USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 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 GLY N :NH3+ -107:sc= 0.0963 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 3 SER OG : rot -54:sc= 0.123 USER MOD Single : A 5 SER OG : rot 44:sc= 0.805 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-0.507) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.644) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= -0.577 (180deg=-3.11) USER MOD Single : A 20 ASN : amide:sc= -0.81 K(o=-0.81,f=-2.6!) USER MOD Single : A 22 MET CE :methyl 172:sc=-0.00214 (180deg=-0.126) USER MOD Single : A 24 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.055) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -35:sc= 0.707 USER MOD Single : A 40 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.0111 K(o=0.011,f=-1.5!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.938 F(o=-0.41,f=0.94) USER MOD Single : A 55 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 130:sc= 0 USER MOD Single : A 60 SER OG : rot -54:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.710 13.454 7.216 1.00 0.00 N ATOM 2 CA GLY A 1 -19.880 12.960 8.299 1.00 0.00 C ATOM 3 C GLY A 1 -19.226 14.079 9.084 1.00 0.00 C ATOM 4 O GLY A 1 -19.330 15.249 8.715 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.713 13.329 7.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.515 14.464 7.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.498 12.924 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.488 12.355 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.108 12.306 7.892 1.00 0.00 H new ATOM 8 N SER A 2 -18.550 13.721 10.171 1.00 0.00 N ATOM 9 CA SER A 2 -17.881 14.705 11.014 1.00 0.00 C ATOM 10 C SER A 2 -16.373 14.680 10.786 1.00 0.00 C ATOM 11 O SER A 2 -15.805 13.648 10.426 1.00 0.00 O ATOM 12 CB SER A 2 -18.190 14.438 12.489 1.00 0.00 C ATOM 13 OG SER A 2 -17.325 15.178 13.333 1.00 0.00 O ATOM 0 H SER A 2 -18.451 12.757 10.489 1.00 0.00 H new ATOM 0 HA SER A 2 -18.255 15.693 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.226 14.704 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.085 13.374 12.699 1.00 0.00 H new ATOM 0 HG SER A 2 -17.544 14.991 14.270 1.00 0.00 H new ATOM 19 N SER A 3 -15.729 15.823 10.999 1.00 0.00 N ATOM 20 CA SER A 3 -14.287 15.935 10.813 1.00 0.00 C ATOM 21 C SER A 3 -13.892 15.557 9.388 1.00 0.00 C ATOM 22 O SER A 3 -12.901 14.862 9.171 1.00 0.00 O ATOM 23 CB SER A 3 -13.552 15.040 11.812 1.00 0.00 C ATOM 24 OG SER A 3 -12.181 15.388 11.896 1.00 0.00 O ATOM 0 H SER A 3 -16.183 16.685 11.301 1.00 0.00 H new ATOM 0 HA SER A 3 -14.002 16.973 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.014 15.131 12.795 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.648 13.997 11.510 1.00 0.00 H new ATOM 0 HG SER A 3 -11.783 15.370 11.000 1.00 0.00 H new ATOM 30 N GLY A 4 -14.676 16.023 8.421 1.00 0.00 N ATOM 31 CA GLY A 4 -14.394 15.724 7.029 1.00 0.00 C ATOM 32 C GLY A 4 -13.576 16.810 6.358 1.00 0.00 C ATOM 33 O GLY A 4 -12.348 16.737 6.320 1.00 0.00 O ATOM 0 H GLY A 4 -15.501 16.602 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.858 14.777 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.333 15.595 6.491 1.00 0.00 H new ATOM 37 N SER A 5 -14.258 17.819 5.825 1.00 0.00 N ATOM 38 CA SER A 5 -13.587 18.922 5.147 1.00 0.00 C ATOM 39 C SER A 5 -13.644 20.192 5.990 1.00 0.00 C ATOM 40 O SER A 5 -14.539 21.021 5.824 1.00 0.00 O ATOM 41 CB SER A 5 -14.228 19.173 3.781 1.00 0.00 C ATOM 42 OG SER A 5 -15.601 19.496 3.913 1.00 0.00 O ATOM 0 H SER A 5 -15.275 17.895 5.850 1.00 0.00 H new ATOM 0 HA SER A 5 -12.542 18.648 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.707 19.986 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.118 18.287 3.156 1.00 0.00 H new ATOM 0 HG SER A 5 -15.718 20.136 4.646 1.00 0.00 H new ATOM 48 N SER A 6 -12.680 20.338 6.894 1.00 0.00 N ATOM 49 CA SER A 6 -12.621 21.506 7.766 1.00 0.00 C ATOM 50 C SER A 6 -11.522 22.464 7.317 1.00 0.00 C ATOM 51 O SER A 6 -10.399 22.416 7.817 1.00 0.00 O ATOM 52 CB SER A 6 -12.379 21.075 9.214 1.00 0.00 C ATOM 53 OG SER A 6 -13.602 20.811 9.879 1.00 0.00 O ATOM 0 H SER A 6 -11.930 19.663 7.042 1.00 0.00 H new ATOM 0 HA SER A 6 -13.578 22.025 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.752 20.183 9.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.835 21.857 9.743 1.00 0.00 H new ATOM 0 HG SER A 6 -13.420 20.536 10.802 1.00 0.00 H new ATOM 59 N GLY A 7 -11.855 23.335 6.369 1.00 0.00 N ATOM 60 CA GLY A 7 -10.886 24.292 5.868 1.00 0.00 C ATOM 61 C GLY A 7 -10.829 24.321 4.354 1.00 0.00 C ATOM 62 O GLY A 7 -11.741 23.838 3.682 1.00 0.00 O ATOM 0 H GLY A 7 -12.778 23.395 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.137 25.286 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.900 24.045 6.261 1.00 0.00 H new ATOM 66 N PHE A 8 -9.757 24.891 3.814 1.00 0.00 N ATOM 67 CA PHE A 8 -9.586 24.984 2.369 1.00 0.00 C ATOM 68 C PHE A 8 -9.707 23.609 1.718 1.00 0.00 C ATOM 69 O PHE A 8 -9.394 22.589 2.331 1.00 0.00 O ATOM 70 CB PHE A 8 -8.228 25.603 2.033 1.00 0.00 C ATOM 71 CG PHE A 8 -8.262 27.100 1.920 1.00 0.00 C ATOM 72 CD1 PHE A 8 -8.815 27.711 0.806 1.00 0.00 C ATOM 73 CD2 PHE A 8 -7.743 27.896 2.928 1.00 0.00 C ATOM 74 CE1 PHE A 8 -8.848 29.089 0.700 1.00 0.00 C ATOM 75 CE2 PHE A 8 -7.773 29.274 2.827 1.00 0.00 C ATOM 76 CZ PHE A 8 -8.327 29.871 1.712 1.00 0.00 C ATOM 0 H PHE A 8 -8.993 25.296 4.356 1.00 0.00 H new ATOM 0 HA PHE A 8 -10.376 25.624 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.509 25.321 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.869 25.184 1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.225 27.104 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.310 27.434 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.281 29.554 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.364 29.883 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.353 30.948 1.631 1.00 0.00 H new ATOM 86 N LYS A 9 -10.164 23.590 0.470 1.00 0.00 N ATOM 87 CA LYS A 9 -10.326 22.343 -0.267 1.00 0.00 C ATOM 88 C LYS A 9 -9.468 22.341 -1.528 1.00 0.00 C ATOM 89 O LYS A 9 -9.942 22.678 -2.613 1.00 0.00 O ATOM 90 CB LYS A 9 -11.796 22.133 -0.637 1.00 0.00 C ATOM 91 CG LYS A 9 -12.153 20.682 -0.908 1.00 0.00 C ATOM 92 CD LYS A 9 -13.594 20.539 -1.369 1.00 0.00 C ATOM 93 CE LYS A 9 -14.120 19.132 -1.127 1.00 0.00 C ATOM 94 NZ LYS A 9 -14.214 18.818 0.326 1.00 0.00 N ATOM 0 H LYS A 9 -10.429 24.425 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.999 21.525 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.423 22.508 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.028 22.727 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.485 20.278 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.999 20.093 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.219 21.258 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.663 20.777 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.103 19.028 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.464 18.410 