USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= 0.472 USER MOD Set 1.2: A 65 SER OG : rot 73:sc= 0.546 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0927 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -4.21! C(o=-4.2!,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot -56:sc= 0.0509 USER MOD Single : A 30 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.091) USER MOD Single : A 31 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 95:sc= 0.13 USER MOD Single : A 35 CYS SG : rot 99:sc= -3.08! USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0557 (180deg=-0.3) USER MOD Single : A 39 MET CE :methyl -173:sc= -0.0111 (180deg=-0.124) USER MOD Single : A 44 ASN : amide:sc= -0.501 K(o=-0.5,f=0) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.464 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 68:sc= -0.207 USER MOD Single : A 58 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 134:sc= -0.681! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.743 18.295 -24.603 1.00 0.00 N ATOM 2 CA GLY A 1 -34.299 18.433 -24.658 1.00 0.00 C ATOM 3 C GLY A 1 -33.641 18.174 -23.318 1.00 0.00 C ATOM 4 O GLY A 1 -34.302 17.771 -22.361 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.047 17.560 -25.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.030 18.026 -23.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.188 19.200 -24.856 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.899 17.738 -25.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.046 19.438 -24.996 1.00 0.00 H new ATOM 8 N SER A 2 -32.334 18.406 -23.248 1.00 0.00 N ATOM 9 CA SER A 2 -31.584 18.191 -22.016 1.00 0.00 C ATOM 10 C SER A 2 -31.566 16.712 -21.642 1.00 0.00 C ATOM 11 O SER A 2 -32.570 16.013 -21.780 1.00 0.00 O ATOM 12 CB SER A 2 -32.191 19.009 -20.875 1.00 0.00 C ATOM 13 OG SER A 2 -31.293 19.107 -19.783 1.00 0.00 O ATOM 0 H SER A 2 -31.773 18.743 -24.030 1.00 0.00 H new ATOM 0 HA SER A 2 -30.558 18.519 -22.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.443 20.007 -21.233 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.120 18.545 -20.545 1.00 0.00 H new ATOM 0 HG SER A 2 -31.704 19.636 -19.068 1.00 0.00 H new ATOM 19 N SER A 3 -30.417 16.241 -21.168 1.00 0.00 N ATOM 20 CA SER A 3 -30.266 14.845 -20.777 1.00 0.00 C ATOM 21 C SER A 3 -28.992 14.643 -19.963 1.00 0.00 C ATOM 22 O SER A 3 -28.073 15.460 -20.014 1.00 0.00 O ATOM 23 CB SER A 3 -30.240 13.947 -22.016 1.00 0.00 C ATOM 24 OG SER A 3 -29.246 14.370 -22.933 1.00 0.00 O ATOM 0 H SER A 3 -29.577 16.806 -21.046 1.00 0.00 H new ATOM 0 HA SER A 3 -31.120 14.573 -20.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.049 12.916 -21.718 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.216 13.963 -22.501 1.00 0.00 H new ATOM 0 HG SER A 3 -29.249 13.779 -23.715 1.00 0.00 H new ATOM 30 N GLY A 4 -28.944 13.548 -19.210 1.00 0.00 N ATOM 31 CA GLY A 4 -27.780 13.257 -18.395 1.00 0.00 C ATOM 32 C GLY A 4 -27.917 11.957 -17.629 1.00 0.00 C ATOM 33 O GLY A 4 -28.806 11.814 -16.790 1.00 0.00 O ATOM 0 H GLY A 4 -29.692 12.857 -19.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.897 13.208 -19.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.620 14.074 -17.692 1.00 0.00 H new ATOM 37 N SER A 5 -27.037 11.004 -17.920 1.00 0.00 N ATOM 38 CA SER A 5 -27.068 9.706 -17.256 1.00 0.00 C ATOM 39 C SER A 5 -25.745 9.426 -16.549 1.00 0.00 C ATOM 40 O SER A 5 -24.676 9.789 -17.040 1.00 0.00 O ATOM 41 CB SER A 5 -27.361 8.599 -18.270 1.00 0.00 C ATOM 42 OG SER A 5 -27.949 7.474 -17.640 1.00 0.00 O ATOM 0 H SER A 5 -26.294 11.106 -18.611 1.00 0.00 H new ATOM 0 HA SER A 5 -27.862 9.726 -16.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.029 8.977 -19.043 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.437 8.301 -18.765 1.00 0.00 H new ATOM 0 HG SER A 5 -28.128 6.781 -18.309 1.00 0.00 H new ATOM 48 N SER A 6 -25.826 8.778 -15.391 1.00 0.00 N ATOM 49 CA SER A 6 -24.637 8.452 -14.612 1.00 0.00 C ATOM 50 C SER A 6 -24.746 7.053 -14.015 1.00 0.00 C ATOM 51 O SER A 6 -25.828 6.469 -13.965 1.00 0.00 O ATOM 52 CB SER A 6 -24.433 9.481 -13.498 1.00 0.00 C ATOM 53 OG SER A 6 -23.192 10.150 -13.643 1.00 0.00 O ATOM 0 H SER A 6 -26.703 8.468 -14.972 1.00 0.00 H new ATOM 0 HA SER A 6 -23.776 8.476 -15.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.246 10.207 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.471 8.984 -12.528 1.00 0.00 H new ATOM 0 HG SER A 6 -23.086 10.803 -12.920 1.00 0.00 H new ATOM 59 N GLY A 7 -23.615 6.520 -13.561 1.00 0.00 N ATOM 60 CA GLY A 7 -23.604 5.194 -12.973 1.00 0.00 C ATOM 61 C GLY A 7 -22.701 5.106 -11.758 1.00 0.00 C ATOM 62 O GLY A 7 -21.869 5.984 -11.530 1.00 0.00 O ATOM 0 H GLY A 7 -22.707 6.983 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.619 4.918 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.275 4.471 -13.720 1.00 0.00 H new ATOM 66 N ARG A 8 -22.867 4.045 -10.975 1.00 0.00 N ATOM 67 CA ARG A 8 -22.063 3.848 -9.775 1.00 0.00 C ATOM 68 C ARG A 8 -21.739 2.370 -9.575 1.00 0.00 C ATOM 69 O ARG A 8 -22.390 1.497 -10.149 1.00 0.00 O ATOM 70 CB ARG A 8 -22.796 4.391 -8.548 1.00 0.00 C ATOM 71 CG ARG A 8 -22.120 5.598 -7.919 1.00 0.00 C ATOM 72 CD ARG A 8 -23.075 6.366 -7.019 1.00 0.00 C ATOM 73 NE ARG A 8 -22.383 7.000 -5.899 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.009 7.537 -4.858 1.00 0.00 C ATOM 75 NH1 ARG A 8 -24.333 7.517 -4.793 1.00 0.00 N ATOM 76 NH2 ARG A 8 -22.309 8.095 -3.878 1.00 0.00 N ATOM 0 H ARG A 8 -23.551 3.309 -11.150 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.128 4.394 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.812 4.662 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.874 3.600 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.256 5.272 -7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.748 6.257 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.591 7.127 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -23.837 5.687 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.364 7.032 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.874 7.088 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.811 7.930 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.290 8.111 -3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.790 8.507 -3.079 1.00 0.00 H new ATOM 90 N LYS A 9 -20.728 2.097 -8.756 1.00 0.00 N ATOM 91 CA LYS A 9 -20.317 0.726 -8.478 1.00 0.00 C ATOM 92 C LYS A 9 -20.885 0.248 -7.146 1.00 0.00 C ATOM 93 O LYS A 9 -21.251 1.041 -6.279 1.00 0.00 O ATOM 94 CB LYS A 9 -18.790 0.623 -8.461 1.00 0.00 C ATOM 95 CG LYS A 9 -18.175 0.474 -9.842 1.00 0.00 C ATOM 96 CD LYS A 9 -17.353 1.694 -10.221 1.00 0.00 C ATOM 97 CE LYS A 9 -17.672 2.165 -11.631 1.00 0.00 C ATOM 98 NZ LYS A 9 -17.052 1.288 -12.663 1.00 0.00 N ATOM 0 H LYS A 9 -20.178 2.808 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.709 0.088 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.379 1.513 -7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.499 -0.230 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.543 -0.414 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.964 0.323 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.549 2.500 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.292 1.456 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.753 2.183 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.316 3.187 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.293 1.643 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.019 1.290 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.411 0.318 -12.555 1.00 0.00 H new ATOM 112 N PRO A 10 -20.959 -1.081 -6.976 1.00 0.00 N ATOM 113 CA PRO A 10 -21.479 -1.694 -5.751 1.00 0.00 C ATOM 114 C PRO A 10 -20.545 -1.497 -4.562 1.00 0.00 C ATOM 115 O PRO A 10 -19.346 -1.265 -4.716 1.00 0.00 O ATOM 116 CB PRO A 10 -21.579 -3.179 -6.112 1.00 0.00 C ATOM 117 CG PRO A 10 -20.571 -3.374 -7.192 1.00 0.00 C ATOM 118 CD PRO A 10 -20.541 -2.086 -7.968 1.00 0.00 C ATOM 0 HA PRO A 10 -22.426 -1.251 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.364 -3.811 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.581 -3.437 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.590 -3.601 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.845 -4.211 -7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -19.546 -1.875 -8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -21.219 -2.115 -8.821 1.00 0.00 H new ATOM 126 N PRO A 11 -21.105 -1.590 -3.347 1.00 0.00 N ATOM 127 CA PRO A 11 -20.339 -1.425 -2.108 1.00 0.00 C ATOM 128 C PRO A 11 -19.378 -2.584 -1.862 1.00 0.00 C ATOM 129 O PRO A 11 -19.786 -3.708 -1.569 1.00 0.00 O ATOM 130 CB PRO A 11 -21.420 -1.388 -1.025 1.00 0.00 C ATOM 131 CG PRO A 11 -22.569 -2.135 -1.610 1.00 0.00 C ATOM 132 CD PRO A 11 -22.529 -1.864 -3.088 1.00 0.00 C ATOM 0 HA PRO A 11 -19.710 -0.535 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -21.073 -1.855 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -21.698 -0.363 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.485 -3.203 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -23.512 -1.802 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.885 -2.719 -3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.157 -1.015 -3.358 1.00 0.00 H new ATOM 140 N PRO A 12 -18.072 -2.306 -1.983 1.00 0.00 N ATOM 141 CA PRO A 12 -17.026 -3.312 -1.776 1.00 0.00 C ATOM 142 C PRO A 12 -16.902 -3.729 -0.315 1.00 0.00 C ATOM 143 O PRO A 12 -17.625 -3.228 0.547 1.00 0.00 O ATOM 144 CB PRO A 12 -15.753 -2.600 -2.239 1.00 0.00 C ATOM 145 CG PRO A 12 -16.044 -1.150 -2.063 1.00 0.00 C ATOM 146 CD PRO A 12 -17.515 -0.988 -2.330 1.00 0.00 C ATOM 0 HA PRO A 12 -17.236 -4.235 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.891 -2.905 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.524 -2.834 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.792 -0.821 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.453 -0.547 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.949 -0.195 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.708 -0.732 -3.372 1.00 0.00 H new ATOM 154 N LYS A 13 -15.982 -4.647 -0.042 1.00 0.00 N ATOM 155 CA LYS A 13 -15.761 -5.130 1.316 1.00 0.00 C ATOM 156 C LYS A 13 -14.846 -4.185 2.088 1.00 0.00 C ATOM 157 O LYS A 13 -13.806 -3.761 1.584 1.00 0.00 O ATOM 158 CB LYS A 13 -15.154 -6.535 1.287 1.00 0.00 C ATOM 159 CG LYS A 13 -16.128 -7.627 1.693 1.00 0.00 C ATOM 160 CD LYS A 13 -16.445 -8.552 0.530 1.00 0.00 C ATOM 161 CE LYS A 13 -16.461 -10.009 0.965 1.00 0.00 C ATOM 162 NZ LYS A 13 -16.338 -10.935 -0.195 1.00 0.00 N ATOM 0 H LYS A 13 -15.376 -5.072 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.725 -5.168 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.787 -6.742 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.292 -6.563 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.706 -8.206 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.049 -7.176 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.414 -8.287 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.704 -8.415 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.642 -10.189 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.387 -10.218 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.353 -11.918 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.133 -10.781 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.442 -10.753 -0.691 1.00 0.00 H new ATOM 176 N LYS A 14 -15.239 -3.859 3.315 1.00 0.00 N ATOM 177 CA LYS A 14 -14.454 -2.966 4.158 1.00 0.00 C ATOM 178 C LYS A 14 -13.689 -3.752 5.218 1.00 0.00 C ATOM 179 O LYS A 14 -14.232 -4.086 6.272 1.00 0.00 O ATOM 180 CB LYS A 14 -15.363 -1.935 4.830 1.00 0.00 C ATOM 181 CG LYS A 14 -14.642 -0.662 5.238 1.00 0.00 C ATOM 182 CD LYS A 14 -15.441 0.576 4.866 1.00 0.00 C ATOM 183 CE LYS A 14 -14.850 1.278 3.654 1.00 0.00 C ATOM 184 NZ LYS A 14 -15.241 0.611 2.381 1.00 0.00 N ATOM 0 H LYS A 14 -16.097 -4.200 3.748 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.734 -2.448 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.175 -1.680 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.817 -2.384 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.465 -0.672 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.666 -0.625 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.473 0.295 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.463 1.264 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.183 2.316 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.763 1.293 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.818 1.120 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.901 -0.372 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.277 0.619 2.289 1.00 0.00 H new ATOM 198 N LYS A 15 -12.424 -4.045 4.934 1.00 0.00 N ATOM 199 CA LYS A 15 -11.583 -4.789 5.863 1.00 0.00 C ATOM 200 C LYS A 15 -10.130 -4.793 5.398 1.00 0.00 C ATOM 201 O LYS A 15 -9.843 -4.548 4.227 1.00 0.00 O ATOM 202 CB LYS A 15 -12.089 -6.227 6.002 1.00 0.00 C ATOM 203 CG LYS A 15 -12.285 -6.666 7.443 1.00 0.00 C ATOM 204 CD LYS A 15 -13.307 -7.785 7.551 1.00 0.00 C ATOM 205 CE LYS A 15 -12.664 -9.084 8.010 1.00 0.00 C ATOM 206 NZ LYS A 15 -13.506 -10.267 7.679 1.00 0.00 N ATOM 0 H LYS A 15 -11.959 -3.778 4.066 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.634 -4.297 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.035 -6.323 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.381 -6.901 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.333 -7.001 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.610 -5.816 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.090 -7.498 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.786 -7.937 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.686 -9.191 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.498 -9.046 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.033 -11.133 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.430 -10.178 8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.644 -10.318 6.649 1.00 0.00 H new ATOM 220 N MET A 16 -9.218 -5.075 6.323 1.00 0.00 N ATOM 221 CA MET A 16 -7.795 -5.113 6.006 1.00 0.00 C ATOM 222 C MET A 16 -7.468 -6.310 5.118 1.00 0.00 C ATOM 223 O MET A 16 -8.335 -7.134 4.825 1.00 0.00 O ATOM 224 CB MET A 16 -6.966 -5.174 7.290 1.00 0.00 C ATOM 225 CG MET A 16 -6.830 -3.832 7.991 1.00 0.00 C ATOM 226 SD MET A 16 -6.731 -3.991 9.784 1.00 0.00 S ATOM 227 CE MET A 16 -4.973 -4.252 10.004 1.00 0.00 C ATOM 0 H MET A 16 -9.439 -5.280 7.297 1.00 0.00 H new ATOM 0 HA MET A 16 -7.544 -4.201 5.464 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.424 -5.887 7.975 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.972 -5.553 7.053 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.937 -3.325 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.682 -3.204 7.733 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.752 -4.368 11.065 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.669 -5.152 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.426 -3.395 9.612 1.00 0.00 H new ATOM 237 N THR A 17 -6.212 -6.399 4.692 1.00 0.00 N ATOM 238 CA THR A 17 -5.771 -7.494 3.837 1.00 0.00 C ATOM 239 C THR A 17 -5.254 -8.665 4.665 1.00 0.00 C ATOM 240 O THR A 17 -5.532 -9.824 4.360 1.00 0.00 O ATOM 241 CB THR A 17 -4.665 -7.039 2.866 1.00 0.00 C ATOM 242 OG1 THR A 17 -3.577 -6.465 3.599 1.00 0.00 O ATOM 243 CG2 THR A 17 -5.204 -6.023 1.870 1.00 0.00 C ATOM 0 H THR A 17 -5.482 -5.726 4.925 1.00 0.00 H new ATOM 0 HA THR A 17 -6.640 -7.815 3.262 1.00 0.00 H new ATOM 0 HB THR A 17 -4.312 -7.911 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.877 -6.180 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.405 -5.716 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.013 -6.472 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.580 -5.152 2.406 1.00 0.00 H new ATOM 251 N GLY A 18 -4.501 -8.354 5.716 1.00 0.00 N ATOM 252 CA GLY A 18 -3.958 -9.392 6.572 1.00 0.00 C ATOM 253 C GLY A 18 -2.476 -9.614 6.345 1.00 0.00 C ATOM 254 O GLY A 18 -1.653 -9.292 7.203 1.00 0.00 O ATOM 0 H GLY A 18 -4.258 -7.402 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.126 -9.124 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.494 -10.324 6.392 1.00 0.00 H new ATOM 258 N THR A 19 -2.133 -10.169 5.187 1.00 0.00 N ATOM 259 CA THR A 19 -0.740 -10.437 4.850 1.00 0.00 C ATOM 260 C THR A 19 -0.014 -9.157 4.454 1.00 0.00 C ATOM 261 O THR A 19 -0.596 -8.269 3.828 1.00 0.00 O ATOM 262 CB THR A 19 -0.626 -11.456 3.700 1.00 0.00 C ATOM 263 OG1 THR A 19 -1.391 -12.627 4.006 1.00 0.00 O ATOM 264 CG2 THR A 19 0.826 -11.840 3.460 1.00 0.00 C ATOM 0 H THR A 19 -2.801 -10.442 4.466 1.00 0.00 H new ATOM 0 HA THR A 19 -0.274 -10.854 5.742 1.00 0.00 H new ATOM 0 HB THR A 19 -1.017 -10.994 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.315 -13.269 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.882 -12.560 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.399 -10.950 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.239 -12.285 4.365 1.00 0.00 H new ATOM 272 N LEU A 20 1.259 -9.067 4.820 1.00 0.00 N ATOM 273 CA LEU A 20 2.066 -7.894 4.502 1.00 0.00 C ATOM 274 C LEU A 20 2.646 -7.997 3.095 1.00 0.00 C ATOM 275 O LEU A 20 3.786 -8.421 2.913 1.00 0.00 O ATOM 276 CB LEU A 20 3.196 -7.736 5.521 1.00 0.00 C ATOM 277 CG LEU A 20 3.640 -6.302 5.813 1.00 0.00 C ATOM 278 CD1 LEU A 20 4.536 -6.261 7.042 1.00 0.00 C ATOM 279 CD2 LEU A 20 4.357 -5.709 4.609 1.00 0.00 C ATOM 0 H LEU A 20 1.755 -9.792 5.338 1.00 0.00 H new ATOM 0 HA LEU A 20 1.420 -7.017 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.881 -8.195 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.060 -8.298 5.166 1.00 0.00 H new ATOM 0 HG LEU A 20 2.753 -5.702 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.842 -5.233 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.990 -6.644 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.419 -6.876 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.665 -4.688 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.236 -6.310 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.684 -5.703 3.752 1.00 0.00 H new ATOM 291 N GLU A 21 1.852 -7.605 2.103 1.00 0.00 N ATOM 292 CA GLU A 21 2.287 -7.653 0.712 1.00 0.00 C ATOM 293 C GLU A 21 2.478 -6.246 0.153 1.00 0.00 C ATOM 294 O GLU A 21 1.815 -5.300 0.580 1.00 0.00 O ATOM 295 CB GLU A 21 1.271 -8.418 -0.138 1.00 0.00 C ATOM 296 CG GLU A 21 -0.107 -7.779 -0.161 1.00 0.00 