USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 64 ASN : amide:sc= -2.67 K(o=-8.7,f=-12!) USER MOD Set 1.2: A 87 GLN : amide:sc= -5.99! C(o=-8.7!,f=-12!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -6.97! C(o=-9.3!,f=-14!) USER MOD Set 2.2: A 51 TYR OH : rot -29:sc= -2.3! USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 ASN : amide:sc= -2.45 K(o=-2.4,f=-3.6!) USER MOD Single : A 1 SER N :NH3+ -118:sc= 0.946 (180deg=0.012) USER MOD Single : A 1 SER OG : rot 120:sc= -1.92! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -79:sc= -1.51 USER MOD Single : A 7 SER OG : rot 143:sc= -2.04! USER MOD Single : A 8 HIS : no HD1:sc= -1.41! C(o=-1.4!,f=-6.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.564 USER MOD Single : A 24 MET CE :methyl -170:sc= -2.33 (180deg=-2.71) USER MOD Single : A 25 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.53) USER MOD Single : A 33 TYR OH : rot -90:sc= -0.774 USER MOD Single : A 42 SER OG : rot -48:sc= 0.257 USER MOD Single : A 44 SER OG : rot -56:sc= 0.14 USER MOD Single : A 47 THR OG1 : rot 66:sc= -1.59! USER MOD Single : A 53 ASN : amide:sc= -1.27! C(o=-1.3!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.608 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -173:sc= -0.301 (180deg=-0.397) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -100:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= -0.223 (180deg=-1.26!) USER MOD Single : A 81 ASN : amide:sc= -3.76! C(o=-3.8!,f=-7.4!) USER MOD Single : A 82 SER OG : rot 56:sc= 1.48 USER MOD Single : A 85 CYS SG : rot 170:sc= -1.09 USER MOD Single : A 90 MET CE :methyl -166:sc= -0.817 (180deg=-1.13) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 105 GLN : amide:sc= -8.47! C(o=-8.5!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.055 -9.075 3.368 1.00 0.00 N ATOM 2 CA SER A 1 9.959 -9.843 2.712 1.00 0.00 C ATOM 3 C SER A 1 9.873 -9.433 1.233 1.00 0.00 C ATOM 4 O SER A 1 10.322 -8.370 0.859 1.00 0.00 O ATOM 5 CB SER A 1 8.627 -9.537 3.424 1.00 0.00 C ATOM 6 OG SER A 1 8.901 -8.987 4.702 1.00 0.00 O ATOM 0 H1 SER A 1 11.782 -9.734 3.713 1.00 0.00 H new ATOM 0 H2 SER A 1 11.479 -8.420 2.681 1.00 0.00 H new ATOM 0 H3 SER A 1 10.669 -8.535 4.169 1.00 0.00 H new ATOM 0 HA SER A 1 10.161 -10.912 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.036 -8.838 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.036 -10.448 3.525 1.00 0.00 H new ATOM 0 HG SER A 1 8.512 -8.089 4.762 1.00 0.00 H new ATOM 14 N LYS A 2 9.292 -10.253 0.399 1.00 0.00 N ATOM 15 CA LYS A 2 9.179 -9.881 -1.027 1.00 0.00 C ATOM 16 C LYS A 2 7.930 -9.032 -1.178 1.00 0.00 C ATOM 17 O LYS A 2 6.852 -9.439 -0.810 1.00 0.00 O ATOM 18 CB LYS A 2 9.044 -11.161 -1.873 1.00 0.00 C ATOM 19 CG LYS A 2 10.404 -11.570 -2.461 1.00 0.00 C ATOM 20 CD LYS A 2 10.696 -10.764 -3.735 1.00 0.00 C ATOM 21 CE LYS A 2 12.019 -11.236 -4.337 1.00 0.00 C ATOM 22 NZ LYS A 2 12.290 -10.480 -5.594 1.00 0.00 N ATOM 0 H LYS A 2 8.895 -11.159 0.649 1.00 0.00 H new ATOM 0 HA LYS A 2 10.058 -9.329 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.650 -11.970 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.329 -10.997 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.191 -11.401 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.404 -12.636 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.888 -10.894 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.747 -9.700 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.830 -11.082 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.976 -12.305 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.190 -10.800 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.520 -10.648 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.349 -9.464 -5.382 1.00 0.00 H new ATOM 36 N VAL A 3 8.059 -7.849 -1.686 1.00 0.00 N ATOM 37 CA VAL A 3 6.880 -6.958 -1.838 1.00 0.00 C ATOM 38 C VAL A 3 6.712 -6.617 -3.307 1.00 0.00 C ATOM 39 O VAL A 3 7.624 -6.138 -3.921 1.00 0.00 O ATOM 40 CB VAL A 3 7.183 -5.685 -1.034 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.278 -4.524 -1.455 1.00 0.00 C ATOM 42 CG2 VAL A 3 7.029 -5.964 0.471 1.00 0.00 C ATOM 0 H VAL A 3 8.942 -7.452 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 3 5.964 -7.430 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 3 8.212 -5.393 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.521 -3.641 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.432 -4.308 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.236 -4.796 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.246 -5.056 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.008 -6.285 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.724 -6.749 0.768 1.00 0.00 H new ATOM 52 N VAL A 4 5.553 -6.849 -3.868 1.00 0.00 N ATOM 53 CA VAL A 4 5.336 -6.517 -5.305 1.00 0.00 C ATOM 54 C VAL A 4 4.319 -5.378 -5.434 1.00 0.00 C ATOM 55 O VAL A 4 3.237 -5.425 -4.911 1.00 0.00 O ATOM 56 CB VAL A 4 4.830 -7.752 -6.037 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.452 -7.386 -7.480 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.922 -8.826 -6.054 1.00 0.00 C ATOM 0 H VAL A 4 4.748 -7.255 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 4 6.279 -6.195 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 4 3.950 -8.136 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.091 -8.274 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.669 -6.628 -7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.328 -6.995 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.556 -9.709 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.804 -8.440 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.184 -9.095 -5.031 1.00 0.00 H new ATOM 68 N TYR A 5 4.674 -4.387 -6.189 1.00 0.00 N ATOM 69 CA TYR A 5 3.774 -3.237 -6.459 1.00 0.00 C ATOM 70 C TYR A 5 3.319 -3.340 -7.910 1.00 0.00 C ATOM 71 O TYR A 5 4.124 -3.297 -8.813 1.00 0.00 O ATOM 72 CB TYR A 5 4.530 -1.922 -6.254 1.00 0.00 C ATOM 73 CG TYR A 5 4.732 -1.661 -4.779 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.719 -1.057 -4.019 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.943 -2.007 -4.165 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.922 -0.802 -2.654 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.142 -1.743 -2.805 1.00 0.00 C ATOM 78 CZ TYR A 5 5.136 -1.142 -2.056 1.00 0.00 C ATOM 79 OH TYR A 5 5.347 -0.875 -0.714 1.00 0.00 O ATOM 0 H TYR A 5 5.583 -4.322 -6.647 1.00 0.00 H new ATOM 0 HA TYR A 5 2.920 -3.255 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.495 -1.966 -6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.973 -1.100 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.782 -0.788 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.725 -2.478 -4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.140 -0.343 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.079 -2.007 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 5 5.567 0.073 -0.600 1.00 0.00 H new ATOM 89 N VAL A 6 2.039 -3.439 -8.152 1.00 0.00 N ATOM 90 CA VAL A 6 1.543 -3.506 -9.557 1.00 0.00 C ATOM 91 C VAL A 6 1.003 -2.126 -9.911 1.00 0.00 C ATOM 92 O VAL A 6 0.035 -1.659 -9.353 1.00 0.00 O ATOM 93 CB VAL A 6 0.456 -4.569 -9.705 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.150 -4.773 -11.189 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.954 -5.885 -9.106 1.00 0.00 C ATOM 0 H VAL A 6 1.314 -3.476 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 6 2.351 -3.787 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.447 -4.248 -9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.625 -5.531 -11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.196 -3.834 -11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.053 -5.099 -11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.182 -6.647 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.853 -6.207 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.183 -5.741 -8.050 1.00 0.00 H new ATOM 105 N SER A 7 1.660 -1.466 -10.808 1.00 0.00 N ATOM 106 CA SER A 7 1.247 -0.096 -11.183 1.00 0.00 C ATOM 107 C SER A 7 -0.038 -0.126 -11.998 1.00 0.00 C ATOM 108 O SER A 7 -0.592 -1.168 -12.289 1.00 0.00 O ATOM 109 CB SER A 7 2.354 0.558 -12.007 1.00 0.00 C ATOM 110 OG SER A 7 2.692 -0.296 -13.090 1.00 0.00 O ATOM 0 H SER A 7 2.477 -1.821 -11.305 1.00 0.00 H new ATOM 0 HA SER A 7 1.070 0.477 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.022 1.527 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.230 0.740 -11.384 1.00 0.00 H new ATOM 0 HG SER A 7 2.894 0.245 -13.882 1.00 0.00 H new ATOM 116 N HIS A 8 -0.498 1.029 -12.375 1.00 0.00 N ATOM 117 CA HIS A 8 -1.738 1.116 -13.192 1.00 0.00 C ATOM 118 C HIS A 8 -1.381 0.742 -14.629 1.00 0.00 C ATOM 119 O HIS A 8 -2.107 0.032 -15.298 1.00 0.00 O ATOM 120 CB HIS A 8 -2.343 2.549 -13.124 1.00 0.00 C ATOM 121 CG HIS A 8 -1.447 3.476 -12.340 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.882 3.117 -11.117 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.027 4.762 -12.578 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.164 4.168 -10.677 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.221 5.192 -11.536 1.00 0.00 N ATOM 0 H HIS A 8 -0.066 1.925 -12.151 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.492 0.431 -12.805 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.481 2.938 -14.133 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.328 2.510 -12.659 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.286 5.350 -13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.388 4.182 -9.749 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.234 6.100 -11.443 1.00 0.00 H new ATOM 134 N ASP A 9 -0.268 1.225 -15.118 1.00 0.00 N ATOM 135 CA ASP A 9 0.128 0.905 -16.519 1.00 0.00 C ATOM 136 C ASP A 9 0.494 -0.580 -16.648 1.00 0.00 C ATOM 137 O ASP A 9 0.742 -1.068 -17.731 1.00 0.00 O ATOM 138 CB ASP A 9 1.323 1.769 -16.935 1.00 0.00 C ATOM 139 CG ASP A 9 2.488 1.534 -15.969 1.00 0.00 C ATOM 140 OD1 ASP A 9 2.479 0.516 -15.297 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.372 2.374 -15.926 1.00 0.00 O ATOM 0 H ASP A 9 0.381 1.825 -14.609 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.717 1.117 -17.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.626 1.523 -17.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.042 2.822 -16.932 1.00 0.00 H new ATOM 146 N GLY A 10 0.512 -1.316 -15.554 1.00 0.00 N ATOM 147 CA GLY A 10 0.838 -2.781 -15.629 1.00 0.00 C ATOM 148 C GLY A 10 2.294 -3.049 -15.221 1.00 0.00 C ATOM 149 O GLY A 10 2.683 -4.183 -15.024 1.00 0.00 O ATOM 0 H GLY A 10 0.316 -0.965 -14.617 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.166 -3.339 -14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.670 -3.142 -16.644 1.00 0.00 H new ATOM 153 N THR A 11 3.107 -2.033 -15.120 1.00 0.00 N ATOM 154 CA THR A 11 4.533 -2.262 -14.737 1.00 0.00 C ATOM 155 C THR A 11 4.621 -2.718 -13.279 1.00 0.00 C ATOM 156 O THR A 11 4.063 -2.114 -12.381 1.00 0.00 O ATOM 157 CB THR A 11 5.345 -0.969 -14.997 1.00 0.00 C ATOM 158 OG1 THR A 11 6.460 -1.287 -15.824 1.00 0.00 O ATOM 159 CG2 THR A 11 5.857 -0.314 -13.704 1.00 0.00 C ATOM 0 H THR A 11 2.850 -1.060 -15.284 1.00 0.00 H new ATOM 0 HA THR A 11 4.962 -3.057 -15.346 1.00 0.00 H new ATOM 0 HB THR A 11 4.677 -0.256 -15.480 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.981 -0.475 -15.997 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.418 0.587 -13.950 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.011 -0.052 -13.069 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.505 -1.012 -13.175 1.00 0.00 H new ATOM 167 N ARG A 12 5.322 -3.795 -13.047 1.00 0.00 N ATOM 168 CA ARG A 12 5.468 -4.329 -11.650 1.00 0.00 C ATOM 169 C ARG A 12 6.823 -3.922 -11.066 1.00 0.00 C ATOM 170 O ARG A 12 7.853 -4.070 -11.695 1.00 0.00 O ATOM 171 CB ARG A 12 5.393 -5.864 -11.651 1.00 0.00 C ATOM 172 CG ARG A 12 4.183 -6.356 -12.463 1.00 0.00 C ATOM 173 CD ARG A 12 3.734 -7.751 -11.972 1.00 0.00 C ATOM 174 NE ARG A 12 3.255 -8.554 -13.139 1.00 0.00 N ATOM 175 CZ ARG A 12 3.992 -9.507 -13.666 1.00 0.00 C ATOM 176 NH1 ARG A 12 5.171 -9.803 -13.178 1.00 0.00 N ATOM 177 NH2 ARG A 12 3.535 -10.171 -14.690 1.00 0.00 N ATOM 0 H ARG A 12 5.805 -4.335 -13.765 1.00 0.00 H new ATOM 0 HA ARG A 12 4.658 -3.915 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.310 -6.276 -12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.321 -6.229 -10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.360 -5.648 -12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.442 -6.402 -13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.563 -8.261 -11.481 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.939 -7.651 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 12 2.336 -8.358 -13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.534 -9.291 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.727 -10.546 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.616 -9.949 -15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.096 -10.913 -15.109 