USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 95:sc= 0.393 USER MOD Set 1.2: A 72 GLN : amide:sc=-0.00952 X(o=0.38,f=0.21) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -165:sc= 0.98 (180deg=-0.0571) USER MOD Set 2.2: A 49 SER OG : rot -149:sc= 0.443 USER MOD Set 3.1: A 16 SER OG : rot -140:sc= 0.232 USER MOD Set 3.2: A 37 GLN : amide:sc= -1.78 K(o=-1.5,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.128 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -3.33 K(o=-3.3,f=-5.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.024) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.166 (180deg=-0.169) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.11) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 32:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.707 5.295 -42.871 1.00 0.00 N ATOM 2 CA GLY A 1 0.947 5.975 -41.839 1.00 0.00 C ATOM 3 C GLY A 1 0.146 5.016 -40.981 1.00 0.00 C ATOM 4 O GLY A 1 -1.084 5.074 -40.955 1.00 0.00 O ATOM 0 H1 GLY A 1 2.237 5.994 -43.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.372 4.628 -42.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.057 4.774 -43.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.628 6.542 -41.205 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.271 6.693 -42.304 1.00 0.00 H new ATOM 8 N SER A 2 0.843 4.129 -40.279 1.00 0.00 N ATOM 9 CA SER A 2 0.189 3.149 -39.420 1.00 0.00 C ATOM 10 C SER A 2 1.174 2.569 -38.409 1.00 0.00 C ATOM 11 O SER A 2 2.262 2.122 -38.772 1.00 0.00 O ATOM 12 CB SER A 2 -0.416 2.025 -40.262 1.00 0.00 C ATOM 13 OG SER A 2 0.589 1.323 -40.974 1.00 0.00 O ATOM 0 H SER A 2 1.861 4.069 -40.288 1.00 0.00 H new ATOM 0 HA SER A 2 -0.608 3.655 -38.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.958 1.334 -39.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.140 2.441 -40.963 1.00 0.00 H new ATOM 0 HG SER A 2 1.441 1.397 -40.496 1.00 0.00 H new ATOM 19 N SER A 3 0.784 2.581 -37.138 1.00 0.00 N ATOM 20 CA SER A 3 1.632 2.060 -36.073 1.00 0.00 C ATOM 21 C SER A 3 0.856 1.949 -34.765 1.00 0.00 C ATOM 22 O SER A 3 0.016 2.793 -34.455 1.00 0.00 O ATOM 23 CB SER A 3 2.854 2.960 -35.880 1.00 0.00 C ATOM 24 OG SER A 3 3.934 2.239 -35.313 1.00 0.00 O ATOM 0 H SER A 3 -0.114 2.946 -36.821 1.00 0.00 H new ATOM 0 HA SER A 3 1.965 1.063 -36.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.156 3.379 -36.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.594 3.799 -35.234 1.00 0.00 H new ATOM 0 HG SER A 3 4.703 2.836 -35.201 1.00 0.00 H new ATOM 30 N GLY A 4 1.143 0.900 -34.000 1.00 0.00 N ATOM 31 CA GLY A 4 0.464 0.696 -32.734 1.00 0.00 C ATOM 32 C GLY A 4 -0.551 -0.428 -32.795 1.00 0.00 C ATOM 33 O GLY A 4 -0.777 -1.012 -33.854 1.00 0.00 O ATOM 0 H GLY A 4 1.834 0.188 -34.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.201 0.475 -31.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.037 1.619 -32.441 1.00 0.00 H new ATOM 37 N SER A 5 -1.163 -0.733 -31.655 1.00 0.00 N ATOM 38 CA SER A 5 -2.156 -1.799 -31.582 1.00 0.00 C ATOM 39 C SER A 5 -2.947 -1.716 -30.280 1.00 0.00 C ATOM 40 O SER A 5 -2.460 -1.193 -29.277 1.00 0.00 O ATOM 41 CB SER A 5 -1.477 -3.165 -31.693 1.00 0.00 C ATOM 42 OG SER A 5 -2.403 -4.215 -31.474 1.00 0.00 O ATOM 0 H SER A 5 -0.989 -0.257 -30.770 1.00 0.00 H new ATOM 0 HA SER A 5 -2.848 -1.676 -32.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.028 -3.272 -32.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.668 -3.232 -30.966 1.00 0.00 H new ATOM 0 HG SER A 5 -1.944 -5.077 -31.552 1.00 0.00 H new ATOM 48 N SER A 6 -4.170 -2.235 -30.304 1.00 0.00 N ATOM 49 CA SER A 6 -5.032 -2.216 -29.128 1.00 0.00 C ATOM 50 C SER A 6 -5.190 -3.619 -28.549 1.00 0.00 C ATOM 51 O SER A 6 -4.776 -4.605 -29.157 1.00 0.00 O ATOM 52 CB SER A 6 -6.404 -1.641 -29.484 1.00 0.00 C ATOM 53 OG SER A 6 -6.384 -0.225 -29.465 1.00 0.00 O ATOM 0 H SER A 6 -4.587 -2.674 -31.125 1.00 0.00 H new ATOM 0 HA SER A 6 -4.565 -1.581 -28.375 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.703 -1.990 -30.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.149 -2.007 -28.778 1.00 0.00 H new ATOM 0 HG SER A 6 -7.272 0.118 -29.698 1.00 0.00 H new ATOM 59 N GLY A 7 -5.793 -3.700 -27.366 1.00 0.00 N ATOM 60 CA GLY A 7 -5.995 -4.985 -26.723 1.00 0.00 C ATOM 61 C GLY A 7 -5.940 -4.891 -25.211 1.00 0.00 C ATOM 62 O GLY A 7 -5.220 -4.059 -24.658 1.00 0.00 O ATOM 0 H GLY A 7 -6.145 -2.899 -26.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.961 -5.391 -27.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.234 -5.685 -27.069 1.00 0.00 H new ATOM 66 N LYS A 8 -6.703 -5.746 -24.539 1.00 0.00 N ATOM 67 CA LYS A 8 -6.739 -5.758 -23.081 1.00 0.00 C ATOM 68 C LYS A 8 -7.506 -6.971 -22.565 1.00 0.00 C ATOM 69 O LYS A 8 -8.387 -7.510 -23.236 1.00 0.00 O ATOM 70 CB LYS A 8 -7.383 -4.473 -22.556 1.00 0.00 C ATOM 71 CG LYS A 8 -8.809 -4.267 -23.038 1.00 0.00 C ATOM 72 CD LYS A 8 -9.325 -2.884 -22.678 1.00 0.00 C ATOM 73 CE LYS A 8 -10.423 -2.434 -23.629 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.928 -1.075 -23.290 1.00 0.00 N ATOM 0 H LYS A 8 -7.305 -6.440 -24.981 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.713 -5.818 -22.718 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.376 -4.492 -21.466 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.777 -3.621 -22.864 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.852 -4.402 -24.119 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.456 -5.024 -22.596 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.707 -2.891 -21.657 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.503 -2.169 -22.706 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.042 -2.435 -24.650 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.247 -3.147 -23.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.675 -0.805 -23.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.315 -1.079 -22.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.147 -0.390 -23.347 1.00 0.00 H new ATOM 88 N PRO A 9 -7.167 -7.412 -21.345 1.00 0.00 N ATOM 89 CA PRO A 9 -7.814 -8.565 -20.712 1.00 0.00 C ATOM 90 C PRO A 9 -9.256 -8.274 -20.313 1.00 0.00 C ATOM 91 O PRO A 9 -9.682 -7.119 -20.287 1.00 0.00 O ATOM 92 CB PRO A 9 -6.955 -8.815 -19.469 1.00 0.00 C ATOM 93 CG PRO A 9 -6.339 -7.494 -19.163 1.00 0.00 C ATOM 94 CD PRO A 9 -6.126 -6.819 -20.489 1.00 0.00 C ATOM 0 HA PRO A 9 -7.873 -9.420 -21.386 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.559 -9.173 -18.635 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.194 -9.572 -19.659 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.990 -6.899 -18.522 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.395 -7.617 -18.632 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.237 -5.737 -20.412 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.127 -7.009 -20.881 1.00 0.00 H new ATOM 102 N ILE A 10 -10.003 -9.328 -20.002 1.00 0.00 N ATOM 103 CA ILE A 10 -11.398 -9.184 -19.602 1.00 0.00 C ATOM 104 C ILE A 10 -11.514 -8.882 -18.112 1.00 0.00 C ATOM 105 O ILE A 10 -10.573 -9.096 -17.348 1.00 0.00 O ATOM 106 CB ILE A 10 -12.209 -10.454 -19.922 1.00 0.00 C ATOM 107 CG1 ILE A 10 -11.448 -11.700 -19.466 1.00 0.00 C ATOM 108 CG2 ILE A 10 -12.512 -10.527 -21.411 1.00 0.00 C ATOM 109 CD1 ILE A 10 -11.013 -11.646 -18.018 1.00 0.00 C ATOM 0 H ILE A 10 -9.666 -10.291 -20.019 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.806 -8.349 -20.172 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.154 -10.410 -19.380 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.079 -12.576 -19.615 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.568 -11.830 -20.097 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.085 -11.430 -21.622 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.090 -9.652 -21.708 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.578 -10.552 -21.972 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.479 -12.562 -17.764 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.356 -10.790 -17.867 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.890 -11.548 -17.378 1.00 0.00 H new ATOM 121 N LYS A 11 -12.677 -8.384 -17.705 1.00 0.00 N ATOM 122 CA LYS A 11 -12.920 -8.054 -16.305 1.00 0.00 C ATOM 123 C LYS A 11 -14.076 -8.877 -15.746 1.00 0.00 C ATOM 124 O LYS A 11 -15.030 -8.328 -15.194 1.00 0.00 O ATOM 125 CB LYS A 11 -13.223 -6.562 -16.156 1.00 0.00 C ATOM 126 CG LYS A 11 -13.123 -6.060 -14.726 1.00 0.00 C ATOM 127 CD LYS A 11 -13.955 -4.806 -14.516 1.00 0.00 C ATOM 128 CE LYS A 11 -13.402 -3.955 -13.383 1.00 0.00 C ATOM 129 NZ LYS A 11 -14.239 -2.747 -13.138 1.00 0.00 N ATOM 0 H LYS A 11 -13.466 -8.200 -18.325 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.019 -8.293 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.532 -5.996 -16.780 