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.920 18.069 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.288 18.495 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.500 19.671 0.848 1.00 0.00 H new ATOM 108 N ARG A 10 -8.204 21.957 -1.378 1.00 0.00 N ATOM 109 CA ARG A 10 -7.281 21.911 -2.506 1.00 0.00 C ATOM 110 C ARG A 10 -7.319 20.545 -3.184 1.00 0.00 C ATOM 111 O ARG A 10 -7.640 19.536 -2.555 1.00 0.00 O ATOM 112 CB ARG A 10 -5.858 22.222 -2.039 1.00 0.00 C ATOM 113 CG ARG A 10 -5.619 23.695 -1.750 1.00 0.00 C ATOM 114 CD ARG A 10 -4.138 23.998 -1.585 1.00 0.00 C ATOM 115 NE ARG A 10 -3.698 23.846 -0.201 1.00 0.00 N ATOM 116 CZ ARG A 10 -2.442 23.594 0.147 1.00 0.00 C ATOM 117 NH1 ARG A 10 -1.505 23.467 -0.783 1.00 0.00 N ATOM 118 NH2 ARG A 10 -2.119 23.469 1.428 1.00 0.00 N ATOM 0 H ARG A 10 -7.796 21.674 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.592 22.665 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.646 21.645 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.154 21.892 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.026 24.297 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.153 23.980 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.559 23.332 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.937 25.016 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.394 23.939 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.749 23.563 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.541 23.273 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.836 23.567 2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.154 23.275 1.694 1.00 0.00 H new ATOM 132 N LYS A 11 -6.989 20.519 -4.470 1.00 0.00 N ATOM 133 CA LYS A 11 -6.984 19.278 -5.235 1.00 0.00 C ATOM 134 C LYS A 11 -5.560 18.771 -5.441 1.00 0.00 C ATOM 135 O LYS A 11 -4.908 19.109 -6.429 1.00 0.00 O ATOM 136 CB LYS A 11 -7.663 19.487 -6.590 1.00 0.00 C ATOM 137 CG LYS A 11 -7.837 18.205 -7.387 1.00 0.00 C ATOM 138 CD LYS A 11 -8.538 18.463 -8.711 1.00 0.00 C ATOM 139 CE LYS A 11 -10.048 18.341 -8.575 1.00 0.00 C ATOM 140 NZ LYS A 11 -10.680 19.642 -8.221 1.00 0.00 N ATOM 0 H LYS A 11 -6.721 21.345 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.539 18.530 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.641 19.942 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.075 20.193 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.862 17.755 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.413 17.487 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.283 19.460 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.180 17.754 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.469 17.976 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.285 17.602 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.665 19.652 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.663 19.767 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.154 20.418 -8.672 1.00 0.00 H new ATOM 154 N ALA A 12 -5.084 17.959 -4.503 1.00 0.00 N ATOM 155 CA ALA A 12 -3.739 17.403 -4.585 1.00 0.00 C ATOM 156 C ALA A 12 -3.584 16.203 -3.658 1.00 0.00 C ATOM 157 O ALA A 12 -4.269 16.099 -2.641 1.00 0.00 O ATOM 158 CB ALA A 12 -2.706 18.469 -4.248 1.00 0.00 C ATOM 0 H ALA A 12 -5.610 17.672 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.575 17.063 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.706 18.040 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.793 19.296 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.878 18.836 -3.236 1.00 0.00 H new ATOM 164 N ASN A 13 -2.679 15.298 -4.016 1.00 0.00 N ATOM 165 CA ASN A 13 -2.435 14.103 -3.215 1.00 0.00 C ATOM 166 C ASN A 13 -0.980 14.041 -2.759 1.00 0.00 C ATOM 167 O ASN A 13 -0.156 13.354 -3.363 1.00 0.00 O ATOM 168 CB ASN A 13 -2.783 12.847 -4.017 1.00 0.00 C ATOM 169 CG ASN A 13 -4.221 12.848 -4.497 1.00 0.00 C ATOM 170 OD1 ASN A 13 -5.102 13.419 -3.853 1.00 0.00 O ATOM 171 ND2 ASN A 13 -4.466 12.205 -5.633 1.00 0.00 N ATOM 0 H ASN A 13 -2.103 15.369 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.072 14.151 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.116 12.771 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.609 11.965 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.415 12.170 -6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.705 11.746 -6.133 1.00 0.00 H new ATOM 178 N LYS A 14 -0.671 14.764 -1.688 1.00 0.00 N ATOM 179 CA LYS A 14 0.683 14.791 -1.147 1.00 0.00 C ATOM 180 C LYS A 14 1.002 13.492 -0.414 1.00 0.00 C ATOM 181 O LYS A 14 2.105 12.959 -0.531 1.00 0.00 O ATOM 182 CB LYS A 14 0.851 15.980 -0.198 1.00 0.00 C ATOM 183 CG LYS A 14 -0.084 15.940 0.998 1.00 0.00 C ATOM 184 CD LYS A 14 -0.191 17.300 1.667 1.00 0.00 C ATOM 185 CE LYS A 14 -1.033 17.234 2.932 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.483 17.412 2.644 1.00 0.00 N ATOM 0 H LYS A 14 -1.340 15.340 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 14 1.378 14.897 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.881 16.008 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.680 16.903 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.073 15.612 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.277 15.206 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.806 17.666 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.632 18.015 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.876 16.274 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.704 18.006 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.022 17.361 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.637 18.339 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.804 16.661 2.000 1.00 0.00 H new ATOM 200 N GLU A 15 0.031 12.990 0.341 1.00 0.00 N ATOM 201 CA GLU A 15 0.210 11.753 1.092 1.00 0.00 C ATOM 202 C GLU A 15 0.759 10.646 0.195 1.00 0.00 C ATOM 203 O GLU A 15 1.734 9.979 0.541 1.00 0.00 O ATOM 204 CB GLU A 15 -1.117 11.310 1.713 1.00 0.00 C ATOM 205 CG GLU A 15 -1.359 11.879 3.100 1.00 0.00 C ATOM 206 CD GLU A 15 -1.866 13.308 3.064 1.00 0.00 C ATOM 207 OE1 GLU A 15 -2.718 13.614 2.205 1.00 0.00 O ATOM 208 OE2 GLU A 15 -1.410 14.119 3.897 1.00 0.00 O ATOM 0 H GLU A 15 -0.887 13.420 0.449 1.00 0.00 H new ATOM 0 HA GLU A 15 0.930 11.943 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.934 11.612 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.138 10.222 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.082 11.254 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.431 11.841 3.671 1.00 0.00 H new ATOM 215 N LEU A 16 0.125 10.458 -0.957 1.00 0.00 N ATOM 216 CA LEU A 16 0.549 9.433 -1.904 1.00 0.00 C ATOM 217 C LEU A 16 2.070 9.375 -2.001 1.00 0.00 C ATOM 218 O LEU A 16 2.671 8.313 -1.847 1.00 0.00 O ATOM 219 CB LEU A 16 -0.051 9.706 -3.284 1.00 0.00 C ATOM 220 CG LEU A 16 -0.317 8.479 -4.156 1.00 0.00 C ATOM 221 CD1 LEU A 16 0.975 7.724 -4.424 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.342 7.568 -3.496 1.00 0.00 C ATOM 0 H LEU A 16 -0.684 11.002 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 16 0.190 