USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 5 TYR OH : rot 75:sc= 0.358 USER MOD Set 1.2: A 34 CYS SG : rot 103:sc= 0.356 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0515 (180deg=-0.541) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -170:sc= 0.527 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.157 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.609 USER MOD Single : A 31 CYS SG : rot -171:sc= 0.379 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.629 K(o=0.63,f=-0.019) USER MOD Single : A 38 GLN : amide:sc= 0.711 K(o=0.71,f=-0.27) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00631 USER MOD Single : A 53 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-2) USER MOD Single : A 55 LYS NZ :NH3+ 135:sc= 0.0854 (180deg=0) USER MOD Single : A 67 SER OG : rot 83:sc= 0.00369 USER MOD Single : A 69 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.19) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0.644 (180deg=0.641) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.559 5.739 11.190 1.00 0.00 N ATOM 2 CA MET A 1 10.179 4.446 11.508 1.00 0.00 C ATOM 3 C MET A 1 9.264 3.272 11.121 1.00 0.00 C ATOM 4 O MET A 1 9.739 2.229 10.672 1.00 0.00 O ATOM 5 CB MET A 1 10.519 4.379 13.010 1.00 0.00 C ATOM 6 CG MET A 1 11.482 5.493 13.446 1.00 0.00 C ATOM 7 SD MET A 1 11.893 5.461 15.205 1.00 0.00 S ATOM 8 CE MET A 1 12.939 6.935 15.286 1.00 0.00 C ATOM 0 H1 MET A 1 10.287 6.482 11.188 1.00 0.00 H new ATOM 0 H2 MET A 1 9.113 5.689 10.252 1.00 0.00 H new ATOM 0 H3 MET A 1 8.838 5.963 11.905 1.00 0.00 H new ATOM 0 HA MET A 1 11.096 4.361 10.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.599 4.450 13.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.964 3.410 13.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.402 5.412 12.867 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.038 6.459 13.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.289 7.077 16.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.795 6.811 14.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.363 7.807 14.976 1.00 0.00 H new ATOM 16 N LYS A 2 7.946 3.459 11.218 1.00 0.00 N ATOM 17 CA LYS A 2 6.906 2.464 10.879 1.00 0.00 C ATOM 18 C LYS A 2 6.762 2.191 9.363 1.00 0.00 C ATOM 19 O LYS A 2 5.927 1.379 8.946 1.00 0.00 O ATOM 20 CB LYS A 2 5.570 2.918 11.506 1.00 0.00 C ATOM 21 CG LYS A 2 5.597 3.182 13.027 1.00 0.00 C ATOM 22 CD LYS A 2 6.007 1.960 13.864 1.00 0.00 C ATOM 23 CE LYS A 2 6.004 2.255 15.373 1.00 0.00 C ATOM 24 NZ LYS A 2 4.636 2.453 15.928 1.00 0.00 N ATOM 0 H LYS A 2 7.550 4.340 11.547 1.00 0.00 H new ATOM 0 HA LYS A 2 7.215 1.506 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.246 3.830 11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.817 2.157 11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.289 3.999 13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.609 3.514 13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.325 1.136 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.002 1.634 13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.487 1.431 15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.599 3.148 15.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.700 2.648 16.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.180 3.256 15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.071 1.593 15.775 1.00 0.00 H new ATOM 34 N THR A 3 7.582 2.854 8.535 1.00 0.00 N ATOM 35 CA THR A 3 7.731 2.666 7.083 1.00 0.00 C ATOM 36 C THR A 3 8.440 1.365 6.715 1.00 0.00 C ATOM 37 O THR A 3 8.340 0.945 5.560 1.00 0.00 O ATOM 38 CB THR A 3 8.515 3.851 6.503 1.00 0.00 C ATOM 39 OG1 THR A 3 9.722 3.999 7.228 1.00 0.00 O ATOM 40 CG2 THR A 3 7.731 5.157 6.584 1.00 0.00 C ATOM 0 H THR A 3 8.201 3.585 8.885 1.00 0.00 H new ATOM 0 HA THR A 3 6.728 2.611 6.661 1.00 0.00 H new ATOM 0 HB THR A 3 8.707 3.641 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.155 4.841 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.327 5.966 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.802 5.059 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.503 5.380 7.626 1.00 0.00 H new ATOM 48 N ARG A 4 9.153 0.725 7.652 1.00 0.00 N ATOM 49 CA ARG A 4 9.848 -0.554 7.456 1.00 0.00 C ATOM 50 C ARG A 4 8.893 -1.684 7.014 1.00 0.00 C ATOM 51 O ARG A 4 7.723 -1.728 7.396 1.00 0.00 O ATOM 52 CB ARG A 4 10.601 -0.934 8.744 1.00 0.00 C ATOM 53 CG ARG A 4 12.113 -0.642 8.717 1.00 0.00 C ATOM 54 CD ARG A 4 12.498 0.808 9.022 1.00 0.00 C ATOM 55 NE ARG A 4 12.093 1.757 7.966 1.00 0.00 N ATOM 56 CZ ARG A 4 12.773 2.091 6.876 1.00 0.00 C ATOM 57 NH1 ARG A 4 13.912 1.520 6.545 1.00 0.00 N ATOM 58 NH2 ARG A 4 12.300 3.032 6.086 1.00 0.00 N ATOM 0 H ARG A 4 9.265 1.095 8.596 1.00 0.00 H new ATOM 0 HA ARG A 4 10.564 -0.426 6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.156 -0.396 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.454 -1.997 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.606 -1.293 9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.501 -0.906 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.039 1.107 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.578 0.868 9.160 1.00 0.00 H new ATOM 0 HE ARG A 4 11.186 2.208 8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.306 0.788 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.400 1.809 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.420 3.495 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.813 3.298 5.245 1.00 0.00 H new ATOM 69 N TYR A 5 9.407 -2.595 6.188 1.00 0.00 N ATOM 70 CA TYR A 5 8.629 -3.621 5.478 1.00 0.00 C ATOM 71 C TYR A 5 8.543 -4.976 6.208 1.00 0.00 C ATOM 72 O TYR A 5 9.300 -5.245 7.144 1.00 0.00 O ATOM 73 CB TYR A 5 9.229 -3.800 4.070 1.00 0.00 C ATOM 74 CG TYR A 5 8.669 -2.826 3.057 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.912 -1.449 3.173 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.825 -3.311 2.038 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.374 -0.555 2.233 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.277 -2.419 1.091 1.00 0.00 C ATOM 79 CZ TYR A 5 7.602 -1.042 1.159 1.00 0.00 C ATOM 80 OH TYR A 5 7.203 -0.169 0.193 1.00 0.00 O ATOM 0 H TYR A 5 10.405 -2.644 5.986 1.00 0.00 H new ATOM 0 HA TYR A 5 7.600 -3.266 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.311 -3.676 4.124 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.041 -4.818 3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.515 -1.075 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.597 -4.365 1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.552 0.506 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.615 -2.784 0.320 1.00 0.00 H new ATOM 0 HH TYR A 5 7.963 0.048 -0.386 1.00 0.00 H new ATOM 89 N SER A 6 7.620 -5.831 5.753 1.00 0.00 N ATOM 90 CA SER A 6 7.368 -7.160 6.318 1.00 0.00 C ATOM 91 C SER A 6 7.407 -8.277 5.254 1.00 0.00 C ATOM 92 O SER A 6 6.668 -8.250 4.263 1.00 0.00 O ATOM 93 CB SER A 6 5.995 -7.188 7.012 1.00 0.00 C ATOM 94 OG SER A 6 5.905 -6.235 8.066 1.00 0.00 O ATOM 0 H SER A 6 7.013 -5.612 4.963 1.00 0.00 H new ATOM 0 HA SER A 6 8.167 -7.349 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.215 -6.989 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.811 -8.186 7.410 1.00 0.00 H new ATOM 0 HG SER A 6 5.017 -6.286 8.478 1.00 0.00 H new ATOM 99 N ALA A 7 8.251 -9.295 5.476 1.00 0.00 N ATOM 100 CA ALA A 7 8.265 -10.549 4.705 1.00 0.00 C ATOM 101 C ALA A 7 7.172 -11.522 5.191 1.00 0.00 C ATOM 102 O ALA A 7 6.653 -12.327 4.419 1.00 0.00 O ATOM 103 CB ALA A 7 9.661 -11.168 4.841 1.00 0.00 C ATOM 0 H ALA A 7 8.958 -9.270 6.211 1.00 0.00 H new ATOM 0 HA ALA A 7 8.048 -10.342 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.702 -12.101 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.406 -10.475 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.869 -11.368 5.892 1.00 0.00 H new ATOM 109 N GLU A 8 6.783 -11.408 6.467 1.00 0.00 N ATOM 110 CA GLU A 8 5.714 -12.153 7.142 1.00 0.00 C ATOM 111 C GLU A 8 4.302 -11.653 6.765 1.00 0.00 C ATOM 112 O GLU A 8 3.389 -11.604 7.596 1.00 0.00 O ATOM 113 CB GLU A 8 5.979 -12.169 8.664 1.00 0.00 C ATOM 114 CG GLU A 8 6.060 -10.790 9.348 1.00 0.00 C ATOM 115 CD GLU A 8 7.488 -10.225 9.384 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.962 -9.718 8.341 1.00 0.00 O ATOM 117 OE2 GLU A 8 8.146 -10.292 10.445 1.00 0.00 O ATOM 0 H GLU A 8 7.238 -10.748 7.098 1.00 0.00 H new ATOM 0 HA GLU A 8 5.732 -13.184 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.189 -12.746 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.915 -12.698 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.411 -10.090 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.681 -10.872 10.367 1.00 0.00 H new ATOM 122 N ALA A 9 4.110 -11.274 5.497 1.00 0.00 N ATOM 123 CA ALA A 9 2.816 -10.894 4.940 1.00 0.00 C ATOM 124 C ALA A 9 1.838 -12.092 4.882 1.00 0.00 C ATOM 125 O ALA A 9 2.281 -13.247 4.820 1.00 0.00 O ATOM 126 CB ALA A 9 3.037 -10.292 3.542 1.00 0.00 C ATOM 0 H ALA A 9 4.869 -11.223 4.818 1.00 0.00 H new ATOM 0 HA ALA A 9 2.356 -10.151 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.077 -10.004 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.678 -9.414 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.513 -11.032 2.899 1.00 0.00 H new ATOM 132 N PRO A 10 0.517 -11.828 4.874 1.00 0.00 N ATOM 133 CA PRO A 10 -0.516 -12.854 4.785 1.00 0.00 C ATOM 134 C PRO A 10 -0.530 -13.566 3.429 1.00 0.00 C ATOM 135 O PRO A 10 -0.051 -13.040 2.423 1.00 0.00 O ATOM 136 CB PRO A 10 -1.840 -12.113 5.012 1.00 0.00 C ATOM 137 CG PRO A 10 -1.536 -10.716 4.485 1.00 0.00 C ATOM 138 CD PRO A 10 -0.108 -10.518 4.965 1.00 0.00 C ATOM 0 HA PRO A 10 -0.338 -13.639 5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.663 -12.580 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.120 -12.097 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.616 -10.660 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.214 -9.967 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.416 -9.789 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.086 -10.143 5.988 1.00 0.00 H new ATOM 143 N ALA A 11 -1.146 -14.747 3.401 1.00 0.00 N ATOM 144 CA ALA A 11 -1.547 -15.416 2.161 1.00 0.00 C ATOM 145 C ALA A 11 -2.748 -14.702 1.515 1.00 0.00 C ATOM 146 O ALA A 11 -3.511 -14.026 2.211 1.00 0.00 O ATOM 147 CB ALA A 11 -1.880 -16.881 2.469 1.00 0.00 C ATOM 0 H ALA A 11 -1.383 -15.271 4.243 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.724 -15.377 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.180 -17.387 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.001 -17.374 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.696 -16.925 3.190 1.00 0.00 H new ATOM 153 N ARG A 12 -2.978 -14.896 0.208 1.00 0.00 N ATOM 154 CA ARG A 12 -4.127 -14.266 -0.481 1.00 0.00 C ATOM 155 C ARG A 12 -5.474 -14.667 0.141 1.00 0.00 C ATOM 156 O ARG A 12 -6.360 -13.828 0.285 1.00 0.00 O ATOM 157 CB ARG A 12 -4.095 -14.565 -1.994 1.00 0.00 C ATOM 158 CG ARG A 12 -4.086 -13.279 -2.837 1.00 0.00 C ATOM 159 CD ARG A 12 -5.352 -12.414 -2.692 1.00 0.00 C ATOM 160 NE ARG A 12 -5.178 -11.103 -3.347 1.00 0.00 N ATOM 161 CZ ARG A 12 -5.160 -10.866 -4.654 1.00 0.00 C ATOM 162 NH1 ARG A 12 -5.396 -11.800 -5.550 1.00 0.00 N ATOM 163 NH2 ARG A 12 -4.878 -9.662 -5.096 1.00 0.00 N ATOM 0 H ARG A 12 -2.393 -15.477 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.030 -13.189 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.210 -15.157 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.962 -15.168 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.218 -12.682 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.963 -13.548 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.203 -12.933 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.578 -12.269 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.059 -10.297 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.604 -12.753 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.371 -11.571 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.673 -8.911 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.863 -9.477 -6.099 1.00 0.00 H new ATOM 174 N ASP A 13 -5.604 -15.921 0.588 1.00 0.00 N ATOM 175 CA ASP A 13 -6.770 -16.440 1.316 1.00 0.00 C ATOM 176 C ASP A 13 -6.957 -15.858 2.725 1.00 0.00 C ATOM 177 O ASP A 13 -8.077 -15.872 3.240 1.00 0.00 O ATOM 178 CB ASP A 13 -6.670 -17.964 1.423 1.00 0.00 C ATOM 179 CG ASP A 13 -5.353 -18.471 2.025 1.00 0.00 C ATOM 180 OD1 ASP A 13 -4.387 -18.634 1.242 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.302 -18.716 3.253 1.00 0.00 O ATOM 0 H ASP A 13 -4.879 -16.625 0.449 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.639 -16.130 