C ATOM 297 CD GLU A 21 -1.205 -8.770 -0.498 1.00 0.00 C ATOM 298 OE1 GLU A 21 -1.233 -9.253 -1.649 1.00 0.00 O ATOM 299 OE2 GLU A 21 -2.034 -9.062 0.388 1.00 0.00 O ATOM 0 H GLU A 21 0.905 -7.251 2.237 1.00 0.00 H new ATOM 0 HA GLU A 21 3.244 -8.173 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.646 -8.491 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.184 -9.436 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.312 -7.332 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.116 -6.970 -0.892 1.00 0.00 H new ATOM 306 N THR A 22 3.389 -6.115 -0.806 1.00 0.00 N ATOM 307 CA THR A 22 3.669 -4.825 -1.423 1.00 0.00 C ATOM 308 C THR A 22 2.692 -4.534 -2.557 1.00 0.00 C ATOM 309 O THR A 22 3.065 -3.950 -3.574 1.00 0.00 O ATOM 310 CB THR A 22 5.107 -4.764 -1.972 1.00 0.00 C ATOM 311 OG1 THR A 22 5.292 -5.771 -2.974 1.00 0.00 O ATOM 312 CG2 THR A 22 6.121 -4.962 -0.855 1.00 0.00 C ATOM 0 H THR A 22 3.946 -6.887 -1.172 1.00 0.00 H new ATOM 0 HA THR A 22 3.553 -4.071 -0.644 1.00 0.00 H new ATOM 0 HB THR A 22 5.263 -3.780 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.208 -5.725 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.129 -4.915 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.997 -4.178 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.964 -5.935 -0.389 1.00 0.00 H new ATOM 320 N GLN A 23 1.441 -4.945 -2.374 1.00 0.00 N ATOM 321 CA GLN A 23 0.411 -4.727 -3.383 1.00 0.00 C ATOM 322 C GLN A 23 -0.854 -4.153 -2.754 1.00 0.00 C ATOM 323 O GLN A 23 -1.145 -4.400 -1.584 1.00 0.00 O ATOM 324 CB GLN A 23 0.088 -6.038 -4.103 1.00 0.00 C ATOM 325 CG GLN A 23 -1.027 -5.910 -5.128 1.00 0.00 C ATOM 326 CD GLN A 23 -2.347 -6.459 -4.626 1.00 0.00 C ATOM 327 OE1 GLN A 23 -3.359 -5.757 -4.610 1.00 0.00 O ATOM 328 NE2 GLN A 23 -2.345 -7.721 -4.212 1.00 0.00 N ATOM 0 H GLN A 23 1.117 -5.430 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 23 0.793 -4.007 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.987 -6.401 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.193 -6.789 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.152 -4.860 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.741 -6.437 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.484 -8.266 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.205 -8.145 -3.863 1.00 0.00 H new ATOM 337 N PHE A 24 -1.603 -3.386 -3.539 1.00 0.00 N ATOM 338 CA PHE A 24 -2.837 -2.775 -3.059 1.00 0.00 C ATOM 339 C PHE A 24 -3.770 -2.448 -4.221 1.00 0.00 C ATOM 340 O PHE A 24 -3.391 -2.558 -5.388 1.00 0.00 O ATOM 341 CB PHE A 24 -2.527 -1.504 -2.265 1.00 0.00 C ATOM 342 CG PHE A 24 -1.534 -1.716 -1.159 1.00 0.00 C ATOM 343 CD1 PHE A 24 -0.187 -1.877 -1.440 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.947 -1.753 0.163 1.00 0.00 C ATOM 345 CE1 PHE A 24 0.729 -2.073 -0.423 1.00 0.00 C ATOM 346 CE2 PHE A 24 -1.036 -1.948 1.184 1.00 0.00 C ATOM 347 CZ PHE A 24 0.304 -2.107 0.890 1.00 0.00 C ATOM 0 H PHE A 24 -1.377 -3.173 -4.511 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.337 -3.490 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.144 -0.744 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.453 -1.115 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.151 -1.849 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.994 -1.628 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.776 -2.199 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.372 -1.976 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.018 -2.258 1.686 1.00 0.00 H new ATOM 357 N THR A 25 -4.994 -2.044 -3.894 1.00 0.00 N ATOM 358 CA THR A 25 -5.983 -1.702 -4.909 1.00 0.00 C ATOM 359 C THR A 25 -5.874 -0.236 -5.310 1.00 0.00 C ATOM 360 O THR A 25 -5.485 0.611 -4.505 1.00 0.00 O ATOM 361 CB THR A 25 -7.415 -1.984 -4.415 1.00 0.00 C ATOM 362 OG1 THR A 25 -7.433 -3.170 -3.614 1.00 0.00 O ATOM 363 CG2 THR A 25 -8.370 -2.143 -5.589 1.00 0.00 C ATOM 0 H THR A 25 -5.324 -1.946 -2.934 1.00 0.00 H new ATOM 0 HA THR A 25 -5.776 -2.329 -5.777 1.00 0.00 H new ATOM 0 HB THR A 25 -7.742 -1.136 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.063 -3.918 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.375 -2.341 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.376 -1.227 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.044 -2.975 -6.213 1.00 0.00 H new ATOM 371 N CYS A 26 -6.221 0.058 -6.559 1.00 0.00 N ATOM 372 CA CYS A 26 -6.163 1.423 -7.067 1.00 0.00 C ATOM 373 C CYS A 26 -7.516 2.114 -6.926 1.00 0.00 C ATOM 374 O CYS A 26 -8.502 1.740 -7.562 1.00 0.00 O ATOM 375 CB CYS A 26 -5.727 1.425 -8.534 1.00 0.00 C ATOM 376 SG CYS A 26 -5.474 3.089 -9.232 1.00 0.00 S ATOM 0 H CYS A 26 -6.545 -0.631 -7.238 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.431 1.973 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.800 0.859 -8.627 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.480 0.905 -9.126 1.00 0.00 H new ATOM 381 N PRO A 27 -7.567 3.148 -6.074 1.00 0.00 N ATOM 382 CA PRO A 27 -8.792 3.914 -5.830 1.00 0.00 C ATOM 383 C PRO A 27 -9.197 4.760 -7.032 1.00 0.00 C ATOM 384 O PRO A 27 -10.208 5.462 -6.999 1.00 0.00 O ATOM 385 CB PRO A 27 -8.421 4.811 -4.646 1.00 0.00 C ATOM 386 CG PRO A 27 -6.940 4.952 -4.728 1.00 0.00 C ATOM 387 CD PRO A 27 -6.430 3.650 -5.282 1.00 0.00 C ATOM 0 HA PRO A 27 -9.646 3.264 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.915 5.780 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.724 4.363 -3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.663 5.786 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.512 5.152 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.543 3.796 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.155 2.955 -4.488 1.00 0.00 H new ATOM 395 N PHE A 28 -8.402 4.688 -8.095 1.00 0.00 N ATOM 396 CA PHE A 28 -8.677 5.447 -9.309 1.00 0.00 C ATOM 397 C PHE A 28 -9.485 4.615 -10.300 1.00 0.00 C ATOM 398 O PHE A 28 -10.589 4.992 -10.691 1.00 0.00 O ATOM 399 CB PHE A 28 -7.369 5.906 -9.957 1.00 0.00 C ATOM 400 CG PHE A 28 -6.519 6.755 -9.055 1.00 0.00 C ATOM 401 CD1 PHE A 28 -5.931 6.214 -7.924 1.00 0.00 C ATOM 402 CD2 PHE A 28 -6.309 8.095 -9.340 1.00 0.00 C ATOM 403 CE1 PHE A 28 -5.147 6.992 -7.093 1.00 0.00 C ATOM 404 CE2 PHE A 28 -5.526 8.878 -8.512 1.00 0.00 C ATOM 405 CZ PHE A 28 -4.946 8.326 -7.387 1.00 0.00 C ATOM 0 H PHE A 28 -7.562 4.111 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.265 6.323 -9.034 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.797 5.030 -10.263 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.599 6.469 -10.862 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.087 5.172 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.762 8.532 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.692 6.557 -6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.368 9.921 -8.745 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.336 8.937 -6.738 1.00 0.00 H new ATOM 415 N CYS A 29 -8.925 3.479 -10.703 1.00 0.00 N ATOM 416 CA CYS A 29 -9.590 2.592 -11.650 1.00 0.00 C ATOM 417 C CYS A 29 -10.242 1.417 -10.927 1.00 0.00 C ATOM 418 O CYS A 29 -11.110 0.740 -11.478 1.00 0.00 O ATOM 419 CB CYS A 29 -8.590 2.076 -12.686 1.00 0.00 C ATOM 420 SG CYS A 29 -7.123 1.269 -11.968 1.00 0.00 S ATOM 0 H CYS A 29 -8.012 3.151 -10.388 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.368 3.161 -12.159 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.096 1.368 -13.342 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.265 2.910 -13.308 1.00 0.00 H new ATOM 425 N ASN A 30 -9.818 1.181 -9.690 1.00 0.00 N ATOM 426 CA ASN A 30 -10.361 0.087 -8.891 1.00 0.00 C ATOM 427 C ASN A 30 -10.064 -1.261 -9.542 1.00 0.00 C ATOM 428 O ASN A 30 -10.957 -1.908 -10.089 1.00 0.00 O ATOM 429 CB ASN A 30 -11.870 0.259 -8.713 1.00 0.00 C ATOM 430 CG ASN A 30 -12.216 1.392 -7.766 1.00 0.00 C ATOM 431 OD1 ASN A 30 -12.959 1.206 -6.803 1.00 0.00 O ATOM 432 ND2 ASN A 30 -11.675 2.574 -8.036 1.00 0.00 N ATOM 0 H ASN A 30 -9.101 1.732 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.882 0.111 -7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.328 0.448 -9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.297 -0.670 -8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.870 3.374 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.064 2.682 -8.846 1.00 0.00 H new ATOM 439 N HIS A 31 -8.804 -1.678 -9.478 1.00 0.00 N ATOM 440 CA HIS A 31 -8.389 -2.950 -10.059 1.00 0.00 C ATOM 441 C HIS A 31 -7.503 -3.727 -9.090 1.00 0.00 C ATOM 442 O HIS A 31 -6.283 -3.568 -9.087 1.00 0.00 O ATOM 443 CB HIS A 31 -7.644 -2.715 -11.373 1.00 0.00 C ATOM 444 CG HIS A 31 -8.527 -2.773 -12.582 1.00 0.00 C ATOM 445 ND1 HIS A 31 -8.431 -3.762 -13.538 1.00 0.00 N ATOM 446 CD2 HIS A 31 -9.530 -1.958 -12.985 1.00 0.00 C ATOM 447 CE1 HIS A 31 -9.334 -3.552 -14.478 1.00 0.00 C ATOM 448 NE2 HIS A 31 -10.015 -2.464 -14.166 1.00 0.00 N ATOM 0 H HIS A 31 -8.052 -1.154 -9.030 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.284 -3.540 -10.258 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.157 -1.741 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.856 -3.462 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.883 -1.075 -12.473 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.489 -4.165 -15.353 