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.227 -6.365 -16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.458 -6.839 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.081 -5.851 -14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.973 -4.222 -15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.985 -5.084 -14.294 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.350 -4.552 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.384 -3.649 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.829 -2.193 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.268 -2.164 -13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.204 -3.039 -12.885 1.00 0.00 H new ATOM 143 N ILE A 12 -13.984 -10.194 -15.890 1.00 0.00 N ATOM 144 CA ILE A 12 -15.021 -11.091 -15.397 1.00 0.00 C ATOM 145 C ILE A 12 -14.425 -12.200 -14.536 1.00 0.00 C ATOM 146 O ILE A 12 -15.067 -13.221 -14.290 1.00 0.00 O ATOM 147 CB ILE A 12 -15.814 -11.726 -16.554 1.00 0.00 C ATOM 148 CG1 ILE A 12 -14.860 -12.355 -17.571 1.00 0.00 C ATOM 149 CG2 ILE A 12 -16.698 -10.684 -17.224 1.00 0.00 C ATOM 150 CD1 ILE A 12 -14.555 -13.811 -17.293 1.00 0.00 C ATOM 0 H ILE A 12 -13.201 -10.664 -16.345 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.698 -10.488 -14.792 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.453 -12.511 -16.149 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.294 -12.267 -18.567 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.927 -11.792 -17.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -17.252 -11.148 -18.040 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -17.398 -10.278 -16.494 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -16.077 -9.879 -17.618 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.873 -14.191 -18.053 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.092 -13.905 -16.311 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -15.480 -14.387 -17.314 1.00 0.00 H new ATOM 162 N ARG A 13 -13.195 -11.990 -14.079 1.00 0.00 N ATOM 163 CA ARG A 13 -12.512 -12.972 -13.245 1.00 0.00 C ATOM 164 C ARG A 13 -11.403 -12.314 -12.429 1.00 0.00 C ATOM 165 O ARG A 13 -10.502 -11.685 -12.982 1.00 0.00 O ATOM 166 CB ARG A 13 -11.929 -14.091 -14.110 1.00 0.00 C ATOM 167 CG ARG A 13 -10.700 -13.673 -14.899 1.00 0.00 C ATOM 168 CD ARG A 13 -10.351 -14.695 -15.970 1.00 0.00 C ATOM 169 NE ARG A 13 -9.219 -14.267 -16.787 1.00 0.00 N ATOM 170 CZ ARG A 13 -9.002 -14.695 -18.025 1.00 0.00 C ATOM 171 NH1 ARG A 13 -9.838 -15.558 -18.587 1.00 0.00 N ATOM 172 NH2 ARG A 13 -7.949 -14.260 -18.705 1.00 0.00 N ATOM 0 H ARG A 13 -12.651 -11.149 -14.272 1.00 0.00 H new ATOM 0 HA ARG A 13 -13.242 -13.398 -12.557 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.670 -14.935 -13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.695 -14.439 -14.804 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.877 -12.703 -15.364 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.855 -13.552 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.117 -15.649 -15.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.218 -14.860 -16.610 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.558 -13.602 -16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.649 -15.894 -18.068 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.670 -15.886 -19.538 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.304 -13.596 -18.277 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.784 -14.590 -19.656 1.00 0.00 H new ATOM 186 N GLY A 14 -11.476 -12.465 -11.110 1.00 0.00 N ATOM 187 CA GLY A 14 -10.473 -11.881 -10.240 1.00 0.00 C ATOM 188 C GLY A 14 -11.082 -11.179 -9.042 1.00 0.00 C ATOM 189 O GLY A 14 -11.166 -9.951 -8.992 1.00 0.00 O ATOM 0 H GLY A 14 -12.212 -12.982 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.797 -12.663 -9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.874 -11.170 -10.808 1.00 0.00 H new ATOM 193 N PRO A 15 -11.522 -11.967 -8.050 1.00 0.00 N ATOM 194 CA PRO A 15 -12.135 -11.435 -6.830 1.00 0.00 C ATOM 195 C PRO A 15 -11.128 -10.713 -5.941 1.00 0.00 C ATOM 196 O PRO A 15 -9.992 -10.467 -6.348 1.00 0.00 O ATOM 197 CB PRO A 15 -12.668 -12.686 -6.126 1.00 0.00 C ATOM 198 CG PRO A 15 -11.810 -13.796 -6.627 1.00 0.00 C ATOM 199 CD PRO A 15 -11.453 -13.437 -8.043 1.00 0.00 C ATOM 0 HA PRO A 15 -12.902 -10.693 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.599 -12.590 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.718 -12.858 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.915 -13.904 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.340 -14.747 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.458 -13.794 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.150 -13.875 -8.757 1.00 0.00 H new ATOM 207 N SER A 16 -11.551 -10.375 -4.727 1.00 0.00 N ATOM 208 CA SER A 16 -10.686 -9.678 -3.783 1.00 0.00 C ATOM 209 C SER A 16 -9.324 -10.359 -3.689 1.00 0.00 C ATOM 210 O SER A 16 -9.231 -11.548 -3.381 1.00 0.00 O ATOM 211 CB SER A 16 -11.340 -9.628 -2.401 1.00 0.00 C ATOM 212 OG SER A 16 -12.567 -8.920 -2.442 1.00 0.00 O ATOM 0 H SER A 16 -12.487 -10.573 -4.374 1.00 0.00 H new ATOM 0 HA SER A 16 -10.540 -8.660 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.514 -10.642 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.664 -9.149 -1.693 1.00 0.00 H new ATOM 0 HG SER A 16 -12.653 -8.368 -1.637 1.00 0.00 H new ATOM 218 N HIS A 17 -8.269 -9.597 -3.957 1.00 0.00 N ATOM 219 CA HIS A 17 -6.910 -10.125 -3.902 1.00 0.00 C ATOM 220 C HIS A 17 -6.140 -9.523 -2.731 1.00 0.00 C ATOM 221 O HIS A 17 -6.483 -8.449 -2.235 1.00 0.00 O ATOM 222 CB HIS A 17 -6.176 -9.838 -5.212 1.00 0.00 C ATOM 223 CG HIS A 17 -6.999 -10.113 -6.433 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.509 -9.115 -7.237 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.398 -11.282 -6.987 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.188 -9.659 -8.231 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.136 -10.972 -8.103 1.00 0.00 N ATOM 0 H HIS A 17 -8.328 -8.612 -4.214 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.971 -11.204 -3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.863 -8.794 -5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.270 -10.443 -5.251 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.382 -8.114 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.177 -12.273 -6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.699 -9.121 -9.016 1.00 0.00 H new ATOM 236 N CYS A 18 -5.098 -10.222 -2.292 1.00 0.00 N ATOM 237 CA CYS A 18 -4.279 -9.758 -1.179 1.00 0.00 C ATOM 238 C CYS A 18 -3.558 -8.461 -1.537 1.00 0.00 C ATOM 239 O CYS A 18 -2.942 -8.354 -2.597 1.00 0.00 O ATOM 240 CB CYS A 18 -3.260 -10.830 -0.787 1.00 0.00 C ATOM 241 SG CYS A 18 -2.212 -10.375 0.632 1.00 0.00 S ATOM 0 H CYS A 18 -4.801 -11.113 -2.691 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.937 -9.565 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.791 -11.752 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.621 -11.040 -1.645 1.00 0.00 H new ATOM 246 N ALA A 19 -3.640 -7.480 -0.645 1.00 0.00 N ATOM 247 CA ALA A 19 -2.994 -6.192 -0.865 1.00 0.00 C ATOM 248 C ALA A 19 -1.525 -6.238 -0.460 1.00 0.00 C ATOM 249 O ALA A 19 -0.917 -5.208 -0.173 1.00 0.00 O ATOM 250 CB ALA A 19 -3.721 -5.098 -0.097 1.00 0.00 C ATOM 0 H ALA A 19 -4.147 -7.552 0.237 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.043 -5.967 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.227 -4.142 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.755 -5.040 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.702 -5.328 0.968 1.00 0.00 H new ATOM 256 N GLY A 20 -0.959 -7.441 -0.438 1.00 0.00 N ATOM 257 CA GLY A 20 0.434 -7.599 -0.065 1.00 0.00 C ATOM 258 C GLY A 20 1.216 -8.416 -1.075 1.00 0.00 C ATOM 259 O GLY A 20 2.361 -8.094 -1.392 1.00 0.00 O ATOM 0 H GLY A 20 -1.441 -8.309 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.894 -6.616 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.493 -8.081 0.911 1.00 0.00 H new ATOM 263 N CYS A 21 0.596 -9.477 -1.582 1.00 0.00 N ATOM 264 CA CYS A 21 1.241 -10.344 -2.560 1.00 0.00 C ATOM 265 C CYS A 21 0.431 -10.404 -3.852 1.00 0.00 C ATOM 266 O CYS A 21 0.841 -11.032 -4.828 1.00 0.00 O ATOM 267 CB CYS A 21 1.415 -11.752 -1.989 1.00 0.00 C ATOM 268 SG CYS A 21 -0.125 -12.494 -1.359 1.00 0.00 S ATOM 0 H CYS A 21 -0.352 -9.756 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 21 2.222 -9.927 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.827 -12.399 -2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.146 -11.717 -1.181 1.00 0.00 H new ATOM 273 N LYS A 22 -0.723 -9.745 -3.850 1.00 0.00 N ATOM 274 CA LYS A 22 -1.592 -9.720 -5.021 1.00 0.00 C ATOM 275 C LYS A 22 -2.075 -11.125 -5.369 1.00 