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.498 -18.329 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.791 -18.395 0.429 1.00 0.00 H new ATOM 185 N GLU A 14 -5.887 -15.345 3.332 1.00 0.00 N ATOM 186 CA GLU A 14 -5.908 -14.715 4.651 1.00 0.00 C ATOM 187 C GLU A 14 -6.125 -13.189 4.530 1.00 0.00 C ATOM 188 O GLU A 14 -6.732 -12.569 5.406 1.00 0.00 O ATOM 189 CB GLU A 14 -4.595 -15.071 5.364 1.00 0.00 C ATOM 190 CG GLU A 14 -4.508 -14.552 6.806 1.00 0.00 C ATOM 191 CD GLU A 14 -3.319 -15.179 7.545 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.172 -15.088 7.048 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.519 -15.770 8.630 1.00 0.00 O ATOM 0 H GLU A 14 -4.959 -15.357 2.909 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.744 -15.087 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.479 -16.155 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.761 -14.665 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.406 -13.467 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.432 -14.782 7.336 1.00 0.00 H new ATOM 198 N LEU A 15 -5.686 -12.588 3.423 1.00 0.00 N ATOM 199 CA LEU A 15 -5.915 -11.190 3.047 1.00 0.00 C ATOM 200 C LEU A 15 -7.329 -10.959 2.470 1.00 0.00 C ATOM 201 O LEU A 15 -7.894 -9.891 2.677 1.00 0.00 O ATOM 202 CB LEU A 15 -4.778 -10.826 2.069 1.00 0.00 C ATOM 203 CG LEU A 15 -4.803 -9.373 1.567 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.382 -8.797 1.518 1.00 0.00 C ATOM 205 CD2 LEU A 15 -5.423 -9.287 0.167 1.00 0.00 C ATOM 0 H LEU A 15 -5.132 -13.088 2.728 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.889 -10.532 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.822 -11.010 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.829 -11.494 1.209 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.410 -8.794 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.419 -7.768 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.946 -8.819 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.770 -9.394 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.429 -8.249 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.836 -9.887 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.445 -9.664 0.198 1.00 0.00 H new ATOM 216 N ASP A 16 -7.953 -11.971 1.856 1.00 0.00 N ATOM 217 CA ASP A 16 -9.357 -11.957 1.419 1.00 0.00 C ATOM 218 C ASP A 16 -10.345 -11.745 2.588 1.00 0.00 C ATOM 219 O ASP A 16 -11.482 -11.307 2.385 1.00 0.00 O ATOM 220 CB ASP A 16 -9.646 -13.282 0.695 1.00 0.00 C ATOM 221 CG ASP A 16 -11.077 -13.367 0.124 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.367 -12.680 -0.882 1.00 0.00 O ATOM 223 OD2 ASP A 16 -11.888 -14.150 0.668 1.00 0.00 O ATOM 0 H ASP A 16 -7.482 -12.850 1.642 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.504 -11.111 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.930 -13.408 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.489 -14.108 1.388 1.00 0.00 H new ATOM 227 N ARG A 17 -9.888 -12.002 3.824 1.00 0.00 N ATOM 228 CA ARG A 17 -10.634 -11.801 5.076 1.00 0.00 C ATOM 229 C ARG A 17 -10.720 -10.329 5.506 1.00 0.00 C ATOM 230 O ARG A 17 -11.443 -10.014 6.456 1.00 0.00 O ATOM 231 CB ARG A 17 -9.977 -12.603 6.206 1.00 0.00 C ATOM 232 CG ARG A 17 -9.705 -14.079 5.872 1.00 0.00 C ATOM 233 CD ARG A 17 -10.938 -14.899 5.469 1.00 0.00 C ATOM 234 NE ARG A 17 -10.517 -16.128 4.783 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.226 -17.230 4.583 1.00 0.00 C ATOM 236 NH1 ARG A 17 -12.453 -17.380 5.041 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.699 -18.212 3.894 1.00 0.00 N ATOM 0 H ARG A 17 -8.951 -12.370 3.985 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.650 -12.146 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.034 -12.125 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.618 -12.556 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.979 -14.123 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.243 -14.551 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.525 -15.148 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.581 -14.309 4.816 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.565 -16.134 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.894 -16.630 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.962 -18.246 4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.755 -18.123 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.233 -19.066 3.732 1.00 0.00 H new ATOM 248 N LEU A 18 -9.981 -9.430 4.838 1.00 0.00 N ATOM 249 CA LEU A 18 -10.010 -7.985 5.113 1.00 0.00 C ATOM 250 C LEU A 18 -11.431 -7.379 5.037 1.00 0.00 C ATOM 251 O LEU A 18 -12.331 -7.936 4.400 1.00 0.00 O ATOM 252 CB LEU A 18 -9.058 -7.240 4.152 1.00 0.00 C ATOM 253 CG LEU A 18 -7.579 -7.198 4.580 1.00 0.00 C ATOM 254 CD1 LEU A 18 -6.770 -6.514 3.467 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.394 -6.408 5.886 1.00 0.00 C ATOM 0 H LEU A 18 -9.342 -9.687 4.086 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.672 -7.856 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.120 -7.710 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.414 -6.216 4.038 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.236 -8.219 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.719 -6.475 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.874 -7.080 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.143 -5.501 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.339 -6.398 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.742 -5.385 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.970 -6.880 6.682 1.00 0.00 H new ATOM 266 N ALA A 19 -11.615 -6.217 5.675 1.00 0.00 N ATOM 267 CA ALA A 19 -12.908 -5.534 5.787 1.00 0.00 C ATOM 268 C ALA A 19 -12.801 -4.003 5.835 1.00 0.00 C ATOM 269 O ALA A 19 -13.491 -3.317 5.076 1.00 0.00 O ATOM 270 CB ALA A 19 -13.645 -6.084 7.014 1.00 0.00 C ATOM 0 H ALA A 19 -10.855 -5.717 6.136 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.474 -5.742 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.610 -5.586 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.800 -7.156 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.050 -5.901 7.908 1.00 0.00 H new ATOM 276 N GLY A 20 -11.926 -3.456 6.683 1.00 0.00 N ATOM 277 CA GLY A 20 -11.701 -2.012 6.779 1.00 0.00 C ATOM 278 C GLY A 20 -10.824 -1.466 5.638 1.00 0.00 C ATOM 279 O GLY A 20 -10.229 -2.259 4.903 1.00 0.00 O ATOM 0 H GLY A 20 -11.352 -4.004 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.662 -1.498 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.228 -1.786 7.735 1.00 0.00 H new ATOM 283 N PRO A 21 -10.725 -0.129 5.479 1.00 0.00 N ATOM 284 CA PRO A 21 -9.883 0.491 4.463 1.00 0.00 C ATOM 285 C PRO A 21 -8.412 0.174 4.766 1.00 0.00 C ATOM 286 O PRO A 21 -7.868 0.608 5.781 1.00 0.00 O ATOM 287 CB PRO A 21 -10.199 1.988 4.503 1.00 0.00 C ATOM 288 CG PRO A 21 -10.712 2.219 5.922 1.00 0.00 C ATOM 289 CD PRO A 21 -11.395 0.893 6.276 1.00 0.00 C ATOM 0 HA PRO A 21 -10.073 0.113 3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.313 2.589 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.948 2.258 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.899 2.448 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.411 3.054 5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.304 0.679 7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.460 0.930 6.048 1.00 0.00 H new ATOM 294 N THR A 22 -7.791 -0.624 3.887 1.00 0.00 N ATOM 295 CA THR A 22 -6.428 -1.134 4.058 1.00 0.00 C ATOM 296 C THR A 22 -5.653 -0.953 2.767 1.00 0.00 C ATOM 297 O THR A 22 -6.045 -1.459 1.715 1.00 0.00 O ATOM 298 CB THR A 22 -6.437 -2.614 4.451 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.191 -2.769 5.631 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.031 -3.161 4.725 1.00 0.00 C ATOM 0 H THR A 22 -8.232 -0.938 3.022 1.00 0.00 H new ATOM 0 HA THR A 22 -5.949 -0.572 4.860 1.00 0.00 H new ATOM 0 HB THR A 22 -6.864 -3.165 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.139 -2.615 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.097 -4.214 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.419 -3.057 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.576 -2.601 5.542 1.00 0.00 H new ATOM 308 N LEU A 23 -4.512 -0.277 2.841 1.00 0.00 N ATOM 309 CA LEU A 23 -3.591 -0.112 1.725 1.00 0.00 C ATOM 310 C LEU A 23 -2.532 -1.224 1.746 1.00 0.00 C ATOM 311 O LEU A 23 -1.872 -1.419 2.767 1.00 0.00 O ATOM 312 CB LEU A 23 -2.971 1.291 1.837 1.00 0.00 C ATOM 313 CG LEU A 23 -2.080 1.689 0.647 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.819 1.477 -0.666 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.614 3.122 0.783 1.00 0.00 C ATOM 0 H LEU A 23 -4.196 0.180 3.696 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.107 -0.196 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.773 2.023 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.379 1.342 2.751 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.198 1.049 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.174 1.763 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.092 0.426 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.721 2.089 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.986 3.383 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.479 3.785 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.041 3.233 1.704 1.00 0.00 H new ATOM 326 N VAL A 24 -2.352 -1.925 0.625 1.00 0.00 N ATOM 327 CA VAL A 24 -1.337 -2.979 0.460 1.00 0.00 C ATOM 328 C VAL A 24 -0.224 -2.477 -0.457 1.00 0.00 C ATOM 329 O VAL A 24 -0.469 -2.208 -1.629 1.00 0.00 O ATOM 330 CB VAL A 24 -1.949 -4.289 -0.095 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.914 -5.426 -0.070 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.188 -4.721 0.715 1.00 0.00 C ATOM 0 H VAL A 24 -2.916 -1.777 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.925 -3.209 1.442 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.251 -4.091 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.365 -6.337 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.056 -5.151 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.587 -5.597 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.592 -5.644 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.904 -4.886 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.946 -3.939 0.666 1.00 0.00 H new ATOM 342 N GLU A 25 0.973 -2.316 0.103 1.00 0.00 N ATOM 343 CA GLU A 25 2.157 -1.667 -0.473 1.00 0.00 C ATOM 344 C GLU A 25 3.242 -2.704 -0.802 1.00 0.00 C ATOM 345 O GLU A 25 3.587 -3.532 0.040 1.00 0.00 O ATOM 346 CB GLU A 25 2.647 -0.646 0.572 1.00 0.00 C ATOM 347 CG GLU A 25 4.079 -0.122 0.472 1.00 0.00 C ATOM 348 CD GLU A 25 4.274 0.888 -0.664 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.456 0.449 -1.818 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.283 2.111 -0.388 1.00 0.00 O ATOM 0 H GLU A 25 1.158 -2.662 1.045 1.00 0.00 H new ATOM 0 HA GLU A 25 1.918 -1.168 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.977 0.213 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.529 -1.098 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.355 0.346 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.757 -0.962 0.323 1.00 0.00 H new ATOM 355 N PHE A 26 3.794 -2.646 -2.014 1.00 0.00 N ATOM 356 CA PHE A 26 4.815 -3.572 -2.535 1.00 0.00 C ATOM 357 C PHE A 26 6.166 -2.866 -2.738 1.00 0.00 C ATOM 358 O PHE A 26 6.238 -1.802 -3.353 1.00 0.00 O ATOM 359 CB PHE A 26 4.304 -4.186 -3.849 1.00 0.00 C ATOM 360 CG PHE A 26 3.008 -4.952 -3.671 1.00 0.00 C ATOM 361 CD1 PHE A 26 3.034 -6.247 -3.114 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.768 -4.347 -3.972 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.831 -6.923 -2.842 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.568 -5.026 -3.706 1.00 0.00 C ATOM 365 CZ PHE A 26 0.605 -6.302 -3.126 1.00 0.00 C ATOM 0 H PHE A 26 3.536 -1.927 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 26 4.984 -4.365 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.155 -3.393 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.064 -4.855 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.980 -6.721 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.743 -3.359 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.851 -7.915 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.380 -4.567 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.319 -6.812 -2.896 1.00 0.00 H new ATOM 374 N GLY A 27 7.245 -3.466 -2.222 1.00 0.00 N ATOM 375 CA GLY A 27 8.595 -2.895 -2.228 1.00 0.00 C ATOM 376 C GLY A 27 9.521 -3.548 -1.197 1.00 0.00 C ATOM 377 O GLY A 27 9.363 -4.734 -0.909 1.00 0.00 O ATOM 0 H GLY A 27 7.202 -4.384 