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.777 -2.065 -14.713 1.00 0.00 H new ATOM 456 N GLU A 32 -8.126 -4.567 -8.270 1.00 0.00 N ATOM 457 CA GLU A 32 -7.393 -5.367 -7.295 1.00 0.00 C ATOM 458 C GLU A 32 -6.149 -5.987 -7.926 1.00 0.00 C ATOM 459 O GLU A 32 -6.166 -6.394 -9.088 1.00 0.00 O ATOM 460 CB GLU A 32 -8.291 -6.466 -6.725 1.00 0.00 C ATOM 461 CG GLU A 32 -7.534 -7.530 -5.949 1.00 0.00 C ATOM 462 CD GLU A 32 -7.185 -7.088 -4.541 1.00 0.00 C ATOM 463 OE1 GLU A 32 -6.441 -6.095 -4.399 1.00 0.00 O ATOM 464 OE2 GLU A 32 -7.656 -7.734 -3.582 1.00 0.00 O ATOM 0 H GLU A 32 -9.136 -4.711 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.079 -4.709 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.035 -6.012 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.833 -6.941 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.136 -8.437 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.618 -7.782 -6.484 1.00 0.00 H new ATOM 471 N LYS A 33 -5.072 -6.056 -7.152 1.00 0.00 N ATOM 472 CA LYS A 33 -3.819 -6.627 -7.632 1.00 0.00 C ATOM 473 C LYS A 33 -3.325 -5.888 -8.872 1.00 0.00 C ATOM 474 O LYS A 33 -3.122 -6.492 -9.925 1.00 0.00 O ATOM 475 CB LYS A 33 -4.000 -8.113 -7.949 1.00 0.00 C ATOM 476 CG LYS A 33 -3.781 -9.021 -6.751 1.00 0.00 C ATOM 477 CD LYS A 33 -3.677 -10.479 -7.169 1.00 0.00 C ATOM 478 CE LYS A 33 -3.669 -11.405 -5.962 1.00 0.00 C ATOM 479 NZ LYS A 33 -2.598 -12.435 -6.061 1.00 0.00 N ATOM 0 H LYS A 33 -5.041 -5.723 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.073 -6.518 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.006 -8.273 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.305 -8.395 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.870 -8.725 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.604 -8.901 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.515 -10.733 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.767 -10.628 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.526 -10.818 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.638 -11.896 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.625 -13.046 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.749 -13.012 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.671 -11.967 -6.119 1.00 0.00 H new ATOM 493 N SER A 34 -3.131 -4.580 -8.738 1.00 0.00 N ATOM 494 CA SER A 34 -2.662 -3.759 -9.848 1.00 0.00 C ATOM 495 C SER A 34 -1.918 -2.529 -9.338 1.00 0.00 C ATOM 496 O SER A 34 -1.891 -1.489 -9.997 1.00 0.00 O ATOM 497 CB SER A 34 -3.840 -3.329 -10.725 1.00 0.00 C ATOM 498 OG SER A 34 -4.540 -4.455 -11.227 1.00 0.00 O ATOM 0 H SER A 34 -3.291 -4.066 -7.872 1.00 0.00 H new ATOM 0 HA SER A 34 -1.973 -4.357 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.519 -2.703 -10.146 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.477 -2.723 -11.555 1.00 0.00 H new ATOM 0 HG SER A 34 -5.296 -4.660 -10.638 1.00 0.00 H new ATOM 504 N CYS A 35 -1.314 -2.657 -8.162 1.00 0.00 N ATOM 505 CA CYS A 35 -0.569 -1.556 -7.561 1.00 0.00 C ATOM 506 C CYS A 35 0.687 -2.066 -6.864 1.00 0.00 C ATOM 507 O CYS A 35 0.617 -2.934 -5.993 1.00 0.00 O ATOM 508 CB CYS A 35 -1.450 -0.801 -6.564 1.00 0.00 C ATOM 509 SG CYS A 35 -3.110 -0.433 -7.177 1.00 0.00 S ATOM 0 H CYS A 35 -1.325 -3.512 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.269 -0.875 -8.358 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.534 -1.390 -5.651 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.958 0.134 -6.296 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.949 -1.311 -6.712 1.00 0.00 H new ATOM 515 N ASP A 36 1.835 -1.523 -7.253 1.00 0.00 N ATOM 516 CA ASP A 36 3.109 -1.924 -6.666 1.00 0.00 C ATOM 517 C ASP A 36 3.738 -0.769 -5.893 1.00 0.00 C ATOM 518 O ASP A 36 3.836 0.349 -6.398 1.00 0.00 O ATOM 519 CB ASP A 36 4.067 -2.408 -7.755 1.00 0.00 C ATOM 520 CG ASP A 36 5.378 -2.917 -7.188 1.00 0.00 C ATOM 521 OD1 ASP A 36 6.271 -2.086 -6.921 1.00 0.00 O ATOM 522 OD2 ASP A 36 5.511 -4.147 -7.012 1.00 0.00 O ATOM 0 H ASP A 36 1.910 -0.804 -7.972 1.00 0.00 H new ATOM 0 HA ASP A 36 2.920 -2.742 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.589 -3.203 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.267 -1.591 -8.448 1.00 0.00 H new ATOM 527 N VAL A 37 4.162 -1.047 -4.664 1.00 0.00 N ATOM 528 CA VAL A 37 4.782 -0.032 -3.822 1.00 0.00 C ATOM 529 C VAL A 37 6.299 -0.183 -3.804 1.00 0.00 C ATOM 530 O VAL A 37 6.830 -1.172 -3.298 1.00 0.00 O ATOM 531 CB VAL A 37 4.254 -0.103 -2.377 1.00 0.00 C ATOM 532 CG1 VAL A 37 4.973 0.907 -1.495 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.751 0.128 -2.348 1.00 0.00 C ATOM 0 H VAL A 37 4.087 -1.967 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 37 4.521 0.936 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 37 4.454 -1.100 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.587 0.842 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.041 0.692 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.807 1.912 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.394 0.074 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.526 1.112 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.254 -0.637 -2.945 1.00 0.00 H new ATOM 543 N LYS A 38 6.993 0.804 -4.361 1.00 0.00 N ATOM 544 CA LYS A 38 8.450 0.783 -4.408 1.00 0.00 C ATOM 545 C LYS A 38 9.043 1.667 -3.316 1.00 0.00 C ATOM 546 O LYS A 38 9.129 2.885 -3.469 1.00 0.00 O ATOM 547 CB LYS A 38 8.943 1.249 -5.780 1.00 0.00 C ATOM 548 CG LYS A 38 9.670 0.171 -6.564 1.00 0.00 C ATOM 549 CD LYS A 38 10.338 0.738 -7.806 1.00 0.00 C ATOM 550 CE LYS A 38 10.875 -0.366 -8.704 1.00 0.00 C ATOM 551 NZ LYS A 38 9.779 -1.189 -9.286 1.00 0.00 N ATOM 0 H LYS A 38 6.569 1.629 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 38 8.779 -0.242 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.091 1.598 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.609 2.101 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.421 -0.298 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.965 -0.608 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.622 1.344 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.154 1.398 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.465 0.074 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.545 -1.007 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.139 -1.717 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.430 -1.858 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.001 -0.568 -9.588 1.00 0.00 H new ATOM 565 N MET A 39 9.453 1.046 -2.215 1.00 0.00 N ATOM 566 CA MET A 39 10.041 1.777 -1.099 1.00 0.00 C ATOM 567 C MET A 39 11.506 2.102 -1.373 1.00 0.00 C ATOM 568 O MET A 39 12.348 1.206 -1.439 1.00 0.00 O ATOM 569 CB MET A 39 9.919 0.965 0.192 1.00 0.00 C ATOM 570 CG MET A 39 8.508 0.469 0.467 1.00 0.00 C ATOM 571 SD MET A 39 7.382 1.799 0.930 1.00 0.00 S ATOM 572 CE MET A 39 7.568 1.794 2.712 1.00 0.00 C ATOM 0 H MET A 39 9.389 0.038 -2.072 1.00 0.00 H new ATOM 0 HA MET A 39 9.495 2.713 -0.983 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.592 0.109 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.249 1.579 1.030 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.124 -0.034 -0.421 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.537 -0.272 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.843 2.477 3.155 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.398 0.787 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.576 2.115 2.973 1.00 0.00 H new ATOM 582 N ASP A 40 11.803 3.387 -1.531 1.00 0.00 N ATOM 583 CA ASP A 40 13.166 3.829 -1.797 1.00 0.00 C ATOM 584 C ASP A 40 13.807 4.404 -0.537 1.00 0.00 C ATOM 585 O ASP A 40 13.508 5.529 -0.135 1.00 0.00 O ATOM 586 CB ASP A 40 13.178 4.876 -2.912 1.00 0.00 C ATOM 587 CG ASP A 40 14.540 5.015 -3.562 1.00 0.00 C ATOM 588 OD1 ASP A 40 15.209 3.980 -3.767 1.00 0.00 O ATOM 589 OD2 ASP A 40 14.938 6.159 -3.866 1.00 0.00 O ATOM 0 H ASP A 40 11.118 4.141 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 40 13.746 2.963 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.443 4.604 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.873 5.840 -2.504 1.00 0.00 H new ATOM 594 N ARG A 41 14.686 3.624 0.082 1.00 0.00 N ATOM 595 CA ARG A 41 15.367 4.055 1.298 1.00 0.00 C ATOM 596 C ARG A 41 16.391 5.143 0.991 1.00 0.00 C ATOM 597 O ARG A 41 16.548 6.095 1.755 1.00 0.00 O ATOM 598 CB ARG A 41 16.056 2.866 1.970 1.00 0.00 C ATOM 599 CG ARG A 41 15.088 1.875 2.596 1.00 0.00 C ATOM 600 CD ARG A 41 14.735 2.267 4.023 1.00 0.00 C ATOM 601 NE ARG A 41 15.742 1.815 4.979 1.00 0.00 N ATOM 602 CZ ARG A 41 16.748 2.574 5.401 1.00 0.00 C ATOM 603 NH1 ARG A 41 16.879 3.815 4.954 1.00 0.00 N ATOM 604 NH2 ARG A 41 17.624 2.092 6.273 1.00 0.00 N ATOM 0 H ARG A 41 14.944 2.690 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 41 14.620 4.465 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.668 2.347 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.732 3.237 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.179 1.824 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.531 0.879 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.635 3.350 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.767 1.841 4.287 1.00 0.00 H new ATOM 