8.470 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.991 10.242 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.621 10.372 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.721 8.816 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.766 6.854 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.678 8.378 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.409 7.398 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.519 6.700 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.966 7.239 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.276 8.112 -3.357 1.00 0.00 H new ATOM 234 N GLU A 17 2.686 10.526 -2.254 1.00 0.00 N ATOM 235 CA GLU A 17 4.137 10.606 -2.369 1.00 0.00 C ATOM 236 C GLU A 17 4.814 10.005 -1.140 1.00 0.00 C ATOM 237 O GLU A 17 5.850 9.349 -1.249 1.00 0.00 O ATOM 238 CB GLU A 17 4.577 12.060 -2.547 1.00 0.00 C ATOM 239 CG GLU A 17 6.054 12.214 -2.872 1.00 0.00 C ATOM 240 CD GLU A 17 6.361 13.514 -3.589 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.752 14.545 -3.237 1.00 0.00 O ATOM 242 OE2 GLU A 17 7.213 13.499 -4.503 1.00 0.00 O ATOM 0 H GLU A 17 2.203 11.415 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 17 4.439 10.033 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.989 12.514 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.355 12.612 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.632 12.167 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.375 11.377 -3.492 1.00 0.00 H new ATOM 249 N GLU A 18 4.221 10.234 0.027 1.00 0.00 N ATOM 250 CA GLU A 18 4.768 9.717 1.276 1.00 0.00 C ATOM 251 C GLU A 18 4.523 8.215 1.396 1.00 0.00 C ATOM 252 O GLU A 18 5.464 7.425 1.467 1.00 0.00 O ATOM 253 CB GLU A 18 4.146 10.443 2.470 1.00 0.00 C ATOM 254 CG GLU A 18 4.035 11.947 2.278 1.00 0.00 C ATOM 255 CD GLU A 18 5.263 12.690 2.769 1.00 0.00 C ATOM 256 OE1 GLU A 18 6.379 12.145 2.636 1.00 0.00 O ATOM 257 OE2 GLU A 18 5.106 13.816 3.285 1.00 0.00 O ATOM 0 H GLU A 18 3.362 10.774 0.134 1.00 0.00 H new ATOM 0 HA GLU A 18 5.844 9.894 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.153 10.035 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.744 10.242 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.882 12.164 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.157 12.314 2.809 1.00 0.00 H new ATOM 264 N LYS A 19 3.251 7.829 1.418 1.00 0.00 N ATOM 265 CA LYS A 19 2.880 6.424 1.529 1.00 0.00 C ATOM 266 C LYS A 19 3.740 5.560 0.612 1.00 0.00 C ATOM 267 O LYS A 19 4.105 4.439 0.963 1.00 0.00 O ATOM 268 CB LYS A 19 1.401 6.237 1.185 1.00 0.00 C ATOM 269 CG LYS A 19 0.456 6.822 2.221 1.00 0.00 C ATOM 270 CD LYS A 19 -0.846 7.285 1.590 1.00 0.00 C ATOM 271 CE LYS A 19 -1.654 6.112 1.056 1.00 0.00 C ATOM 272 NZ LYS A 19 -1.216 5.711 -0.309 1.00 0.00 N ATOM 0 H LYS A 19 2.460 8.470 1.360 1.00 0.00 H new ATOM 0 HA LYS A 19 3.049 6.110 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.200 6.701 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.194 5.172 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.245 6.074 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.938 7.662 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.436 7.829 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.631 7.980 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.553 5.264 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.711 6.379 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.026 5.755 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.471 6.358 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.845 4.740 -0.283 1.00 0.00 H new ATOM 286 N ASN A 20 4.060 6.090 -0.564 1.00 0.00 N ATOM 287 CA ASN A 20 4.877 5.367 -1.532 1.00 0.00 C ATOM 288 C ASN A 20 6.256 5.058 -0.955 1.00 0.00 C ATOM 289 O ASN A 20 6.746 3.934 -1.062 1.00 0.00 O ATOM 290 CB ASN A 20 5.021 6.182 -2.819 1.00 0.00 C ATOM 291 CG ASN A 20 3.925 5.877 -3.821 1.00 0.00 C ATOM 292 OD1 ASN A 20 3.202 4.890 -3.686 1.00 0.00 O ATOM 293 ND2 ASN A 20 3.798 6.725 -4.835 1.00 0.00 N ATOM 0 H ASN A 20 3.766 7.018 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 20 4.378 4.425 -1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.003 7.245 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.991 5.974 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.079 6.571 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.420 7.530 -4.907 1.00 0.00 H new ATOM 300 N ARG A 21 6.875 6.063 -0.344 1.00 0.00 N ATOM 301 CA ARG A 21 8.196 5.899 0.248 1.00 0.00 C ATOM 302 C ARG A 21 8.222 4.706 1.199 1.00 0.00 C ATOM 303 O ARG A 21 9.033 3.793 1.044 1.00 0.00 O ATOM 304 CB ARG A 21 8.605 7.169 0.996 1.00 0.00 C ATOM 305 CG ARG A 21 10.022 7.124 1.545 1.00 0.00 C ATOM 306 CD ARG A 21 10.176 8.021 2.763 1.00 0.00 C ATOM 307 NE ARG A 21 11.565 8.420 2.977 1.00 0.00 N ATOM 308 CZ ARG A 21 12.250 9.180 2.130 1.00 0.00 C ATOM 309 NH1 ARG A 21 11.677 9.622 1.018 1.00 0.00 N ATOM 310 NH2 ARG A 21 13.510 9.501 2.394 1.00 0.00 N ATOM 0 H ARG A 21 6.482 6.999 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 21 8.906 5.715 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.512 8.022 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.911 7.335 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.277 6.099 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.723 7.436 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.558 8.910 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.809 7.499 3.646 1.00 0.00 H new ATOM 0 HE ARG A 21 12.034 8.097 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.708 9.378 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.205 10.205 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.954 9.164 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.035 10.085 1.743 1.00 0.00 H new ATOM 324 N MET A 22 7.328 4.720 2.183 1.00 0.00 N ATOM 325 CA MET A 22 7.248 3.639 3.158 1.00 0.00 C ATOM 326 C MET A 22 7.336 2.280 2.471 1.00 0.00 C ATOM 327 O MET A 22 8.165 1.443 2.832 1.00 0.00 O ATOM 328 CB MET A 22 5.946 3.738 3.955 1.00 0.00 C ATOM 329 CG MET A 22 5.856 4.983 4.822 1.00 0.00 C ATOM 330 SD MET A 22 4.178 5.315 5.390 1.00 0.00 S ATOM 331 CE MET A 22 3.854 3.848 6.365 1.00 0.00 C ATOM 0 H MET A 22 6.649 5.468 2.326 1.00 0.00 H new ATOM 0 HA MET A 22 8.092 3.736 3.841 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.104 3.726 3.263 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.850 2.856 4.589 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.511 4.868 5.685 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.221 5.841 4.257 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.911 3.967 6.899 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.792 2.981 5.708 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.661 3.702 7.083 1.00 0.00 H new ATOM 341 N LEU A 23 6.477 2.066 1.481 1.00 0.00 N ATOM 342 CA LEU A 23 6.458 0.807 0.743 1.00 0.00 C ATOM 343 C LEU A 23 7.849 0.460 0.222 1.00 0.00 C ATOM 344 O LEU A 23 8.298 -0.680 0.338 1.00 0.00 O ATOM 345 CB LEU A 23 5.471 0.892 -0.422 1.00 0.00 C ATOM 346 CG LEU A 23 3.989 0.806 -0.054 