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.028 -3.009 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.533 -1.825 -2.028 1.00 0.00 H new ATOM 381 N THR A 28 10.473 -2.792 -0.646 1.00 0.00 N ATOM 382 CA THR A 28 11.386 -3.188 0.454 1.00 0.00 C ATOM 383 C THR A 28 11.690 -1.967 1.318 1.00 0.00 C ATOM 384 O THR A 28 11.349 -0.843 0.963 1.00 0.00 O ATOM 385 CB THR A 28 12.694 -3.808 -0.062 1.00 0.00 C ATOM 386 OG1 THR A 28 13.399 -2.850 -0.819 1.00 0.00 O ATOM 387 CG2 THR A 28 12.464 -5.064 -0.905 1.00 0.00 C ATOM 0 H THR A 28 10.645 -1.838 -0.963 1.00 0.00 H new ATOM 0 HA THR A 28 10.884 -3.954 1.045 1.00 0.00 H new ATOM 0 HB THR A 28 13.275 -4.111 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.361 -3.024 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.423 -5.457 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.954 -5.817 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.851 -4.814 -1.771 1.00 0.00 H new ATOM 395 N ASP A 29 12.355 -2.158 2.456 1.00 0.00 N ATOM 396 CA ASP A 29 12.736 -1.036 3.323 1.00 0.00 C ATOM 397 C ASP A 29 14.006 -0.306 2.831 1.00 0.00 C ATOM 398 O ASP A 29 14.425 0.673 3.454 1.00 0.00 O ATOM 399 CB ASP A 29 12.826 -1.499 4.783 1.00 0.00 C ATOM 400 CG ASP A 29 14.105 -2.285 5.119 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.179 -3.478 4.748 1.00 0.00 O ATOM 402 OD2 ASP A 29 15.004 -1.725 5.794 1.00 0.00 O ATOM 0 H ASP A 29 12.642 -3.074 2.801 1.00 0.00 H new ATOM 0 HA ASP A 29 11.949 -0.284 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.768 -0.626 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.961 -2.122 5.009 1.00 0.00 H new ATOM 406 N TRP A 30 14.606 -0.775 1.727 1.00 0.00 N ATOM 407 CA TRP A 30 15.940 -0.401 1.266 1.00 0.00 C ATOM 408 C TRP A 30 16.059 0.048 -0.208 1.00 0.00 C ATOM 409 O TRP A 30 17.053 0.704 -0.534 1.00 0.00 O ATOM 410 CB TRP A 30 16.890 -1.574 1.561 1.00 0.00 C ATOM 411 CG TRP A 30 16.509 -2.931 1.053 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.989 -3.929 1.800 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.660 -3.479 -0.291 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.806 -5.050 1.020 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.186 -4.824 -0.284 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.156 -2.978 -1.515 1.00 0.00 C ATOM 417 CZ2 TRP A 30 16.171 -5.623 -1.436 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.152 -3.778 -2.674 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.656 -5.093 -2.636 1.00 0.00 C ATOM 0 H TRP A 30 14.153 -1.451 1.111 1.00 0.00 H new ATOM 0 HA TRP A 30 16.211 0.499 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.867 -1.325 1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.010 -1.643 2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.752 -3.859 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.436 -5.936 1.365 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.542 -1.971 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.790 -6.633 -1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.534 -3.377 -3.601 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.650 -5.694 -3.533 1.00 0.00 H new ATOM 429 N CYS A 31 15.092 -0.229 -1.099 1.00 0.00 N ATOM 430 CA CYS A 31 15.142 0.261 -2.488 1.00 0.00 C ATOM 431 C CYS A 31 15.047 1.792 -2.553 1.00 0.00 C ATOM 432 O CYS A 31 14.283 2.406 -1.798 1.00 0.00 O ATOM 433 CB CYS A 31 14.032 -0.379 -3.338 1.00 0.00 C ATOM 434 SG CYS A 31 14.156 0.207 -5.066 1.00 0.00 S ATOM 0 H CYS A 31 14.267 -0.789 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 31 16.108 -0.033 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.118 -1.465 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.055 -0.124 -2.928 1.00 0.00 H new ATOM 0 HG CYS A 31 13.113 -0.189 -5.734 1.00 0.00 H new ATOM 439 N GLY A 32 15.770 2.416 -3.492 1.00 0.00 N ATOM 440 CA GLY A 32 15.717 3.859 -3.763 1.00 0.00 C ATOM 441 C GLY A 32 14.372 4.344 -4.309 1.00 0.00 C ATOM 442 O GLY A 32 14.057 5.522 -4.142 1.00 0.00 O ATOM 0 H GLY A 32 16.423 1.920 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.939 4.399 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.500 4.112 -4.478 1.00 0.00 H new ATOM 446 N HIS A 33 13.538 3.467 -4.882 1.00 0.00 N ATOM 447 CA HIS A 33 12.125 3.783 -5.121 1.00 0.00 C ATOM 448 C HIS A 33 11.385 3.971 -3.790 1.00 0.00 C ATOM 449 O HIS A 33 10.718 4.981 -3.557 1.00 0.00 O ATOM 450 CB HIS A 33 11.436 2.645 -5.886 1.00 0.00 C ATOM 451 CG HIS A 33 11.781 2.448 -7.338 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.931 1.229 -7.963 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.699 3.390 -8.326 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.918 1.431 -9.289 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.796 2.744 -9.568 1.00 0.00 N ATOM 0 H HIS A 33 13.817 2.535 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 33 12.090 4.702 -5.707 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.654 1.714 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.360 2.804 -5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.580 4.453 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.995 0.650 -10.031 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.778 3.178 -10.491 1.00 0.00 H new ATOM 463 N CYS A 34 11.539 3.000 -2.893 1.00 0.00 N ATOM 464 CA CYS A 34 10.919 2.990 -1.575 1.00 0.00 C ATOM 465 C CYS A 34 11.364 4.154 -0.704 1.00 0.00 C ATOM 466 O CYS A 34 10.522 4.729 -0.024 1.00 0.00 O ATOM 467 CB CYS A 34 11.232 1.649 -0.923 1.00 0.00 C ATOM 468 SG CYS A 34 10.085 0.433 -1.629 1.00 0.00 S ATOM 0 H CYS A 34 12.115 2.177 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 34 9.842 3.116 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.266 1.360 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.112 1.709 0.159 1.00 0.00 H new ATOM 0 HG CYS A 34 10.711 -0.299 -2.502 1.00 0.00 H new ATOM 473 N GLN A 35 12.628 4.576 -0.762 1.00 0.00 N ATOM 474 CA GLN A 35 13.104 5.657 0.113 1.00 0.00 C ATOM 475 C GLN A 35 12.412 6.997 -0.198 1.00 0.00 C ATOM 476 O GLN A 35 12.325 7.875 0.659 1.00 0.00 O ATOM 477 CB GLN A 35 14.620 5.874 -0.013 1.00 0.00 C ATOM 478 CG GLN A 35 15.491 4.642 0.247 1.00 0.00 C ATOM 479 CD GLN A 35 15.108 3.823 1.473 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.290 4.223 2.616 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.572 2.646 1.267 1.00 0.00 N ATOM 0 H GLN A 35 13.333 4.196 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 35 12.858 5.339 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.834 6.242 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.915 6.659 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.449 3.996 -0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.526 4.965 0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.421 2.314 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.306 2.061 2.059 1.00 0.00 H new ATOM 488 N ALA A 36 11.909 7.139 -1.427 1.00 0.00 N ATOM 489 CA ALA A 36 11.128 8.283 -1.899 1.00 0.00 C ATOM 490 C ALA A 36 9.623 8.132 -1.605 1.00 0.00 C ATOM 491 O ALA A 36 8.976 9.101 -1.201 1.00 0.00 O ATOM 492 CB ALA A 36 11.409 8.444 -3.395 1.00 0.00 C ATOM 0 H ALA A 36 12.041 6.431 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 36 11.429 9.182 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.842 9.290 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.474 8.620 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.112 7.537 -3.921 1.00 0.00 H new ATOM 498 N ALA A 37 9.059 6.927 -1.765 1.00 0.00 N ATOM 499 CA ALA A 37 7.632 6.665 -1.554 1.00 0.00 C ATOM 500 C ALA A 37 7.255 6.453 -0.075 1.00 0.00 C ATOM 501 O ALA A 37 6.155 6.819 0.328 1.00 0.00 O ATOM 502 CB ALA A 37 7.214 5.465 -2.410 1.00 0.00 C ATOM 0 H ALA A 37 9.586 6.101 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 37 7.085 7.556 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.154 5.263 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.395 5.687 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.795 4.590 -2.119 1.00 0.00 H new ATOM 508 N GLN A 38 8.150 5.910 0.746 1.00 0.00 N ATOM 509 CA GLN A 38 7.925 5.672 2.177 1.00 0.00 C ATOM 510 C GLN A 38 7.539 6.943 2.955 1.00 0.00 C ATOM 511 O GLN A 38 6.475 6.923 3.581 1.00 0.00 O ATOM 512 CB GLN A 38 9.168 5.006 2.788 1.00 0.00 C ATOM 513 CG GLN A 38 9.198 3.485 2.552 1.00 0.00 C ATOM 514 CD GLN A 38 10.504 2.852 3.059 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.607 3.276 2.737 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.451 1.838 3.897 1.00 0.00 N ATOM 0 H GLN A 38 9.074 5.615 0.432 1.00 0.00 H new ATOM 0 HA GLN A 38 7.068 5.004 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.064 5.455 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.193 5.205 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.350 3.022 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.085 3.280 1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.548 1.461 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.313 1.429 4.258 1.00 0.00 H new ATOM 523 N PRO A 39 8.317 8.048 2.916 1.00 0.00 N ATOM 524 CA PRO A 39 7.920 9.303 3.555 1.00 0.00 C ATOM 525 C PRO A 39 6.704 9.941 2.869 1.00 0.00 C ATOM 526 O PRO A 39 5.993 10.712 3.509 1.00 0.00 O ATOM 527 CB PRO A 39 9.153 10.214 3.489 1.00 0.00 C ATOM 528 CG PRO A 39 9.883 9.724 2.245 1.00 0.00 C ATOM 529 CD PRO A 39 9.615 8.219 2.278 1.00 0.00 C ATOM 0 HA PRO A 39 7.606 9.134 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.873 11.264 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.771 10.120 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.494 10.186 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.949 9.948 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.611 7.803 1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.394 7.698 2.835 1.00 0.00 H new ATOM 534 N LEU A 40 6.424 9.597 1.607 1.00 0.00 N ATOM 535 CA LEU A 40 5.252 10.071 0.864 1.00 0.00 C ATOM 536 C LEU A 40 3.983 9.523 1.526 1.00 0.00 C ATOM 537 O LEU A 40 3.131 10.288 1.980 1.00 0.00 O ATOM 538 CB LEU A 40 5.369 9.607 -0.608 1.00 0.00 C ATOM 539 CG LEU A 40 4.937 10.588 -1.702 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.661 11.352 -1.340 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.066 11.558 -2.053 1.00 0.00 C ATOM 0 H LEU A 40 7.017 8.970 1.064 1.00 0.00 H new ATOM 0 HA LEU A 40 5.200 11.160 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.409 9.336 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.778 8.698 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 40 4.709 9.987 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.402 12.032 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.846 10.646 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.826 11.923 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.729 12.242 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.345 12.127 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.929 10.997 -2.411 1.00 0.00 H new ATOM 552 N LEU A 41 3.905 8.193 1.642 1.00 0.00 N ATOM 553 CA LEU A 41 2.801 7.498 2.287 1.00 0.00 C ATOM 554 C LEU A 41 2.700 7.958 3.733 1.00 0.00 C ATOM 555 O LEU A 41 1.611 8.317 4.156 1.00 0.00 O ATOM 556 CB LEU A 41 2.980 5.965 2.211 1.00 0.00 C ATOM 557 CG LEU A 41 2.456 5.247 0.948 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.007 5.571 0.617 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.384 5.474 -0.248 1.00 0.00 C ATOM 0 H LEU A 41 4.623 7.564 1.282 1.00 0.00 H new ATOM 0 HA LEU A 41 1.877 7.741 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.043 5.746 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.486 5.525 3.077 1.00 0.00 H new ATOM 0 HG LEU A 41 2.465 4.182 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.710 5.031 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.368 5.272 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.903 6.643 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.987 4.955 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.451 6.541 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.377 5.087 -0.017 1.00 0.00 H new ATOM 570 N ALA A 42 3.811 8.011 4.468 1.00 0.00 N ATOM 571 CA ALA A 42 3.840 8.431 5.870 1.00 0.00 C ATOM 572 C ALA A 42 3.265 9.843 6.094 1.00 0.00 C ATOM 573 O ALA A 42 2.581 10.077 7.089 1.00 0.00 O ATOM 574 CB ALA A 42 5.278 8.324 6.380 1.00 0.00 C ATOM 0 H ALA A 42 4.729 7.760 4.101 1.00 0.00 H new ATOM 0 HA ALA A 42 3.190 7.766 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.318 8.634 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.619 7.292 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.924 8.970 5.785 1.00 0.00 H new ATOM 580 N GLU A 43 3.504 10.767 5.160 1.00 0.00 N ATOM 581 CA GLU A 43 2.923 12.111 5.200 1.00 0.00 C ATOM 582 C GLU