0 HE ARG A 41 15.669 0.865 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.207 4.190 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.652 4.395 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.526 1.138 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.396 2.675 6.596 1.00 0.00 H new ATOM 618 N ALA A 42 17.086 4.995 -0.132 1.00 0.00 N ATOM 619 CA ALA A 42 18.094 5.965 -0.541 1.00 0.00 C ATOM 620 C ALA A 42 17.575 7.392 -0.392 1.00 0.00 C ATOM 621 O ALA A 42 18.280 8.270 0.105 1.00 0.00 O ATOM 622 CB ALA A 42 18.525 5.706 -1.977 1.00 0.00 C ATOM 0 H ALA A 42 16.969 4.212 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 42 18.959 5.850 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.278 6.438 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.944 4.703 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.662 5.791 -2.637 1.00 0.00 H new ATOM 628 N ARG A 43 16.339 7.615 -0.825 1.00 0.00 N ATOM 629 CA ARG A 43 15.726 8.936 -0.741 1.00 0.00 C ATOM 630 C ARG A 43 14.579 8.940 0.264 1.00 0.00 C ATOM 631 O ARG A 43 13.788 9.881 0.315 1.00 0.00 O ATOM 632 CB ARG A 43 15.216 9.373 -2.116 1.00 0.00 C ATOM 633 CG ARG A 43 16.242 9.213 -3.225 1.00 0.00 C ATOM 634 CD ARG A 43 16.864 10.547 -3.606 1.00 0.00 C ATOM 635 NE ARG A 43 17.337 10.557 -4.988 1.00 0.00 N ATOM 636 CZ ARG A 43 18.531 10.107 -5.359 1.00 0.00 C ATOM 637 NH1 ARG A 43 19.368 9.615 -4.456 1.00 0.00 N ATOM 638 NH2 ARG A 43 18.889 10.149 -6.636 1.00 0.00 N ATOM 0 H ARG A 43 15.742 6.898 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 43 16.485 9.641 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.329 8.791 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.909 10.417 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 43 17.023 8.525 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.767 8.769 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.130 11.341 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.697 10.763 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 43 16.717 10.930 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 43 19.096 9.581 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 43 20.284 9.270 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.248 10.527 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.806 9.803 -6.920 1.00 0.00 H new ATOM 652 N ASN A 44 14.494 7.880 1.063 1.00 0.00 N ATOM 653 CA ASN A 44 13.443 7.762 2.066 1.00 0.00 C ATOM 654 C ASN A 44 12.105 8.241 1.511 1.00 0.00 C ATOM 655 O ASN A 44 11.357 8.949 2.187 1.00 0.00 O ATOM 656 CB ASN A 44 13.807 8.567 3.315 1.00 0.00 C ATOM 657 CG ASN A 44 14.961 7.951 4.083 1.00 0.00 C ATOM 658 OD1 ASN A 44 16.111 8.367 3.937 1.00 0.00 O ATOM 659 ND2 ASN A 44 14.658 6.955 4.907 1.00 0.00 N ATOM 0 H ASN A 44 15.140 7.092 1.035 1.00 0.00 H new ATOM 0 HA ASN A 44 13.349 6.710 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.069 9.584 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.936 8.636 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.392 6.502 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.691 6.643 4.996 1.00 0.00 H new ATOM 666 N THR A 45 11.808 7.849 0.276 1.00 0.00 N ATOM 667 CA THR A 45 10.561 8.238 -0.371 1.00 0.00 C ATOM 668 C THR A 45 9.934 7.061 -1.109 1.00 0.00 C ATOM 669 O THR A 45 10.552 6.470 -1.994 1.00 0.00 O ATOM 670 CB THR A 45 10.780 9.394 -1.364 1.00 0.00 C ATOM 671 OG1 THR A 45 11.064 10.604 -0.652 1.00 0.00 O ATOM 672 CG2 THR A 45 9.555 9.592 -2.243 1.00 0.00 C ATOM 0 H THR A 45 12.415 7.262 -0.297 1.00 0.00 H new ATOM 0 HA THR A 45 9.886 8.570 0.418 1.00 0.00 H new ATOM 0 HB THR A 45 11.627 9.141 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.949 10.539 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.734 10.414 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.359 8.679 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.693 9.825 -1.618 1.00 0.00 H new ATOM 680 N GLY A 46 8.702 6.725 -0.740 1.00 0.00 N ATOM 681 CA GLY A 46 8.011 5.620 -1.378 1.00 0.00 C ATOM 682 C GLY A 46 7.424 6.002 -2.722 1.00 0.00 C ATOM 683 O GLY A 46 6.924 7.113 -2.896 1.00 0.00 O ATOM 0 H GLY A 46 8.170 7.199 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.705 4.790 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.214 5.268 -0.724 1.00 0.00 H new ATOM 687 N VAL A 47 7.486 5.079 -3.677 1.00 0.00 N ATOM 688 CA VAL A 47 6.956 5.325 -5.013 1.00 0.00 C ATOM 689 C VAL A 47 5.951 4.251 -5.412 1.00 0.00 C ATOM 690 O VAL A 47 6.319 3.101 -5.655 1.00 0.00 O ATOM 691 CB VAL A 47 8.083 5.374 -6.063 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.538 5.824 -7.410 1.00 0.00 C ATOM 693 CG2 VAL A 47 9.204 6.291 -5.598 1.00 0.00 C ATOM 0 H VAL A 47 7.898 4.154 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 47 6.455 6.293 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 47 8.491 4.370 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.348 5.853 -8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.773 5.124 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.102 6.818 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.991 6.314 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.813 7.298 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.612 5.919 -4.658 1.00 0.00 H new ATOM 703 N ILE A 48 4.680 4.633 -5.479 1.00 0.00 N ATOM 704 CA ILE A 48 3.622 3.702 -5.850 1.00 0.00 C ATOM 705 C ILE A 48 3.153 3.945 -7.281 1.00 0.00 C ATOM 706 O ILE A 48 3.305 5.043 -7.817 1.00 0.00 O ATOM 707 CB ILE A 48 2.414 3.815 -4.901 1.00 0.00 C ATOM 708 CG1 ILE A 48 1.438 2.663 -5.143 1.00 0.00 C ATOM 709 CG2 ILE A 48 1.717 5.155 -5.087 1.00 0.00 C ATOM 710 CD1 ILE A 48 0.434 2.476 -4.027 1.00 0.00 C ATOM 0 H ILE A 48 4.358 5.581 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 48 4.043 2.699 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 48 2.772 3.753 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.903 2.841 -6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.003 1.740 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.866 5.219 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.416 5.962 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.369 5.244 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.225 1.642 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.960 2.267 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.157 3.385 -3.913 1.00 0.00 H new ATOM 722 N SER A 49 2.582 2.913 -7.894 1.00 0.00 N ATOM 723 CA SER A 49 2.093 3.014 -9.264 1.00 0.00 C ATOM 724 C SER A 49 0.963 2.019 -9.512 1.00 0.00 C ATOM 725 O SER A 49 0.730 1.114 -8.710 1.00 0.00 O ATOM 726 CB SER A 49 3.232 2.765 -10.255 1.00 0.00 C ATOM 727 OG SER A 49 3.481 1.379 -10.408 1.00 0.00 O ATOM 0 H SER A 49 2.447 1.998 -7.464 1.00 0.00 H new ATOM 0 HA SER A 49 1.706 4.022 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.979 3.201 -11.221 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.137 3.264 -9.907 1.00 0.00 H new ATOM 0 HG SER A 49 4.212 1.247 -11.047 1.00 0.00 H new ATOM 733 N CYS A 50 0.263 2.193 -10.628 1.00 0.00 N ATOM 734 CA CYS A 50 -0.843 1.313 -10.983 1.00 0.00 C ATOM 735 C CYS A 50 -0.494 0.465 -12.203 1.00 0.00 C ATOM 736 O CYS A 50 0.463 0.755 -12.922 1.00 0.00 O ATOM 737 CB CYS A 50 -2.105 2.132 -11.262 1.00 0.00 C ATOM 738 SG CYS A 50 -3.602 1.126 -11.520 1.00 0.00 S ATOM 0 H CYS A 50 0.443 2.937 -11.303 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.029 0.647 -10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.276 2.812 -10.427 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.938 2.748 -12.145 1.00 0.00 H new ATOM 743 N THR A 51 -1.277 -0.584 -12.432 1.00 0.00 N ATOM 744 CA THR A 51 -1.051 -1.475 -13.563 1.00 0.00 C ATOM 745 C THR A 51 -2.324 -1.658 -14.382 1.00 0.00 C ATOM 746 O THR A 51 -2.653 -2.769 -14.796 1.00 0.00 O ATOM 747 CB THR A 51 -0.549 -2.856 -13.100 1.00 0.00 C ATOM 748 OG1 THR A 51 -1.652 -3.654 -12.657 1.00 0.00 O ATOM 749 CG2 THR A 51 0.465 -2.713 -11.975 1.00 0.00 C ATOM 0 H THR A 51 -2.074 -0.838 -11.849 1.00 0.00 H new ATOM 0 HA THR A 51 -0.286 -1.009 -14.184 1.00 0.00 H new ATOM 0 HB THR A 51 -0.064 -3.345 -13.945 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.223 -3.876 -13.422 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.805 -3.701 -11.664 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.316 -2.129 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.001 -2.207 -11.129 1.00 0.00 H new ATOM 757 N VAL A 52 -3.036 -0.559 -14.613 1.00 0.00 N ATOM 758 CA VAL A 52 -4.273 -0.598 -15.384 1.00 0.00 C ATOM 759 C VAL A 52 -4.606 0.774 -15.957 1.00 0.00 C ATOM 760 O VAL A 52 -5.031 0.893 -17.107 1.00 0.00 O ATOM 761 CB VAL A 52 -5.455 -1.085 -14.525 1.00 0.00 C ATOM 762 CG1 VAL A 52 -6.744 -1.068 -15.332 1.00 0.00 C ATOM 763 CG2 VAL A 52 -5.177 -2.477 -13.978 1.00 0.00 C ATOM 0 H VAL A 52 -2.777 0.369 -14.277 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.115 -1.301 -16.202 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.574 -0.405 -13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.568 -1.415 -14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.948 -0.052 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.641 -1.724 -16.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.022 -2.806 -13.