0.00 C ATOM 276 O LYS A 22 -2.104 -11.508 -6.538 1.00 0.00 O ATOM 277 CB LYS A 22 -0.855 -9.112 -6.216 1.00 0.00 C ATOM 278 CG LYS A 22 -0.510 -7.644 -6.035 1.00 0.00 C ATOM 279 CD LYS A 22 -1.701 -6.750 -6.338 1.00 0.00 C ATOM 280 CE LYS A 22 -1.835 -6.488 -7.830 1.00 0.00 C ATOM 281 NZ LYS A 22 -3.058 -5.698 -8.146 1.00 0.00 N ATOM 0 H LYS A 22 -1.078 -9.221 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.460 -9.104 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.063 -9.674 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.471 -9.224 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.175 -7.471 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.320 -7.381 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.613 -7.218 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.590 -5.803 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.955 -5.952 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.868 -7.438 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.114 -5.540 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.900 -6.220 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.015 -4.781 -7.657 1.00 0.00 H new ATOM 295 N GLU A 23 -2.456 -11.885 -4.348 1.00 0.00 N ATOM 296 CA GLU A 23 -2.939 -13.246 -4.548 1.00 0.00 C ATOM 297 C GLU A 23 -4.403 -13.370 -4.137 1.00 0.00 C ATOM 298 O GLU A 23 -4.819 -12.827 -3.114 1.00 0.00 O ATOM 299 CB GLU A 23 -2.088 -14.236 -3.748 1.00 0.00 C ATOM 300 CG GLU A 23 -0.813 -14.655 -4.460 1.00 0.00 C ATOM 301 CD GLU A 23 -0.275 -15.982 -3.960 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.091 -16.875 -3.651 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.963 -16.127 -3.878 1.00 0.00 O ATOM 0 H GLU A 23 -2.440 -11.582 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.856 -13.481 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.828 -13.787 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.683 -15.124 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.005 -14.725 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.054 -13.885 -4.322 1.00 0.00 H new ATOM 310 N GLU A 24 -5.179 -14.088 -4.942 1.00 0.00 N ATOM 311 CA GLU A 24 -6.597 -14.282 -4.663 1.00 0.00 C ATOM 312 C GLU A 24 -6.808 -14.774 -3.234 1.00 0.00 C ATOM 313 O GLU A 24 -6.227 -15.777 -2.820 1.00 0.00 O ATOM 314 CB GLU A 24 -7.203 -15.280 -5.652 1.00 0.00 C ATOM 315 CG GLU A 24 -8.606 -15.731 -5.280 1.00 0.00 C ATOM 316 CD GLU A 24 -9.083 -16.903 -6.116 1.00 0.00 C ATOM 317 OE1 GLU A 24 -8.367 -17.924 -6.167 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.172 -16.798 -6.718 1.00 0.00 O ATOM 0 H GLU A 24 -4.850 -14.545 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.098 -13.320 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.227 -14.827 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.555 -16.154 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.627 -16.009 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.296 -14.897 -5.403 1.00 0.00 H new ATOM 325 N ILE A 25 -7.642 -14.059 -2.486 1.00 0.00 N ATOM 326 CA ILE A 25 -7.930 -14.423 -1.104 1.00 0.00 C ATOM 327 C ILE A 25 -9.221 -15.229 -1.005 1.00 0.00 C ATOM 328 O ILE A 25 -10.260 -14.825 -1.527 1.00 0.00 O ATOM 329 CB ILE A 25 -8.046 -13.176 -0.207 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.751 -12.363 -0.255 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.370 -13.582 1.224 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.899 -10.957 0.282 1.00 0.00 C ATOM 0 H ILE A 25 -8.130 -13.225 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.096 -15.034 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.858 -12.552 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.984 -12.883 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.400 -12.314 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.449 -12.690 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.316 -14.123 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.577 -14.224 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.942 -10.440 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.643 -10.419 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.220 -10.997 1.323 1.00 0.00 H new ATOM 344 N LYS A 26 -9.148 -16.371 -0.330 1.00 0.00 N ATOM 345 CA LYS A 26 -10.311 -17.234 -0.158 1.00 0.00 C ATOM 346 C LYS A 26 -11.214 -16.714 0.956 1.00 0.00 C ATOM 347 O LYS A 26 -10.803 -15.882 1.765 1.00 0.00 O ATOM 348 CB LYS A 26 -9.868 -18.665 0.156 1.00 0.00 C ATOM 349 CG LYS A 26 -9.509 -19.475 -1.078 1.00 0.00 C ATOM 350 CD LYS A 26 -9.244 -20.930 -0.732 1.00 0.00 C ATOM 351 CE LYS A 26 -8.581 -21.666 -1.886 1.00 0.00 C ATOM 352 NZ LYS A 26 -9.516 -21.865 -3.028 1.00 0.00 N ATOM 0 H LYS A 26 -8.295 -16.721 0.107 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.875 -17.231 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.006 -18.632 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.667 -19.174 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.321 -19.414 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.626 -19.046 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.606 -20.985 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.183 -21.421 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.711 -21.103 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.220 -22.634 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.026 -22.370 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.335 -22.424 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.841 -20.940 -3.376 1.00 0.00 H new ATOM 366 N HIS A 27 -12.447 -17.211 0.992 1.00 0.00 N ATOM 367 CA HIS A 27 -13.408 -16.799 2.009 1.00 0.00 C ATOM 368 C HIS A 27 -13.169 -17.546 3.317 1.00 0.00 C ATOM 369 O HIS A 27 -13.419 -18.747 3.412 1.00 0.00 O ATOM 370 CB HIS A 27 -14.836 -17.044 1.520 1.00 0.00 C ATOM 371 CG HIS A 27 -15.321 -16.015 0.546 1.00 0.00 C ATOM 372 ND1 HIS A 27 -16.540 -15.382 0.665 1.00 0.00 N ATOM 373 CD2 HIS A 27 -14.743 -15.510 -0.569 1.00 0.00 C ATOM 374 CE1 HIS A 27 -16.691 -14.532 -0.335 1.00 0.00 C ATOM 375 NE2 HIS A 27 -15.614 -14.590 -1.098 1.00 0.00 N ATOM 0 H HIS A 27 -12.804 -17.899 0.329 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.273 -15.733 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.887 -18.027 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.507 -17.064 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.777 -15.780 -0.968 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.549 -13.897 -0.501 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.455 -14.041 -1.943 1.00 0.00 H new ATOM 384 N GLY A 28 -12.684 -16.827 4.324 1.00 0.00 N ATOM 385 CA GLY A 28 -12.419 -17.439 5.613 1.00 0.00 C ATOM 386 C GLY A 28 -11.066 -17.048 6.174 1.00 0.00 C ATOM 387 O GLY A 28 -10.945 -16.737 7.358 1.00 0.00 O ATOM 0 H GLY A 28 -12.470 -15.831 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.199 -17.148 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.468 -18.523 5.514 1.00 0.00 H new ATOM 391 N GLN A 29 -10.047 -17.066 5.321 1.00 0.00 N ATOM 392 CA GLN A 29 -8.695 -16.713 5.739 1.00 0.00 C ATOM 393 C GLN A 29 -8.286 -15.358 5.171 1.00 0.00 C ATOM 394 O GLN A 29 -7.640 -15.281 4.126 1.00 0.00 O ATOM 395 CB GLN A 29 -7.703 -17.787 5.292 1.00 0.00 C ATOM 396 CG GLN A 29 -7.949 -19.146 5.928 1.00 0.00 C ATOM 397 CD GLN A 29 -7.318 -19.270 7.301 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.113 -19.080 7.463 1.00 0.00 O ATOM 399 NE2 GLN A 29 -8.133 -19.589 8.300 1.00 0.00 N ATOM 0 H GLN A 29 -10.132 -17.321 4.337 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.684 -16.649 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.754 -17.888 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.692 -17.459 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.023 -19.316 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.551 -19.925 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.126 -19.738 8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.766 -19.685 9.247 1.00 0.00 H new ATOM 408 N SER A 30 -8.666 -14.291 5.867 1.00 0.00 N ATOM 409 CA SER A 30 -8.343 -12.938 5.429 1.00 0.00 C ATOM 410 C SER A 30 -8.193 -12.002 6.624 1.00 0.00 C ATOM 411 O SER A 30 -8.810 -12.208 7.671 1.00 0.00 O ATOM 412 CB SER A 30 -9.426 -12.411 4.487 1.00 0.00 C ATOM 413 OG SER A 30 -10.712 -12.530 5.071 1.00 0.00 O ATOM 0 H SER A 30 -9.198 -14.337 6.736 1.00 0.00 H new ATOM 0 HA SER A 30 -7.393 -12.973 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.227 -11.366 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.397 -12.964 3.548 1.00 0.00 H new ATOM 0 HG SER A 30 -11.387 -12.185 4.450 1.00 0.00 H new ATOM 419 N LEU A 31 -7.370 -10.972 6.462 1.00 0.00 N ATOM 420 CA LEU A 31 -7.138 -10.002 7.526 1.00 0.00 C ATOM 421 C LEU A 31 -7.480 -8.590 7.061 