A 43 1.424 12.086 4.887 1.00 0.00 C ATOM 583 O GLU A 43 0.644 12.708 5.604 1.00 0.00 O ATOM 584 CB GLU A 43 3.649 13.041 4.218 1.00 0.00 C ATOM 585 CG GLU A 43 5.023 13.477 4.746 1.00 0.00 C ATOM 586 CD GLU A 43 4.909 14.620 5.767 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.781 15.797 5.349 1.00 0.00 O ATOM 588 OE2 GLU A 43 4.951 14.357 6.987 1.00 0.00 O ATOM 0 H GLU A 43 4.107 10.604 4.354 1.00 0.00 H new ATOM 0 HA GLU A 43 3.050 12.492 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.773 12.533 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.035 13.923 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.521 12.625 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.648 13.796 3.912 1.00 0.00 H new ATOM 593 N VAL A 44 0.993 11.339 3.865 1.00 0.00 N ATOM 594 CA VAL A 44 -0.432 11.225 3.502 1.00 0.00 C ATOM 595 C VAL A 44 -1.231 10.580 4.637 1.00 0.00 C ATOM 596 O VAL A 44 -2.195 11.172 5.119 1.00 0.00 O ATOM 597 CB VAL A 44 -0.620 10.437 2.192 1.00 0.00 C ATOM 598 CG1 VAL A 44 -2.092 10.281 1.821 1.00 0.00 C ATOM 599 CG2 VAL A 44 0.207 11.007 1.048 1.00 0.00 C ATOM 0 H VAL A 44 1.615 10.797 3.266 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.812 12.234 3.340 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.237 9.433 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.175 9.719 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.613 9.747 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.541 11.266 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.039 10.416 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.089 12.040 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.264 10.974 1.312 1.00 0.00 H new ATOM 609 N PHE A 45 -0.777 9.421 5.120 1.00 0.00 N ATOM 610 CA PHE A 45 -1.321 8.698 6.271 1.00 0.00 C ATOM 611 C PHE A 45 -1.358 9.544 7.552 1.00 0.00 C ATOM 612 O PHE A 45 -2.076 9.184 8.487 1.00 0.00 O ATOM 613 CB PHE A 45 -0.491 7.426 6.534 1.00 0.00 C ATOM 614 CG PHE A 45 -0.976 6.147 5.870 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.129 5.509 6.376 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.248 5.535 4.827 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.538 4.280 5.838 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.656 4.296 4.316 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.823 3.684 4.795 1.00 0.00 C ATOM 0 H PHE A 45 0.017 8.939 4.699 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.350 8.443 6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.532 7.613 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.456 7.259 7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.694 5.966 7.175 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.626 6.023 4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.415 3.789 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.069 3.810 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.168 2.757 4.361 1.00 0.00 H new ATOM 628 N SER A 46 -0.643 10.672 7.608 1.00 0.00 N ATOM 629 CA SER A 46 -0.712 11.575 8.765 1.00 0.00 C ATOM 630 C SER A 46 -2.101 12.232 8.917 1.00 0.00 C ATOM 631 O SER A 46 -2.510 12.570 10.030 1.00 0.00 O ATOM 632 CB SER A 46 0.397 12.633 8.667 1.00 0.00 C ATOM 633 OG SER A 46 0.696 13.189 9.940 1.00 0.00 O ATOM 0 H SER A 46 -0.012 10.982 6.869 1.00 0.00 H new ATOM 0 HA SER A 46 -0.556 10.978 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.295 12.183 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.087 13.425 7.986 1.00 0.00 H new ATOM 0 HG SER A 46 1.406 13.858 9.846 1.00 0.00 H new ATOM 638 N ASP A 47 -2.872 12.356 7.823 1.00 0.00 N ATOM 639 CA ASP A 47 -4.260 12.853 7.828 1.00 0.00 C ATOM 640 C ASP A 47 -5.317 11.726 7.775 1.00 0.00 C ATOM 641 O ASP A 47 -6.505 11.976 8.005 1.00 0.00 O ATOM 642 CB ASP A 47 -4.435 13.822 6.649 1.00 0.00 C ATOM 643 CG ASP A 47 -5.704 14.692 6.775 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.916 15.312 7.847 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.454 14.812 5.776 1.00 0.00 O ATOM 0 H ASP A 47 -2.541 12.108 6.890 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.429 13.365 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.561 14.470 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.480 13.253 5.720 1.00 0.00 H new ATOM 649 N TYR A 48 -4.893 10.481 7.512 1.00 0.00 N ATOM 650 CA TYR A 48 -5.760 9.295 7.406 1.00 0.00 C ATOM 651 C TYR A 48 -5.328 8.108 8.308 1.00 0.00 C ATOM 652 O TYR A 48 -5.303 6.963 7.834 1.00 0.00 O ATOM 653 CB TYR A 48 -5.857 8.880 5.923 1.00 0.00 C ATOM 654 CG TYR A 48 -6.135 10.026 4.963 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.414 10.610 4.891 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.088 10.537 4.183 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.644 11.691 4.023 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.289 11.662 3.370 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.574 12.246 3.282 1.00 0.00 C ATOM 660 OH TYR A 48 -6.774 13.341 2.502 1.00 0.00 O ATOM 0 H TYR A 48 -3.908 10.264 7.362 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.744 9.575 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.924 8.398 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.646 8.136 5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.218 10.227 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.119 10.061 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.639 12.099 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.464 12.081 2.813 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.933 13.589 2.065 1.00 0.00 H new ATOM 669 N PRO A 49 -5.018 8.314 9.608 1.00 0.00 N ATOM 670 CA PRO A 49 -4.527 7.253 10.497 1.00 0.00 C ATOM 671 C PRO A 49 -5.536 6.112 10.719 1.00 0.00 C ATOM 672 O PRO A 49 -5.133 5.022 11.127 1.00 0.00 O ATOM 673 CB PRO A 49 -4.166 7.949 11.816 1.00 0.00 C ATOM 674 CG PRO A 49 -5.089 9.161 11.839 1.00 0.00 C ATOM 675 CD PRO A 49 -5.152 9.557 10.365 1.00 0.00 C ATOM 0 HA PRO A 49 -3.668 6.758 10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.336 7.298 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.117 8.242 11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.074 8.914 12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.689 9.964 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.094 10.055 10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.353 10.255 10.114 1.00 0.00 H new ATOM 680 N GLU A 50 -6.823 6.324 10.410 1.00 0.00 N ATOM 681 CA GLU A 50 -7.854 5.282 10.426 1.00 0.00 C ATOM 682 C GLU A 50 -7.705 4.231 9.308 1.00 0.00 C ATOM 683 O GLU A 50 -8.318 3.168 9.400 1.00 0.00 O ATOM 684 CB GLU A 50 -9.247 5.927 10.395 1.00 0.00 C ATOM 685 CG GLU A 50 -9.570 6.680 9.094 1.00 0.00 C ATOM 686 CD GLU A 50 -10.957 7.332 9.193 1.00 0.00 C ATOM 687 OE1 GLU A 50 -11.975 6.646 8.948 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.029 8.534 9.544 1.00 0.00 O ATOM 0 H GLU A 50 -7.180 7.240 10.138 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.722 4.730 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.997 5.151 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.332 6.620 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.813 7.442 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.543 5.991 8.250 1.00 0.00 H new ATOM 693 N VAL A 51 -6.910 4.501 8.261 1.00 0.00 N ATOM 694 CA VAL A 51 -6.568 3.539 7.193 1.00 0.00 C ATOM 695 C VAL A 51 -5.406 2.650 7.688 1.00 0.00 C ATOM 696 O VAL A 51 -4.496 3.136 8.357 1.00 0.00 O ATOM 697 CB VAL A 51 -6.217 4.266 5.863 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.900 3.310 4.695 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.362 5.183 5.402 1.00 0.00 C ATOM 0 H VAL A 51 -6.475 5.414 8.127 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.432 2.911 6.975 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.322 4.841 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.665 3.891 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.046 2.686 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.765 2.677 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.082 5.674 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.262 4.589 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.555 5.936 6.166 1.00 0.00 H new ATOM 709 N GLY A 52 -5.434 1.352 7.362 1.00 0.00 N ATOM 710 CA GLY A 52 -4.348 0.401 7.657 1.00 0.00 C ATOM 711 C GLY A 52 -3.302 0.344 6.537 1.00 0.00 C ATOM 712 O GLY A 52 -3.615 0.633 5.383 1.00 0.00 O ATOM 0 H GLY A 52 -6.223 0.923 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.862 0.686 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.770 -0.593 7.808 1.00 0.00 H new ATOM 716 N HIS A 53 -2.071 -0.066 6.840 1.00 0.00 N ATOM 717 CA HIS A 53 -0.989 -0.162 5.848 1.00 0.00 C ATOM 718 C HIS A 53 -0.196 -1.481 5.976 1.00 0.00 C ATOM 719 O HIS A 53 0.451 -1.724 7.003 1.00 0.00 O ATOM 720 CB HIS A 53 -0.037 1.038 6.015 1.00 0.00 C ATOM 721 CG HIS A 53 0.811 1.361 4.803 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.951 2.132 4.810 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.560 1.038 3.490 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.391 2.243 3.543 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.567 1.600 2.702 1.00 0.00 N ATOM 0 H HIS A 53 -1.790 -0.343 7.781 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.442 -0.151 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.628 1.918 6.270 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.624 0.842 6.859 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.387 2.547 5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.272 0.451 3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.282 2.775 3.245 1.00 0.00 H new ATOM 733 N LEU A 54 -0.212 -2.312 4.931 1.00 0.00 N ATOM 734 CA LEU A 54 0.524 -3.577 4.851 1.00 0.00 C ATOM 735 C LEU A 54 1.708 -3.420 3.883 1.00 0.00 C ATOM 736 O LEU A 54 1.543 -3.372 2.668 1.00 0.00 O ATOM 737 CB LEU A 54 -0.462 -4.681 4.425 1.00 0.00 C ATOM 738 CG LEU A 54 0.163 -6.056 4.110 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.967 -6.623 5.290 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.950 -7.032 3.722 1.00 0.00 C ATOM 0 H LEU A 54 -0.755 -2.117 4.090 1.00 0.00 H new ATOM 0 HA LEU A 54 0.946 -3.858 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.197 -4.811 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.003 -4.338 3.543 1.00 0.00 H new ATOM 0 HG LEU A 54 0.862 -5.923 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.385 -7.591 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.776 -5.937 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.312 -6.743 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.517 -8.007 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.653 -7.129 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.473 -6.656 2.843 1.00 0.00 H new ATOM 751 N LYS A 55 2.929 -3.360 4.423 1.00 0.00 N ATOM 752 CA LYS A 55 4.167 -3.248 3.635 1.00 0.00 C ATOM 753 C LYS A 55 4.714 -4.645 3.275 1.00 0.00 C ATOM 754 O LYS A 55 5.376 -5.288 4.090 1.00 0.00 O ATOM 755 CB LYS A 55 5.221 -2.451 4.424 1.00 0.00 C ATOM 756 CG LYS A 55 4.975 -0.945 4.591 1.00 0.00 C ATOM 757 CD LYS A 55 4.060 -0.548 5.761 1.00 0.00 C ATOM 758 CE LYS A 55 4.521 -1.088 7.123 1.00 0.00 C ATOM 759 NZ LYS A 55 3.624 -0.646 8.218 1.00 0.00 N ATOM 0 H LYS A 55 3.091 -3.388 5.430 1.00 0.00 H new ATOM 0 HA LYS A 55 3.942 -2.720 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.306 -2.892 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.185 -2.584 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.937 -0.450 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.542 -0.561 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.004 0.539 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.052 -0.910 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.549 -2.177 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.537 -0.748 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.413 -1.452 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.090 0.104 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.738 -0.279 7.815 1.00 0.00 H new ATOM 769 N VAL A 56 4.462 -5.112 2.057 1.00 0.00 N ATOM 770 CA VAL A 56 4.821 -6.448 1.545 1.00 0.00 C ATOM 771 C VAL A 56 6.216 -6.412 0.931 1.00 0.00 C ATOM 772 O VAL A 56 6.454 -5.711 -0.055 1.00 0.00 O ATOM 773 CB VAL A 56 3.810 -6.957 0.493 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.131 -8.392 0.051 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.364 -6.899 1.009 1.00 0.00 C ATOM 0 H VAL A 56 3.978 -4.548 1.358 1.00 0.00 H new ATOM 0 HA VAL A 56 4.801 -7.136 2.390 1.00 0.00 H new ATOM 0 HB VAL A 56 3.902 -6.290 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.400 -8.717 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.129 -8.423 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.093 -9.056 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.687 -7.266 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.270 -7.521 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.107 -5.869 1.257 1.00 0.00 H new ATOM 785 N GLU A 57 7.119 -7.177 1.537 1.00 0.00 N ATOM 786 CA GLU A 57 8.516 -7.238 1.148 1.00 0.00 C ATOM 787 C GLU A 57 8.749 -8.131 -0.082 1.00 0.00 C ATOM 788 O GLU A 57 8.270 -9.263 -0.162 1.00 0.00 O ATOM 789 CB GLU A 57 9.353 -7.692 2.348 1.00 0.00 C ATOM 790 CG GLU A 57 10.774 -7.154 2.239 1.00 0.00 C ATOM 791 CD GLU A 57 11.629 -7.599 3.433 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.413 -7.092 4.557 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.531 -8.448 3.245 1.00 0.00 O ATOM 0 H GLU A 57 6.892 -7.782 2.326 1.00 0.00 H new ATOM 0 HA GLU A 57 8.832 -6.239 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.895 -7.341 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.372 -8.781 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.228 -7.505 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.751 -6.065 2.191 1.00 0.00 H new ATOM 798 N ASP A 58 9.515 -7.625 -1.047 1.00 0.00 N ATOM 799 CA ASP A 58 9.995 -8.361 -2.220 1.00 0.00 C ATOM 800 C ASP A 58 11.006 -9.474 -1.843 1.00 0.00 C ATOM 801 O ASP A 58 11.754 -9.362 -0.869 1.00 0.00 O ATOM 802 CB ASP A 58 10.590 -7.355 -3.216 1.00 0.00 C ATOM 803 CG ASP A 58 10.821 -7.969 -4.601 1.00 0.00 C ATOM 804 OD1 ASP A 58 11.917 -8.517 -4.849 1.00 0.00 O ATOM 805 OD2 ASP A 58 9.900 -7.910 -5.444 1.00 0.00 O ATOM 0 H ASP A 58 9.831 -6.655 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 58 9.156 -8.879 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.920 -6.500 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.536 -6.979 -2.826 1.00 0.00 H new ATOM 809 N GLY A 59 11.024 -10.561 -2.627 1.00 0.00 N ATOM 810 CA GLY A 59 11.660 -11.839 -2.287 1.00 0.00 C ATOM 811 C GLY A 59 10.593 -12.789 -1.729 1.00 0.00 C ATOM 812 O GLY A 59 9.650 -13.105 -2.464 1.00 0.00 O ATOM 0 H GLY A 59 10.581 -10.574 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.128 -12.274 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.449 -11.684 -1.551 1.00 0.00 H new ATOM 816 N PRO A 60 10.689 -13.239 -0.460 1.00 0.00 N ATOM 817 CA PRO A 60 9.623 -13.993 0.184 1.00 0.00 C ATOM 818 C PRO A 60 8.404 -13.075 0.390 1.00 0.00 C ATOM 819 O PRO A 60 8.417 -12.182 1.237 1.00 0.00 O ATOM 820 CB PRO A 60 10.226 -14.511 1.498 1.00 0.00 C ATOM 821 CG PRO A 60 11.300 -13.478 1.839 1.00 0.00 C ATOM 822 CD PRO A 60 11.785 -13.004 0.471 1.00 0.00 C ATOM 0 HA PRO A 60 9.262 -14.834 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.474 -14.580 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.653 -15.507 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.894 -12.656 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.109 -13.918 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.051 -11.947 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.678 -13.550 0.165 1.00 0.00 H new ATOM 827 N GLY A 61 7.362 -13.301 -0.421 1.00 0.00 N ATOM 828 CA GLY A 61 6.183 -12.423 -0.545 1.00 0.00 C ATOM 829 C GLY A 61 5.825 -12.003 -1.975 1.00 0.00 C ATOM 830 O GLY A 61 4.722 -11.501 -2.192 1.00 0.00 O ATOM 0 H GLY A 61 7.311 -14.120 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.324 -12.932 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.356 -11.524 0.047 1.00 0.00 H new ATOM 834 N ARG A 62 6.690 -12.263 -2.974 1.00 0.00 N ATOM 835 CA ARG A 62 6.433 -11.957 -4.402 1.00 0.00 C ATOM 836 C ARG A 62 5.130 -12.571 -4.946 1.00 0.00 C ATOM 837 O ARG A 62 4.489 -11.965 -5.809 1.00 0.00 O ATOM 838 CB ARG A 62 7.609 -12.432 -5.271 1.00 0.00 C ATOM 839 CG ARG A 62 8.790 -11.454 -5.247 1.00 0.00 C ATOM 840 CD ARG A 62 10.006 -12.067 -5.958 1.00 0.00 C ATOM 841 NE ARG A 62 11.189 -11.194 -5.878 1.00 0.00 N ATOM 842 CZ ARG A 62 12.455 -11.557 -6.041 1.00 0.00 C ATOM 843 NH1 ARG A 62 12.806 -12.780 -6.378 1.00 0.00 N ATOM 844 NH2 ARG A 62 13.393 -10.662 -5.845 1.00 0.00 N ATOM 0 H ARG A 62 7.599 -12.697 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 62 6.324 -10.874 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.943 -13.409 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.269 -12.560 -6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.508 -10.521 -5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.048 -11.210 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.238 -13.034 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.760 -12.250 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 62 11.018 -10.209 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.092 -13.493 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.792 -13.014 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.142 -9.711 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.374 -10.916 -5.964 1.00 0.00 H new ATOM 855 N ARG A 63 4.696 -13.726 -4.421 1.00 0.00 N ATOM 856 CA ARG A 63 3.434 -14.380 -4.810 1.00 0.00 C ATOM 857 C ARG A 63 2.208 -13.475 -4.600 1.00 0.00 C ATOM 858 O ARG A 63 1.290 -13.488 -5.422 1.00 0.00 O ATOM 859 CB ARG A 63 3.259 -15.702 -4.033 1.00 0.00 C ATOM 860 CG ARG A 63 4.297 -16.758 -4.445 1.00 0.00 C ATOM 861 CD ARG A 63 4.045 -18.082 -3.711 1.00 0.00 C ATOM 862 NE ARG A 63 5.007 -19.120 -4.130 1.00 0.00 N ATOM 863 CZ ARG A 63 5.021 -20.388 -3.740 1.00 0.00 C ATOM 864 NH1 ARG A 63 4.148 -20.867 -2.880 1.00 0.00 N ATOM 865 NH2 ARG A 63 5.932 -21.209 -4.218 1.00 0.00 N ATOM 0 H ARG A 63 5.214 -14.239 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 63 3.498 -14.587 -5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.345 -15.508 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.256 -16.093 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.251 -16.919 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.300 -16.396 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.123 -17.924 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.029 -18.423 -3.910 1.00 0.00 H new ATOM 0 HE ARG A 63 5.734 -18.834 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.429 -20.257 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.190 -21.848 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.624 -20.870 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.946 -22.185 -3.920 1.00 0.00 H new ATOM 876 N LEU A 64 2.205 -12.639 -3.554 1.00 0.00 N ATOM 877 CA LEU A 64 1.123 -11.679 -3.297 1.00 0.00 C ATOM 878 C LEU A 64 1.090 -10.613 -4.403 1.00 0.00 C ATOM 879 O LEU A 64 0.077 -10.488 -5.080 1.00 0.00 O ATOM 880 CB LEU A 64 1.272 -11.126 -1.859 1.00 0.00 C ATOM 881 CG LEU A 64 0.072 -10.311 -1.313 1.00 0.00 C ATOM 882 CD1 LEU A 64 -1.248 -11.093 -1.419 1.00 0.00 C ATOM 883 CD2 LEU A 64 0.336 -9.964 0.156 1.00 0.00 C ATOM 0 H LEU A 64 2.953 -12.609 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 64 0.145 -12.158 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.452 -11.964 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.160 -10.494 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.027 -9.407 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.063 -10.486 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.446 -11.333 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.172 -12.015 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.502 -9.390 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.450 -10.882 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.248 -9.372 0.232 1.00 0.00 H new ATOM 894 N GLY A 65 2.208 -9.927 -4.676 1.00 0.00 N ATOM 895 CA GLY A 65 2.300 -8.902 -5.739 1.00 0.00 C ATOM 896 C GLY A 65 2.025 -9.434 -7.152 1.00 0.00 C ATOM 897 O GLY A 65 1.474 -8.711 -7.986 1.00 0.00 O ATOM 0 H GLY A 65 3.081 -10.064 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.592 -8.103 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.296 -8.460 -5.717 1.00 0.00 H new ATOM 901 N ARG A 66 2.334 -10.713 -7.401 1.00 0.00 N ATOM 902 CA ARG A 66 1.956 -11.453 -8.616 1.00 0.00 C ATOM 903 C ARG A 66 0.430 -11.628 -8.720 1.00 0.00 C ATOM 904 O ARG A 66 -0.143 -11.279 -9.750 1.00 0.00 O ATOM 905 CB ARG A 66 2.702 -12.798 -8.643 1.00 0.00 C ATOM 906 CG ARG A 66 2.462 -13.597 -9.933 1.00 0.00 C ATOM 907 CD ARG A 66 3.294 -14.889 -9.926 1.00 0.00 C ATOM 908 NE ARG A 66 2.996 -15.731 -11.103 1.00 0.00 N ATOM 909 CZ ARG A 66 3.537 -15.644 -12.313 1.00 0.00 C ATOM 910 NH1 ARG A 66 4.435 -14.726 -12.623 1.00 0.00 N ATOM 911 NH2 ARG A 66 3.170 -16.497 -13.248 1.00 0.00 N ATOM 0 H ARG A 66 2.870 -11.280 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 66 2.252 -10.878 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.771 -12.616 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.388 -13.397 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.403 -13.839 -10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.728 -12.990 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.355 -14.640 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.089 -15.450 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 66 2.296 -16.461 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.737 -14.050 -11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.827 -14.693 -13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.477 -17.215 -13.039 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.579 -16.439 -14.180 1.00 0.00 H new ATOM 922 N SER A 67 -0.248 -12.059 -7.656 1.00 0.00 N ATOM 923 CA SER A 67 -1.714 -12.217 -7.614 1.00 0.00 C ATOM 924 C SER A 67 -2.480 -10.889 -7.477 1.00 0.00 C ATOM 925 O SER A 67 -3.698 -10.835 -7.673 1.00 0.00 O ATOM 926 CB SER A 67 -2.093 -13.167 -6.465 1.00 0.00 C ATOM 927 OG SER A 67 -1.555 -14.463 -6.693 1.00 0.00 O ATOM 0 H SER A 67 0.208 -12.314 -6.780 1.00 0.00 H new ATOM 0 HA SER A 67 -2.011 -12.636 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.719 -12.772 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.178 -13.227 -6.378 1.00 0.00 H new ATOM 0 HG SER A 67 -0.624 -14.489 -6.388 1.00 0.00 H new ATOM 932 N PHE A 68 -1.770 -9.794 -7.182 1.00 0.00 N ATOM 933 CA PHE A 68 -2.243 -8.423 -7.359 1.00 0.00 C ATOM 934 C PHE A 68 -1.984 -7.880 -8.769 1.00 0.00 C ATOM 935 O PHE A 68 -2.546 -6.845 -9.117 1.00 0.00 O ATOM 936 CB PHE A 68 -1.592 -7.523 -6.298 1.00 0.00 C ATOM 937 CG PHE A 68 -2.402 -7.422 -5.028 1.00 0.00 C ATOM 938 CD1 PHE A 68 -3.449 -6.494 -4.955 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.104 -8.215 -3.909 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.161 -6.323 -3.757 1.00 0.00 C ATOM 941 CE2 PHE A 68 -2.809 -8.041 -2.704 1.00 0.00 C ATOM 942 CZ PHE A 68 -3.836 -7.087 -2.627 1.00 0.00 C ATOM 0 H PHE A 68 -0.824 -9.842 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.326 -8.425 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.601 -7.910 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.453 -6.525 -6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.710 -5.908 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.328 -8.964 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.962 -5.600 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.561 -8.640 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.373 -6.942 -1.701 1.00 0.00 H new ATOM 951 N GLN A 69 -1.163 -8.554 -9.581 1.00 0.00 N ATOM 952 CA GLN A 69 -0.778 -8.128 -10.929 1.00 0.00 C ATOM 953 C GLN A 69 -0.200 -6.701 -10.890 1.00 0.00 C ATOM 954 O GLN A 69 -0.675 -5.802 -11.583 1.00 0.00 O ATOM 955 CB GLN A 69 -1.940 -8.322 -11.927 1.00 0.00 C ATOM 956 CG GLN A 69 -2.372 -9.793 -12.112 1.00 0.00 C ATOM 957 CD GLN A 69 -3.228 -10.410 -10.998 1.00 0.00 C ATOM 958 OE1 GLN A 69 -3.194 -11.610 -10.770 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.041 -9.668 -10.274 1.00 0.00 N ATOM 0 H GLN A 69 -0.735 -9.439 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 69 0.023 -8.766 -11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.798 -7.742 -11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.645 -7.916 -12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.926 -9.869 -13.047 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.473 -10.399 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.095 -8.663 -10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.616 -10.099 -9.550 1.00 0.00 H new ATOM 966 N VAL A 70 0.780 -6.481 -10.004 1.00 0.00 N ATOM 967 CA VAL A 70 1.442 -5.176 -9.778 1.00 0.00 C ATOM 968 C VAL A 70 2.108 -4.672 -11.071 1.00 0.00 C ATOM 969 O VAL A 70 2.795 -5.424 -11.764 1.00 0.00 O ATOM 970 CB VAL A 70 2.439 -5.271 -8.594 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.471 -4.132 -8.563 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.671 -5.291 -7.262 1.00 0.00 C ATOM 0 H