1.00 0.00 H new ATOM 191 N ARG A 13 6.826 -3.434 -9.850 1.00 0.00 N ATOM 192 CA ARG A 13 8.092 -3.038 -9.176 1.00 0.00 C ATOM 193 C ARG A 13 8.146 -3.822 -7.867 1.00 0.00 C ATOM 194 O ARG A 13 7.275 -3.687 -7.025 1.00 0.00 O ATOM 195 CB ARG A 13 8.052 -1.540 -8.861 1.00 0.00 C ATOM 196 CG ARG A 13 9.474 -1.007 -8.608 1.00 0.00 C ATOM 197 CD ARG A 13 10.238 -0.734 -9.925 1.00 0.00 C ATOM 198 NE ARG A 13 10.827 0.637 -9.882 1.00 0.00 N ATOM 199 CZ ARG A 13 10.049 1.686 -9.853 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.754 1.540 -9.912 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.574 2.881 -9.796 1.00 0.00 N ATOM 0 H ARG A 13 5.986 -3.292 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 13 8.959 -3.243 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.596 -0.999 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.429 -1.363 -7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.417 -0.087 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.030 -1.729 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.025 -1.476 -10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.563 -0.825 -10.776 1.00 0.00 H new ATOM 0 HE ARG A 13 11.840 0.755 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.349 0.607 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.147 2.359 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.588 2.992 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.970 3.703 -9.773 1.00 0.00 H new ATOM 215 N GLU A 14 9.129 -4.656 -7.695 1.00 0.00 N ATOM 216 CA GLU A 14 9.214 -5.480 -6.451 1.00 0.00 C ATOM 217 C GLU A 14 10.331 -4.961 -5.526 1.00 0.00 C ATOM 218 O GLU A 14 11.459 -4.789 -5.946 1.00 0.00 O ATOM 219 CB GLU A 14 9.506 -6.934 -6.843 1.00 0.00 C ATOM 220 CG GLU A 14 8.688 -7.300 -8.088 1.00 0.00 C ATOM 221 CD GLU A 14 8.660 -8.822 -8.253 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.214 -9.505 -7.410 1.00 0.00 O ATOM 223 OE2 GLU A 14 8.084 -9.277 -9.230 1.00 0.00 O ATOM 0 H GLU A 14 9.884 -4.807 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 14 8.268 -5.414 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.570 -7.062 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.254 -7.602 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.672 -6.915 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.125 -6.836 -8.972 1.00 0.00 H new ATOM 230 N LEU A 15 10.028 -4.734 -4.264 1.00 0.00 N ATOM 231 CA LEU A 15 11.071 -4.251 -3.291 1.00 0.00 C ATOM 232 C LEU A 15 11.179 -5.219 -2.117 1.00 0.00 C ATOM 233 O LEU A 15 10.334 -6.056 -1.892 1.00 0.00 O ATOM 234 CB LEU A 15 10.691 -2.880 -2.653 1.00 0.00 C ATOM 235 CG LEU A 15 9.690 -2.122 -3.494 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.290 -0.843 -2.739 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.307 -1.729 -4.851 1.00 0.00 C ATOM 0 H LEU A 15 9.099 -4.863 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 15 11.997 -4.170 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.277 -3.045 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.590 -2.277 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 15 8.821 -2.755 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.567 -0.282 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.845 -1.110 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.174 -0.229 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.570 -1.184 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.179 -1.096 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.609 -2.628 -5.388 1.00 0.00 H new ATOM 249 N ASP A 16 12.183 -5.011 -1.329 1.00 0.00 N ATOM 250 CA ASP A 16 12.357 -5.791 -0.091 1.00 0.00 C ATOM 251 C ASP A 16 11.948 -4.825 1.020 1.00 0.00 C ATOM 252 O ASP A 16 12.606 -3.827 1.239 1.00 0.00 O ATOM 253 CB ASP A 16 13.828 -6.195 0.063 1.00 0.00 C ATOM 254 CG ASP A 16 13.985 -7.094 1.292 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.012 -7.256 2.006 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.075 -7.603 1.491 1.00 0.00 O ATOM 0 H ASP A 16 12.908 -4.314 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 16 11.770 -6.710 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.167 -6.720 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.451 -5.307 0.167 1.00 0.00 H new ATOM 261 N VAL A 17 10.887 -5.100 1.735 1.00 0.00 N ATOM 262 CA VAL A 17 10.451 -4.185 2.852 1.00 0.00 