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.031 -3.171 -14.806 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.278 -2.453 -13.362 1.00 0.00 H new ATOM 773 N CYS A 53 -4.411 1.810 -15.149 1.00 0.00 N ATOM 774 CA CYS A 53 -4.690 3.177 -15.574 1.00 0.00 C ATOM 775 C CYS A 53 -3.396 3.943 -15.829 1.00 0.00 C ATOM 776 O CYS A 53 -3.412 5.047 -16.374 1.00 0.00 O ATOM 777 CB CYS A 53 -5.526 3.901 -14.517 1.00 0.00 C ATOM 778 SG CYS A 53 -4.642 4.209 -12.954 1.00 0.00 S ATOM 0 H CYS A 53 -4.060 1.729 -14.195 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.254 3.133 -16.506 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.863 4.854 -14.925 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.418 3.311 -14.307 1.00 0.00 H new ATOM 783 N LEU A 54 -2.276 3.350 -15.430 1.00 0.00 N ATOM 784 CA LEU A 54 -0.971 3.976 -15.615 1.00 0.00 C ATOM 785 C LEU A 54 -0.829 5.209 -14.729 1.00 0.00 C ATOM 786 O LEU A 54 -0.637 6.320 -15.223 1.00 0.00 O ATOM 787 CB LEU A 54 -0.771 4.361 -17.082 1.00 0.00 C ATOM 788 CG LEU A 54 -1.102 3.280 -18.111 1.00 0.00 C ATOM 789 CD1 LEU A 54 -1.133 3.868 -19.513 1.00 0.00 C ATOM 790 CD2 LEU A 54 -0.094 2.142 -18.031 1.00 0.00 C ATOM 0 H LEU A 54 -2.245 2.437 -14.976 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.205 3.255 -15.328 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.385 5.236 -17.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.268 4.660 -17.220 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.091 2.881 -17.885 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.370 3.083 -20.231 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.893 4.648 -19.564 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.158 4.295 -19.750 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.345 1.381 -18.770 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.906 2.527 -18.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.121 1.702 -17.034 1.00 0.00 H new ATOM 802 N GLU A 55 -0.922 5.005 -13.419 1.00 0.00 N ATOM 803 CA GLU A 55 -0.802 6.101 -12.465 1.00 0.00 C ATOM 804 C GLU A 55 0.464 5.955 -11.625 1.00 0.00 C ATOM 805 O GLU A 55 1.030 4.868 -11.521 1.00 0.00 O ATOM 806 CB GLU A 55 -2.029 6.149 -11.553 1.00 0.00 C ATOM 807 CG GLU A 55 -3.168 6.989 -12.108 1.00 0.00 C ATOM 808 CD GLU A 55 -2.774 8.438 -12.321 1.00 0.00 C ATOM 809 OE1 GLU A 55 -2.332 9.081 -11.346 1.00 0.00 O ATOM 810 OE2 GLU A 55 -2.909 8.928 -13.461 1.00 0.00 O ATOM 0 H GLU A 55 -1.080 4.091 -12.994 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.739 7.033 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.386 5.133 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.734 6.548 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.500 6.564 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.015 6.943 -11.424 1.00 0.00 H new ATOM 817 N GLU A 56 0.902 7.060 -11.029 1.00 0.00 N ATOM 818 CA GLU A 56 2.102 7.055 -10.200 1.00 0.00 C ATOM 819 C GLU A 56 2.065 8.193 -9.184 1.00 0.00 C ATOM 820 O GLU A 56 1.618 9.299 -9.489 1.00 0.00 O ATOM 821 CB GLU A 56 3.352 7.177 -11.073 1.00 0.00 C ATOM 822 CG GLU A 56 4.640 7.304 -10.277 1.00 0.00 C ATOM 823 CD GLU A 56 5.729 8.032 -11.041 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.407 9.022 -11.732 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.901 7.613 -10.948 1.00 0.00 O ATOM 0 H GLU A 56 0.445 7.969 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 56 2.136 6.109 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.420 6.303 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.248 8.047 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.437 7.835 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.994 6.310 -10.006 1.00 0.00 H new ATOM 832 N PHE A 57 2.537 7.913 -7.974 1.00 0.00 N ATOM 833 CA PHE A 57 2.557 8.911 -6.911 1.00 0.00 C ATOM 834 C PHE A 57 3.738 8.682 -5.972 1.00 0.00 C ATOM 835 O PHE A 57 4.147 7.545 -5.740 1.00 0.00 O ATOM 836 CB PHE A 57 1.248 8.873 -6.121 1.00 0.00 C ATOM 837 CG PHE A 57 1.256 9.753 -4.903 1.00 0.00 C ATOM 838 CD1 PHE A 57 1.478 11.115 -5.019 1.00 0.00 C ATOM 839 CD2 PHE A 57 1.041 9.217 -3.644 1.00 0.00 C ATOM 840 CE1 PHE A 57 1.486 11.927 -3.900 1.00 0.00 C ATOM 841 CE2 PHE A 57 1.048 10.024 -2.522 1.00 0.00 C ATOM 842 CZ PHE A 57 1.270 11.381 -2.650 1.00 0.00 C ATOM 0 H PHE A 57 2.911 7.003 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 57 2.666 9.893 -7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.430 9.178 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.047 7.846 -5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.647 11.548 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.866 8.157 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.661 12.988 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.880 9.594 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.275 12.014 -1.775 1.00 0.00 H new ATOM 852 N GLN A 58 4.280 9.771 -5.436 1.00 0.00 N ATOM 853 CA GLN A 58 5.414 9.689 -4.523 1.00 0.00 C ATOM 854 C GLN A 58 5.022 10.154 -3.124 1.00 0.00 C ATOM 855 O GLN A 58 4.045 10.884 -2.951 1.00 0.00 O ATOM 856 CB GLN A 58 6.579 10.532 -5.046 1.00 0.00 C ATOM 857 CG GLN A 58 7.535 9.759 -5.940 1.00 0.00 C ATOM 858 CD GLN A 58 8.933 10.345 -5.942 1.00 0.00 C ATOM 859 OE1 GLN A 58 9.822 9.863 -5.240 1.00 0.00 O ATOM 860 NE2 GLN A 58 9.136 11.391 -6.734 1.00 0.00 N ATOM 0 H GLN A 58 3.952 10.720 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 58 5.726 8.646 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.181 11.381 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.133 10.936 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.580 8.722 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.147 9.750 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.371 11.759 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.057 11.827 -6.777 1.00 0.00 H new ATOM 869 N THR A 59 5.790 9.727 -2.127 1.00 0.00 N ATOM 870 CA THR A 59 5.523 10.098 -0.743 1.00 0.00 C ATOM 871 C THR A 59 6.730 9.819 0.144 1.00 0.00 C ATOM 872 O THR A 59 7.420 8.810 -0.004 1.00 0.00 O ATOM 873 CB THR A 59 4.303 9.341 -0.184 1.00 0.00 C ATOM 874 OG1 THR A 59 4.062 9.734 1.171 1.00 0.00 O ATOM 875 CG2 THR A 59 4.523 7.837 -0.250 1.00 0.00 C ATOM 0 H THR A 59 6.603 9.123 -2.252 1.00 0.00 H new ATOM 0 HA THR A 59 5.312 11.167 -0.738 1.00 0.00 H new ATOM 0 HB THR A 59 3.436 9.592 -0.794 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.284 9.250 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.649 7.323 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.677 7.537 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.401 7.571 0.339 1.00 0.00 H new ATOM 883 N PRO A 60 6.994 10.732 1.091 1.00 0.00 N ATOM 884 CA PRO A 60 8.118 10.604 2.023 1.00 0.00 C ATOM 885 C PRO A 60 7.913 9.477 3.029 1.00 0.00 C ATOM 886 O PRO A 60 6.931 9.466 3.771 1.00 0.00 O ATOM 887 CB PRO A 60 8.144 11.959 2.735 1.00 0.00 C ATOM 888 CG PRO A 60 6.747 12.465 2.637 1.00 0.00 C ATOM 889 CD PRO A 60 6.214 11.958 1.325 1.00 0.00 C ATOM 0 HA PRO A 60 9.047 10.359 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.455 11.854 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.847 12.643 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.142 12.105 3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.723 13.554 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.145 11.750 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.358 12.684 0.525 1.00 0.00 H new ATOM 897 N ILE A 61 8.845 8.530 3.048 1.00 0.00 N ATOM 898 CA ILE A 61 8.766 7.400 3.965 1.00 0.00 C ATOM 899 C ILE A 61 10.033 7.285 4.806 1.00 0.00 C ATOM 900 O ILE A 61 10.944 8.105 4.693 1.00 0.00 O ATOM 901 CB ILE A 61 8.544 6.077 3.209 1.00 0.00 C ATOM 902 CG1 ILE A 61 9.616 5.892 2.133 1.00 0.00 C ATOM 903 CG2 ILE A 61 7.154 6.047 2.590 1.00 0.00 C ATOM 904 CD1 ILE A 61 10.587 4.772 2.432 1.00 0.00 C ATOM 0 H ILE A 61 9.663 8.523 2.439 1.00 0.00 H new ATOM 0 HA ILE A 61 7.914 7.583 4.619 1.00 0.00 H new ATOM 0 HB ILE A 61 8.623 5.253 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.130 5.695 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.172 6.823 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.012 5.106 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.404 6.137 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.049 6.877 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.318 4.699 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.101 4.977 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.043 3.831 2.514 1.00 0.00 H new ATOM 916 N THR A 62 10.084 6.260 5.651 1.00 0.00 N ATOM 917 CA THR A 62 11.239 6.036 6.512 1.00 0.00 C ATOM 918 C THR A 62 11.532 4.548 6.663 1.00 0.00 C ATOM 919 O THR A 62 10.833 3.707 6.098 1.00 0.00 O ATOM 920 CB THR A 62 11.026 6.650 7.909 1.00 0.00 C ATOM 921 OG1 THR A 62 9.775 6.213 8.450 1.00 0.00 O ATOM 922 CG2 THR A 62 11.052 8.169 7.841 1.00 0.00 C ATOM 0 H THR A 62 9.339 5.572 5.758 1.00 0.00 H new ATOM 0 HA THR A 62 12.088 6.524 6.034 1.00 0.00 H new ATOM 0 HB THR A 62 11.837 6.317 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.648 6.606 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.900 8.581 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.017 8.499 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.258 