA GLN A 15 -0.503 -0.837 5.729 1.00 0.00 C ATOM 263 C GLN A 15 -1.039 -0.341 4.394 1.00 0.00 C ATOM 264 O GLN A 15 -2.126 0.225 4.331 1.00 0.00 O ATOM 265 CB GLN A 15 0.571 0.118 6.255 1.00 0.00 C ATOM 266 CG GLN A 15 0.103 1.562 6.374 1.00 0.00 C ATOM 267 CD GLN A 15 -1.229 1.708 7.090 1.00 0.00 C ATOM 268 OE1 GLN A 15 -1.568 0.926 7.983 1.00 0.00 O ATOM 269 NE2 GLN A 15 -1.997 2.707 6.685 1.00 0.00 N ATOM 0 H GLN A 15 1.033 -2.247 5.810 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.328 -0.867 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.904 -0.228 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.435 0.079 5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.859 2.138 6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.020 1.992 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.676 3.329 5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.910 2.855 7.115 1.00 0.00 H new ATOM 278 N GLY A 16 -0.272 -0.571 3.338 1.00 0.00 N ATOM 279 CA GLY A 16 -0.680 -0.177 2.007 1.00 0.00 C ATOM 280 C GLY A 16 -1.997 -0.800 1.611 1.00 0.00 C ATOM 281 O GLY A 16 -2.813 -0.164 0.949 1.00 0.00 O ATOM 0 H GLY A 16 0.638 -1.030 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.764 0.909 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.089 -0.468 1.291 1.00 0.00 H new ATOM 285 N TYR A 17 -2.213 -2.047 2.024 1.00 0.00 N ATOM 286 CA TYR A 17 -3.473 -2.719 1.759 1.00 0.00 C ATOM 287 C TYR A 17 -4.623 -1.923 2.364 1.00 0.00 C ATOM 288 O TYR A 17 -5.576 -1.576 1.672 1.00 0.00 O ATOM 289 CB TYR A 17 -3.459 -4.149 2.310 1.00 0.00 C ATOM 290 CG TYR A 17 -4.700 -4.939 1.959 1.00 0.00 C ATOM 291 CD1 TYR A 17 -4.827 -5.548 0.718 1.00 0.00 C ATOM 292 CD2 TYR A 17 -5.752 -5.063 2.862 1.00 0.00 C ATOM 293 CE1 TYR A 17 -5.964 -6.260 0.386 1.00 0.00 C ATOM 294 CE2 TYR A 17 -6.892 -5.770 2.537 1.00 0.00 C ATOM 295 CZ TYR A 17 -6.997 -6.366 1.300 1.00 0.00 C ATOM 296 OH TYR A 17 -8.140 -7.061 0.976 1.00 0.00 O ATOM 0 H TYR A 17 -1.533 -2.606 2.540 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.613 -2.779 0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.583 -4.671 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.355 -4.112 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.024 -5.464 0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.675 -4.598 3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.046 -6.731 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.699 -5.855 3.250 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.763 -7.037 1.732 1.00 0.00 H new ATOM 306 N LYS A 18 -4.520 -1.605 3.650 1.00 0.00 N ATOM 307 CA LYS A 18 -5.545 -0.801 4.310 1.00 0.00 C ATOM 308 C LYS A 18 -5.575 0.610 3.727 1.00 0.00 C ATOM 309 O LYS A 18 -6.622 1.247 3.671 1.00 0.00 O ATOM 310 CB LYS A 18 -5.309 -0.729 5.819 1.00 0.00 C ATOM 311 CG LYS A 18 -6.365 0.081 6.559 1.00 0.00 C ATOM 312 CD LYS A 18 -5.981 0.291 8.015 1.00 0.00 C ATOM 313 CE LYS A 18 -6.940 1.239 8.715 1.00 0.00 C ATOM 314 NZ LYS A 18 -6.655 1.343 10.172 1.00 0.00 N ATOM 0 H LYS A 18 -3.746 -1.888 4.252 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.506 -1.284 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.288 -1.741 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.329 -0.290 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.493 1.047 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.325 -0.433 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.975 -0.668 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.968 0.690 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.870 2.227 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.963 0.893 8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.331 1.999 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.747 0.405 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.687 1.698 10.312 1.00 0.00 H new ATOM 328 N ALA A 19 -4.422 1.089 3.289 1.00 0.00 N ATOM 329 CA ALA A 19 -4.316 2.416 2.701 1.00 0.00 C ATOM 330 C ALA A 19 -5.075 2.499 1.380 1.00 0.00 C ATOM 331 O ALA A 19 -5.455 3.580 0.946 1.00 0.00 O ATOM 332 CB ALA A 19 -2.859 2.796 2.504 1.00 0.00 C ATOM 0 H ALA A 19 -3.541 0.576 3.330 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.771 3.126 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.799 3.791 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.349 2.794 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.382 2.076 1.840 1.00 0.00 H new ATOM 338 N GLY A 20 -5.296 1.356 0.751 1.00 0.00 N ATOM 339 CA GLY A 20 -6.072 1.320 -0.470 1.00 0.00 C ATOM 340 C GLY A 20 -7.526 1.675 -0.235 1.00 0.00 C ATOM 341 O GLY A 20 -8.191 2.232 -1.103 1.00 0.00 O ATOM 0 H GLY A 20 -4.951 0.449 1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.642 2.014 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.009 0.324 -0.909 1.00 0.00 H new ATOM 345 N LEU A 21 -8.018 1.338 0.945 1.00 0.00 N ATOM 346 CA LEU A 21 -9.389 1.649 1.319 1.00 0.00 C ATOM 347 C LEU A 21 -9.444 2.888 2.201 1.00 0.00 C ATOM 348 O LEU A 21 -10.221 3.808 1.956 1.00 0.00 O ATOM 349 CB LEU A 21 -10.040 0.470 2.058 1.00 0.00 C ATOM 350 CG LEU A 21 -9.109 -0.387 2.920 1.00 0.00 C ATOM 351 CD1 LEU A 21 -9.822 -0.829 4.187 1.00 0.00 C ATOM 352 CD2 LEU A 21 -8.633 -1.604 2.141 1.00 0.00 C ATOM 0 H LEU A 21 -7.487 0.847 