1.00 0.00 C ATOM 422 O LEU A 31 -6.767 -8.003 6.247 1.00 0.00 O ATOM 423 CB LEU A 31 -5.680 -10.060 7.987 1.00 0.00 C ATOM 424 CG LEU A 31 -5.404 -9.560 9.405 1.00 0.00 C ATOM 425 CD1 LEU A 31 -3.985 -9.908 9.827 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.636 -8.059 9.497 1.00 0.00 C ATOM 0 H LEU A 31 -6.852 -10.787 5.603 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.788 -10.256 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.338 -11.092 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.077 -9.475 7.293 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.096 -10.057 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.807 -9.544 10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.853 -10.990 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.277 -9.440 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.435 -7.721 10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.969 -7.545 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.671 -7.834 9.238 1.00 0.00 H new ATOM 438 N LEU A 32 -8.575 -8.050 7.585 1.00 0.00 N ATOM 439 CA LEU A 32 -9.011 -6.705 7.226 1.00 0.00 C ATOM 440 C LEU A 32 -8.093 -5.652 7.839 1.00 0.00 C ATOM 441 O LEU A 32 -7.769 -5.712 9.025 1.00 0.00 O ATOM 442 CB LEU A 32 -10.451 -6.474 7.689 1.00 0.00 C ATOM 443 CG LEU A 32 -11.547 -6.921 6.720 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.460 -6.140 5.419 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.447 -8.416 6.455 1.00 0.00 C ATOM 0 H LEU A 32 -9.177 -8.523 8.259 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.965 -6.613 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.595 -6.995 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.581 -5.410 7.888 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.515 -6.717 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.247 -6.472 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.582 -5.076 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.488 -6.311 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.234 -8.716 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.475 -8.644 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.560 -8.960 7.393 1.00 0.00 H new ATOM 457 N ALA A 33 -7.680 -4.688 7.023 1.00 0.00 N ATOM 458 CA ALA A 33 -6.803 -3.620 7.486 1.00 0.00 C ATOM 459 C ALA A 33 -6.691 -2.511 6.445 1.00 0.00 C ATOM 460 O ALA A 33 -6.582 -2.779 5.248 1.00 0.00 O ATOM 461 CB ALA A 33 -5.426 -4.174 7.819 1.00 0.00 C ATOM 0 H ALA A 33 -7.939 -4.625 6.038 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.239 -3.193 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.782 -3.365 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.516 -4.925 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.992 -4.629 6.929 1.00 0.00 H new ATOM 467 N LEU A 34 -6.721 -1.266 6.908 1.00 0.00 N ATOM 468 CA LEU A 34 -6.624 -0.116 6.016 1.00 0.00 C ATOM 469 C LEU A 34 -7.604 -0.243 4.854 1.00 0.00 C ATOM 470 O LEU A 34 -7.249 -0.001 3.700 1.00 0.00 O ATOM 471 CB LEU A 34 -5.197 0.021 5.481 1.00 0.00 C ATOM 472 CG LEU A 34 -4.144 0.485 6.489 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.722 -0.666 7.388 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.939 1.071 5.769 1.00 0.00 C ATOM 0 H LEU A 34 -6.812 -1.027 7.896 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.879 0.777 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.887 -0.944 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.208 0.724 4.648 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.584 1.263 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.973 -0.317 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.590 -1.041 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.301 -1.467 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.200 1.396 6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.499 0.313 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.254 1.924 5.168 1.00 0.00 H new ATOM 486 N ASP A 35 -8.838 -0.623 5.167 1.00 0.00 N ATOM 487 CA ASP A 35 -9.871 -0.779 4.150 1.00 0.00 C ATOM 488 C ASP A 35 -9.385 -1.675 3.015 1.00 0.00 C ATOM 489 O ASP A 35 -9.825 -1.544 1.873 1.00 0.00 O ATOM 490 CB ASP A 35 -10.283 0.586 3.597 1.00 0.00 C ATOM 491 CG ASP A 35 -11.659 0.562 2.961 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.634 0.232 3.669 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.761 0.874 1.756 1.00 0.00 O ATOM 0 H ASP A 35 -9.147 -0.829 6.117 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.737 -1.250 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.271 1.320 4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.550 0.912 2.859 1.00 0.00 H new ATOM 498 N LYS A 36 -8.473 -2.587 3.337 1.00 0.00 N ATOM 499 CA LYS A 36 -7.927 -3.506 2.346 1.00 0.00 C ATOM 500 C LYS A 36 -8.010 -4.948 2.837 1.00 0.00 C ATOM 501 O LYS A 36 -8.470 -5.208 3.948 1.00 0.00 O ATOM 502 CB LYS A 36 -6.473 -3.146 2.033 1.00 0.00 C ATOM 503 CG LYS A 36 -6.322 -2.174 0.876 1.00 0.00 C ATOM 504 CD LYS A 36 -4.970 -1.481 0.901 1.00 0.00 C ATOM 505 CE LYS A 36 -4.886 -0.464 2.029 1.00 0.00 C ATOM 506 NZ LYS A 36 -3.623 0.322 1.974 1.00 0.00 N ATOM 0 H LYS A 36 -8.097 -2.709 4.277 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.521 -3.415 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.015 -2.713 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.923 -4.059 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.440 -2.708 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.115 -1.428 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.181 -2.224 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.798 -0.983 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.738 0.213 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.952 -0.979 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.604 1.004 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.810 -0.321 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.572 0.834 1.070 1.00 0.00 H new ATOM 520 N GLN A 37 -7.560 -5.879 2.002 1.00 0.00 N ATOM 521 CA GLN A 37 -7.584 -7.294 2.353 1.00 0.00 C ATOM 522 C GLN A 37 -6.194 -7.910 2.225 1.00 0.00 C ATOM 523 O GLN A 37 -5.635 -7.981 1.131 1.00 0.00 O ATOM 524 CB GLN A 37 -8.572 -8.047 1.459 1.00 0.00 C ATOM 525 CG GLN A 37 -10.028 -7.768 1.794 1.00 0.00 C ATOM 526 CD GLN A 37 -10.986 -8.413 0.812 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.847 -7.745 0.238 1.00 0.00 O ATOM 528 NE2 GLN A 37 -10.842 -9.718 0.613 1.00 0.00 N ATOM 0 H GLN A 37 -7.175 -5.679 1.079 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.906 -7.379 3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.388 -7.776 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.386 -9.117 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.242 -8.133 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.195 -6.691 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.115 -10.232 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.458 -10.206 -0.037 1.00 0.00 H new ATOM 537 N TRP A 38 -5.644 -8.353 3.350 1.00 0.00 N ATOM 538 CA TRP A 38 -4.319 -8.963 3.363 1.00 0.00 C ATOM 539 C TRP A 38 -4.368 -10.358 3.976 1.00 0.00 C ATOM 540 O TRP A 38 -5.299 -10.692 4.709 1.00 0.00 O ATOM 541 CB TRP A 38 -3.339 -8.084 4.142 1.00 0.00 C ATOM 542 CG TRP A 38 -3.600 -6.617 3.982 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.717 -5.936 4.376 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.729 -5.651 3.384 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.592 -4.605 4.059 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.381 -4.404 3.450 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.461 -5.718 2.801 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.807 -3.237 2.954 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.892 -4.558 2.308 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.564 -3.331 2.388 1.00 0.00 C ATOM 0 H TRP A 38 -6.094 -8.301 4.264 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.976 -9.052 2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.393 -8.342 5.200 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.324 -8.303 3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.572 -6.379 4.865 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.288 -3.883 4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.935 -6.659 2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.324 -2.291 3.