8.517 7.180 1.00 0.00 H new ATOM 930 N TYR A 63 12.570 4.229 7.429 1.00 0.00 N ATOM 931 CA TYR A 63 12.956 2.841 7.653 1.00 0.00 C ATOM 932 C TYR A 63 11.885 2.098 8.446 1.00 0.00 C ATOM 933 O TYR A 63 11.686 0.895 8.268 1.00 0.00 O ATOM 934 CB TYR A 63 14.293 2.775 8.394 1.00 0.00 C ATOM 935 CG TYR A 63 14.435 3.817 9.480 1.00 0.00 C ATOM 936 CD1 TYR A 63 13.965 3.579 10.765 1.00 0.00 C ATOM 937 CD2 TYR A 63 15.041 5.041 9.220 1.00 0.00 C ATOM 938 CE1 TYR A 63 14.092 4.529 11.760 1.00 0.00 C ATOM 939 CE2 TYR A 63 15.174 5.996 10.209 1.00 0.00 C ATOM 940 CZ TYR A 63 14.697 5.736 11.477 1.00 0.00 C ATOM 941 OH TYR A 63 14.828 6.684 12.465 1.00 0.00 O ATOM 0 H TYR A 63 13.159 4.913 7.905 1.00 0.00 H new ATOM 0 HA TYR A 63 13.062 2.359 6.681 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.406 1.785 8.835 1.00 0.00 H new ATOM 0 HB3 TYR A 63 15.104 2.898 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.492 2.635 10.990 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.414 5.249 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.720 4.328 12.754 1.00 0.00 H new ATOM 0 HE2 TYR A 63 15.649 6.941 9.991 1.00 0.00 H new ATOM 0 HH TYR A 63 15.277 7.476 12.101 1.00 0.00 H new ATOM 951 N LEU A 64 11.197 2.823 9.321 1.00 0.00 N ATOM 952 CA LEU A 64 10.144 2.235 10.142 1.00 0.00 C ATOM 953 C LEU A 64 8.844 2.112 9.354 1.00 0.00 C ATOM 954 O LEU A 64 8.064 1.184 9.565 1.00 0.00 O ATOM 955 CB LEU A 64 9.917 3.080 11.396 1.00 0.00 C ATOM 956 CG LEU A 64 10.848 2.796 12.575 1.00 0.00 C ATOM 957 CD1 LEU A 64 10.703 3.871 13.641 1.00 0.00 C ATOM 958 CD2 LEU A 64 10.565 1.420 13.160 1.00 0.00 C ATOM 0 H LEU A 64 11.349 3.819 9.480 1.00 0.00 H new ATOM 0 HA LEU A 64 10.463 1.236 10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.018 4.131 11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.889 2.933 11.727 1.00 0.00 H new ATOM 0 HG LEU A 64 11.876 2.809 12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.373 3.652 14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.958 4.842 13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.674 3.891 14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.237 1.236 13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.533 1.377 13.507 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.722 0.660 12.395 1.00 0.00 H new ATOM 970 N SER A 65 8.618 3.055 8.445 1.00 0.00 N ATOM 971 CA SER A 65 7.411 3.053 7.626 1.00 0.00 C ATOM 972 C SER A 65 7.126 1.657 7.081 1.00 0.00 C ATOM 973 O SER A 65 7.946 0.750 7.211 1.00 0.00 O ATOM 974 CB SER A 65 7.553 4.045 6.470 1.00 0.00 C ATOM 975 OG SER A 65 7.355 5.377 6.913 1.00 0.00 O ATOM 0 H SER A 65 9.254 3.830 8.257 1.00 0.00 H new ATOM 0 HA SER A 65 6.574 3.356 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.543 3.950 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.829 3.806 5.691 1.00 0.00 H new ATOM 0 HG SER A 65 8.131 5.667 7.436 1.00 0.00 H new ATOM 981 N GLU A 66 5.956 1.495 6.471 1.00 0.00 N ATOM 982 CA GLU A 66 5.561 0.209 5.908 1.00 0.00 C ATOM 983 C GLU A 66 4.954 0.387 4.519 1.00 0.00 C ATOM 984 O GLU A 66 4.512 1.473 4.141 1.00 0.00 O ATOM 985 CB GLU A 66 4.559 -0.491 6.828 1.00 0.00 C ATOM 986 CG GLU A 66 5.213 -1.310 7.929 1.00 0.00 C ATOM 987 CD GLU A 66 4.365 -2.491 8.359 1.00 0.00 C ATOM 988 OE1 GLU A 66 3.129 -2.424 8.200 1.00 0.00 O ATOM 989 OE2 GLU A 66 4.940 -3.483 8.854 1.00 0.00 O ATOM 0 H GLU A 66 5.266 2.237 6.354 1.00 0.00 H new ATOM 0 HA GLU A 66 6.454 -0.409 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.910 0.258 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.924 -1.144 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.182 -1.670 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.401 -0.669 8.791 1.00 0.00 H new ATOM 996 N PRO A 67 4.931 -0.704 3.739 1.00 0.00 N ATOM 997 CA PRO A 67 4.382 -0.694 2.380 1.00 0.00 C ATOM 998 C PRO A 67 2.865 -0.536 2.370 1.00 0.00 C ATOM 999 O PRO A 67 2.248 -0.444 1.309 1.00 0.00 O ATOM 1000 CB PRO A 67 4.780 -2.065 1.827 1.00 0.00 C ATOM 1001 CG PRO A 67 4.933 -2.930 3.030 1.00 0.00 C ATOM 1002 CD PRO A 67 5.441 -2.031 4.124 1.00 0.00 C ATOM 0 HA PRO A 67 4.760 0.144 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.018 -2.456 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.709 -2.008 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.982 -3.384 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.631 -3.745 2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.068 -2.337 5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.529 -2.042 4.181 1.00 0.00 H new ATOM 1010 N VAL A 68 2.270 -0.504 3.558 1.00 0.00 N ATOM 1011 CA VAL A 68 0.825 -0.355 3.685 1.00 0.00 C ATOM 1012 C VAL A 68 0.440 1.105 3.897 1.00 0.00 C ATOM 1013 O VAL A 68 -0.642 1.536 3.498 1.00 0.00 O ATOM 1014 CB VAL A 68 0.275 -1.194 4.854 1.00 0.00 C ATOM 1015 CG1 VAL A 68 0.905 -0.758 6.168 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -1.241 -1.087 4.919 1.00 0.00 C ATOM 0 H VAL A 68 2.766 -0.579 4.446 1.00 0.00 H new ATOM 0 HA VAL A 68 0.387 -0.712 2.753 1.00 0.00 H new ATOM 0 HB VAL A 68 0.536 -2.238 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.504 -1.362 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.986 -0.891 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.678 0.292 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.613 -1.686 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.526 -0.045 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.672 -1.453 3.987 1.00 0.00 H new ATOM 1026 N ASP A 69 1.333 1.861 4.526 1.00 0.00 N ATOM 1027 CA ASP A 69 1.087 3.274 4.789 1.00 0.00 C ATOM 1028 C ASP A 69 1.047 4.071 3.488 1.00 0.00 C ATOM 1029 O ASP A 69 0.184 4.928 3.300 1.00 0.00 O ATOM 1030 CB ASP A 69 2.168 3.838 5.713 1.00 0.00 C ATOM 1031 CG ASP A 69 1.667 4.999 6.549 1.00 0.00 C ATOM 1032 OD1 ASP A 69 0.853 4.763 7.466 1.00 0.00 O ATOM 1033 OD2 ASP A 69 2.090 6.144 6.286 1.00 0.00 O ATOM 0 H ASP A 69 2.233 1.519 4.863 1.00 0.00 H new ATOM 0 HA ASP A 69 0.117 3.363 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.527 3.048 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.019 4.165 5.115 1.00 0.00 H new ATOM 1038 N VAL A 70 1.986 3.781 2.594 1.00 0.00 N ATOM 1039 CA VAL A 70 2.058 4.470 1.311 1.00 0.00 C ATOM 1040 C VAL A 70 0.699 4.489 0.620 1.00 0.00 C ATOM 1041 O VAL A 70 0.308 5.493 0.024 1.00 0.00 O ATOM 1042 CB VAL A 70 3.088 3.808 0.375 1.00 0.00 C ATOM 1043 CG1 VAL A 70 3.099 4.498 -0.980 1.00 0.00 C ATOM 1044 CG2 VAL A 70 4.472 3.831 1.006 1.00 0.00 C ATOM 0 H VAL A 70 2.708 3.074 2.734 1.00 0.00 H new ATOM 0 HA VAL A 70 2.371 5.493 1.519 1.00 0.00 H new ATOM 0 HB VAL A 70 2.800 2.768 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.832 4.017 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.111 4.424 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.362 5.548 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.187 3.360 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.771 4.863 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.450 3.287 1.950 1.00 0.00 H new ATOM 1054 N TYR A 71 -0.017 3.374 0.705 1.00 0.00 N ATOM 1055 CA TYR A 71 -1.333 3.261 0.087 1.00 0.00 C ATOM 1056 C TYR A 71 -2.280 4.330 0.624 1.00 0.00 C ATOM 1057 O TYR A 71 -2.882 5.083 -0.141 1.00 0.00 O ATOM 1058 CB TYR A 71 -1.920 1.871 0.337 1.00 0.00 C ATOM 1059 CG TYR A 71 -3.356 1.730 -0.112 1.00 0.00 C ATOM 1060 CD1 TYR A 71 -3.777 2.248 -1.331 1.00 0.00 C ATOM 1061 CD2 TYR A 71 -4.293 1.081 0.682 1.00 0.00 C ATOM 1062 CE1 TYR A 71 -5.089 2.123 -1.745 1.00 0.00 C ATOM 1063 CE2 TYR A 71 -5.607 0.950 0.275 1.00 0.00 C ATOM 1064 CZ TYR A 71 -6.000 1.472 -0.939 1.00 0.00 C ATOM 1065 OH TYR A 71 -7.308 1.345 -1.347 1.00 0.00 O ATOM 0 H TYR A 71 0.292 2.535 1.196 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.216 3.410 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.312 1.130 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.857 1.646 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.066 2.757 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.989 0.672 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.400 2.533 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.322 0.441 0.904 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.818 0.860 -0.665 1.00 0.00 H new ATOM 1075 N SER A 72 -2.407 4.389 1.946 1.00 0.00 N ATOM 1076 CA SER A 72 -3.283 5.362 2.587 1.00 0.00 C ATOM 1077 C SER A 72 -2.961 6.777 2.115 1.00 0.00 C ATOM 1078 O SER A 72 -3.844 7.513 1.677 1.00 0.00 O ATOM 1079 CB SER A 72 -3.148 5.277 4.109 1.00 0.00 C ATOM 1080 OG SER A 72 -4.372 4.890 4.708 1.00 0.00 O ATOM 0 H SER A 72 -1.914 3.774 2.594 1.00 0.00 H new ATOM 0 HA SER A 72 -4.310 5.129 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.369 4.560 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.836 6.244 4.504 1.00 0.00 H new ATOM 0 HG SER A 72 -4.259 4.841 5.680 1.00 0.00 H new ATOM 1086 N ASP A 73 -1.689 7.149 2.208 1.00 0.00 N ATOM 1087 CA ASP A 73 -1.248 8.475 1.790 1.00 0.00 C ATOM 1088 C ASP A 73 -1.719 8.783 0.372 1.00 0.00 C ATOM 1089 O ASP A 73 -2.186 9.886 0.089 1.00 0.00 O ATOM 1090 CB ASP A 73 0.276 8.577 1.867 1.00 0.00 C ATOM 1091 CG ASP A 73 0.777 8.699 3.293 1.00 0.00 C ATOM 1092 OD1 ASP A 73 0.076 9.324 4.117 1.00 0.00 O ATOM 