1.664 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.941 1.840 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.833 0.861 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.515 -0.177 1.320 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.242 0.215 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.148 -1.438 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.128 0.048 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.702 -1.415 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.972 -2.202 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.493 -2.205 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.093 -1.278 1.252 1.00 0.00 H new ATOM 364 N ASN A 22 -8.610 2.899 3.222 1.00 0.00 N ATOM 365 CA ASN A 22 -8.683 3.905 4.267 1.00 0.00 C ATOM 366 C ASN A 22 -7.636 4.985 4.078 1.00 0.00 C ATOM 367 O ASN A 22 -7.806 6.114 4.529 1.00 0.00 O ATOM 368 CB ASN A 22 -8.482 3.225 5.609 1.00 0.00 C ATOM 369 CG ASN A 22 -9.111 3.979 6.761 1.00 0.00 C ATOM 370 OD1 ASN A 22 -10.292 3.805 7.057 1.00 0.00 O ATOM 371 ND2 ASN A 22 -8.322 4.797 7.438 1.00 0.00 N ATOM 0 H ASN A 22 -7.865 2.215 3.352 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.661 4.385 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.904 2.221 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.414 3.114 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.688 5.312 8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.348 4.913 7.159 1.00 0.00 H new ATOM 378 N GLY A 23 -6.548 4.639 3.406 1.00 0.00 N ATOM 379 CA GLY A 23 -5.483 5.601 3.204 1.00 0.00 C ATOM 380 C GLY A 23 -5.798 6.511 2.048 1.00 0.00 C ATOM 381 O GLY A 23 -5.210 7.590 1.912 1.00 0.00 O ATOM 0 H GLY A 23 -6.383 3.718 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.343 6.191 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.545 5.078 3.016 1.00 0.00 H new ATOM 385 N ARG A 24 -6.778 6.074 1.256 1.00 0.00 N ATOM 386 CA ARG A 24 -7.235 6.765 0.066 1.00 0.00 C ATOM 387 C ARG A 24 -6.139 6.974 -0.987 1.00 0.00 C ATOM 388 O ARG A 24 -6.151 6.341 -2.042 1.00 0.00 O ATOM 389 CB ARG A 24 -7.859 8.087 0.460 1.00 0.00 C ATOM 390 CG ARG A 24 -9.065 7.938 1.370 1.00 0.00 C ATOM 391 CD ARG A 24 -9.586 9.286 1.843 1.00 0.00 C ATOM 392 NE ARG A 24 -9.789 10.235 0.746 1.00 0.00 N ATOM 393 CZ ARG A 24 -10.883 10.282 -0.018 1.00 0.00 C ATOM 394 NH1 ARG A 24 -11.810 9.335 0.074 1.00 0.00 N ATOM 395 NH2 ARG A 24 -11.036 11.261 -0.899 1.00 0.00 N ATOM 0 H ARG A 24 -7.284 5.207 1.436 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.978 6.124 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.109 8.699 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.157 8.622 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.857 7.408 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.796 7.329 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.529 9.141 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.882 9.711 2.559 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.045 10.905 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.689 8.565 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.643 9.378 -0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.318 11.979 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.872 11.296 -1.482 1.00 0.00 H new ATOM 409 N SER A 25 -5.199 7.849 -0.694 1.00 0.00 N ATOM 410 CA SER A 25 -4.213 8.280 -1.673 1.00 0.00 C ATOM 411 C SER A 25 -2.834 7.680 -1.404 1.00 0.00 C ATOM 412 O SER A 25 -2.547 7.208 -0.303 1.00 0.00 O ATOM 413 CB SER A 25 -4.111 9.801 -1.647 1.00 0.00 C ATOM 414 OG SER A 25 -5.386 10.407 -1.821 1.00 0.00 O ATOM 0 H SER A 25 -5.094 8.282 0.224 1.00 0.00 H new ATOM 0 HA SER A 25 -4.543 7.931 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.679 10.123 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.436 10.136 -2.435 1.00 0.00 H new ATOM 0 HG SER A 25 -5.291 11.382 -1.798 1.00 0.00 H new ATOM 420 N GLN A 26 -1.972 7.738 -2.419 1.00 0.00 N ATOM 421 CA GLN A 26 -0.587 7.287 -2.300 1.00 0.00 C ATOM 422 C GLN A 26 0.226 8.301 -1.509 1.00 0.00 C ATOM 423 O GLN A 26 1.388 8.068 -1.173 1.00 0.00 O ATOM 424 CB GLN A 26 0.036 7.131 -3.676 1.00 0.00 C ATOM 425 CG GLN A 26 -0.885 6.479 -4.690 1.00 0.00 C ATOM 426 CD GLN A 26 -0.270 6.406 -6.071 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.542 7.253 -6.450 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.651 5.398 -6.837 1.00 0.00 N ATOM 0 H GLN A 26 -2.213 8.097 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.584 6.326 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.332 8.113 -4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.945 6.536 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.135 5.473 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.818 7.040 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.325 4.718 -6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.271 5.301 -7.778 1.00 0.00 H new ATOM 437 N GLU A 27 -0.397 9.440 -1.248 1.00 0.00 N ATOM 438 CA GLU A 27 0.190 10.495 -0.441 1.00 0.00 C ATOM 439 C GLU A 27 0.496 9.982 0.965 1.00 0.00 C ATOM 440 O GLU A 27 1.376 10.495 1.657 1.00 0.00 O ATOM 441 CB GLU A 27 -0.793 11.663 -0.366 1.00 0.00 C ATOM 442 CG GLU A 27 -0.348 12.799 0.531 1.00 0.00 C ATOM 443 CD GLU A 27 -1.480 13.742 0.865 