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.127 1.360 -1.178 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.600 -0.630 0.261 1.00 0.00 C ATOM 0 H LEU A 23 5.784 2.747 1.170 1.00 0.00 H new ATOM 0 HA LEU A 23 6.139 0.019 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.640 1.832 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.698 0.089 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 23 3.820 1.410 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.076 1.291 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.387 2.404 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.300 0.783 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.542 -0.672 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.785 -1.257 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.194 -0.992 1.100 1.00 0.00 H new ATOM 360 N GLN A 24 8.525 1.451 -0.350 1.00 0.00 N ATOM 361 CA GLN A 24 9.866 1.250 -0.887 1.00 0.00 C ATOM 362 C GLN A 24 10.813 0.735 0.192 1.00 0.00 C ATOM 363 O GLN A 24 11.492 -0.274 0.004 1.00 0.00 O ATOM 364 CB GLN A 24 10.404 2.556 -1.474 1.00 0.00 C ATOM 365 CG GLN A 24 9.688 2.994 -2.741 1.00 0.00 C ATOM 366 CD GLN A 24 10.338 4.200 -3.391 1.00 0.00 C ATOM 367 OE1 GLN A 24 11.304 4.069 -4.143 1.00 0.00 O ATOM 368 NE2 GLN A 24 9.809 5.384 -3.104 1.00 0.00 N ATOM 0 H GLN A 24 8.167 2.400 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 24 9.805 0.502 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.316 3.344 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.466 2.438 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.674 2.167 -3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.650 3.229 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.008 5.446 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.204 6.231 -3.512 1.00 0.00 H new ATOM 377 N GLU A 25 10.852 1.435 1.321 1.00 0.00 N ATOM 378 CA GLU A 25 11.718 1.048 2.429 1.00 0.00 C ATOM 379 C GLU A 25 11.294 -0.300 3.005 1.00 0.00 C ATOM 380 O GLU A 25 12.132 -1.096 3.430 1.00 0.00 O ATOM 381 CB GLU A 25 11.688 2.115 3.526 1.00 0.00 C ATOM 382 CG GLU A 25 12.258 3.454 3.088 1.00 0.00 C ATOM 383 CD GLU A 25 11.865 4.587 4.016 1.00 0.00 C ATOM 384 OE1 GLU A 25 11.708 4.332 5.229 1.00 0.00 O ATOM 385 OE2 GLU A 25 11.715 5.727 3.531 1.00 0.00 O ATOM 0 H GLU A 25 10.295 2.272 1.493 1.00 0.00 H new ATOM 0 HA GLU A 25 12.735 0.958 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.658 2.258 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.250 1.754 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.345 3.385 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.912 3.679 2.079 1.00 0.00 H new ATOM 392 N ASP A 26 9.989 -0.549 3.016 1.00 0.00 N ATOM 393 CA ASP A 26 9.454 -1.800 3.538 1.00 0.00 C ATOM 394 C ASP A 26 8.902 -2.668 2.411 1.00 0.00 C ATOM 395 O ASP A 26 7.707 -2.656 2.114 1.00 0.00 O ATOM 396 CB ASP A 26 8.357 -1.520 4.567 1.00 0.00 C ATOM 397 CG ASP A 26 8.918 -1.209 5.941 1.00 0.00 C ATOM 398 OD1 ASP A 26 10.043 -0.675 6.014 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.231 -1.501 6.942 1.00 0.00 O ATOM 0 H ASP A 26 9.282 0.100 2.669 1.00 0.00 H new ATOM 0 HA ASP A 26 10.267 -2.340 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.750 -0.681 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.697 -2.385 4.634 1.00 0.00 H new ATOM 404 N PRO A 27 9.791 -3.439 1.768 1.00 0.00 N ATOM 405 CA PRO A 27 9.416 -4.326 0.663 1.00 0.00 C ATOM 406 C PRO A 27 8.579 -5.512 1.131 1.00 0.00 C ATOM 407 O PRO A 27 7.913 -6.169 0.330 1.00 0.00 O ATOM 408 CB PRO A 27 10.765 -4.805 0.119 1.00 0.00 C ATOM 409 CG PRO A 27 11.701 -4.689 1.272 1.00 0.00 C ATOM 410 CD PRO A 27 11.231 -3.503 2.069 1.00 0.00 C ATOM 0 HA PRO A 27 8.799 -3.817 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.705 -5.832 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.093 -4.192 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.689 -5.595 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.726 -4.548 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.413 -3.638 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.745 -2.589 1.771 1.00 0.00 H new ATOM 418 N VAL A 28 8.618 -5.781 2.432 1.00 0.00 N ATOM 419 CA VAL A 28 7.862 -6.888 3.006 1.00 0.00 C ATOM 420 C VAL A 28 6.406 -6.498 3.236 1.00 0.00 C ATOM 421 O VAL A 28 5.491 -7.269 2.944 1.00 0.00 O ATOM 422 CB VAL A 28 8.474 -7.353 4.341 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.641 -8.471 4.950 1.00 0.00 C ATOM 424 CG2 VAL A 28 9.914 -7.799 4.139 1.00 0.00 C ATOM 0 H VAL A 28 9.165 -5.248 3.108 1.00 0.00 H new ATOM 0 HA VAL A 28 7.907 -7.708 2.289 1.00 0.00 H new ATOM 0 HB VAL A 28 8.472 -6.512 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.089 -8.786 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.628 -8.112 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.609 -9.316 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.331 -8.124 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.943 -8.626 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.502 -6.967 3.751 1.00 0.00 H new ATOM 434 N LEU A 29 6.197 -5.295 3.760 1.00 0.00 N ATOM 435 CA LEU A 29 4.851 -4.800 4.029 1.00 0.00 C ATOM 436 C LEU A 29 4.021 -4.760 2.751 1.00 0.00 C ATOM 437 O LEU A 29 2.824 -5.048 2.766 1.00 0.00 O ATOM 438 CB LEU A 29 4.915 -3.406 4.655 1.00 0.00 C ATOM 439 CG LEU A 29 3.612 -2.606 4.644 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.809 -2.875 5.908 1.00 0.00 C ATOM 441 CD2 LEU A 29 3.900 -1.119 4.501 1.00 0.00 C ATOM 0 H LEU A 29 6.942 -4.644 4.007 1.00 0.00 H new ATOM 0 HA LEU A 29 4.371 -5.484 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.247 -3.508 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.677 -2.829 4.131 1.00 0.00 H new ATOM 0 HG LEU A 29 3.020 -2.926 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.885 -2.297 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.571 -3.937 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.395 -2.584 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.961 -0.565 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.513 -0.785 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.433 -0.940 3.567 1.00 0.00 H new ATOM 453 N PHE A 30 4.664 -4.401 1.644 1.00 0.00 N ATOM 454 CA PHE A 30 3.985 -4.324 0.356 1.00 0.00 C ATOM 455 C PHE A 30 3.205 -5.606 0.075 1.00 0.00 C ATOM 456 O PHE A 30 2.022 -5.563 -0.259 1.00 0.00 O ATOM 457 CB PHE A 30 4.997 -4.073 -0.763 1.00 0.00 C ATOM 458 CG PHE A 30 4.418 -3.342 -1.941 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.294 -3.826 -2.590 1.00 0.00 C ATOM 460 CD2 PHE A 30 4.999 -2.170 -2.399 1.00 0.00 C ATOM 461 CE1 PHE A 30 2.760 -3.156 -3.674 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.469 -1.496 -3.483 1.00 0.00 C ATOM 463 CZ PHE A 30 3.348 -1.989 -4.121 1.00 0.00 C ATOM 0 H PHE A 30 5.654 -4.159 1.614 1.00 0.00 H new ATOM 0 HA PHE A 30 3.281 -3.492 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.833 -3.499 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.399 -5.029 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.830 -4.738 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.875 -1.779 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.884 -3.545 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.931 -0.584 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.932 -1.463 -4.968 1.00 0.00 H new ATOM 473 N GLN A 31 3.879 -6.743 0.211 1.00 0.00 N ATOM 474 CA GLN A 31 3.251 -8.036 -0.030 1.00 0.00 C ATOM 475 C GLN A 31 1.816 -8.049 0.488 1.00 0.00 C ATOM 476 O GLN A 31 0.872 -8.260 -0.275 1.00 0.00 O ATOM 477 CB GLN A 31 4.056 -9.151 0.639 1.00 0.00 C ATOM 478 CG GLN A 31 3.680 -10.545 0.161 1.00 0.00 C ATOM 479 CD GLN A 31 4.115 -10.809 -1.267 1.00 0.00 C ATOM 480 OE1 GLN A 31 5.307 -10.811 -1.575 1.00 0.00 O ATOM 481 NE2 GLN A 31 3.147 -11.035 -2.148 1.00 0.00 N ATOM 0 H GLN A 31 4.860 -6.795 0.487 1.00 0.00 H new ATOM 0 HA GLN A 31 3.232 -8.207 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.117 -8.985 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.912 -9.095 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.135 -11.286 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.600 -10.672 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.172 -11.024 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.379 -11.220 -3.124 1.00 0.00 H new ATOM 490 N LEU A 32 1.659 -7.823 1.787 1.00 0.00 N ATOM 491 CA LEU A 32 0.339 -7.809 2.408 1.00 0.00 C ATOM 492 C LEU A 32 -0.625 -6.931 1.616 1.00 0.00 C ATOM 493 O LEU A 32 -1.716 -7.366 1.247 1.00 0.00 O ATOM 494 CB LEU A 32 0.437 -7.308 3.850 1.00 0.00 C ATOM 495 CG LEU A 32 0.885 -8.336 4.889 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.120 -9.473 4.984 1.00 0.00 C ATOM 497 CD2 LEU A 32 2.268 -8.872 4.546 1.00 0.00 C ATOM 0 H LEU A 32 2.430 -7.647 2.432 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.046 -8.829 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.132 -6.469 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.539 -6.923 4.147 1.00 0.00 H new ATOM 0 HG LEU A 32 0.938 -7.843 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.216 -10.195 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.092 -9.076 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.206 -9.965 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.571 -9.603 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.241 -9.348 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.983 -8.050 4.530 1.00 0.00 H new ATOM 509 N TYR A 33 -0.214 -5.695 1.358 1.00 0.00 N ATOM 510 CA TYR A 33 -1.042 -4.755 0.610 1.00 0.00 C ATOM 511 C TYR A 33 -1.569 -5.393 -0.671 1.00 0.00 C ATOM 512 O TYR A 33 -2.711 -5.165 -1.069 1.00 0.00 O ATOM 513 CB TYR A 33 -0.242 -3.495 0.274 1.00 0.00 C ATOM 514 CG TYR A 33 -0.856 -2.666 -0.831 1.00 0.00 C ATOM 515 CD1 TYR A 33 -0.756 -3.059 -2.160 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.537 -1.488 -0.547 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.314 -2.304 -3.173 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.100 -0.727 -1.553 1.00 0.00 C ATOM 519 CZ TYR A 33 -1.985 -1.139 -2.865 1.00 0.00 C ATOM 520 OH TYR A 33 -2.544 -0.385 -3.871 1.00 0.00 O ATOM 0 H TYR A 33 0.687 -5.320 1.655 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.893 -4.482 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.153 -2.881 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.768 -3.783 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.233 -3.971 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.628 -1.162 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.225 -2.624 -4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.627 0.185 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.981 0.403 -3.485 1.00 0.00 H new ATOM 530 N LYS A 34 -0.727 -6.196 -1.314 1.00 0.00 N ATOM 531 CA LYS A 34 -1.106 -6.871 -2.550 1.00 0.00 C ATOM 532 C LYS A 34 -1.994 -8.077 -2.261 1.00 0.00 C ATOM 533 O LYS A 34 -3.139 -8.138 -2.708 1.00 0.00 O ATOM 534 CB LYS A 34 0.142 -7.315 -3.316 1.00 0.00 C ATOM 535 CG LYS A 34 0.981 -6.159 -3.833 1.00 0.00 C ATOM 536 CD LYS A 34 2.332 -6.635 -4.343 1.00 0.00 C ATOM 537 CE LYS A 34 2.198 -7.388 -5.657 1.00 0.00 C ATOM 538 NZ LYS A 34 2.299 -6.478 -6.831 1.00 0.00 N ATOM 0 H LYS A 34 0.223 -6.395 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.669 -6.166 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.756 -7.936 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.161 -7.938 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.447 -5.651 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.128 -5.430 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.993 -5.779 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.796 -7.281 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.975 -8.149 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.240 -7.908 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.203 -7.030 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.542 -5.767 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.223 -6.001 -6.822 1.00 0.00 H new ATOM 552 N ASP A 35 -1.459 -9.034 -1.510 1.00 0.00 N ATOM 553 CA ASP A 35 -2.204 -10.237 -1.160 1.00 0.00 C ATOM 554 C ASP A 35 -3.609 -9.886 -0.681 1.00 0.00 C ATOM 555 O ASP A 35 -4.513 -10.723 -0.707 1.00 0.00 O ATOM 556 CB ASP A 35 -1.464 -11.023 -0.076 1.00 0.00 C ATOM 557 CG ASP A 35 -1.811 -12.499 -0.092 1.00 0.00 C ATOM 558 OD1 ASP A 35 -1.485 -13.175 -1.090 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.409 -12.978 0.894 1.00 0.00 O ATOM 0 H ASP A 35 -0.512 -8.999 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.288 -10.856 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.389 -10.904 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.708 -10.606 0.901 1.00 0.00 H new ATOM 564 N LEU A 36 -3.787 -8.644 -0.243 1.00 0.00 N ATOM 565 CA LEU A 36 -5.082 -8.182 0.243 1.00 0.00 C ATOM 566 C LEU A 36 -5.800 -7.359 -0.821 1.00 0.00 C ATOM 567 O LEU A 36 -6.894 -7.713 -1.262 1.00 0.00 O ATOM 568 CB LEU A 36 -4.905 -7.350 1.514 1.00 0.00 C ATOM 569 CG LEU A 36 -4.200 -8.047 2.679 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.487 -7.030 3.557 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.195 -8.856 3.498 1.00 0.00 C ATOM 0 H LEU A 36 -3.050 -7.939 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.690 -9.057 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.343 -6.451 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.889 -7.026 1.852 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.455 -8.730 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.991 -7.544 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.745 -6.494 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.213 -6.322 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.676 -9.345 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.963 -8.193 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.660 -9.611 2.864 1.00 0.00 H new ATOM 583 N VAL A 37 -5.178 -6.258 -1.231 1.00 0.00 N ATOM 584 CA VAL A 37 -5.756 -5.386 -2.246 1.00 0.00 C ATOM 585 C VAL A 37 -5.795 -6.075 -3.605 1.00 0.00 C ATOM 586 O VAL A 