VAL A 70 1.149 -7.220 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 70 0.688 -4.438 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 70 2.993 -6.199 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.134 -4.265 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.057 -4.147 -9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.955 -3.176 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.378 -5.358 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.086 -4.377 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.004 -6.153 -7.239 1.00 0.00 H new ATOM 982 N LYS A 71 1.866 -3.398 -11.410 1.00 0.00 N ATOM 983 CA LYS A 71 2.153 -2.833 -12.741 1.00 0.00 C ATOM 984 C LYS A 71 3.623 -2.424 -12.934 1.00 0.00 C ATOM 985 O LYS A 71 4.245 -2.792 -13.939 1.00 0.00 O ATOM 986 CB LYS A 71 1.219 -1.629 -12.994 1.00 0.00 C ATOM 987 CG LYS A 71 -0.275 -1.891 -12.766 1.00 0.00 C ATOM 988 CD LYS A 71 -0.813 -3.094 -13.547 1.00 0.00 C ATOM 989 CE LYS A 71 -2.270 -3.343 -13.143 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.680 -4.748 -13.427 1.00 0.00 N ATOM 0 H LYS A 71 1.461 -2.722 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 71 1.967 -3.621 -13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.529 -0.809 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.358 -1.293 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.449 -2.052 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.839 -1.002 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.747 -2.907 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.209 -3.977 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.396 -3.133 -12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.922 -2.656 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.681 -4.875 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.550 -4.950 -14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.095 -5.400 -12.866 1.00 0.00 H new ATOM 1000 N LEU A 72 4.168 -1.667 -11.978 1.00 0.00 N ATOM 1001 CA LEU A 72 5.575 -1.266 -11.920 1.00 0.00 C ATOM 1002 C LEU A 72 6.258 -2.133 -10.850 1.00 0.00 C ATOM 1003 O LEU A 72 6.275 -3.360 -10.969 1.00 0.00 O ATOM 1004 CB LEU A 72 5.629 0.267 -11.710 1.00 0.00 C ATOM 1005 CG LEU A 72 7.007 0.938 -11.885 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.541 0.799 -13.317 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.907 2.425 -11.519 1.00 0.00 C ATOM 0 H LEU A 72 3.622 -1.304 -11.196 1.00 0.00 H new ATOM 0 HA LEU A 72 6.134 -1.443 -12.839 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.932 0.732 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.268 0.487 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 72 7.706 0.431 -11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.513 1.287 -13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.645 -0.257 -13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.845 1.269 -14.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.882 2.897 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.182 2.912 -12.171 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.586 2.524 -10.482 1.00 0.00 H new ATOM 1018 N TRP A 73 6.763 -1.509 -9.788 1.00 0.00 N ATOM 1019 CA TRP A 73 7.202 -2.171 -8.557 1.00 0.00 C ATOM 1020 C TRP A 73 6.853 -1.331 -7.316 1.00 0.00 C ATOM 1021 O TRP A 73 6.177 -1.890 -6.444 1.00 0.00 O ATOM 1022 CB TRP A 73 8.691 -2.476 -8.661 1.00 0.00 C ATOM 1023 CG TRP A 73 9.236 -3.348 -7.584 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.159 -4.699 -7.544 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.973 -2.950 -6.391 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.822 -5.164 -6.429 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.391 -4.133 -5.706 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.339 -1.711 -5.824 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 11.195 -4.084 -4.558 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 11.099 -1.657 -4.643 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.551 -2.834 -4.027 1.00 0.00 C ATOM 0 H TRP A 73 6.883 -0.496 -9.757 1.00 0.00 H new ATOM 0 HA TRP A 73 6.669 -3.114 -8.436 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.882 -2.952 -9.623 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.240 -1.534 -8.657 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.656 -5.317 -8.273 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.885 -6.148 -6.169 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.032 -0.793 -6.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.536 -4.995 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.338 -0.699 -4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.172 -2.778 -3.145 1.00 0.00 H new ATOM 1041 N PRO A 74 7.193 -0.017 -7.229 1.00 0.00 N ATOM 1042 CA PRO A 74 6.640 0.838 -6.196 1.00 0.00 C ATOM 1043 C PRO A 74 5.172 1.128 -6.522 1.00 0.00 C ATOM 1044 O PRO A 74 4.839 1.922 -7.403 1.00 0.00 O ATOM 1045 CB PRO A 74 7.510 2.096 -6.162 1.00 0.00 C ATOM 1046 CG PRO A 74 7.952 2.230 -7.619 1.00 0.00 C ATOM 1047 CD PRO A 74 8.098 0.775 -8.061 1.00 0.00 C ATOM 0 HA PRO A 74 6.649 0.376 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.950 2.968 -5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.360 1.984 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.214 2.763 -8.219 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.891 2.777 -7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.847 0.665 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.127 0.437 -7.941 1.00 0.00 H new ATOM 1052 N THR A 75 4.280 0.404 -5.846 1.00 0.00 N ATOM 1053 CA THR A 75 2.852 0.333 -6.165 1.00 0.00 C ATOM 1054 C THR A 75 2.116 -0.083 -4.906 1.00 0.00 C ATOM 1055 O THR A 75 2.560 -0.984 -4.192 1.00 0.00 O ATOM 1056 CB THR A 75 2.597 -0.691 -7.284 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.113 -0.185 -8.494 1.00 0.00 O ATOM 1058 CG2 THR A 75 1.115 -0.998 -7.519 1.00 0.00 C ATOM 0 H THR A 75 4.537 -0.165 -5.039 1.00 0.00 H new ATOM 0 HA THR A 75 2.500 1.304 -6.514 1.00 0.00 H new ATOM 0 HB THR A 75 3.084 -1.613 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.956 -0.833 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.018 -1.728 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.678 -1.403 -6.606 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.593 -0.082 -7.796 1.00 0.00 H new ATOM 1066 N PHE A 76 0.973 0.547 -4.668 1.00 0.00 N ATOM 1067 CA PHE A 76 0.137 0.292 -3.503 1.00 0.00 C ATOM 1068 C PHE A 76 -1.342 0.275 -3.893 1.00 0.00 C ATOM 1069 O PHE A 76 -1.857 1.184 -4.547 1.00 0.00 O ATOM 1070 CB PHE A 76 0.454 1.272 -2.363 1.00 0.00 C ATOM 1071 CG PHE A 76 0.887 2.646 -2.792 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.228 2.871 -3.156 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.042 3.689 -2.846 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.634 4.126 -3.622 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.382 4.956 -3.263 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.700 5.167 -3.696 1.00 0.00 C ATOM 0 H PHE A 76 0.595 1.262 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 76 0.368 -0.700 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.431 1.369 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.240 0.839 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.948 2.070 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.072 3.520 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.658 4.291 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.314 5.782 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.994 6.131 -4.086 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.004 -0.810 -3.486 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.373 -1.178 -3.868 1.00 0.00 C ATOM 1087 C VAL A 77 -4.302 -0.977 -2.670 1.00 0.00 C ATOM 1088 O VAL A 77 -4.089 -1.569 -1.607 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.431 -2.635 -4.388 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.841 -2.988 -4.875 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.415 -2.874 -5.522 1.00 0.00 C ATOM 0 H VAL A 77 -1.583 -1.489 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.704 -0.534 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.171 -3.283 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.855 -4.017 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.547 -2.882 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.125 -2.316 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.485 -3.907 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.633 -2.204 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.407 -2.680 -5.154 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.319 -0.128 -2.841 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.288 0.211 -1.799 1.00 0.00 C ATOM 1103 C PHE A 78 -7.405 -0.834 -1.798 1.00 0.00 C ATOM 1104 O PHE A 78 -8.138 -0.990 -2.783 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.850 1.633 -1.997 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.841 2.766 -1.887 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.945 2.994 -2.948 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.758 3.576 -0.733 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.961 3.983 -2.858 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.797 4.606 -0.661 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.900 4.806 -1.726 1.00 0.00 C ATOM 0 H PHE A 78 -5.494 0.351 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.789 0.203 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.319 1.684 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.635 1.799 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.019 2.396 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.431 3.407 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.249 4.112 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.750 5.241 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.164 5.594 -1.671 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.544 -1.551 -0.682 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.613 -2.514 -0.429 1.00 0.00 C ATOM 1122 C LEU A 79 -9.620 -1.971 0.591 1.00 0.00 C ATOM 1123 O LEU A 79 -9.270 -1.182 1.472 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.010 -3.845 0.061 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.798 -4.876 -1.055 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.806 -4.436 -2.122 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.356 -6.208 -0.444 1.00 0.00 C ATOM 0 H LEU A 79 -6.891 -1.473 0.098 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.150 -2.687 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.054 -3.644 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.666 -4.273 0.819 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.756 -4.985 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.711 -5.218 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.161 -3.520 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.834 -4.254 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.206 -6.940 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.423 -6.066 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.125 -6.567 0.240 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.863 -2.444 0.488 1.00 0.00 N ATOM 1139 CA ARG A 80 -11.968 -2.171 1.414 1.00 0.00 C ATOM 1140 C ARG A 80 -13.074 -3.206 1.171 1.00 0.00 C ATOM 1141 O ARG A 80 -13.352 -3.566 0.029 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.469 -0.730 1.234 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.244 -0.214 2.450 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.540 1.289 2.309 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.199 1.814 3.520 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.084 3.037 4.028 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.352 3.983 3.472 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.726 3.336 5.138 1.00 0.00 N ATOM 0 H ARG A 80 -11.142 -3.057 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.633 -2.259 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.618 -0.075 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.109 -0.680 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.179 -0.766 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.667 -0.392 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.611 1.831 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.178 1.458 1.441 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.809 1.169 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.840 3.792 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.298 4.906 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.304 2.633 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.646 