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.087 -4.598 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.092 -2.442 1.996 1.00 0.00 H new ATOM 561 N HIS A 39 -3.359 -11.169 3.673 1.00 0.00 N ATOM 562 CA HIS A 39 -3.287 -12.528 4.196 1.00 0.00 C ATOM 563 C HIS A 39 -2.869 -12.525 5.663 1.00 0.00 C ATOM 564 O HIS A 39 -2.415 -11.507 6.188 1.00 0.00 O ATOM 565 CB HIS A 39 -2.303 -13.362 3.375 1.00 0.00 C ATOM 566 CG HIS A 39 -2.843 -13.787 2.044 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.052 -13.942 0.926 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.103 -14.092 1.657 1.00 0.00 C ATOM 569 CE1 HIS A 39 -2.802 -14.322 -0.093 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.051 -14.421 0.325 1.00 0.00 N ATOM 0 H HIS A 39 -2.580 -10.908 3.068 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.279 -12.972 4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.391 -12.785 3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.026 -14.249 3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.985 -14.079 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.453 -14.518 -1.096 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.848 -14.697 -0.249 1.00 0.00 H new ATOM 578 N VAL A 40 -3.025 -13.669 6.321 1.00 0.00 N ATOM 579 CA VAL A 40 -2.663 -13.798 7.728 1.00 0.00 C ATOM 580 C VAL A 40 -1.150 -13.810 7.907 1.00 0.00 C ATOM 581 O VAL A 40 -0.646 -13.714 9.026 1.00 0.00 O ATOM 582 CB VAL A 40 -3.252 -15.081 8.343 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.830 -15.218 9.798 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.768 -15.086 8.217 1.00 0.00 C ATOM 0 H VAL A 40 -3.400 -14.520 5.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.080 -12.932 8.243 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.862 -15.938 7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.256 -16.130 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.743 -15.264 9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.189 -14.358 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.167 -16.000 8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.179 -14.222 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.046 -15.039 7.164 1.00 0.00 H new ATOM 594 N SER A 41 -0.429 -13.926 6.796 1.00 0.00 N ATOM 595 CA SER A 41 1.029 -13.954 6.831 1.00 0.00 C ATOM 596 C SER A 41 1.614 -12.906 5.889 1.00 0.00 C ATOM 597 O SER A 41 2.765 -13.010 5.464 1.00 0.00 O ATOM 598 CB SER A 41 1.543 -15.343 6.449 1.00 0.00 C ATOM 599 OG SER A 41 0.993 -15.769 5.215 1.00 0.00 O ATOM 0 H SER A 41 -0.830 -14.002 5.861 1.00 0.00 H new ATOM 0 HA SER A 41 1.348 -13.724 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.631 -15.325 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.286 -16.057 7.231 1.00 0.00 H new ATOM 0 HG SER A 41 1.339 -16.659 4.993 1.00 0.00 H new ATOM 605 N CYS A 42 0.813 -11.897 5.566 1.00 0.00 N ATOM 606 CA CYS A 42 1.249 -10.829 4.674 1.00 0.00 C ATOM 607 C CYS A 42 1.106 -9.466 5.346 1.00 0.00 C ATOM 608 O CYS A 42 1.883 -8.548 5.083 1.00 0.00 O ATOM 609 CB CYS A 42 0.438 -10.857 3.376 1.00 0.00 C ATOM 610 SG CYS A 42 0.918 -12.189 2.229 1.00 0.00 S ATOM 0 H CYS A 42 -0.142 -11.796 5.909 1.00 0.00 H new ATOM 0 HA CYS A 42 2.301 -10.991 4.441 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.618 -10.967 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.549 -9.898 2.870 1.00 0.00 H new ATOM 615 N PHE A 43 0.108 -9.343 6.215 1.00 0.00 N ATOM 616 CA PHE A 43 -0.138 -8.093 6.924 1.00 0.00 C ATOM 617 C PHE A 43 0.922 -7.859 7.997 1.00 0.00 C ATOM 618 O PHE A 43 0.704 -8.144 9.174 1.00 0.00 O ATOM 619 CB PHE A 43 -1.529 -8.109 7.561 1.00 0.00 C ATOM 620 CG PHE A 43 -1.951 -6.776 8.111 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.862 -5.632 7.335 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.437 -6.668 9.404 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.250 -4.404 7.838 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.828 -5.443 9.912 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.733 -4.310 9.128 1.00 0.00 C ATOM 0 H PHE A 43 -0.543 -10.094 6.445 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.086 -7.278 6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.257 -8.433 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.544 -8.846 8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.485 -5.700 6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.511 -7.551 10.022 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.175 -3.520 7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.207 -5.372 10.921 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.036 -3.352 9.523 1.00 0.00 H new ATOM 635 N LYS A 44 2.072 -7.339 7.580 1.00 0.00 N ATOM 636 CA LYS A 44 3.167 -7.065 8.503 1.00 0.00 C ATOM 637 C LYS A 44 3.722 -5.660 8.287 1.00 0.00 C ATOM 638 O LYS A 44 3.426 -5.013 7.283 1.00 0.00 O ATOM 639 CB LYS A 44 4.282 -8.098 8.325 1.00 0.00 C ATOM 640 CG LYS A 44 4.436 -8.586 6.895 1.00 0.00 C ATOM 641 CD LYS A 44 4.934 -7.481 5.979 1.00 0.00 C ATOM 642 CE LYS A 44 4.990 -7.940 4.530 1.00 0.00 C ATOM 643 NZ LYS A 44 5.999 -9.016 4.327 1.00 0.00 N ATOM 0 H LYS A 44 2.270 -7.099 6.609 1.00 0.00 H new ATOM 0 HA LYS A 44 2.778 -7.131 9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.225 -7.663 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.081 -8.952 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.133 -9.423 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.478 -8.957 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.278 -6.615 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.926 -7.161 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.008 -8.301 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.230 -7.091 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.191 -9.125 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.879 -8.764 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.633 -9.912 4.708 1.00 0.00 H new ATOM 657 N CYS A 45 4.529 -5.196 9.235 1.00 0.00 N ATOM 658 CA CYS A 45 5.127 -3.869 9.149 1.00 0.00 C ATOM 659 C CYS A 45 5.695 -3.618 7.755 1.00 0.00 C ATOM 660 O CYS A 45 5.826 -4.542 6.952 1.00 0.00 O ATOM 661 CB CYS A 45 6.231 -3.715 10.196 1.00 0.00 C ATOM 662 SG CYS A 45 6.790 -1.999 10.440 1.00 0.00 S ATOM 0 H CYS A 45 4.784 -5.720 10.072 1.00 0.00 H new ATOM 0 HA CYS A 45 4.347 -3.133 9.343 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.872 -4.108 11.147 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.085 -4.325 9.901 1.00 0.00 H new ATOM 667 N GLN A 46 6.029 -2.362 7.475 1.00 0.00 N ATOM 668 CA GLN A 46 6.582 -1.990 6.179 1.00 0.00 C ATOM 669 C GLN A 46 8.067 -1.659 6.295 1.00 0.00 C ATOM 670 O GLN A 46 8.790 -1.639 5.298 1.00 0.00 O ATOM 671 CB GLN A 46 5.824 -0.794 5.602 1.00 0.00 C ATOM 672 CG GLN A 46 6.403 -0.280 4.293 1.00 0.00 C ATOM 673 CD GLN A 46 6.432 -1.342 3.211 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.493 -1.681 2.686 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.263 -1.873 2.872 1.00 0.00 N ATOM 0 H GLN A 46 5.926 -1.586 8.128 1.00 0.00 H new ATOM 0 HA GLN A 46 6.470 -2.841 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.783 -1.076 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.827 0.014 6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.813 0.569 3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.415 0.085 4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.408 -1.562 3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.220 -2.592 2.150 1.00 0.00 H new ATOM 684 N THR A 47 8.516 -1.398 7.519 1.00 0.00 N ATOM 685 CA THR A 47 9.913 -1.066 7.765 1.00 0.00 C ATOM 686 C THR A 47 10.703 -2.296 8.198 1.00 0.00 C ATOM 687 O THR A 47 11.844 -2.493 7.780 1.00 0.00 O ATOM 688 CB THR A 47 10.050 0.023 8.845 1.00 0.00 C ATOM 689 OG1 THR A 47 9.496 1.256 8.371 1.00 0.00 O ATOM 690 CG2 THR A 47 11.508 0.230 9.224 1.00 0.00 C ATOM 0 H THR A 47 7.932 -1.410 8.355 1.00 0.00 H new ATOM 0 HA THR A 47 10.318 -0.689 6.826 1.00 0.00 H new ATOM 0 HB THR A 47 9.504 -0.304 9.730 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.568 1.336 8.674 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.579 1.004 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.919 -0.702 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.073 0.537 8.344 1.00 0.00 H new ATOM 698 N CYS A 48 10.088 -3.123 9.037 1.00 0.00 N ATOM 699 CA CYS A 48 10.733 -4.335 9.527 1.00 0.00 C ATOM 700 C CYS A 48 10.097 -5.577 8.908 1.00 0.00 C ATOM 701 O CYS A 48 10.728 -6.631 8.818 1.00 0.00 O ATOM 702 CB CYS A 48 10.639 -4.407 11.052 1.00 0.00 C ATOM 703 SG CYS A 48 8.943 -4.614 11.684 1.00 0.00 S ATOM 0 H CYS A 48 9.143 -2.976 9.392 1.00 0.00 H new ATOM 0 HA CYS A 48 11.783 -4.302 9.236 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.250 -5.238 11.404 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.064 -3.497 11.475 1.00 0.00 H new ATOM 708 N SER A 49 8.845 -5.445 8.483 1.00 0.00 N ATOM 709 CA SER A 49 8.122 -6.557 7.876 1.00 0.00 C ATOM 710 C SER A 49 7.776 -7.614 8.920 1.00 0.00 C ATOM 711 O SER A 49 8.082 -8.795 8.750 1.00 0.00 O ATOM 712 CB SER A 49 8.956 -7.184 6.756 1.00 0.00 C ATOM 