37 -6.861 -6.242 -4.198 1.00 0.00 O ATOM 587 CB VAL A 37 -4.964 -4.071 -2.373 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.586 -3.173 -3.431 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.897 -3.358 -1.030 1.00 0.00 C ATOM 0 H VAL A 37 -4.273 -5.949 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.773 -5.160 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.947 -4.308 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.013 -2.249 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.578 -3.685 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.614 -2.941 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.334 -2.431 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.907 -3.132 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.402 -4.000 -0.301 1.00 0.00 H new ATOM 599 N VAL A 38 -4.626 -6.474 -4.095 1.00 0.00 N ATOM 600 CA VAL A 38 -4.526 -7.147 -5.384 1.00 0.00 C ATOM 601 C VAL A 38 -5.435 -8.370 -5.437 1.00 0.00 C ATOM 602 O VAL A 38 -5.921 -8.750 -6.503 1.00 0.00 O ATOM 603 CB VAL A 38 -3.079 -7.584 -5.679 1.00 0.00 C ATOM 604 CG1 VAL A 38 -3.012 -8.368 -6.981 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.157 -6.375 -5.728 1.00 0.00 C ATOM 0 H VAL A 38 -3.734 -6.343 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.842 -6.429 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.744 -8.236 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.982 -8.668 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.640 -9.255 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.366 -7.743 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.139 -6.702 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.489 -5.696 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.182 -5.859 -4.768 1.00 0.00 H new ATOM 615 N SER A 39 -5.661 -8.983 -4.280 1.00 0.00 N ATOM 616 CA SER A 39 -6.510 -10.166 -4.195 1.00 0.00 C ATOM 617 C SER A 39 -7.985 -9.777 -4.191 1.00 0.00 C ATOM 618 O SER A 39 -8.855 -10.604 -3.920 1.00 0.00 O ATOM 619 CB SER A 39 -6.179 -10.967 -2.934 1.00 0.00 C ATOM 620 OG SER A 39 -6.883 -12.197 -2.912 1.00 0.00 O ATOM 0 H SER A 39 -5.268 -8.681 -3.389 1.00 0.00 H new ATOM 0 HA SER A 39 -6.318 -10.785 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.107 -11.157 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.434 -10.382 -2.050 1.00 0.00 H new ATOM 0 HG SER A 39 -7.765 -12.077 -3.322 1.00 0.00 H new ATOM 626 N GLN A 40 -8.258 -8.512 -4.496 1.00 0.00 N ATOM 627 CA GLN A 40 -9.627 -8.013 -4.527 1.00 0.00 C ATOM 628 C GLN A 40 -10.348 -8.318 -3.218 1.00 0.00 C ATOM 629 O GLN A 40 -11.519 -8.700 -3.216 1.00 0.00 O ATOM 630 CB GLN A 40 -10.391 -8.631 -5.700 1.00 0.00 C ATOM 631 CG GLN A 40 -9.787 -8.308 -7.057 1.00 0.00 C ATOM 632 CD GLN A 40 -10.824 -8.266 -8.162 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.954 -8.724 -7.987 1.00 0.00 O ATOM 634 NE2 GLN A 40 -10.445 -7.715 -9.309 1.00 0.00 N ATOM 0 H GLN A 40 -7.549 -7.815 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.590 -6.931 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.421 -9.713 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.422 -8.278 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.279 -7.345 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.031 -9.055 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.499 -7.348 -9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.100 -7.659 -10.089 1.00 0.00 H new ATOM 643 N VAL A 41 -9.642 -8.147 -2.105 1.00 0.00 N ATOM 644 CA VAL A 41 -10.214 -8.403 -0.789 1.00 0.00 C ATOM 645 C VAL A 41 -10.550 -7.100 -0.073 1.00 0.00 C ATOM 646 O VAL A 41 -11.544 -7.015 0.649 1.00 0.00 O ATOM 647 CB VAL A 41 -9.255 -9.227 0.090 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.867 -9.477 1.459 1.00 0.00 C ATOM 649 CG2 VAL A 41 -8.901 -10.539 -0.593 1.00 0.00 C ATOM 0 H VAL A 41 -8.672 -7.832 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.129 -8.973 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.336 -8.657 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.175 -10.061 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.064 -8.524 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.802 -10.026 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.223 -11.108 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.809 -11.117 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.417 -10.333 -1.548 1.00 0.00 H new ATOM 659 N ILE A 42 -9.715 -6.087 -0.277 1.00 0.00 N ATOM 660 CA ILE A 42 -9.925 -4.787 0.348 1.00 0.00 C ATOM 661 C ILE A 42 -9.394 -3.661 -0.533 1.00 0.00 C ATOM 662 O ILE A 42 -8.553 -3.884 -1.404 1.00 0.00 O ATOM 663 CB ILE A 42 -9.243 -4.709 1.727 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.728 -4.862 1.580 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.802 -5.777 2.655 1.00 0.00 C ATOM 666 CD1 ILE A 42 -6.952 -4.361 2.778 1.00 0.00 C ATOM 0 H ILE A 42 -8.887 -6.141 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.001 -4.669 0.476 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.449 -3.732 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.491 -5.913 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.400 -4.320 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.310 -5.709 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.874 -5.625 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.623 -6.763 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.885 -4.501 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.160 -3.302 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.252 -4.919 3.665 1.00 0.00 H new ATOM 678 N SER A 43 -9.890 -2.450 -0.300 1.00 0.00 N ATOM 679 CA SER A 43 -9.467 -1.289 -1.073 1.00 0.00 C ATOM 680 C SER A 43 -8.262 -0.614 -0.426 1.00 0.00 C ATOM 681 O SER A 43 -8.126 -0.602 0.797 1.00 0.00 O ATOM 682 CB SER A 43 -10.618 -0.289 -1.202 1.00 0.00 C ATOM 683 OG SER A 43 -11.092 0.110 0.073 1.00 0.00 O ATOM 0 H SER A 43 -10.585 -2.248 0.418 1.00 0.00 H new ATOM 0 HA SER A 43 -9.179 -1.631 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.283 0.586 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.432 -0.738 -1.772 1.00 0.00 H new ATOM 0 HG SER A 43 -11.826 0.750 -0.036 1.00 0.00 H new ATOM 689 N ALA A 44 -7.390 -0.052 -1.256 1.00 0.00 N ATOM 690 CA ALA A 44 -6.196 0.627 -0.766 1.00 0.00 C ATOM 691 C ALA A 44 -6.493 1.404 0.512 1.00 0.00 C ATOM 692 O ALA A 44 -5.697 1.400 1.450 1.00 0.00 O ATOM 693 CB ALA A 44 -5.642 1.557 -1.834 1.00 0.00 C ATOM 0 H ALA A 44 -7.488 -0.053 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.446 -0.130 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.751 2.057 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.384 0.979 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.394 2.302 -2.093 1.00 0.00 H new ATOM 699 N GLU A 45 -7.644 2.069 0.541 1.00 0.00 N ATOM 700 CA GLU A 45 -8.043 2.852 1.705 1.00 0.00 C ATOM 701 C GLU A 45 -8.079 1.983 2.959 1.00 0.00 C ATOM 702 O GLU A 45 -7.614 2.392 4.022 1.00 0.00 O ATOM 703 CB GLU A 45 -9.415 3.488 1.472 1.00 0.00 C ATOM 704 CG GLU A 45 -9.407 4.586 0.422 