4.271 5.538 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.629 -3.754 2.251 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.521 -4.936 2.238 1.00 0.00 C ATOM 1161 C ASP A 81 -13.831 -6.199 1.654 1.00 0.00 C ATOM 1162 O ASP A 81 -14.476 -7.074 1.075 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.865 -4.591 1.554 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.973 -5.627 1.837 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.173 -5.993 3.021 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.687 -6.031 0.885 1.00 0.00 O ATOM 0 H ASP A 81 -13.473 -3.386 3.189 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.748 -5.201 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.198 -3.610 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.710 -4.519 0.478 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.487 -6.250 1.729 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.653 -7.309 1.143 1.00 0.00 C ATOM 1172 C GLY A 82 -11.450 -7.220 -0.377 1.00 0.00 C ATOM 1173 O GLY A 82 -10.685 -8.011 -0.930 1.00 0.00 O ATOM 0 H GLY A 82 -11.941 -5.536 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.676 -7.288 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.103 -8.274 1.377 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.104 -6.267 -1.054 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.056 -6.031 -2.496 1.00 0.00 C ATOM 1179 C ARG A 83 -11.163 -4.826 -2.796 1.00 0.00 C ATOM 1180 O ARG A 83 -11.145 -3.846 -2.047 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.498 -5.783 -2.988 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.603 -5.756 -4.519 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.043 -5.536 -5.005 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.561 -4.203 -4.633 1.00 0.00 N ATOM 1185 CZ ARG A 83 -15.334 -3.052 -5.262 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -14.543 -2.963 -6.312 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -15.921 -1.954 -4.835 1.00 0.00 N ATOM 0 H ARG A 83 -12.715 -5.603 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.636 -6.894 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.151 -6.563 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.857 -4.836 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.966 -4.963 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.226 -6.696 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.080 -5.649 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.689 -6.306 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.156 -4.160 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.078 -3.796 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.396 -2.061 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.544 -1.989 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.753 -1.068 -5.311 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.407 -4.874 -3.890 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.675 -3.713 -4.406 1.00 0.00 C ATOM 1200 C GLU A 84 -10.674 -2.623 -4.828 1.00 0.00 C ATOM 1201 O GLU A 84 -11.507 -2.839 -5.709 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.725 -4.111 -5.549 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.147 -2.908 -6.313 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.158 -3.279 -7.430 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.846 -4.476 -7.629 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.664 -2.359 -8.115 1.00 0.00 O ATOM 0 H GLU A 84 -10.282 -5.719 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.044 -3.307 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.904 -4.700 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.260 -4.753 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.970 -2.340 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.645 -2.250 -5.604 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.554 -1.447 -4.209 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.335 -0.239 -4.537 1.00 0.00 C ATOM 1213 C VAL A 85 -10.576 0.713 -5.470 1.00 0.00 C ATOM 1214 O VAL A 85 -11.205 1.484 -6.197 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.784 0.521 -3.269 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.883 -0.267 -2.546 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.641 0.808 -2.273 1.00 0.00 C ATOM 0 H VAL A 85 -9.895 -1.298 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.222 -0.594 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.154 1.485 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.193 0.276 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.738 -0.392 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.500 -1.246 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.036 1.344 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.200 -0.133 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.879 1.416 -2.760 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.241 0.632 -5.481 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.324 1.446 -6.283 1.00 0.00 C ATOM 1229 C ALA A 86 -6.880 0.942 -6.153 1.00 0.00 C ATOM 1230 O ALA A 86 -6.592 0.071 -5.335 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.388 2.895 -5.785 1.00 0.00 C ATOM 0 H ALA A 86 -8.745 -0.041 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.623 1.379 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.710 3.512 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.405 3.271 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.094 2.932 -4.736 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.959 1.578 -6.868 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.525 1.505 -6.614 1.00 0.00 C ATOM 1239 C ARG A 87 -3.802 2.740 -7.141 1.00 0.00 C ATOM 1240 O ARG A 87 -4.287 3.406 -8.055 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.946 0.207 -7.180 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.004 0.098 -8.710 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.215 -1.137 -9.133 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.947 -2.382 -8.860 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.495 -3.618 -8.995 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.272 -3.887 -9.403 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.285 -4.625 -8.726 1.00 0.00 N ATOM 0 H ARG A 87 -6.195 2.174 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.366 1.491 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.907 0.118 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.486 -0.636 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.038 0.021 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.585 0.993 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.990 -1.076 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.261 -1.155 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.907 -2.282 -8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.631 -3.127 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.966 -4.856 -9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.241 -4.454 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.945 -5.581 -8.827 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.634 3.027 -6.581 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.741 4.106 -7.031 1.00 0.00 C ATOM 1260 C VAL A 88 -0.394 3.477 -7.413 1.00 0.00 C ATOM 1261 O VAL A 88 0.188 2.725 -6.633 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.581 5.165 -5.917 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.479 6.198 -6.233 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.866 5.947 -5.604 1.00 0.00 C ATOM 0 H VAL A 88 -2.266 2.509 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.158 4.617 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.308 4.570 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.410 6.918 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.477 5.687 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.724 6.720 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.669 6.669 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.200 6.472 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.643 5.255 -5.279 1.00 0.00 H new ATOM 1274 N VAL A 89 0.072 3.783 -8.622 1.00 0.00 N ATOM 1275 CA VAL A 89 1.352 3.323 -9.186 1.00 0.00 C ATOM 1276 C VAL A 89 2.265 4.540 -9.341 1.00 0.00 C ATOM 1277 O VAL A 89 1.857 5.532 -9.948 1.00 0.00 O ATOM 1278 CB VAL A 89 1.152 2.636 -10.566 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.485 2.215 -11.212 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.247 1.400 -10.458 1.00 0.00 C ATOM 0 H VAL A 89 -0.447 4.381 -9.265 1.00 0.00 H new ATOM 0 HA VAL A 89 1.795 2.586 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 89 0.676 3.384 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.289 1.740 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.110 3.095 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.000 1.511 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.131 0.947 -11.443 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.697 0.678 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.730 1.697 -10.078 1.00 0.00 H new ATOM 1290 N ARG A 90 3.490 4.461 -8.798 1.00 0.00 N ATOM 1291 CA ARG A 90 4.558 5.469 -8.924 1.00 0.00 C ATOM 1292 C ARG A 90 4.106 6.875 -8.426 1.00 0.00 C ATOM 1293 O ARG A 90 3.731 7.716 -9.252 1.00 0.00 O ATOM 1294 CB ARG A 90 5.062 5.495 -10.384 1.00 0.00 C ATOM 1295 CG ARG A 90 6.420 6.197 -10.505 1.00 0.00 C ATOM 1296 CD ARG A 90 6.900 6.232 -11.960 1.00 0.00 C ATOM 1297 NE ARG A 90 8.228 6.858 -12.068 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.947 6.993 -13.179 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.514 6.556 -14.346 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.123 7.579 -13.124 1.00 0.00 N ATOM 0 H ARG A 90 3.777 3.660 -8.235 1.00 0.00 H new ATOM 0 HA ARG A 90 5.386 5.186 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.146 4.475 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.332 6.006 -11.012 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.342 7.214 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.156 5.679 -9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.940 5.218 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.184 6.784 -12.569 1.00 0.00 H new ATOM 0 HE ARG A 90 8.636 7.224 -11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.604 6.100 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.089 6.674 -15.180 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.478 7.927 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.680 7.686 -13.972 1.00 0.00 H new ATOM 1311 N PRO A 91 4.119 7.166 -7.103 1.00 0.00 N ATOM 1312 CA PRO A 91 3.672 8.453 -6.551 1.00 0.00 C ATOM 1313 C PRO A 91 4.538 9.618 -7.054 1.00 0.00 C ATOM 1314 O PRO A 91 5.766 9.575 -6.944 1.00 0.00 O ATOM 1315 CB PRO A 91 3.747 8.313 -5.035 1.00 0.00 C ATOM 1316 CG PRO A 91 4.741 7.180 -4.804 1.00 0.00 C ATOM 1317 CD PRO A 91 4.572 6.289 -6.034 1.00 0.00 C ATOM 0 HA PRO A 91 2.657 8.684 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.084 9.238 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.771 8.078 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.761 7.554 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.522 6.638 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.512 5.805 -6.298 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.848 5.497 -5.846 1.00 0.00 H new ATOM 1322 N GLY A 92 3.897 10.665 -7.601 1.00 0.00 N ATOM 1323 CA GLY A 92 4.576 11.862 -8.120 1.00 0.00 C ATOM 1324 C GLY A 92 4.819 12.936 -7.056 1.00 0.00 C ATOM 1325 O GLY A 92 5.840 13.625 -7.087 1.00 0.00 O ATOM 0 H GLY A 92 2.882 10.703 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.532 11.568 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.978 12.289 -8.926 1.00 0.00 H new ATOM 1329 N SER A 93 3.906 13.052 -6.093 1.00 0.00 N ATOM 1330 CA SER A 93 3.920 13.986 -4.954 1.00 0.00 C ATOM 1331 C SER A 93 2.724 13.708 -4.030 1.00 0.00 C ATOM 1332 O SER A 93 1.733 13.089 -4.449 1.00 0.00 O ATOM 1333 CB SER A 93 3.878 15.457 -5.417 1.00 0.00 C ATOM 1334 OG SER A 93 4.143 16.343 -4.338 1.00 0.00 O ATOM 0 H SER A 93 3.077 12.457 -6.082 1.00 0.00 H new ATOM 0 HA SER A 93 4.853 13.827 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.612 15.613 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.899 15.680 -5.842 1.00 0.00 H new ATOM 0 HG SER A 93 4.112 17.268 -4.659 1.00 0.00 H new ATOM 1339 N ALA A 94 2.771 14.202 -2.788 1.00 0.00 N ATOM 1340 CA ALA A 94 1.682 14.096 -1.812 1.00 0.00 C ATOM 1341 C ALA A 94 0.358 14.662 -2.349 1.00 0.00 C ATOM 1342 O ALA A 94 -0.697 14.139 -2.021 1.00 0.00 O ATOM 1343 CB ALA A 94 2.122 14.810 -0.536 1.00 0.00 C ATOM 0 H ALA A 94 3.586 14.698 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 94 