1.00 0.00 C ATOM 444 OE1 GLU A 27 -1.774 14.642 0.056 1.00 0.00 O ATOM 445 OE2 GLU A 27 -2.089 13.585 1.941 1.00 0.00 O ATOM 0 H GLU A 27 -1.331 9.658 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 27 1.124 10.824 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.954 12.052 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.754 11.291 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.066 12.390 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.452 13.354 0.041 1.00 0.00 H new ATOM 452 N ALA A 28 -0.218 8.938 1.357 1.00 0.00 N ATOM 453 CA ALA A 28 -0.155 8.417 2.711 1.00 0.00 C ATOM 454 C ALA A 28 0.969 7.396 2.881 1.00 0.00 C ATOM 455 O ALA A 28 0.858 6.479 3.693 1.00 0.00 O ATOM 456 CB ALA A 28 -1.498 7.793 3.063 1.00 0.00 C ATOM 0 H ALA A 28 -0.856 8.430 0.745 1.00 0.00 H new ATOM 0 HA ALA A 28 0.063 9.243 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.461 7.399 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.280 8.550 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.717 6.983 2.367 1.00 0.00 H new ATOM 462 N CYS A 29 2.056 7.560 2.131 1.00 0.00 N ATOM 463 CA CYS A 29 3.200 6.657 2.232 1.00 0.00 C ATOM 464 C CYS A 29 4.350 7.320 2.996 1.00 0.00 C ATOM 465 O CYS A 29 5.175 8.020 2.411 1.00 0.00 O ATOM 466 CB CYS A 29 3.667 6.225 0.836 1.00 0.00 C ATOM 467 SG CYS A 29 5.094 5.110 0.845 1.00 0.00 S ATOM 0 H CYS A 29 2.169 8.309 1.448 1.00 0.00 H new ATOM 0 HA CYS A 29 2.887 5.771 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.839 5.734 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.918 7.114 0.257 1.00 0.00 H new ATOM 0 HG CYS A 29 6.179 5.796 1.048 1.00 0.00 H new ATOM 473 N PRO A 30 4.394 7.141 4.329 1.00 0.00 N ATOM 474 CA PRO A 30 5.413 7.753 5.184 1.00 0.00 C ATOM 475 C PRO A 30 6.614 6.852 5.515 1.00 0.00 C ATOM 476 O PRO A 30 7.596 7.318 6.093 1.00 0.00 O ATOM 477 CB PRO A 30 4.612 8.011 6.453 1.00 0.00 C ATOM 478 CG PRO A 30 3.693 6.834 6.546 1.00 0.00 C ATOM 479 CD PRO A 30 3.403 6.395 5.129 1.00 0.00 C ATOM 0 HA PRO A 30 5.870 8.618 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.260 8.082 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.057 8.947 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.155 6.027 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.772 7.102 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.520 5.318 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.383 6.639 4.834 1.00 0.00 H new ATOM 487 N TYR A 31 6.542 5.577 5.152 1.00 0.00 N ATOM 488 CA TYR A 31 7.531 4.597 5.615 1.00 0.00 C ATOM 489 C TYR A 31 8.863 4.709 4.879 1.00 0.00 C ATOM 490 O TYR A 31 9.927 4.678 5.498 1.00 0.00 O ATOM 491 CB TYR A 31 6.980 3.177 5.476 1.00 0.00 C ATOM 492 CG TYR A 31 5.804 2.903 6.386 1.00 0.00 C ATOM 493 CD1 TYR A 31 5.999 2.615 7.731 1.00 0.00 C ATOM 494 CD2 TYR A 31 4.501 2.953 5.907 1.00 0.00 C ATOM 495 CE1 TYR A 31 4.931 2.381 8.572 1.00 0.00 C ATOM 496 CE2 TYR A 31 3.428 2.717 6.742 1.00 0.00 C ATOM 497 CZ TYR A 31 3.647 2.435 8.073 1.00 0.00 C ATOM 498 OH TYR A 31 2.583 2.211 8.913 1.00 0.00 O ATOM 0 H TYR A 31 5.818 5.195 4.544 1.00 0.00 H new ATOM 0 HA TYR A 31 7.722 4.818 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.677 3.011 4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.774 2.463 5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.004 2.574 8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.325 3.180 4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.100 2.157 9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.421 2.753 6.354 1.00 0.00 H new ATOM 0 HH TYR A 31 1.927 2.931 8.809 1.00 0.00 H new ATOM 508 N GLN A 32 8.797 4.834 3.570 1.00 0.00 N ATOM 509 CA GLN A 32 9.987 4.888 2.732 1.00 0.00 C ATOM 510 C GLN A 32 9.590 5.513 1.401 1.00 0.00 C ATOM 511 O GLN A 32 8.416 5.823 1.199 1.00 0.00 O ATOM 512 CB GLN A 32 10.541 3.467 2.524 1.00 0.00 C ATOM 513 CG GLN A 32 12.004 3.397 2.107 1.00 0.00 C ATOM 514 CD GLN A 32 12.943 3.823 3.216 1.00 0.00 C ATOM 515 OE1 GLN A 32 12.632 3.681 4.399 1.00 0.00 O ATOM 516 NE2 GLN A 32 14.113 4.314 2.845 1.00 0.00 N ATOM 0 H GLN A 32 7.920 4.901 3.053 1.00 0.00 H new ATOM 0 HA GLN A 32 10.767 5.486 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.416 2.906 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.939 2.967 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.244 2.378 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.162 4.034 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.332 4.416 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.796 4.591 3.550 1.00 0.00 H new ATOM 525 N GLN A 33 10.534 5.717 0.502 1.00 0.00 N ATOM 526 CA GLN A 33 10.192 6.241 -0.806 1.00 0.00 C ATOM 527 C GLN A 33 10.151 5.147 -1.868 1.00 0.00 C ATOM 528 O GLN A 33 9.075 4.722 -2.286 1.00 0.00 O ATOM 529 CB GLN A 33 11.165 7.335 -1.213 1.00 0.00 C ATOM 530 CG GLN A 33 10.828 7.959 -2.554 1.00 0.00 C ATOM 531 CD GLN A 33 9.455 8.604 -2.572 1.00 0.00 C ATOM 532 OE1 GLN A 33 9.302 9.775 -2.239 1.00 0.00 O ATOM 533 NE2 GLN A 33 8.450 7.843 -2.978 1.00 0.00 N ATOM 0 H GLN A 33 11.526 5.532 0.649 1.00 0.00 H new ATOM 0 HA GLN A 33 9.190 6.664 -0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.171 8.112 -0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.172 6.921 