1093 OD2 ASP A 73 1.869 8.170 3.586 1.00 0.00 O ATOM 0 H ASP A 73 -0.945 6.551 2.569 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.688 9.207 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.720 7.696 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.609 9.442 1.293 1.00 0.00 H new ATOM 1098 N TRP A 74 -1.593 7.801 -0.514 1.00 0.00 N ATOM 1099 CA TRP A 74 -2.005 7.968 -1.903 1.00 0.00 C ATOM 1100 C TRP A 74 -3.466 8.393 -1.990 1.00 0.00 C ATOM 1101 O TRP A 74 -3.847 9.159 -2.876 1.00 0.00 O ATOM 1102 CB TRP A 74 -1.793 6.667 -2.678 1.00 0.00 C ATOM 1103 CG TRP A 74 -1.958 6.825 -4.160 1.00 0.00 C ATOM 1104 CD1 TRP A 74 -1.858 7.983 -4.876 1.00 0.00 C ATOM 1105 CD2 TRP A 74 -2.253 5.790 -5.104 1.00 0.00 C ATOM 1106 NE1 TRP A 74 -2.074 7.731 -6.210 1.00 0.00 N ATOM 1107 CE2 TRP A 74 -2.317 6.393 -6.376 1.00 0.00 C ATOM 1108 CE3 TRP A 74 -2.467 4.413 -5.000 1.00 0.00 C ATOM 1109 CZ2 TRP A 74 -2.588 5.665 -7.532 1.00 0.00 C ATOM 1110 CZ3 TRP A 74 -2.736 3.692 -6.148 1.00 0.00 C ATOM 1111 CH2 TRP A 74 -2.793 4.319 -7.401 1.00 0.00 C ATOM 0 H TRP A 74 -1.209 6.882 -0.295 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.391 8.752 -2.347 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -0.793 6.287 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.500 5.919 -2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.641 8.954 -4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.056 8.427 -6.955 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.423 3.921 -4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -2.635 6.146 -8.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.905 2.628 -6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.003 3.727 -8.280 1.00 0.00 H new ATOM 1122 N ILE A 75 -4.280 7.894 -1.065 1.00 0.00 N ATOM 1123 CA ILE A 75 -5.699 8.225 -1.038 1.00 0.00 C ATOM 1124 C ILE A 75 -5.912 9.711 -0.769 1.00 0.00 C ATOM 1125 O ILE A 75 -6.462 10.430 -1.603 1.00 0.00 O ATOM 1126 CB ILE A 75 -6.447 7.408 0.033 1.00 0.00 C ATOM 1127 CG1 ILE A 75 -6.008 5.943 -0.013 1.00 0.00 C ATOM 1128 CG2 ILE A 75 -7.950 7.523 -0.168 1.00 0.00 C ATOM 1129 CD1 ILE A 75 -6.130 5.319 -1.386 1.00 0.00 C ATOM 0 H ILE A 75 -3.981 7.259 -0.325 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.100 7.975 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.200 7.811 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.972 5.872 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.609 5.370 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.465 6.941 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.249 8.568 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.215 7.143 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.802 4.280 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.169 5.358 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.507 5.868 -2.092 1.00 0.00 H new ATOM 1141 N ASP A 76 -5.472 10.163 0.400 1.00 0.00 N ATOM 1142 CA ASP A 76 -5.611 11.565 0.779 1.00 0.00 C ATOM 1143 C ASP A 76 -4.959 12.475 -0.257 1.00 0.00 C ATOM 1144 O ASP A 76 -5.260 13.666 -0.329 1.00 0.00 O ATOM 1145 CB ASP A 76 -4.988 11.808 2.154 1.00 0.00 C ATOM 1146 CG ASP A 76 -6.019 12.193 3.197 1.00 0.00 C ATOM 1147 OD1 ASP A 76 -7.055 11.501 3.291 1.00 0.00 O ATOM 1148 OD2 ASP A 76 -5.790 13.184 3.920 1.00 0.00 O ATOM 0 H ASP A 76 -5.016 9.580 1.102 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.674 11.800 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.467 10.907 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.241 12.598 2.077 1.00 0.00 H new ATOM 1153 N ALA A 77 -4.063 11.906 -1.057 1.00 0.00 N ATOM 1154 CA ALA A 77 -3.369 12.666 -2.090 1.00 0.00 C ATOM 1155 C ALA A 77 -4.237 12.821 -3.334 1.00 0.00 C ATOM 1156 O ALA A 77 -4.051 13.751 -4.119 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.051 11.993 -2.444 1.00 0.00 C ATOM 0 H ALA A 77 -3.801 10.921 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.162 13.662 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.543 12.571 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.420 11.940 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.244 10.986 -2.813 1.00 0.00 H new ATOM 1163 N CYS A 78 -5.183 11.905 -3.508 1.00 0.00 N ATOM 1164 CA CYS A 78 -6.079 11.940 -4.659 1.00 0.00 C ATOM 1165 C CYS A 78 -7.373 12.672 -4.318 1.00 0.00 C ATOM 1166 O CYS A 78 -7.751 13.629 -4.992 1.00 0.00 O ATOM 1167 CB CYS A 78 -6.391 10.519 -5.131 1.00 0.00 C ATOM 1168 SG CYS A 78 -7.257 10.442 -6.717 1.00 0.00 S ATOM 0 H CYS A 78 -5.350 11.129 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.579 12.480 -5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.458 9.961 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.996 10.021 -4.374 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.702 9.540 -7.471 1.00 0.00 H new ATOM 1174 N GLU A 79 -8.048 12.213 -3.269 1.00 0.00 N ATOM 1175 CA GLU A 79 -9.301 12.823 -2.841 1.00 0.00 C ATOM 1176 C GLU A 79 -9.145 14.333 -2.684 1.00 0.00 C ATOM 1177 O GLU A 79 -10.131 15.068 -2.638 1.00 0.00 O ATOM 1178 CB GLU A 79 -9.770 12.208 -1.521 1.00 0.00 C ATOM 1179 CG GLU A 79 -8.813 12.447 -0.365 1.00 0.00 C ATOM 1180 CD GLU A 79 -9.474 13.150 0.804 1.00 0.00 C ATOM 1181 OE1 GLU A 79 -10.680 12.918 1.032 1.00 0.00 O ATOM 1182 OE2 GLU A 79 -8.786 13.933 1.491 1.00 0.00 O ATOM 0 H GLU A 79 -7.748 11.421 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.050 12.630 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.746 12.619 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.902 11.135 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.410 11.492 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.970 13.044 -0.714 1.00 0.00 H new ATOM 1189 N SER A 80 -7.899 14.788 -2.603 1.00 0.00 N ATOM 1190 CA SER A 80 -7.613 16.210 -2.447 1.00 0.00 C ATOM 1191 C SER A 80 -7.700 16.932 -3.788 1.00 0.00 C ATOM 1192 O SER A 80 -7.150 16.474 -4.789 1.00 0.00 O ATOM 1193 CB SER A 80 -6.224 16.408 -1.837 1.00 0.00 C ATOM 1194 OG SER A 80 -6.233 17.448 -0.875 1.00 0.00 O ATOM 0 H SER A 80 -7.071 14.193 -2.643 1.00 0.00 H new ATOM 0 HA SER A 80 -8.360 16.635 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.892 15.480 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.508 16.643 -2.624 1.00 0.00 H new ATOM 0 HG SER A 80 -5.334 17.553 -0.499 1.00 0.00 H new ATOM 1200 N GLY A 81 -8.395 18.065 -3.799 1.00 0.00 N ATOM 1201 CA GLY A 81 -8.543 18.833 -5.021 1.00 0.00 C ATOM 1202 C GLY A 81 -7.209 19.187 -5.647 1.00 0.00 C ATOM 1203 O GLY A 81 -6.653 18.432 -6.446 1.00 0.00 O ATOM 0 H GLY A 81 -8.858 18.465 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.136 18.263 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.095 19.748 -4.807 1.00 0.00 H new ATOM 1207 N PRO A 82 -6.674 20.363 -5.285 1.00 0.00 N ATOM 1208 CA PRO A 82 -5.391 20.843 -5.807 1.00 0.00 C ATOM 1209 C PRO A 82 -4.211 20.033 -5.280 1.00 0.00 C ATOM 1210 O PRO A 82 -4.382 19.133 -4.457 1.00 0.00 O ATOM 1211 CB PRO A 82 -5.318 22.285 -5.298 1.00 0.00 C ATOM 1212 CG PRO A 82 -6.175 22.300 -4.080 1.00 0.00 C ATOM 1213 CD PRO A 82 -7.280 21.314 -4.338 1.00 0.00 C ATOM 0 HA PRO A 82 -5.334 20.756 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.292 22.571 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.682 22.988 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.602 22.021 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.576 23.297 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.599 20.819 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.160 21.798 -4.762 1.00 0.00 H new ATOM 1221 N SER A 83 -3.015 20.357 -5.760 1.00 0.00 N ATOM 1222 CA SER A 83 -1.807 19.657 -5.339 1.00 0.00 C ATOM 1223 C SER A 83 -0.959 20.536 -4.425 1.00 0.00 C ATOM 1224 O SER A 83 -0.954 21.761 -4.554 1.00 0.00 O ATOM 1225 CB SER A 83 -0.988 19.231 -6.559 1.00 0.00 C ATOM 1226 OG SER A 83 -1.573 18.110 -7.200 1.00 0.00 O ATOM 0 H SER A 83 -2.856 21.100 -6.441 1.00 0.00 H new ATOM 0 HA SER A 83 -2.107 18.769 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.919 20.061 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.029 18.988 -6.251 1.00 0.00 H new ATOM 0 HG SER A 83 -1.032 17.858 -7.977 1.00 0.00 H new ATOM 1232 N SER A 84 -0.243 19.903 -3.502 1.00 0.00 N ATOM 1233 CA SER A 84 0.607 20.627 -2.564 1.00 0.00 C ATOM 1234 C SER A 84 2.015 20.795 -3.124 1.00 0.00 C ATOM 1235 O SER A 84 2.510 21.912 -3.265 1.00 0.00 O ATOM 1236 CB SER A 84 0.663 19.891 -1.223 1.00 0.00 C ATOM 1237 OG SER A 84 1.116 20.749 -0.190 1.00 0.00 O ATOM 0 H SER A 84 -0.234 18.890 -3.383 1.00 0.00 H new ATOM 0 HA SER A 84 0.176 21.617 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.326 19.507 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.328 19.031 -1.304 1.00 0.00 H new ATOM 0 HG SER A 84 1.141 20.256 0.657 1.00 0.00 H new ATOM 1243 N GLY A 85 2.657 19.675 -3.443 1.00 0.00 N ATOM 1244 CA GLY A 85 4.002 19.718 -3.985 1.00 0.00 C ATOM 1245 C GLY A 85 4.231 18.670 -5.055 1.00 0.00 C ATOM 1246 O GLY A 85 5.361 18.212 -5.213 1.00 0.00 O ATOM 0 H GLY A 85 2.269 18.738 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.190 20.707 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.720 19.572 -3.178 1.00 0.00 H new TER 1250 GLY A 85 HETATM 1251 ZN ZN A 201 -5.373 2.632 -11.514 1.00 0.00 ZN