1.00 0.00 C ATOM 705 CD GLU A 45 -10.642 5.464 0.486 1.00 0.00 C ATOM 706 OE1 GLU A 45 -11.676 5.077 -0.099 1.00 0.00 O ATOM 707 OE2 GLU A 45 -10.575 6.537 1.121 1.00 0.00 O ATOM 0 H GLU A 45 -8.315 2.081 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.305 3.640 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.119 2.713 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.780 3.900 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.519 5.204 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.337 4.136 -0.568 1.00 0.00 H new ATOM 714 N GLU A 46 -8.635 0.783 2.825 1.00 0.00 N ATOM 715 CA GLU A 46 -8.733 -0.142 3.947 1.00 0.00 C ATOM 716 C GLU A 46 -7.354 -0.439 4.530 1.00 0.00 C ATOM 717 O GLU A 46 -7.144 -0.339 5.739 1.00 0.00 O ATOM 718 CB GLU A 46 -9.403 -1.445 3.506 1.00 0.00 C ATOM 719 CG GLU A 46 -9.992 -2.246 4.654 1.00 0.00 C ATOM 720 CD GLU A 46 -10.963 -1.437 5.492 1.00 0.00 C ATOM 721 OE1 GLU A 46 -11.662 -0.573 4.920 1.00 0.00 O ATOM 722 OE2 GLU A 46 -11.025 -1.667 6.717 1.00 0.00 O ATOM 0 H GLU A 46 -9.024 0.429 1.951 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.342 0.328 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.194 -1.213 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.672 -2.061 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.504 -3.122 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.185 -2.610 5.290 1.00 0.00 H new ATOM 729 N PHE A 47 -6.417 -0.804 3.661 1.00 0.00 N ATOM 730 CA PHE A 47 -5.058 -1.117 4.088 1.00 0.00 C ATOM 731 C PHE A 47 -4.465 0.032 4.899 1.00 0.00 C ATOM 732 O PHE A 47 -4.224 -0.101 6.099 1.00 0.00 O ATOM 733 CB PHE A 47 -4.174 -1.410 2.875 1.00 0.00 C ATOM 734 CG PHE A 47 -2.831 -1.978 3.235 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.732 -3.192 3.895 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.668 -1.297 2.913 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.497 -3.717 4.227 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.431 -1.818 3.242 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.345 -3.029 3.901 1.00 0.00 C ATOM 0 H PHE A 47 -6.574 -0.890 2.657 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.098 -2.003 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.692 -2.110 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.030 -0.489 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.630 -3.734 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.729 -0.349 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.433 -4.665 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.468 -1.278 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.621 -3.437 4.161 1.00 0.00 H new ATOM 749 N TRP A 48 -4.233 1.158 4.235 1.00 0.00 N ATOM 750 CA TRP A 48 -3.667 2.330 4.893 1.00 0.00 C ATOM 751 C TRP A 48 -4.493 2.721 6.113 1.00 0.00 C ATOM 752 O TRP A 48 -3.989 3.359 7.037 1.00 0.00 O ATOM 753 CB TRP A 48 -3.594 3.504 3.914 1.00 0.00 C ATOM 754 CG TRP A 48 -2.608 3.293 2.806 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.857 3.352 1.465 1.00 0.00 C ATOM 756 CD2 TRP A 48 -1.216 2.986 2.944 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.704 3.101 0.761 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.683 2.874 1.645 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.368 2.797 4.039 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.658 2.581 1.414 1.00 0.00 C ATOM 761 CZ3 TRP A 48 0.963 2.506 3.808 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.466 2.401 2.504 1.00 0.00 C ATOM 0 H TRP A 48 -4.428 1.285 3.242 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.660 2.079 5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.582 3.672 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.327 4.408 4.461 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.819 3.565 1.022 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.622 3.086 -0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.746 2.877 5.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.047 2.499 0.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.627 2.357 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.511 2.174 2.356 1.00 0.00 H new ATOM 773 N ALA A 49 -5.765 2.334 6.111 1.00 0.00 N ATOM 774 CA ALA A 49 -6.659 2.642 7.220 1.00 0.00 C ATOM 775 C ALA A 49 -5.994 2.347 8.560 1.00 0.00 C ATOM 776 O ALA A 49 -5.745 3.255 9.353 1.00 0.00 O ATOM 777 CB ALA A 49 -7.954 1.855 7.087 1.00 0.00 C ATOM 0 H ALA A 49 -6.199 1.807 5.353 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.888 3.707 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.613 2.094 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.445 2.118 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.733 0.788 7.094 1.00 0.00 H new ATOM 783 N ASN A 50 -5.709 1.073 8.807 1.00 0.00 N ATOM 784 CA ASN A 50 -5.073 0.659 10.052 1.00 0.00 C ATOM 785 C ASN A 50 -3.556 0.791 9.959 1.00 0.00 C ATOM 786 O ASN A 50 -2.817 0.020 10.571 1.00 0.00 O ATOM 787 CB ASN A 50 -5.450 -0.786 10.386 1.00 0.00 C ATOM 788 CG ASN A 50 -5.631 -1.638 9.144 1.00 0.00 C ATOM 789 OD1 ASN A 50 -6.669 -1.581 8.485 1.00 0.00 O ATOM 790 ND2 ASN A 50 -4.618 -2.434 8.821 1.00 0.00 N ATOM 0 H ASN A 50 -5.908 0.309 8.161 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.429 1.314 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.675 -1.225 11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.373 -0.793 10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.682 -3.031 7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.777 -2.448 9.397 1.00 0.00 H new ATOM 797 N ARG A 51 -3.100 1.774 9.190 1.00 0.00 N ATOM 798 CA ARG A 51 -1.671 2.008 9.016 1.00 0.00 C ATOM 799 C ARG A 51 -1.306 3.443 9.386 1.00 0.00 C ATOM 800 O ARG A 51 -0.605 3.683 10.369 1.00 0.00 O ATOM 801 CB ARG A 51 -1.258 1.721 7.572 1.00 0.00 C ATOM 802 CG ARG A 51 0.247 1.674 7.367 1.00 0.00 C ATOM 803 CD ARG A 51 0.804 0.286 7.644 1.00 0.00 C ATOM 804 NE ARG A 51 2.217 0.326 8.010 1.00 0.00 N ATOM 805 CZ ARG A 51 2.653 0.628 9.228 1.00 0.00 C ATOM 806 NH1 ARG A 51 1.790 0.914 10.192 1.00 0.00 N ATOM 807 NH2 ARG A 51 3.955 0.644 9.483 1.00 0.00 N ATOM 0 H ARG A 51 -3.699 2.421 8.677 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.134 1.332 9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.688 0.769 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.681 2.488 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.485 1.965 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.728 2.398 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.234 -0.179 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.676 -0.339 6.760 1.00 0.00 H new ATOM 0 HE ARG A 51 2.907 0.110 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.788 0.903 10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.127 1.146 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.622 0.424 8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.289 0.876 10.419 1.00 0.00 H new ATOM 821 N LEU A 52 -1.785 4.393 8.590 1.00 0.00 N ATOM 822 CA LEU A 52 -1.510 5.805 8.833 1.00 0.00 C ATOM 823 C LEU A 52 -2.067 6.245 