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.580 8.708 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.875 7.193 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.620 6.874 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.506 8.226 -3.023 1.00 0.00 H new ATOM 542 N VAL A 34 11.320 4.692 -2.291 1.00 0.00 N ATOM 543 CA VAL A 34 11.421 3.736 -3.385 1.00 0.00 C ATOM 544 C VAL A 34 11.007 2.348 -2.923 1.00 0.00 C ATOM 545 O VAL A 34 10.151 1.692 -3.534 1.00 0.00 O ATOM 546 CB VAL A 34 12.857 3.684 -3.944 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.985 2.600 -5.001 1.00 0.00 C ATOM 548 CG2 VAL A 34 13.256 5.038 -4.514 1.00 0.00 C ATOM 0 H VAL A 34 12.216 4.970 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 34 10.748 4.067 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 34 13.534 3.441 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.006 2.581 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.744 1.632 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.296 2.807 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.272 4.983 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.573 5.310 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.209 5.792 -3.728 1.00 0.00 H new ATOM 558 N ASP A 35 11.594 1.926 -1.815 1.00 0.00 N ATOM 559 CA ASP A 35 11.336 0.600 -1.275 1.00 0.00 C ATOM 560 C ASP A 35 9.871 0.496 -0.889 1.00 0.00 C ATOM 561 O ASP A 35 9.227 -0.535 -1.083 1.00 0.00 O ATOM 562 CB ASP A 35 12.216 0.323 -0.053 1.00 0.00 C ATOM 563 CG ASP A 35 13.702 0.327 -0.357 1.00 0.00 C ATOM 564 OD1 ASP A 35 14.312 1.420 -0.362 1.00 0.00 O ATOM 565 OD2 ASP A 35 14.272 -0.765 -0.560 1.00 0.00 O ATOM 0 H ASP A 35 12.253 2.483 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 35 11.574 -0.141 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.008 1.073 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.943 -0.645 0.368 1.00 0.00 H new ATOM 570 N ALA A 36 9.340 1.593 -0.369 1.00 0.00 N ATOM 571 CA ALA A 36 7.948 1.652 0.031 1.00 0.00 C ATOM 572 C ALA A 36 7.039 1.681 -1.180 1.00 0.00 C ATOM 573 O ALA A 36 5.916 1.218 -1.114 1.00 0.00 O ATOM 574 CB ALA A 36 7.692 2.867 0.893 1.00 0.00 C ATOM 0 H ALA A 36 9.859 2.458 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 36 7.729 0.755 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.641 2.893 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.314 2.816 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.936 3.769 0.332 1.00 0.00 H new ATOM 580 N ARG A 37 7.519 2.220 -2.286 1.00 0.00 N ATOM 581 CA ARG A 37 6.718 2.245 -3.496 1.00 0.00 C ATOM 582 C ARG A 37 6.352 0.823 -3.904 1.00 0.00 C ATOM 583 O ARG A 37 5.178 0.503 -4.077 1.00 0.00 O ATOM 584 CB ARG A 37 7.462 2.950 -4.629 1.00 0.00 C ATOM 585 CG ARG A 37 6.686 2.981 -5.932 1.00 0.00 C ATOM 586 CD ARG A 37 7.394 3.816 -6.980 1.00 0.00 C ATOM 587 NE ARG A 37 6.669 3.818 -8.248 1.00 0.00 N ATOM 588 CZ ARG A 37 6.377 4.913 -8.944 1.00 0.00 C ATOM 589 NH1 ARG A 37 6.716 6.111 -8.484 1.00 0.00 N ATOM 590 NH2 ARG A 37 5.738 4.803 -10.098 1.00 0.00 N ATOM 0 H ARG A 37 8.444 2.640 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 37 5.804 2.804 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.688 3.972 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.416 2.449 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.555 1.964 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.690 3.386 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.500 4.839 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.400 3.427 -7.137 1.00 0.00 H new ATOM 0 HE ARG A 37 6.367 2.920 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.203 6.196 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.489 6.947 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.473 3.883 -10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.511 5.639 -10.637 1.00 0.00 H new ATOM 604 N SER A 38 7.354 -0.039 -3.987 1.00 0.00 N ATOM 605 CA SER A 38 7.136 -1.405 -4.436 1.00 0.00 C ATOM 606 C SER A 38 6.337 -2.202 -3.403 1.00 0.00 C ATOM 607 O SER A 38 5.537 -3.069 -3.758 1.00 0.00 O ATOM 608 CB SER A 38 8.480 -2.075 -4.725 1.00 0.00 C ATOM 609 OG SER A 38 9.213 -1.331 -5.685 1.00 0.00 O ATOM 0 H SER A 38 8.321 0.182 -3.751 1.00 0.00 H new ATOM 0 HA SER A 38 6.550 -1.382 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.057 -2.158 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.316 -3.089 -5.091 1.00 0.00 H new ATOM 0 HG SER A 38 10.071 -1.773 -5.856 1.00 0.00 H new ATOM 615 N TYR A 39 6.537 -1.891 -2.127 1.00 0.00 N ATOM 616 CA TYR A 39 5.844 -2.607 -1.063 1.00 0.00 C ATOM 617 C TYR A 39 4.481 -1.990 -0.741 1.00 0.00 C ATOM 618 O TYR A 39 3.440 -2.620 -0.936 1.00 0.00 O ATOM 619 CB TYR A 39 6.702 -2.663 0.203 1.00 0.00 C ATOM 620 CG TYR A 39 7.770 -3.734 0.177 1.00 0.00 C ATOM 621 CD1 TYR A 39 9.017 -3.495 -0.385 1.00 0.00 C ATOM 622 CD2 TYR A 39 7.532 -4.987 0.732 1.00 0.00 C ATOM 623 CE1 TYR A 39 9.997 -4.472 -0.394 1.00 0.00 C ATOM 624 CE2 TYR A 39 8.508 -5.967 0.732 1.00 0.00 C ATOM 625 CZ TYR A 39 9.738 -5.706 0.166 1.00 0.00 C ATOM 626 OH TYR A 39 10.718 -6.676 0.173 1.00 0.00 O ATOM 0 H TYR A 39 7.167 -1.155 -1.807 1.00 0.00 H new ATOM 0 HA TYR A 39 5.672 -3.620 -1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.178 -1.693 