C ATOM 263 C VAL A 17 10.736 -4.893 4.175 1.00 0.00 C ATOM 264 O VAL A 17 10.266 -5.985 4.423 1.00 0.00 O ATOM 265 CB VAL A 17 8.949 -3.887 2.672 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.473 -2.813 3.654 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.750 -3.387 1.234 1.00 0.00 C ATOM 0 H VAL A 17 10.297 -5.921 1.598 1.00 0.00 H new ATOM 0 HA VAL A 17 10.990 -3.237 2.842 1.00 0.00 H new ATOM 0 HB VAL A 17 8.371 -4.790 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.410 -2.626 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.638 -3.155 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.031 -1.892 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.696 -3.165 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.340 -2.484 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.073 -4.157 0.533 1.00 0.00 H new ATOM 277 N ALA A 18 11.547 -4.296 5.011 1.00 0.00 N ATOM 278 CA ALA A 18 11.916 -4.949 6.299 1.00 0.00 C ATOM 279 C ALA A 18 10.712 -5.046 7.233 1.00 0.00 C ATOM 280 O ALA A 18 9.739 -4.329 7.119 1.00 0.00 O ATOM 281 CB ALA A 18 13.048 -4.150 6.970 1.00 0.00 C ATOM 0 H ALA A 18 11.970 -3.381 4.854 1.00 0.00 H new ATOM 0 HA ALA A 18 12.257 -5.963 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.320 -4.625 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.916 -4.126 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.710 -3.132 7.162 1.00 0.00 H new ATOM 287 N ASP A 19 10.796 -5.950 8.170 1.00 0.00 N ATOM 288 CA ASP A 19 9.703 -6.148 9.141 1.00 0.00 C ATOM 289 C ASP A 19 9.411 -4.846 9.880 1.00 0.00 C ATOM 290 O ASP A 19 10.299 -4.117 10.269 1.00 0.00 O ATOM 291 CB ASP A 19 10.125 -7.217 10.152 1.00 0.00 C ATOM 292 CG ASP A 19 11.387 -6.760 10.877 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.013 -5.823 10.409 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.707 -7.355 11.893 1.00 0.00 O ATOM 0 H ASP A 19 11.597 -6.569 8.299 1.00 0.00 H new ATOM 0 HA ASP A 19 8.804 -6.463 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.323 -7.391 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.308 -8.163 9.642 1.00 0.00 H new ATOM 299 N GLY A 20 8.161 -4.576 10.080 1.00 0.00 N ATOM 300 CA GLY A 20 7.766 -3.342 10.811 1.00 0.00 C ATOM 301 C GLY A 20 7.859 -2.106 9.915 1.00 0.00 C ATOM 302 O GLY A 20 7.595 -1.007 10.357 1.00 0.00 O ATOM 0 H GLY A 20 7.385 -5.160 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.747 -3.448 11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.410 -3.211 11.681 1.00 0.00 H new ATOM 306 N VAL A 21 8.224 -2.239 8.664 1.00 0.00 N ATOM 307 CA VAL A 21 8.313 -1.027 7.789 1.00 0.00 C ATOM 308 C VAL A 21 6.971 -0.823 7.104 1.00 0.00 C ATOM 309 O VAL A 21 6.264 -1.770 6.819 1.00 0.00 O ATOM 310 CB VAL A 21 9.363 -1.246 6.702 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.415 -0.035 5.779 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.744 -1.486 7.302 1.00 0.00 C ATOM 0 H VAL A 21 8.462 -3.123 8.214 1.00 0.00 H new ATOM 0 HA VAL A 21 8.581 -0.164 8.398 1.00 0.00 H new ATOM 0 HB VAL A 21 9.077 -2.132 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.166 -0.198 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.440 0.109 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.676 0.852 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.467 -1.638 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.038 -0.621 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.716 -2.371 7.938 1.00 0.00 H new ATOM 322 N SER A 22 6.613 0.393 6.804 1.00 0.00 N ATOM 323 CA SER A 22 5.319 0.625 6.108 1.00 0.00 C ATOM 324 C SER A 22 5.547 0.514 4.594 1.00 0.00 C ATOM 325 O SER A 22 6.520 1.013 4.069 1.00 0.00 O ATOM 326 CB SER A 22 4.798 2.027 6.443 1.00 0.00 C ATOM 327 OG SER A 22 5.316 2.959 5.503 1.00 0.00 O ATOM 0 H SER A 22 7.157 1.231 7.009 1.00 0.00 H new ATOM 0 HA SER A 22 4.587 -0.115 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.708 2.037 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.098 2.307 7.453 1.00 0.00 H new ATOM 0 HG SER A 22 4.983 3.856 5.714 1.00 0.00 H new ATOM 333 N LEU A 23 4.661 -0.130 3.888 1.00 0.00 N ATOM 334 CA LEU A 23 4.836 -0.261 2.408 1.00 0.00 C ATOM 335 C LEU A 23 5.203 1.107 1.832 1.00 0.00 C ATOM 336 O LEU A 23 6.024 1.220 0.944 1.00 0.00 O ATOM 337 CB LEU A 23 3.508 -0.733 1.790 1.00 0.00 C ATOM 338 CG LEU A 23 3.363 -2.277 