10.183 1.00 0.00 C ATOM 824 O LEU A 52 -1.357 6.835 10.996 1.00 0.00 O ATOM 825 CB LEU A 52 -2.111 6.661 7.717 1.00 0.00 C ATOM 826 CG LEU A 52 -1.341 6.678 6.395 1.00 0.00 C ATOM 827 CD1 LEU A 52 0.025 7.320 6.582 1.00 0.00 C ATOM 828 CD2 LEU A 52 -1.200 5.268 5.842 1.00 0.00 C ATOM 0 H LEU A 52 -2.365 4.211 7.771 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.429 5.942 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.123 6.308 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.196 7.686 8.078 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.904 7.273 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.559 7.323 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.099 8.345 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.596 6.753 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.650 5.299 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.660 4.649 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.189 4.844 5.670 1.00 0.00 H new ATOM 840 N ASN A 53 -3.342 5.951 10.415 1.00 0.00 N ATOM 841 CA ASN A 53 -3.994 6.315 11.668 1.00 0.00 C ATOM 842 C ASN A 53 -4.244 7.818 11.735 1.00 0.00 C ATOM 843 O ASN A 53 -4.075 8.440 12.784 1.00 0.00 O ATOM 844 CB ASN A 53 -3.140 5.874 12.858 1.00 0.00 C ATOM 845 CG ASN A 53 -3.956 5.710 14.126 1.00 0.00 C ATOM 846 OD1 ASN A 53 -3.979 4.495 14.661 1.00 0.00 O flip ATOM 847 ND2 ASN A 53 -4.558 6.664 14.618 1.00 0.00 N flip ATOM 0 H ASN A 53 -3.944 5.462 9.752 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.956 5.803 11.710 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.650 4.930 12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.352 6.608 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.512 7.580 14.173 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.103 6.538 15.471 1.00 0.00 H new ATOM 854 N VAL A 54 -4.647 8.397 10.608 1.00 0.00 N ATOM 855 CA VAL A 54 -4.921 9.827 10.538 1.00 0.00 C ATOM 856 C VAL A 54 -3.750 10.638 11.082 1.00 0.00 C ATOM 857 O VAL A 54 -3.932 11.533 11.906 1.00 0.00 O ATOM 858 CB VAL A 54 -6.194 10.193 11.324 1.00 0.00 C ATOM 859 CG1 VAL A 54 -6.650 11.602 10.977 1.00 0.00 C ATOM 860 CG2 VAL A 54 -7.298 9.184 11.049 1.00 0.00 C ATOM 0 H VAL A 54 -4.791 7.897 9.731 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.070 10.070 9.486 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.963 10.164 12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.551 11.842 11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.863 12.312 11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.864 11.663 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.190 9.458 11.612 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.529 9.179 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.967 8.191 11.353 1.00 0.00 H new ATOM 870 N ASN A 55 -2.548 10.319 10.613 1.00 0.00 N ATOM 871 CA ASN A 55 -1.346 11.019 11.052 1.00 0.00 C ATOM 872 C ASN A 55 -0.892 12.030 10.004 1.00 0.00 C ATOM 873 O ASN A 55 0.029 11.767 9.231 1.00 0.00 O ATOM 874 CB ASN A 55 -0.223 10.019 11.333 1.00 0.00 C ATOM 875 CG ASN A 55 0.745 10.518 12.388 1.00 0.00 C ATOM 876 OD1 ASN A 55 0.799 11.712 12.681 1.00 0.00 O ATOM 877 ND2 ASN A 55 1.516 9.603 12.964 1.00 0.00 N ATOM 0 H ASN A 55 -2.380 9.581 9.929 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.583 11.556 11.970 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.656 9.073 11.659 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.321 9.819 10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.187 9.879 13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.437 8.624 12.690 1.00 0.00 H new ATOM 884 N SER A 56 -1.544 13.188 9.985 1.00 0.00 N ATOM 885 CA SER A 56 -1.210 14.238 9.030 1.00 0.00 C ATOM 886 C SER A 56 -0.220 15.228 9.636 1.00 0.00 C ATOM 887 O SER A 56 -0.106 15.342 10.856 1.00 0.00 O ATOM 888 CB SER A 56 -2.475 14.973 8.584 1.00 0.00 C ATOM 889 OG SER A 56 -3.031 15.724 9.650 1.00 0.00 O ATOM 0 H SER A 56 -2.307 13.423 10.620 1.00 0.00 H new ATOM 0 HA SER A 56 -0.745 13.771 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.240 15.636 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.209 14.253 8.221 1.00 0.00 H new ATOM 0 HG SER A 56 -3.838 16.186 9.339 1.00 0.00 H new ATOM 895 N GLY A 57 0.496 15.943 8.773 1.00 0.00 N ATOM 896 CA GLY A 57 1.467 16.915 9.241 1.00 0.00 C ATOM 897 C GLY A 57 0.880 18.306 9.370 1.00 0.00 C ATOM 898 O GLY A 57 -0.283 18.545 9.044 1.00 0.00 O ATOM 0 H GLY A 57 0.421 15.866 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.857 16.598 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.310 16.943 8.551 1.00 0.00 H new ATOM 902 N PRO A 58 1.694 19.253 9.859 1.00 0.00 N ATOM 903 CA PRO A 58 1.270 20.644 10.043 1.00 0.00 C ATOM 904 C PRO A 58 1.063 21.368 8.717 1.00 0.00 C ATOM 905 O PRO A 58 1.978 22.009 8.200 1.00 0.00 O ATOM 906 CB PRO A 58 2.432 21.270 10.819 1.00 0.00 C ATOM 907 CG PRO A 58 3.615 20.435 10.467 1.00 0.00 C ATOM 908 CD PRO A 58 3.092 19.039 10.269 1.00 0.00 C ATOM 0 HA PRO A 58 0.311 20.713 10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.583 22.311 10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.244 21.257 11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.097 20.803 9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.362 20.463 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.657 18.503 9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.157 18.452 11.185 1.00 0.00 H new ATOM 916 N SER A 59 -0.144 21.262 8.172 1.00 0.00 N ATOM 917 CA SER A 59 -0.469 21.904 6.903 1.00 0.00 C ATOM 918 C SER A 59 -1.262 23.187 7.132 1.00 0.00 C ATOM 919 O SER A 59 -2.488 23.201 7.019 1.00 0.00 O ATOM 920 CB SER A 59 -1.268 20.949 6.014 1.00 0.00 C ATOM 921 OG SER A 59 -0.427 19.963 5.440 1.00 0.00 O ATOM 0 H SER A 59 -0.913 20.738 8.589 1.00 0.00 H new ATOM 0 HA SER A 59 0.465 22.159 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.049 20.468 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.765 21.512 5.224 1.00 0.00 H new ATOM 0 HG SER A 59 -0.815 19.075 5.588 1.00 0.00 H new ATOM 927 N SER A 60 -0.553 24.264 7.454 1.00 0.00 N ATOM 928 CA SER A 60 -1.189 25.552 7.702 1.00 0.00 C ATOM 929 C SER A 60 -2.069 25.493 8.948 1.00 0.00 C ATOM 930 O SER A 60 -3.178 26.024 8.964 1.00 0.00 O ATOM 931 CB SER A 60 -2.026 25.973 6.493 1.00 0.00 C ATOM 932 OG SER A 60 -2.567 27.271 6.673 1.00 0.00 O ATOM 0 H SER A 60 0.463 24.270 7.549 1.00 0.00 H new ATOM 0 HA SER A 60 -0.404 26.290 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.408 25.955 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.834 25.257 6.339 1.00 0.00 H new ATOM 0 HG SER A 60 -3.061 27.305 7.518 1.00 0.00 H new ATOM 938 N GLY A 61 -1.563 24.840 9.991 1.00 0.00 N ATOM 939 CA GLY A 61 -2.315 24.722 11.227 1.00 0.00 C ATOM 940 C GLY A 61 -2.973 23.365 11.377 1.00 0.00 C ATOM 941 O GLY A 61 -3.125 22.862 12.491 1.00 0.00 O ATOM 0 H GLY A 61 -0.647 24.391 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.649 24.895 12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.079 25.499 11.260 1.00 0.00 H new TER 945 GLY A 61