0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.053 -2.833 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.226 -2.530 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.568 -5.198 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.961 -4.269 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.308 -6.932 1.173 1.00 0.00 H new ATOM 0 HH TYR A 39 10.374 -7.485 0.605 1.00 0.00 H new ATOM 636 N TRP A 40 4.504 -0.755 -0.265 1.00 0.00 N ATOM 637 CA TRP A 40 3.310 -0.058 0.203 1.00 0.00 C ATOM 638 C TRP A 40 2.322 0.174 -0.938 1.00 0.00 C ATOM 639 O TRP A 40 1.134 -0.128 -0.803 1.00 0.00 O ATOM 640 CB TRP A 40 3.724 1.276 0.842 1.00 0.00 C ATOM 641 CG TRP A 40 2.611 2.051 1.478 1.00 0.00 C ATOM 642 CD1 TRP A 40 2.232 2.016 2.790 1.00 0.00 C ATOM 643 CD2 TRP A 40 1.747 2.997 0.838 1.00 0.00 C ATOM 644 NE1 TRP A 40 1.185 2.877 3.002 1.00 0.00 N ATOM 645 CE2 TRP A 40 0.872 3.493 1.822 1.00 0.00 C ATOM 646 CE3 TRP A 40 1.628 3.477 -0.469 1.00 0.00 C ATOM 647 CZ2 TRP A 40 -0.103 4.438 1.540 1.00 0.00 C ATOM 648 CZ3 TRP A 40 0.656 4.416 -0.748 1.00 0.00 C ATOM 649 CH2 TRP A 40 -0.198 4.892 0.255 1.00 0.00 C ATOM 0 H TRP A 40 5.357 -0.201 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 40 2.808 -0.677 0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.485 1.078 1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.188 1.899 0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.690 1.400 3.550 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.716 3.032 3.895 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.286 3.119 -1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.765 4.803 2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.552 4.790 -1.756 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.945 5.632 0.008 1.00 0.00 H new ATOM 660 N LEU A 41 2.810 0.671 -2.075 1.00 0.00 N ATOM 661 CA LEU A 41 1.928 0.995 -3.189 1.00 0.00 C ATOM 662 C LEU A 41 1.444 -0.302 -3.839 1.00 0.00 C ATOM 663 O LEU A 41 0.372 -0.349 -4.441 1.00 0.00 O ATOM 664 CB LEU A 41 2.653 1.890 -4.203 1.00 0.00 C ATOM 665 CG LEU A 41 1.793 2.961 -4.885 1.00 0.00 C ATOM 666 CD1 LEU A 41 2.676 3.964 -5.604 1.00 0.00 C ATOM 667 CD2 LEU A 41 0.813 2.339 -5.869 1.00 0.00 C ATOM 0 H LEU A 41 3.799 0.855 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 41 1.063 1.549 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.481 2.385 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.087 1.254 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 41 1.221 3.472 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.053 4.719 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.340 4.445 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.270 3.450 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.218 3.124 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.364 1.796 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.154 1.651 -5.340 1.00 0.00 H new ATOM 679 N GLY A 42 2.238 -1.359 -3.681 1.00 0.00 N ATOM 680 CA GLY A 42 1.831 -2.671 -4.144 1.00 0.00 C ATOM 681 C GLY A 42 0.639 -3.188 -3.366 1.00 0.00 C ATOM 682 O GLY A 42 -0.271 -3.792 -3.936 1.00 0.00 O ATOM 0 H GLY A 42 3.157 -1.328 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.582 -2.623 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.663 -3.368 -4.043 1.00 0.00 H new ATOM 686 N GLY A 43 0.646 -2.950 -2.057 1.00 0.00 N ATOM 687 CA GLY A 43 -0.492 -3.299 -1.231 1.00 0.00 C ATOM 688 C GLY A 43 -1.658 -2.360 -1.467 1.00 0.00 C ATOM 689 O GLY A 43 -2.819 -2.768 -1.407 1.00 0.00 O ATOM 0 H GLY A 43 1.423 -2.520 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.799 -4.323 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.204 -3.266 -0.180 1.00 0.00 H new ATOM 693 N TRP A 44 -1.337 -1.103 -1.747 1.00 0.00 N ATOM 694 CA TRP A 44 -2.338 -0.091 -2.054 1.00 0.00 C ATOM 695 C TRP A 44 -3.136 -0.505 -3.284 1.00 0.00 C ATOM 696 O TRP A 44 -4.365 -0.581 -3.241 1.00 0.00 O ATOM 697 CB TRP A 44 -1.656 1.263 -2.283 1.00 0.00 C ATOM 698 CG TRP A 44 -2.610 2.403 -2.497 1.00 0.00 C ATOM 699 CD1 TRP A 44 -3.265 3.113 -1.533 1.00 0.00 C ATOM 700 CD2 TRP A 44 -3.007 2.970 -3.753 1.00 0.00 C ATOM 701 NE1 TRP A 44 -4.051 4.080 -2.112 1.00 0.00 N ATOM 702 CE2 TRP A 44 -3.909 4.012 -3.472 1.00 0.00 C ATOM 703 CE3 TRP A 44 -2.691 2.698 -5.088 1.00 0.00 C ATOM 704 CZ2 TRP A 44 -4.495 4.782 -4.474 1.00 0.00 C ATOM 705 CZ3 TRP A 44 -3.274 3.463 -6.081 1.00 0.00 C ATOM 706 CH2 TRP A 44 -4.166 4.494 -5.770 1.00 0.00 C ATOM 0 H TRP A 44 -0.377 -0.758 -1.767 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.024 0.003 -1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.024 1.489 -1.424 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.000 1.185 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.178 2.940 -0.470 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.644 4.741 -1.610 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.003 1.904 -5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.185 5.578 -4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.036 3.261 -7.115 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.604 5.074 -6.569 1.00 0.00 H new ATOM 717 N ARG A 45 -2.426 -0.796 -4.371 1.00 0.00 N ATOM 718 CA ARG A 45 -3.061 -1.239 -5.609 1.00 0.00 C ATOM 719 C ARG A 45 -3.752 -2.582 -5.422 1.00 0.00 C ATOM 720 O ARG A 45 -4.730 -2.882 -6.099 1.00 0.00 O ATOM 721 CB ARG A 45 -2.037 -1.349 -6.738 1.00 0.00 C ATOM 722 CG ARG A 45 -1.689 -0.024 -7.392 1.00 0.00 C ATOM 723 CD ARG A 45 -0.749 -0.224 -8.574 1.00 0.00 C ATOM 724 NE ARG A 45 -1.278 -1.196 -9.536 1.00 0.00 N ATOM 725 CZ ARG A 45 -0.896 -1.279 -10.812 1.00 0.00 C ATOM 726 NH1 ARG A 45 -0.009 -0.428 -11.303 1.00 0.00 N ATOM 727 NH2 ARG A 45 -1.414 -2.215 -11.593 1.00 0.00 N ATOM 0 H ARG A 45 -1.409 -0.733 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.808 -0.492 -5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.125 -1.798 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.423 -2.027 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.601 0.469 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.222 0.635 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.587 0.731 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.222 -0.563 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.986 -1.853 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.387 0.297 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.278 -0.497 -12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.102 -2.868 -11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.125 -2.282 -12.569 1.00 0.00 H new ATOM 741 N ASP A 46 -3.241 -3.382 -4.498 1.00 0.00 N ATOM 742 CA ASP A 46 -3.810 -4.694 -4.218 1.00 0.00 C ATOM 743 C ASP A 46 -5.273 -4.548 -3.814 1.00 0.00 C ATOM 744 O ASP A 46 -6.179 -5.017 -4.511 1.00 0.00 O ATOM 745 CB ASP A 46 -3.019 -5.374 -3.097 1.00 0.00 C ATOM 746 CG ASP A 46 -3.233 -6.870 -3.036 1.00 0.00 C ATOM 747 OD1 ASP A 46 -2.789 -7.574 -3.969 1.00 0.00 O ATOM 748 OD2 ASP A 46 -3.801 -7.356 -2.039 1.00 0.00 O ATOM 0 H ASP A 46 -2.430 -3.145 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.752 -5.310 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.957 -5.171 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.305 -4.934 -2.142 1.00 0.00 H new ATOM 753 N ALA A 47 -5.494 -3.838 -2.715 1.00 0.00 N ATOM 754 CA ALA A 47 -6.842 -3.623 -2.207 1.00 0.00 C ATOM 755 C ALA A 47 -7.643 -2.732 -3.146 1.00 0.00 C ATOM 756 O ALA A 47 -8.840 -2.940 -3.350 1.00 0.00 O ATOM 757 CB ALA A 47 -6.794 -3.004 -0.820 1.00 0.00 C ATOM 0 H ALA A 47 -4.758 -3.402 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.336 -4.593 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.809 -2.850 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.262 -3.671 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.276 -2.046 -0.867 1.00 0.00 H new ATOM 763 N ARG A 48 -6.970 -1.741 -3.721 1.00 0.00 N ATOM 764 CA ARG A 48 -7.622 -0.777 -4.590 1.00 0.00 C ATOM 765 C ARG A 48 -8.197 -1.471 -5.816 1.00 0.00 C ATOM 766 O ARG A 48 -9.378 -1.326 -6.111 1.00 0.00 O ATOM 767 CB ARG A 48 -6.635 0.315 -5.011 1.00 0.00 C ATOM 768 CG ARG A 48 -7.291 1.602 -5.486 1.00 0.00 C ATOM 769 CD ARG A 48 -8.198 2.189 -4.416 1.00 0.00 C ATOM 770 NE ARG A 48 -8.477 3.606 -4.643 1.00 0.00 N ATOM 771 CZ ARG A 48 -9.696 4.124 -4.771 1.00 0.00 C ATOM 772 NH1 ARG A 48 -10.768 3.336 -4.785 1.00 0.00 N ATOM 773 NH2 ARG A 48 -9.837 5.434 -4.897 1.00 0.00 N ATOM 0 H ARG A 48 -5.969 -1.587 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.440 -0.313 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.982 0.543 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.001 -0.072 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.522 2.328 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.870 1.406 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.136 1.635 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.731 2.065 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.682 4.242 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.659 2.326 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.698 3.742 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.015 6.038 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.768 5.840 -4.996 1.00 0.00 H new ATOM 787 N ASP A 49 -7.368 -2.256 -6.501 1.00 0.00 N ATOM 788 CA ASP A 49 -7.782 -2.938 -7.727 1.00 0.00 C ATOM 789 C ASP A 49 -8.760 -4.076 -7.451 1.00 0.00 C ATOM 790 O ASP A 49 -9.554 -4.440 -8.316 1.00 0.00 O ATOM 791 CB ASP A 49 -6.572 -3.480 -8.489 1.00 0.00 C ATOM 792 CG ASP A 49 -5.953 -2.452 -9.416 1.00 0.00 C ATOM 793 OD1 ASP A 49 -6.398 -2.355 -10.578 1.00 0.00 O ATOM 794 OD2 ASP A 49 -5.008 -1.748 -9.001 1.00 0.00 O ATOM 0 H ASP A 49 -6.402 -2.436 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.291 -2.193 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.821 -3.818 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.875 -4.351 -9.070 1.00 0.00 H new ATOM 799 N GLU A 50 -8.732 -4.608 -6.238 1.00 0.00 N ATOM 800 CA GLU A 50 -9.575 -5.747 -5.887 1.00 0.00 C ATOM 801 C GLU A 50 -11.010 -5.275 -5.713 1.00 0.00 C ATOM 802 O GLU A 50 -11.968 -5.976 -6.056 1.00 0.00 O ATOM 803 CB GLU A 50 -9.084 -6.423 -4.605 1.00 0.00 C ATOM 804 CG GLU A 50 -9.813 -7.723 -4.295 1.00 0.00 C ATOM 805 CD GLU A 50 -9.380 -8.347 -2.985 1.00 0.00 C ATOM 806 OE1 GLU A 50 -8.228 -8.805 -2.891 1.00 0.00 O ATOM 807 OE2 GLU A 50 -10.200 -8.393 -2.043 1.00 0.00 O ATOM 0 H GLU A 50 -8.137 -4.272 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.524 -6.481 