1.822 1.00 0.00 C ATOM 339 CD1 LEU A 23 4.069 -2.898 0.624 1.00 0.00 C ATOM 340 CD2 LEU A 23 3.962 -2.881 3.104 1.00 0.00 C ATOM 0 H LEU A 23 3.824 -0.572 4.267 1.00 0.00 H new ATOM 0 HA LEU A 23 5.624 -0.980 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.677 -0.280 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.445 -0.385 0.759 1.00 0.00 H new ATOM 0 HG LEU A 23 2.296 -2.497 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.959 -3.982 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.626 -2.518 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.128 -2.639 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.840 -3.964 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.023 -2.636 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.448 -2.471 3.974 1.00 0.00 H new ATOM 352 N MET A 24 4.601 2.139 2.336 1.00 0.00 N ATOM 353 CA MET A 24 4.908 3.496 1.828 1.00 0.00 C ATOM 354 C MET A 24 6.369 3.839 2.126 1.00 0.00 C ATOM 355 O MET A 24 7.053 4.432 1.318 1.00 0.00 O ATOM 356 CB MET A 24 3.992 4.501 2.524 1.00 0.00 C ATOM 357 CG MET A 24 4.171 5.899 1.905 1.00 0.00 C ATOM 358 SD MET A 24 5.743 6.639 2.435 1.00 0.00 S ATOM 359 CE MET A 24 5.114 7.581 3.837 1.00 0.00 C ATOM 0 H MET A 24 3.906 2.101 3.082 1.00 0.00 H new ATOM 0 HA MET A 24 4.747 3.533 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.953 4.184 2.430 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.220 4.535 3.589 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.146 5.827 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.342 6.542 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.891 8.253 4.201 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.247 8.163 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.823 6.897 4.634 1.00 0.00 H new ATOM 369 N GLN A 25 6.849 3.492 3.296 1.00 0.00 N ATOM 370 CA GLN A 25 8.260 3.828 3.644 1.00 0.00 C ATOM 371 C GLN A 25 9.203 3.259 2.578 1.00 0.00 C ATOM 372 O GLN A 25 9.977 3.980 1.982 1.00 0.00 O ATOM 373 CB GLN A 25 8.609 3.243 5.024 1.00 0.00 C ATOM 374 CG GLN A 25 8.133 4.187 6.132 1.00 0.00 C ATOM 375 CD GLN A 25 8.318 3.511 7.492 1.00 0.00 C ATOM 376 OE1 GLN A 25 9.359 2.947 7.768 1.00 0.00 O ATOM 377 NE2 GLN A 25 7.345 3.546 8.359 1.00 0.00 N ATOM 0 H GLN A 25 6.327 2.995 4.018 1.00 0.00 H new ATOM 0 HA GLN A 25 8.375 4.911 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.141 2.266 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.686 3.092 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.697 5.119 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.084 4.443 5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.472 4.019 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.457 3.100 9.269 1.00 0.00 H new ATOM 386 N ALA A 26 9.157 1.978 2.336 1.00 0.00 N ATOM 387 CA ALA A 26 10.069 1.401 1.303 1.00 0.00 C ATOM 388 C ALA A 26 9.715 1.918 -0.095 1.00 0.00 C ATOM 389 O ALA A 26 10.558 1.969 -0.966 1.00 0.00 O ATOM 390 CB ALA A 26 9.953 -0.118 1.318 1.00 0.00 C ATOM 0 H ALA A 26 8.538 1.313 2.800 1.00 0.00 H new ATOM 0 HA ALA A 26 11.089 1.705 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.618 -0.541 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.233 -0.495 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.925 -0.407 1.098 1.00 0.00 H new ATOM 396 N ALA A 27 8.487 2.298 -0.331 1.00 0.00 N ATOM 397 CA ALA A 27 8.118 2.801 -1.682 1.00 0.00 C ATOM 398 C ALA A 27 8.831 4.129 -1.968 1.00 0.00 C ATOM 399 O ALA A 27 9.383 4.331 -3.025 1.00 0.00 O ATOM 400 CB ALA A 27 6.606 3.012 -1.748 1.00 0.00 C ATOM 0 H ALA A 27 7.729 2.281 0.351 1.00 0.00 H new ATOM 0 HA ALA A 27 8.423 2.068 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.333 3.381 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.098 2.066 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.307 3.740 -0.994 1.00 0.00 H new ATOM 406 N VAL A 28 8.821 5.039 -1.027 1.00 0.00 N ATOM 407 CA VAL A 28 9.492 6.354 -1.245 1.00 0.00 C ATOM 408 C VAL A 28 11.007 6.153 -1.351 1.00 0.00 C ATOM 409 O VAL A 28 11.718 6.982 -1.883 1.00 0.00 O ATOM 410 CB VAL A 28 9.179 7.289 -0.076 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.017 8.566 -0.185 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.693 7.657 -0.100 1.00 0.00 C ATOM 0 H VAL A 28 8.376 4.927 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 28 9.124 