713 OG SER A 49 8.128 -7.837 5.810 1.00 0.00 O ATOM 0 H SER A 49 8.310 -4.579 8.548 1.00 0.00 H new ATOM 0 HA SER A 49 7.194 -6.169 7.455 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.543 -6.412 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.662 -7.898 7.180 1.00 0.00 H new ATOM 0 HG SER A 49 8.610 -8.597 5.423 1.00 0.00 H new ATOM 719 N VAL A 50 7.135 -7.182 10.001 1.00 0.00 N ATOM 720 CA VAL A 50 6.744 -8.089 11.073 1.00 0.00 C ATOM 721 C VAL A 50 5.230 -8.250 11.133 1.00 0.00 C ATOM 722 O VAL A 50 4.487 -7.275 11.014 1.00 0.00 O ATOM 723 CB VAL A 50 7.252 -7.594 12.440 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.437 -6.400 12.912 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.207 -8.718 13.464 1.00 0.00 C ATOM 0 H VAL A 50 6.875 -6.208 10.158 1.00 0.00 H new ATOM 0 HA VAL A 50 7.200 -9.054 10.852 1.00 0.00 H new ATOM 0 HB VAL A 50 8.288 -7.275 12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.810 -6.064 13.879 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.525 -5.590 12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.390 -6.689 13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.569 -8.350 14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.181 -9.069 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.838 -9.541 13.129 1.00 0.00 H new ATOM 735 N ILE A 51 4.778 -9.485 11.319 1.00 0.00 N ATOM 736 CA ILE A 51 3.351 -9.773 11.397 1.00 0.00 C ATOM 737 C ILE A 51 2.651 -8.823 12.363 1.00 0.00 C ATOM 738 O ILE A 51 3.162 -8.533 13.445 1.00 0.00 O ATOM 739 CB ILE A 51 3.093 -11.224 11.844 1.00 0.00 C ATOM 740 CG1 ILE A 51 3.760 -12.205 10.877 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.598 -11.493 11.932 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.220 -12.123 9.466 1.00 0.00 C ATOM 0 H ILE A 51 5.379 -10.303 11.419 1.00 0.00 H new ATOM 0 HA ILE A 51 2.945 -9.633 10.395 1.00 0.00 H new ATOM 0 HB ILE A 51 3.527 -11.366 12.834 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.833 -12.012 10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.625 -13.220 11.251 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.432 -12.523 12.249 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.148 -10.813 12.656 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.142 -11.336 10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.738 -12.846 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.153 -12.345 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.380 -11.119 9.073 1.00 0.00 H new ATOM 754 N LEU A 52 1.477 -8.344 11.965 1.00 0.00 N ATOM 755 CA LEU A 52 0.704 -7.428 12.796 1.00 0.00 C ATOM 756 C LEU A 52 -0.711 -7.954 13.017 1.00 0.00 C ATOM 757 O LEU A 52 -1.542 -7.931 12.109 1.00 0.00 O ATOM 758 CB LEU A 52 0.650 -6.043 12.149 1.00 0.00 C ATOM 759 CG LEU A 52 1.998 -5.414 11.797 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.814 -4.282 10.797 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.696 -4.911 13.052 1.00 0.00 C ATOM 0 H LEU A 52 1.040 -8.575 11.073 1.00 0.00 H new ATOM 0 HA LEU A 52 1.198 -7.351 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.055 -6.112 11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.122 -5.369 12.824 1.00 0.00 H new ATOM 0 HG LEU A 52 2.625 -6.178 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.784 -3.846 10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.357 -4.671 9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.169 -3.517 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.654 -4.466 12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.073 -4.161 13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.862 -5.744 13.735 1.00 0.00 H new ATOM 773 N THR A 53 -0.978 -8.428 14.230 1.00 0.00 N ATOM 774 CA THR A 53 -2.292 -8.959 14.570 1.00 0.00 C ATOM 775 C THR A 53 -2.794 -8.381 15.888 1.00 0.00 C ATOM 776 O THR A 53 -3.976 -8.073 16.032 1.00 0.00 O ATOM 777 CB THR A 53 -2.267 -10.496 14.672 1.00 0.00 C ATOM 778 OG1 THR A 53 -3.464 -10.964 15.305 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.054 -10.966 15.460 1.00 0.00 C ATOM 0 H THR A 53 -0.302 -8.455 14.993 1.00 0.00 H new ATOM 0 HA THR A 53 -2.969 -8.667 13.767 1.00 0.00 H new ATOM 0 HB THR A 53 -2.206 -10.905 13.663 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.442 -11.942 15.365 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.058 -12.054 15.519 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.144 -10.633 14.961 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.090 -10.548 16.466 1.00 0.00 H new ATOM 787 N GLY A 54 -1.887 -8.236 16.850 1.00 0.00 N ATOM 788 CA GLY A 54 -2.258 -7.695 18.144 1.00 0.00 C ATOM 789 C GLY A 54 -2.351 -6.182 18.134 1.00 0.00 C ATOM 790 O GLY A 54 -3.440 -5.621 18.250 1.00 0.00 O ATOM 0 H GLY A 54 -0.902 -8.484 16.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.218 -8.113 18.448 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.525 -8.006 18.888 1.00 0.00 H new ATOM 794 N GLU A 55 -1.206 -5.521 17.998 1.00 0.00 N ATOM 795 CA GLU A 55 -1.164 -4.063 17.977 1.00 0.00 C ATOM 796 C GLU A 55 -0.331 -3.560 16.802 1.00 0.00 C ATOM 797 O GLU A 55 0.756 -4.072 16.532 1.00 0.00 O ATOM 798 CB GLU A 55 -0.588 -3.528 19.290 1.00 0.00 C ATOM 799 CG GLU A 55 -1.541 -3.650 20.467 1.00 0.00 C ATOM 800 CD GLU A 55 -1.056 -2.897 21.691 1.00 0.00 C ATOM 801 OE1 GLU A 55 -1.126 -1.650 21.688 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.606 -3.556 22.652 1.00 0.00 O ATOM 0 H GLU A 55 -0.296 -5.971 17.901 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.184 -3.697 17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.331 -4.067 19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.319 -2.480 19.159 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.521 -3.271 20.177 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.668 -4.703 20.719 1.00 0.00 H new ATOM 809 N TYR A 56 -0.850 -2.555 16.105 1.00 0.00 N ATOM 810 CA TYR A 56 -0.157 -1.984 14.956 1.00 0.00 C ATOM 811 C TYR A 56 -0.656 -0.572 14.665 1.00 0.00 C ATOM 812 O TYR A 56 -1.769 -0.205 15.044 1.00 0.00 O ATOM 813 CB TYR A 56 -0.352 -2.869 13.724 1.00 0.00 C ATOM 814 CG TYR A 56 -1.569 -2.506 12.904 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.494 -1.552 11.897 1.00 0.00 C ATOM 816 CD2 TYR A 56 -2.795 -3.118 13.137 1.00 0.00 C ATOM 817 CE1 TYR A 56 -2.604 -1.217 11.146 1.00 0.00 C ATOM 818 CE2 TYR A 56 -3.910 -2.790 12.390 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.810 -1.839 11.396 1.00 0.00 C ATOM 820 OH TYR A 56 -4.917 -1.509 10.649 1.00 0.00 O ATOM 0 H TYR A 56 -1.748 -2.119 16.316 1.00 0.00 H new ATOM 0 HA TYR A 56 0.905 -1.933 15.194 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.534 -2.800 13.093 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.436 -3.908 14.043 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.551 -1.064 11.698 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.877 -3.862 13.915 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.528 -0.472 10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.855 -3.276 12.583 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.685 -2.038 10.951 1.00 0.00 H new ATOM 830 N ILE A 57 0.175 0.215 13.990 1.00 0.00 N ATOM 831 CA ILE A 57 -0.182 1.586 13.647 1.00 0.00 C ATOM 832 C ILE A 57 -0.078 1.821 12.144 1.00 0.00 C ATOM 833 O ILE A 57 0.908 1.440 11.512 1.00 0.00 O ATOM 834 CB ILE A 57 0.717 2.601 14.377 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.979 2.143 15.813 1.00 0.00 C ATOM 836 CG2 ILE A 57 0.077 3.981 14.364 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.240 2.727 16.413 1.00 0.00 C ATOM 0 H ILE A 57 1.100 -0.073 13.670 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.214 1.733 13.965 1.00 0.00 H new ATOM 0 HB ILE A 57 1.672 2.660 13.854 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.128 2.420 16.435 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.047 1.055 15.832 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.724 4.687 14.884 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.063 4.308 13.334 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.890 3.938 14.865 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.362 2.359 17.432 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.100 2.428 15.814 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.167 3.814 16.426 1.00 0.00 H new ATOM 849 N SER A 58 -1.102 2.452 11.577 1.00 0.00 N ATOM 850 CA SER A 58 -1.127 2.736 10.147 1.00 0.00 C ATOM 851 C SER A 58 -0.642 4.155 9.867 1.00 0.00 C ATOM 852 O SER A 58 -1.073 5.111 10.512 1.00 0.00 O ATOM 853 CB SER A 58 -2.541 2.550 9.593 1.00 0.00 C ATOM 854 OG SER A 58 -3.366 3.654 9.921 1.00 0.00 O ATOM 0 H SER A 58 -1.924 2.776 12.086 1.00 0.00 H new ATOM 0 HA SER A 58 -0.455 2.036 9.651 