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.017 -6.625 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.209 -5.735 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.886 -7.533 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.639 -8.432 -5.104 1.00 0.00 H new ATOM 814 N LYS A 51 -11.146 -4.062 -5.211 1.00 0.00 N ATOM 815 CA LYS A 51 -12.449 -3.458 -5.038 1.00 0.00 C ATOM 816 C LYS A 51 -12.771 -2.675 -6.290 1.00 0.00 C ATOM 817 O LYS A 51 -13.903 -2.249 -6.510 1.00 0.00 O ATOM 818 CB LYS A 51 -12.463 -2.543 -3.811 1.00 0.00 C ATOM 819 CG LYS A 51 -12.023 -3.241 -2.535 1.00 0.00 C ATOM 820 CD LYS A 51 -12.063 -2.306 -1.336 1.00 0.00 C ATOM 821 CE LYS A 51 -13.488 -1.902 -0.980 1.00 0.00 C ATOM 822 NZ LYS A 51 -13.537 -1.116 0.281 1.00 0.00 N ATOM 0 H LYS A 51 -10.365 -3.476 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.200 -4.231 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.809 -1.691 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.470 -2.148 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.669 -4.099 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.011 -3.626 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.599 -2.794 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.475 -1.414 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.913 -1.313 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.105 -2.795 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.522 -0.859 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.154 -1.687 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.969 -0.252 0.174 1.00 0.00 H new ATOM 836 N GLN A 52 -11.747 -2.515 -7.117 1.00 0.00 N ATOM 837 CA GLN A 52 -11.868 -1.757 -8.353 1.00 0.00 C ATOM 838 C GLN A 52 -12.550 -2.583 -9.437 1.00 0.00 C ATOM 839 O GLN A 52 -13.681 -2.297 -9.831 1.00 0.00 O ATOM 840 CB GLN A 52 -10.485 -1.322 -8.820 1.00 0.00 C ATOM 841 CG GLN A 52 -10.482 -0.250 -9.901 1.00 0.00 C ATOM 842 CD GLN A 52 -10.703 1.158 -9.364 1.00 0.00 C ATOM 843 OE1 GLN A 52 -10.182 2.125 -9.917 1.00 0.00 O ATOM 844 NE2 GLN A 52 -11.474 1.298 -8.297 1.00 0.00 N ATOM 0 H GLN A 52 -10.818 -2.903 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.483 -0.877 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.927 -0.952 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.952 -2.196 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.530 -0.283 -10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.260 -0.478 -10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.893 0.477 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.649 2.226 -7.913 1.00 0.00 H new ATOM 853 N SER A 53 -11.868 -3.614 -9.906 1.00 0.00 N ATOM 854 CA SER A 53 -12.387 -4.441 -10.983 1.00 0.00 C ATOM 855 C SER A 53 -13.317 -5.527 -10.447 1.00 0.00 C ATOM 856 O SER A 53 -14.228 -5.981 -11.144 1.00 0.00 O ATOM 857 CB SER A 53 -11.231 -5.051 -11.777 1.00 0.00 C ATOM 858 OG SER A 53 -10.205 -5.515 -10.914 1.00 0.00 O ATOM 0 H SER A 53 -10.953 -3.899 -9.558 1.00 0.00 H new ATOM 0 HA SER A 53 -12.974 -3.810 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.600 -5.877 -12.385 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.825 -4.307 -12.463 1.00 0.00 H new ATOM 0 HG SER A 53 -9.479 -5.901 -11.447 1.00 0.00 H new ATOM 864 N GLY A 54 -13.092 -5.930 -9.201 1.00 0.00 N ATOM 865 CA GLY A 54 -13.932 -6.937 -8.583 1.00 0.00 C ATOM 866 C GLY A 54 -15.255 -6.367 -8.111 1.00 0.00 C ATOM 867 O GLY A 54 -16.240 -7.098 -7.971 1.00 0.00 O ATOM 0 H GLY A 54 -12.341 -5.576 -8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.118 -7.740 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.405 -7.378 -7.737 1.00 0.00 H new ATOM 871 N LEU A 55 -15.261 -5.059 -7.838 1.00 0.00 N ATOM 872 CA LEU A 55 -16.468 -4.331 -7.419 1.00 0.00 C ATOM 873 C LEU A 55 -17.009 -4.835 -6.078 1.00 0.00 C ATOM 874 O LEU A 55 -18.104 -4.451 -5.664 1.00 0.00 O ATOM 875 CB LEU A 55 -17.559 -4.429 -8.493 1.00 0.00 C ATOM 876 CG LEU A 55 -17.214 -3.783 -9.841 1.00 0.00 C ATOM 877 CD1 LEU A 55 -18.308 -4.051 -10.864 1.00 0.00 C ATOM 878 CD2 LEU A 55 -16.999 -2.284 -9.679 1.00 0.00 C ATOM 0 H LEU A 55 -14.429 -4.472 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.182 -3.287 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.786 -5.482 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.467 -3.964 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.288 -4.230 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.042 -3.584 -11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.417 -5.126 -11.