1.486 13.044 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.329 14.746 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.024 14.337 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.328 15.857 -0.758 1.00 0.00 H new ATOM 1349 N SER A 95 0.379 15.639 -3.249 1.00 0.00 N ATOM 1350 CA SER A 95 -0.824 16.145 -3.925 1.00 0.00 C ATOM 1351 C SER A 95 -1.555 15.083 -4.775 1.00 0.00 C ATOM 1352 O SER A 95 -2.776 15.160 -4.908 1.00 0.00 O ATOM 1353 CB SER A 95 -0.436 17.337 -4.814 1.00 0.00 C ATOM 1354 OG SER A 95 0.601 16.989 -5.725 1.00 0.00 O ATOM 0 H SER A 95 1.236 16.111 -3.537 1.00 0.00 H new ATOM 0 HA SER A 95 -1.522 16.445 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.310 17.679 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.110 18.168 -4.189 1.00 0.00 H new ATOM 0 HG SER A 95 0.825 17.766 -6.278 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.849 14.072 -5.301 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.398 12.962 -6.096 1.00 0.00 C ATOM 1361 C VAL A 96 -1.727 11.761 -5.200 1.00 0.00 C ATOM 1362 O VAL A 96 -2.749 11.104 -5.396 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.404 12.551 -7.212 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.940 11.391 -8.066 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.058 13.728 -8.143 1.00 0.00 C ATOM 0 H VAL A 96 0.161 14.002 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.322 13.301 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 96 0.498 12.227 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.210 11.138 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.115 10.522 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.876 11.689 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.641 13.393 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.968 14.096 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.398 14.530 -7.562 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.894 11.494 -4.189 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.118 10.409 -3.236 1.00 0.00 C ATOM 1377 C LEU A 97 -2.290 10.722 -2.292 1.00 0.00 C ATOM 1378 O LEU A 97 -3.205 9.907 -2.173 1.00 0.00 O ATOM 1379 CB LEU A 97 0.207 10.120 -2.501 1.00 0.00 C ATOM 1380 CG LEU A 97 0.562 8.619 -2.468 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.930 8.361 -1.849 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.506 7.881 -1.680 1.00 0.00 C ATOM 0 H LEU A 97 -0.043 12.028 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.417 9.501 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.014 10.668 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.139 10.494 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 97 0.602 8.258 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.133 7.290 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.695 8.876 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.942 8.733 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.266 6.818 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.545 8.274 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.474 8.021 -2.160 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.340 11.917 -1.691 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.456 12.338 -0.833 1.00 0.00 C ATOM 1395 C GLU A 98 -4.794 12.390 -1.607 1.00 0.00 C ATOM 1396 O GLU A 98 -5.834 12.051 -1.044 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.218 13.714 -0.204 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.090 13.906 0.821 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.969 15.379 1.255 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -3.005 16.010 1.575 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -0.837 15.915 1.314 1.00 0.00 O ATOM 0 H GLU A 98 -1.607 12.620 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.514 11.585 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.039 14.416 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.148 14.015 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.280 13.282 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.145 13.573 0.391 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.778 12.776 -2.896 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.957 12.819 -3.784 1.00 0.00 C ATOM 1408 C GLU A 99 -6.613 11.440 -3.949 1.00 0.00 C ATOM 1409 O GLU A 99 -7.835 11.318 -4.082 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.526 13.356 -5.158 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.573 13.180 -6.263 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.266 14.094 -7.462 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.685 15.277 -7.450 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.633 13.626 -8.440 1.00 0.00 O ATOM 0 H GLU A 99 -3.922 13.075 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.698 13.476 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.291 14.416 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.608 12.852 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.592 12.140 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.564 13.409 -5.870 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.806 10.380 -3.940 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.317 9.017 -3.900 1.00 0.00 C ATOM 1421 C ALA A 100 -6.781 8.646 -2.489 1.00 0.00 C ATOM 1422 O ALA A 100 -7.890 8.150 -2.324 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.240 8.079 -4.448 1.00 0.00 C ATOM 0 H ALA A 100 -4.788 10.444 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.201 8.922 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.606 7.052 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.003 8.357 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.342 8.158 -3.835 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.007 8.954 -1.450 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.366 8.608 -0.081 1.00 0.00 C ATOM 1431 C PHE A 101 -7.731 9.172 0.333 1.00 0.00 C ATOM 1432 O PHE A 101 -8.576 8.410 0.794 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.279 9.076 0.870 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.274 8.003 1.223 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.334 7.550 0.277 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.246 7.499 2.537 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.358 6.631 0.679 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.250 6.601 2.934 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.292 6.189 2.001 1.00 0.00 C ATOM 0 H PHE A 101 -5.119 9.448 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.452 7.523 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.754 9.919 0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.743 9.442 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.366 7.906 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.000 7.809 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.647 6.259 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.221 6.230 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.497 5.525 2.306 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.975 10.466 0.108 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.280 11.086 0.361 1.00 0.00 C ATOM 1450 C GLU A 102 -10.433 10.400 -0.390 1.00 0.00 C ATOM 1451 O GLU A 102 -11.539 10.306 0.132 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.282 12.591 0.055 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.876 13.017 -1.361 1.00 0.00 C ATOM 1454 CD GLU A 102 -10.026 13.608 -2.203 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.976 12.870 -2.546 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.955 14.810 -2.558 1.00 0.00 O ATOM 0 H GLU A 102 -7.275 11.113 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.452 10.948 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.284 12.974 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.611 13.081 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.077 13.755 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.466 12.153 -1.884 1.00 0.00 H new ATOM 1461 N SER A 103 -10.162 9.886 -1.584 1.00 0.00 N ATOM 1462 CA SER A 103 -11.164 9.198 -2.393 1.00 0.00 C ATOM 1463 C SER A 103 -11.497 7.794 -1.845 1.00 0.00 C ATOM 1464 O SER A 103 -12.645 7.351 -1.943 1.00 0.00 O ATOM 1465 CB SER A 103 -10.683 9.125 -3.846 1.00 0.00 C ATOM 1466 OG SER A 103 -11.715 8.651 -4.706 1.00 0.00 O ATOM 0 H SER A 103 -9.241 9.934 -2.020 1.00 0.00 H new ATOM 0 HA SER A 103 -12.090 9.772 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.357 10.112 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.818 8.465 -3.913 1.00 0.00 H new ATOM 0 HG SER A 103 -11.383 8.615 -5.627 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.528 7.107 -1.210 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.699 5.727 -0.730 1.00 0.00 C ATOM 1473 C LEU A 104 -11.003 5.638 0.769 1.00 0.00 C ATOM 1474 O LEU A 104 -11.663 4.692 1.207 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.477 4.863 -1.106 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.372 4.461 -2.598 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.732 4.149 -3.251 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.640 5.504 -3.446 1.00 0.00 C ATOM 0 H LEU A 104 -9.605 7.496 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.579 5.330 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.573 5.406 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.499 3.954 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.785 3.543 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.580 3.875 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.207 3.321 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.372 5.029 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.598 5.167 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.173 6.453 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.627 5.636 -3.066 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.589 6.639 1.554 1.00 0.00 N ATOM 1490 CA VAL A 105 -10.961 6.794 2.960 1.00 0.00 C ATOM 1491 C VAL A 105 -12.449 7.169 3.106 1.00 0.00 C ATOM 1492 O VAL A 105 -13.072 6.852 4.118 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.052 7.840 3.650 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.528 9.278 3.429 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -9.950 7.568 5.152 1.00 0.00 C ATOM 0 H VAL A 105 -9.972 7.379 1.219 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.815 5.835 3.457 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.070 7.739 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.852 9.967 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.537 9.498 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.534 9.394 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.306 8.316 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.943 7.618 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.528 6.576 5.314 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.013 7.822 2.077 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.421 8.238 2.016 1.00 0.00 C ATOM 1507 C GLY A 106 -14.690 9.665 2.506 1.00 0.00 C ATOM 1508 O GLY A 106 -15.848 10.022 2.718 1.00 0.00 O ATOM 0 H GLY A 106 -12.487 8.081 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.767 8.151 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.016 7.546 2.612 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.640 10.480 2.679 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.778 11.906 3.008 1.00 0.00 C ATOM 1514 C GLU A 107 -14.177 12.723 1.767 1.00 0.00 C ATOM 1515 O GLU A 107 -14.949 13.678 1.881 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.458 12.437 3.593 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.285 12.117 5.086 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.235 12.947 5.964 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.936 14.139 6.214 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.274 12.419 6.424 1.00 0.00 O ATOM 0 H GLU A 107 -12.672 10.170 2.595 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.569 12.013 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.624 12.009 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.414 13.517 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.470 11.056 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.254 12.312 5.382 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.697 12.314 0.591 1.00 0.00 N ATOM 1526 CA GLY A 108 -14.032 12.909 -0.702 1.00 0.00 C ATOM 1527 C GLY A 108 -13.427 14.295 -0.929 1.00 0.00 C ATOM 1528 O GLY A 108 -12.590 14.780 -0.159 1.00 0.00 O ATOM 0 H GLY A 108 -13.044 11.535 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.693 12.242 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.116 12.980 -0.787 1.00 0.00 H new TER 1532 GLY A 108