6.795 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 28 9.419 6.781 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.787 9.225 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.076 8.309 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.786 9.074 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.470 8.323 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.457 8.158 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.092 6.752 -0.011 1.00 0.00 H new ATOM 422 N SER A 29 11.507 5.067 -0.836 1.00 0.00 N ATOM 423 CA SER A 29 12.977 4.808 -0.882 1.00 0.00 C ATOM 424 C SER A 29 13.325 4.156 -2.213 1.00 0.00 C ATOM 425 O SER A 29 14.459 4.171 -2.656 1.00 0.00 O ATOM 426 CB SER A 29 13.333 3.857 0.255 1.00 0.00 C ATOM 427 OG SER A 29 14.069 2.741 -0.231 1.00 0.00 O ATOM 0 H SER A 29 10.957 4.339 -0.380 1.00 0.00 H new ATOM 0 HA SER A 29 13.531 5.741 -0.778 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.919 4.385 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.423 3.512 0.745 1.00 0.00 H new ATOM 0 HG SER A 29 14.289 2.144 0.515 1.00 0.00 H new ATOM 433 N ASN A 30 12.345 3.603 -2.876 1.00 0.00 N ATOM 434 CA ASN A 30 12.575 2.970 -4.192 1.00 0.00 C ATOM 435 C ASN A 30 12.032 3.904 -5.258 1.00 0.00 C ATOM 436 O ASN A 30 11.825 3.511 -6.392 1.00 0.00 O ATOM 437 CB ASN A 30 11.821 1.648 -4.239 1.00 0.00 C ATOM 438 CG ASN A 30 12.522 0.626 -3.348 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.028 -0.371 -3.823 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.573 0.831 -2.060 1.00 0.00 N ATOM 0 H ASN A 30 11.380 3.566 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 30 13.636 2.785 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.793 1.792 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.775 1.281 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.037 0.155 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.149 1.668 -1.660 1.00 0.00 H new ATOM 447 N GLY A 31 11.848 5.159 -4.936 1.00 0.00 N ATOM 448 CA GLY A 31 11.361 6.126 -5.965 1.00 0.00 C ATOM 449 C GLY A 31 9.997 5.692 -6.505 1.00 0.00 C ATOM 450 O GLY A 31 9.786 5.671 -7.701 1.00 0.00 O ATOM 0 H GLY A 31 12.013 5.554 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.286 7.122 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.079 6.189 -6.783 1.00 0.00 H new ATOM 454 N ILE A 32 9.076 5.319 -5.652 1.00 0.00 N ATOM 455 CA ILE A 32 7.728 4.855 -6.127 1.00 0.00 C ATOM 456 C ILE A 32 6.607 5.730 -5.561 1.00 0.00 C ATOM 457 O ILE A 32 5.666 6.055 -6.264 1.00 0.00 O ATOM 458 CB ILE A 32 7.549 3.403 -5.670 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.631 2.561 -6.341 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.172 2.853 -6.061 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.653 1.160 -5.741 1.00 0.00 C ATOM 0 H ILE A 32 9.197 5.315 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 32 7.675 4.929 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 32 7.628 3.362 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.444 2.503 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.604 3.035 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.082 1.822 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.393 3.458 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.060 2.888 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.429 0.568 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.862 1.225 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.684 0.684 -5.893 1.00 0.00 H new ATOM 473 N TYR A 33 6.686 6.112 -4.314 1.00 0.00 N ATOM 474 CA TYR A 33 5.609 6.965 -3.711 1.00 0.00 C ATOM 475 C TYR A 33 6.028 8.446 -3.666 1.00 0.00 C ATOM 476 O TYR A 33 5.291 9.272 -3.165 1.00 0.00 O ATOM 477 CB TYR A 33 5.311 6.454 -2.273 1.00 0.00 C ATOM 478 CG TYR A 33 3.918 5.847 -2.201 1.00 0.00 C ATOM 479 CD1 TYR A 33 3.607 4.720 -2.973 1.00 0.00 C ATOM 480 CD2 TYR A 33 2.945 6.412 -1.372 1.00 0.00 C ATOM 481 CE1 TYR A 33 2.325 4.160 -2.909 1.00 0.00 C ATOM 482 CE2 TYR A 33 1.664 5.852 -1.307 1.00 0.00 C ATOM 483 CZ TYR A 33 1.354 4.725 -2.080 1.00 0.00 C ATOM 484 OH TYR A 33 0.091 4.173 -2.015 1.00 0.00 O ATOM 0 H TYR A 33 7.450 5.872 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 33 4.715 6.893 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.054 5.710 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.392 