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.250 -3.636 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.755 -1.845 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.909 -1.826 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.179 -2.107 -8.983 1.00 0.00 H new ATOM 890 N TYR A 56 -16.228 -5.691 -5.408 1.00 0.00 N ATOM 891 CA TYR A 56 -16.602 -6.272 -4.114 1.00 0.00 C ATOM 892 C TYR A 56 -17.800 -7.227 -4.251 1.00 0.00 C ATOM 893 O TYR A 56 -18.265 -7.816 -3.273 1.00 0.00 O ATOM 894 CB TYR A 56 -16.881 -5.150 -3.100 1.00 0.00 C ATOM 895 CG TYR A 56 -17.237 -5.625 -1.704 1.00 0.00 C ATOM 896 CD1 TYR A 56 -16.287 -6.225 -0.886 1.00 0.00 C ATOM 897 CD2 TYR A 56 -18.526 -5.470 -1.208 1.00 0.00 C ATOM 898 CE1 TYR A 56 -16.615 -6.661 0.385 1.00 0.00 C ATOM 899 CE2 TYR A 56 -18.860 -5.902 0.059 1.00 0.00 C ATOM 900 CZ TYR A 56 -17.901 -6.495 0.853 1.00 0.00 C ATOM 901 OH TYR A 56 -18.230 -6.927 2.118 1.00 0.00 O ATOM 0 H TYR A 56 -15.318 -6.000 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 56 -15.768 -6.869 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -16.001 -4.510 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -17.697 -4.534 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -15.278 -6.353 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -19.279 -5.003 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.867 -7.129 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -19.868 -5.776 0.427 1.00 0.00 H new ATOM 0 HH TYR A 56 -19.175 -6.734 2.294 1.00 0.00 H new ATOM 911 N LYS A 57 -18.264 -7.419 -5.479 1.00 0.00 N ATOM 912 CA LYS A 57 -19.411 -8.279 -5.738 1.00 0.00 C ATOM 913 C LYS A 57 -18.955 -9.561 -6.438 1.00 0.00 C ATOM 914 O LYS A 57 -19.743 -10.263 -7.078 1.00 0.00 O ATOM 915 CB LYS A 57 -20.449 -7.521 -6.581 1.00 0.00 C ATOM 916 CG LYS A 57 -21.791 -8.230 -6.699 1.00 0.00 C ATOM 917 CD LYS A 57 -22.822 -7.368 -7.412 1.00 0.00 C ATOM 918 CE LYS A 57 -23.190 -6.144 -6.588 1.00 0.00 C ATOM 919 NZ LYS A 57 -24.213 -5.309 -7.267 1.00 0.00 N ATOM 0 H LYS A 57 -17.863 -6.990 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 57 -19.878 -8.559 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -20.608 -6.536 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -20.044 -7.363 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -21.661 -9.166 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -22.156 -8.486 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -22.429 -7.053 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -23.717 -7.958 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -23.567 -6.461 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -22.297 -5.547 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -24.437 -4.485 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -23.844 -4.986 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -25.075 -5.871 -7.419 1.00 0.00 H new ATOM 933 N LEU A 58 -17.673 -9.865 -6.300 1.00 0.00 N ATOM 934 CA LEU A 58 -17.108 -11.076 -6.874 1.00 0.00 C ATOM 935 C LEU A 58 -17.600 -12.311 -6.125 1.00 0.00 C ATOM 936 O LEU A 58 -17.996 -12.225 -4.960 1.00 0.00 O ATOM 937 CB LEU A 58 -15.573 -11.012 -6.899 1.00 0.00 C ATOM 938 CG LEU A 58 -14.890 -10.377 -5.675 1.00 0.00 C ATOM 939 CD1 LEU A 58 -14.995 -11.273 -4.449 1.00 0.00 C ATOM 940 CD2 LEU A 58 -13.435 -10.071 -5.988 1.00 0.00 C ATOM 0 H LEU A 58 -17.003 -9.287 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.450 -11.153 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.192 -12.027 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -15.270 -10.455 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.408 -9.445 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.502 -10.793 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.045 -11.440 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.513 -12.229 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.962 -9.622 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.917 -10.994 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.381 -9.377 -6.827 1.00 0.00 H new ATOM 952 N GLU A 59 -17.576 -13.445 -6.806 1.00 0.00 N ATOM 953 CA GLU A 59 -18.117 -14.685 -6.267 1.00 0.00 C ATOM 954 C GLU A 59 -17.292 -15.188 -5.088 1.00 0.00 C ATOM 955 O GLU A 59 -16.241 -15.809 -5.277 1.00 0.00 O ATOM 956 CB GLU A 59 -18.170 -15.754 -7.358 1.00 0.00 C ATOM 957 CG GLU A 59 -18.994 -15.355 -8.570 1.00 0.00 C ATOM 958 CD GLU A 59 -20.424 -15.020 -8.210 1.00 0.00 C ATOM 959 OE1 GLU A 59 -21.138 -15.916 -7.718 1.00 0.00 O ATOM 960 OE2 GLU A 59 -20.840 -13.856 -8.409 1.00 0.00 O ATOM 0 H GLU A 59 -17.183 -13.534 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.126 -14.480 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.154 -15.981 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.583 -16.670 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.532 -14.493 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.986 -16.169 -9.295 1.00 0.00 H new ATOM 967 N HIS A 60 -17.787 -14.909 -3.881 1.00 0.00 N ATOM 968 CA HIS A 60 -17.138 -15.302 -2.628 1.00 0.00 C ATOM 969 C HIS A 60 -15.803 -14.575 -2.468 1.00 0.00 C ATOM 970 O HIS A 60 -15.720 -13.575 -1.758 1.00 0.00 O ATOM 971 CB HIS A 60 -16.954 -16.821 -2.560 1.00 0.00 C ATOM 972 CG HIS A 60 -17.228 -17.401 -1.206 1.00 0.00 C ATOM 973 ND1 HIS A 60 -16.785 -18.645 -0.818 1.00 0.00 N ATOM 974 CD2 HIS A 60 -17.923 -16.908 -0.153 1.00 0.00 C ATOM 975 CE1 HIS A 60 -17.195 -18.895 0.410 1.00 0.00 C ATOM 976 NE2 HIS A 60 -17.888 -17.858 0.838 1.00 0.00 N ATOM 0 H HIS A 60 -18.659 -14.398 -3.744 1.00 0.00 H new ATOM 0 HA HIS A 60 -17.784 -15.011 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -17.616 -17.291 -3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.933 -17.068 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -18.413 -15.947 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -16.997 -19.797 0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -18.326 -17.775 1.755 1.00 0.00 H new TER 985 HIS A 60