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.498 2.433 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.975 1.635 9.996 1.00 0.00 H new ATOM 0 HG SER A 58 -4.264 3.512 9.554 1.00 0.00 H new ATOM 860 N LYS A 59 0.260 4.285 8.899 1.00 0.00 N ATOM 861 CA LYS A 59 0.805 5.586 8.530 1.00 0.00 C ATOM 862 C LYS A 59 0.751 5.790 7.019 1.00 0.00 C ATOM 863 O LYS A 59 1.154 4.917 6.251 1.00 0.00 O ATOM 864 CB LYS A 59 2.249 5.715 9.021 1.00 0.00 C ATOM 865 CG LYS A 59 2.628 7.128 9.430 1.00 0.00 C ATOM 866 CD LYS A 59 2.842 8.020 8.218 1.00 0.00 C ATOM 867 CE LYS A 59 2.512 9.472 8.530 1.00 0.00 C ATOM 868 NZ LYS A 59 2.006 10.195 7.330 1.00 0.00 N ATOM 0 H LYS A 59 0.629 3.504 8.356 1.00 0.00 H new ATOM 0 HA LYS A 59 0.196 6.355 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.396 5.048 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.923 5.381 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.843 7.549 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.538 7.103 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.878 7.944 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.218 7.673 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.763 9.513 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.403 9.974 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.808 11.185 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.723 10.164 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.132 9.742 6.994 1.00 0.00 H new ATOM 882 N ASP A 60 0.252 6.948 6.601 1.00 0.00 N ATOM 883 CA ASP A 60 0.148 7.268 5.182 1.00 0.00 C ATOM 884 C ASP A 60 -0.285 6.044 4.380 1.00 0.00 C ATOM 885 O ASP A 60 0.181 5.825 3.263 1.00 0.00 O ATOM 886 CB ASP A 60 1.485 7.791 4.656 1.00 0.00 C ATOM 887 CG ASP A 60 1.363 8.406 3.276 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.261 8.882 2.934 1.00 0.00 O ATOM 889 OD2 ASP A 60 2.370 8.411 2.537 1.00 0.00 O ATOM 0 H ASP A 60 -0.087 7.681 7.224 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.608 8.044 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.879 8.535 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.205 6.973 4.624 1.00 0.00 H new ATOM 894 N GLY A 61 -1.180 5.249 4.959 1.00 0.00 N ATOM 895 CA GLY A 61 -1.660 4.057 4.285 1.00 0.00 C ATOM 896 C GLY A 61 -0.643 2.933 4.301 1.00 0.00 C ATOM 897 O GLY A 61 -0.519 2.184 3.332 1.00 0.00 O ATOM 0 H GLY A 61 -1.581 5.409 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.579 3.718 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.909 4.303 3.253 1.00 0.00 H new ATOM 901 N VAL A 62 0.088 2.814 5.405 1.00 0.00 N ATOM 902 CA VAL A 62 1.099 1.773 5.544 1.00 0.00 C ATOM 903 C VAL A 62 1.140 1.233 6.968 1.00 0.00 C ATOM 904 O VAL A 62 1.326 1.973 7.935 1.00 0.00 O ATOM 905 CB VAL A 62 2.498 2.296 5.165 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.503 1.154 5.129 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.452 3.018 3.827 1.00 0.00 C ATOM 0 H VAL A 62 -0.001 3.426 6.216 1.00 0.00 H new ATOM 0 HA VAL A 62 0.822 0.969 4.862 1.00 0.00 H new ATOM 0 HB VAL A 62 2.819 3.008 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.485 1.542 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.555 0.684 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.189 0.416 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.448 3.381 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.110 2.330 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.765 3.861 3.892 1.00 0.00 H new ATOM 917 N PRO A 63 0.961 -0.090 7.105 1.00 0.00 N ATOM 918 CA PRO A 63 0.974 -0.760 8.408 1.00 0.00 C ATOM 919 C PRO A 63 2.365 -0.784 9.034 1.00 0.00 C ATOM 920 O PRO A 63 3.330 -1.221 8.408 1.00 0.00 O ATOM 921 CB PRO A 63 0.511 -2.182 8.081 1.00 0.00 C ATOM 922 CG PRO A 63 0.877 -2.379 6.650 1.00 0.00 C ATOM 923 CD PRO A 63 0.734 -1.033 5.997 1.00 0.00 C ATOM 0 HA PRO A 63 0.344 -0.248 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.003 -2.915 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.562 -2.294 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.897 -2.752 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.224 -3.113 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.461 -0.895 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.254 -0.904 5.555 1.00 0.00 H new ATOM 931 N TYR A 64 2.459 -0.312 10.272 1.00 0.00 N ATOM 932 CA TYR A 64 3.732 -0.277 10.982 1.00 0.00 C ATOM 933 C TYR A 64 3.586 -0.843 12.391 1.00 0.00 C ATOM 934 O TYR A 64 2.483 -0.908 12.936 1.00 0.00 O ATOM 935 CB TYR A 64 4.265 1.155 11.048 1.00 0.00 C ATOM 936 CG TYR A 64 4.762 1.678 9.719 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.939 1.200 9.158 1.00 0.00 C ATOM 938 CD2 TYR A 64 4.053 2.650 9.024 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.397 1.676 7.945 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.502 3.131 7.810 1.00 0.00 C ATOM 941 CZ TYR A 64 5.675 2.641 7.274 1.00 0.00 C ATOM 942 OH TYR A 64 6.127 3.116 6.065 1.00 0.00 O ATOM 0 H TYR A 64 1.669 0.052 10.805 1.00 0.00 H new ATOM 0 HA TYR A 64 4.442 -0.896 10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.476 1.811 11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.078 1.198 11.773 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.506 0.443 9.679 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.134 3.036 9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.316 1.295 7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.938 3.887 7.283 1.00 0.00 H new ATOM 0 HH TYR A 64 5.503 3.790 5.724 1.00 0.00 H new ATOM 952 N CYS A 65 4.707 -1.251 12.977 1.00 0.00 N ATOM 953 CA CYS A 65 4.706 -1.811 14.323 1.00 0.00 C ATOM 954 C CYS A 65 5.020 -0.736 15.360 1.00 0.00 C ATOM 955 O CYS A 65 5.497 0.346 15.021 1.00 0.00 O ATOM 956 CB CYS A 65 5.725 -2.947 14.426 1.00 0.00 C ATOM 957 SG CYS A 65 7.446 -2.432 14.124 1.00 0.00 S ATOM 0 H CYS A 65 5.628 -1.204 12.541 1.00 0.00 H new ATOM 0 HA CYS A 65 3.710 -2.206 14.524 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.659 -3.391 15.419 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.459 -3.725 13.711 1.00 0.00 H new ATOM 962 N GLU A 66 4.750 -1.044 16.625 1.00 0.00 N ATOM 963 CA GLU A 66 5.003 -0.104 17.710 1.00 0.00 C ATOM 964 C GLU A 66 6.498 0.171 17.854 1.00 0.00 C ATOM 965 O GLU A 66 6.911 1.016 18.648 1.00 0.00 O ATOM 966 CB GLU A 66 4.446 -0.649 19.027 1.00 0.00 C ATOM 967 CG GLU A 66 2.978 -1.037 18.952 1.00 0.00 C ATOM 968 CD GLU A 66 2.263 -0.872 20.278 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.285 -1.822 21.088 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.680 0.209 20.507 1.00 0.00 O ATOM 0 H GLU A 66 4.356 -1.937 16.923 1.00 0.00 H new ATOM 0 HA GLU A 66 4.499 0.832 17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.029 -1.520 19.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.575 0.103 19.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.483 -0.426 18.198 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.896 -2.074 18.626 1.00 0.00 H new ATOM 977 N SER A 67 7.303 -0.549 17.079 1.00 0.00 N ATOM 978 CA SER A 67 8.751 -0.386 17.122 1.00 0.00 C ATOM 979 C SER A 67 9.208 0.679 16.130 1.00 0.00 C ATOM 980 O SER A 67 9.620 1.771 16.522 1.00 0.00 O ATOM 981 CB SER A 67 9.445 -1.715 16.816 1.00 0.00 C ATOM 982 OG SER A 67 10.812 -1.674 17.185 1.00 0.00 O ATOM 0 H SER A 67 6.977 -1.250 16.414 1.00 0.00 H new ATOM 0 HA SER A 67 9.025 -0.064 18.127 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.945 -2.522 17.352 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.359 -1.937 15.752 1.00 0.00 H new ATOM 0 HG SER A 67 11.232 -2.536 16.981 1.00 0.00 H new ATOM 988 N ASP A 68 9.132 0.353 14.845 1.00 0.00 N ATOM 989 CA ASP A 68 9.536 1.281 13.795 1.00 0.00 C ATOM 990 C ASP A 68 8.744 2.582 13.886 1.00 0.00 C ATOM 991 O ASP A 68 9.319 3.661 14.030 1.00 0.00 O ATOM 992 CB ASP A 68 9.339 0.644 12.419 1.00 0.00 C ATOM 993 CG ASP A 68 10.325 -0.476 12.153 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.490 -0.357 12.587 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.933 -1.472 11.509 1.00 0.00 O ATOM 0 H ASP A 68 8.794 -0.547 14.505 1.00 0.00 H new ATOM 0 HA ASP A 68 10.593 1.510 13.932 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.323 0.255 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.446 1.408 11.649 1.00 0.00 H new ATOM 1000 N TYR A 69 7.424 2.471 13.799 1.00 0.00 N ATOM 1001 CA TYR A 69 6.553 3.639 13.867 1.00 0.00 C ATOM 1002 C TYR A 69 6.992 4.581 14.984 1.00 0.00 C ATOM 1003 O TYR A 69 7.269 5.757 14.748 1.00 0.00 O ATOM 1004 CB TYR A 69 5.102 3.207 14.089 1.00 0.00 C ATOM 1005 CG TYR A 69 4.110 4.343 13.983 1.00 0.00 C ATOM 1006 CD1 TYR A 69 4.017 5.307 14.979 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.265 4.452 12.885 1.00 0.00 C ATOM 1008 CE1 TYR A 69 3.111 6.346 14.886 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.357 5.488 12.782 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.283 6.432 13.786 1.00 0.00 C ATOM 1011 OH TYR A 69 1.381 7.466 13.688 1.00 0.00 O ATOM 0 H TYR A 69 6.933 1.585 13.681 1.00 0.00 H new ATOM 0 HA TYR A 69 6.625 4.171 12.918 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.844 2.441 13.358 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.014 2.750 15.075 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.664 5.243 15.841 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.319 3.714 12.098 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.051 7.086 15.670 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.709 5.559 11.921 1.00 0.00 H new ATOM 0 HH TYR A 69 0.875 7.381 12.853 1.00 0.00 H new ATOM 1021 N HIS A 70 7.053 4.055 16.203 1.00 0.00 N ATOM 1022 CA HIS A 70 7.460 4.847 17.359 1.00 0.00 C ATOM 1023 C HIS A 70 8.829 5.478 17.130 1.00 0.00 C ATOM 1024 O HIS A 70 9.171 6.485 17.750 1.00 0.00 O ATOM 1025 CB HIS A 70 7.490 3.976 18.615 1.00 0.00 C ATOM 1026 CG HIS A 70 6.157 3.846 19.286 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.911 4.298 20.565 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.994 3.311 18.847 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.654 4.045 20.884 1.00 0.00 C ATOM 1030 NE2 HIS A 70 4.075 3.447 19.858 1.00 0.00 N ATOM 0 H HIS A 70 6.826 3.084 16.416 1.00 0.00 H new ATOM 0 HA HIS A 70 6.731 5.645 17.497 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.852 2.983 18.350 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.204 4.397 19.322 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.821 2.861 17.881 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.180 4.286 21.824 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.104 3.137 19.823 1.00 0.00 H new ATOM 1039 N ALA A 71 9.609 4.880 16.235 1.00 0.00 N ATOM 1040 CA ALA A 71 10.941 5.385 15.924 1.00 0.00 C ATOM 1041 C ALA A 71 10.905 6.326 14.724 1.00 0.00 C ATOM 1042 O ALA A 71 11.796 7.156 14.549 1.00 0.00 O ATOM 1043 CB ALA A 71 11.895 4.229 15.662 1.00 0.00 C ATOM 0 H ALA A 71 9.342 4.046 15.713 1.00 0.00 H new ATOM 0 HA ALA A 71 11.299 5.950 16.785 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.886 4.620 15.431 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.952 3.596 16.548 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.531 3.641 14.819 1.00 0.00 H new ATOM 1049 N GLN A 72 9.870 6.189 13.902 1.00 0.00 N ATOM 1050 CA GLN A 72 9.719 7.027 12.718 1.00 0.00 C ATOM 1051 C GLN A 72 9.022 8.338 13.064 1.00 0.00 C ATOM 1052 O GLN A 72 9.595 9.417 12.914 1.00 0.00 O ATOM 1053 CB GLN A 72 8.929 6.285 11.639 1.00 0.00 C ATOM 1054 CG GLN A 72 9.808 5.541 10.645 1.00 0.00 C ATOM 1055 CD GLN A 72 9.019 4.589 9.767 1.00 0.00 C ATOM 1056 OE1 GLN A 72 8.989 4.734 8.545 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.375 3.608 10.388 1.00 0.00 N ATOM 0 H GLN A 72 9.124 5.506 14.034 1.00 0.00 H new ATOM 0 HA GLN A 72 10.714 7.256 12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.255 5.575 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.308 7.000 11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.329 6.262 10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.570 4.982 11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.428 3.526 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.827 2.936 9.850 1.00 0.00 H new ATOM 1066 N PHE A 73 7.780 8.238 13.528 1.00 0.00 N ATOM 1067 CA PHE A 73 7.003 9.416 13.894 1.00 0.00 C ATOM 1068 C PHE A 73 6.706 9.428 15.391 1.00 0.00 C ATOM 1069 O PHE A 73 5.774 10.091 15.845 1.00 0.00 O ATOM 1070 CB PHE A 73 5.694 9.456 13.103 1.00 0.00 C ATOM 1071 CG PHE A 73 5.863 9.119 11.649 1.00 0.00 C ATOM 1072 CD1 PHE A 73 6.079 7.810 11.248 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.804 10.110 10.682 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.235 7.497 9.911 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.959 9.803 9.344 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.174 8.494 8.958 1.00 0.00 C ATOM 0 H PHE A 73 7.291 7.353 13.659 1.00 0.00 H new ATOM 0 HA PHE A 73 7.593 10.300 13.651 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.987 8.757 13.550 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.257 10.451 13.189 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.126 7.026 11.989 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.635 11.135 10.978 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.405 6.473 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.912 10.585 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.294 8.251 7.913 1.00 0.00 H new ATOM 1086 N GLY A 74 7.506 8.688 16.153 1.00 0.00 N ATOM 1087 CA GLY A 74 7.312 8.626 17.590 1.00 0.00 C ATOM 1088 C GLY A 74 8.466 9.241 18.357 1.00 0.00 C ATOM 1089 O GLY A 74 8.266 9.853 19.406 1.00 0.00 O ATOM 0 H GLY A 74 8.284 8.131 15.801 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.389 9.143 17.852 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.191 7.586 17.893 1.00 0.00 H new ATOM 1093 N SER A 75 9.677 9.076 17.834 1.00 0.00 N ATOM 1094 CA SER A 75 10.868 9.616 18.480 1.00 0.00 C ATOM 1095 C SER A 75 11.863 10.127 17.444 1.00 0.00 C ATOM 1096 O SER A 75 12.267 9.396 16.540 1.00 0.00 O ATOM 1097 CB SER A 75 11.528 8.547 19.354 1.00 0.00 C ATOM 1098 OG SER A 75 12.319 9.137 20.371 1.00 0.00 O ATOM 0 H SER A 75 9.859 8.573 16.965 1.00 0.00 H new ATOM 0 HA SER A 75 10.563 10.453 19.109 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.761 7.917 19.805 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.149 7.900 18.735 1.00 0.00 H new ATOM 0 HG SER A 75 12.728 8.433 20.917 1.00 0.00 H new ATOM 1104 N GLY A 76 12.255 11.391 17.582 1.00 0.00 N ATOM 1105 CA GLY A 76 13.200 11.980 16.651 1.00 0.00 C ATOM 1106 C GLY A 76 13.367 13.472 16.862 1.00 0.00 C ATOM 1107 O GLY A 76 12.569 14.281 16.389 1.00 0.00 O ATOM 0 H GLY A 76 11.935 12.017 18.321 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.167 11.490 16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.863 11.796 15.631 1.00 0.00 H new ATOM 1111 N PRO A 77 14.426 13.855 17.590 1.00 0.00 N ATOM 1112 CA PRO A 77 14.720 15.262 17.881 1.00 0.00 C ATOM 1113 C PRO A 77 15.171 16.027 16.642 1.00 0.00 C ATOM 1114 O PRO A 77 14.673 17.117 16.358 1.00 0.00 O ATOM 1115 CB PRO A 77 15.856 15.183 18.904 1.00 0.00 C ATOM 1116 CG PRO A 77 16.513 13.872 18.641 1.00 0.00 C ATOM 1117 CD PRO A 77 15.419 12.945 18.186 1.00 0.00 C ATOM 0 HA PRO A 77 13.841 15.796 18.241 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.557 16.009 18.781 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.475 15.237 19.924 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.285 13.969 17.878 1.00 0.00 H new ATOM 0 HG3 PRO A 77 16.999 13.491 19.540 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.784 12.218 17.461 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.998 12.381 19.018 1.00 0.00 H new ATOM 1125 N SER A 78 16.117 15.450 15.907 1.00 0.00 N ATOM 1126 CA SER A 78 16.637 16.081 14.699 1.00 0.00 C ATOM 1127 C SER A 78 16.039 15.440 13.451 1.00 0.00 C ATOM 1128 O SER A 78 15.698 14.257 13.449 1.00 0.00 O ATOM 1129 CB SER A 78 18.163 15.974 14.660 1.00 0.00 C ATOM 1130 OG SER A 78 18.727 17.013 13.879 1.00 0.00 O ATOM 0 H SER A 78 16.539 14.548 16.127 1.00 0.00 H new ATOM 0 HA SER A 78 16.353 17.133 14.717 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.560 16.021 15.674 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.453 15.007 14.248 1.00 0.00 H new ATOM 0 HG SER A 78 19.703 16.923 13.871 1.00 0.00 H new ATOM 1136 N SER A 79 15.914 16.231 12.389 1.00 0.00 N ATOM 1137 CA SER A 79 15.353 15.743 11.135 1.00 0.00 C ATOM 1138 C SER A 79 15.723 16.668 9.979 1.00 0.00 C ATOM 1139 O SER A 79 16.366 17.698 10.174 1.00 0.00 O ATOM 1140 CB SER A 79 13.832 15.627 11.243 1.00 0.00 C ATOM 1141 OG SER A 79 13.454 14.378 11.797 1.00 0.00 O ATOM 0 H SER A 79 16.194 17.212 12.373 1.00 0.00 H new ATOM 0 HA SER A 79 15.772 14.756 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.446 16.436 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.384 15.741 10.256 1.00 0.00 H new ATOM 0 HG SER A 79 14.141 14.079 12.428 1.00 0.00 H new ATOM 1147 N GLY A 80 15.311 16.290 8.772 1.00 0.00 N ATOM 1148 CA GLY A 80 15.608 17.095 7.602 1.00 0.00 C ATOM 1149 C GLY A 80 14.604 18.212 7.396 1.00 0.00 C ATOM 1150 O GLY A 80 14.854 19.332 7.840 1.00 0.00 O ATOM 0 H GLY A 80 14.777 15.441 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.606 17.522 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.622 16.456 6.719 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.771 -12.285 0.715 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.390 -2.348 12.181 1.00 0.00 ZN