7.278 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.356 4.283 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.182 7.283 -0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.087 3.289 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.915 6.288 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.483 4.589 -2.692 1.00 0.00 H new ATOM 494 N ASP A 34 7.184 8.814 -4.160 1.00 0.00 N ATOM 495 CA ASP A 34 7.575 10.253 -4.086 1.00 0.00 C ATOM 496 C ASP A 34 6.710 11.073 -5.047 1.00 0.00 C ATOM 497 O ASP A 34 5.985 11.952 -4.625 1.00 0.00 O ATOM 498 CB ASP A 34 9.049 10.399 -4.477 1.00 0.00 C ATOM 499 CG ASP A 34 9.333 9.544 -5.713 1.00 0.00 C ATOM 500 OD1 ASP A 34 9.041 8.360 -5.676 1.00 0.00 O ATOM 501 OD2 ASP A 34 9.837 10.087 -6.688 1.00 0.00 O ATOM 0 H ASP A 34 7.861 8.193 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 34 7.427 10.616 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.280 11.444 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.688 10.088 -3.651 1.00 0.00 H new ATOM 506 N ILE A 35 6.826 10.799 -6.325 1.00 0.00 N ATOM 507 CA ILE A 35 6.054 11.548 -7.377 1.00 0.00 C ATOM 508 C ILE A 35 4.750 12.134 -6.810 1.00 0.00 C ATOM 509 O ILE A 35 4.367 13.239 -7.133 1.00 0.00 O ATOM 510 CB ILE A 35 5.730 10.592 -8.529 1.00 0.00 C ATOM 511 CG1 ILE A 35 5.144 11.380 -9.708 1.00 0.00 C ATOM 512 CG2 ILE A 35 4.719 9.543 -8.061 1.00 0.00 C ATOM 513 CD1 ILE A 35 4.949 10.447 -10.904 1.00 0.00 C ATOM 0 H ILE A 35 7.437 10.071 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 35 6.666 12.378 -7.731 1.00 0.00 H new ATOM 0 HB ILE A 35 6.646 10.094 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.191 11.826 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.811 12.199 -9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.491 8.865 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.140 8.977 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.804 10.039 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.533 11.009 -11.740 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.910 10.023 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.265 9.643 -10.631 1.00 0.00 H new ATOM 525 N VAL A 36 4.082 11.411 -5.941 1.00 0.00 N ATOM 526 CA VAL A 36 2.819 11.932 -5.327 1.00 0.00 C ATOM 527 C VAL A 36 2.817 11.576 -3.832 1.00 0.00 C ATOM 528 O VAL A 36 2.874 10.420 -3.460 1.00 0.00 O ATOM 529 CB VAL A 36 1.605 11.298 -6.028 1.00 0.00 C ATOM 530 CG1 VAL A 36 0.333 11.593 -5.232 1.00 0.00 C ATOM 531 CG2 VAL A 36 1.456 11.888 -7.430 1.00 0.00 C ATOM 0 H VAL A 36 4.359 10.480 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 36 2.761 13.014 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 36 1.757 10.221 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.523 11.141 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.427 11.177 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.187 12.671 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.596 11.438 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.310 12.966 -7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.356 11.682 -8.009 1.00 0.00 H new ATOM 541 N GLY A 37 2.764 12.565 -2.966 1.00 0.00 N ATOM 542 CA GLY A 37 2.770 12.291 -1.489 1.00 0.00 C ATOM 543 C GLY A 37 2.042 13.424 -0.760 1.00 0.00 C ATOM 544 O GLY A 37 2.588 14.490 -0.545 1.00 0.00 O ATOM 0 H GLY A 37 2.717 13.552 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.283 11.338 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.795 12.210 -1.127 1.00 0.00 H new ATOM 548 N ASP A 38 0.809 13.210 -0.373 1.00 0.00 N ATOM 549 CA ASP A 38 0.043 14.283 0.317 1.00 0.00 C ATOM 550 C ASP A 38 0.500 14.443 1.778 1.00 0.00 C ATOM 551 O ASP A 38 1.176 15.392 2.118 1.00 0.00 O ATOM 552 CB ASP A 38 -1.450 13.945 0.292 1.00 0.00 C ATOM 553 CG ASP A 38 -2.004 14.180 -1.116 1.00 0.00 C ATOM 554 OD1 ASP A 38 -1.267 14.689 -1.943 1.00 0.00 O ATOM 555 OD2 ASP A 38 -3.155 13.846 -1.339 1.00 0.00 O ATOM 0 H ASP A 38 0.302 12.335 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 38 0.226 15.221 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.603 12.907 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.986 14.563 1.013 1.00 0.00 H new ATOM 560 N CYS A 39 0.111 13.545 2.653 1.00 0.00 N ATOM 561 CA CYS A 39 0.504 13.689 4.093 1.00 0.00 C ATOM 562 C CYS A 39 1.873 13.056 4.358 1.00 0.00 C ATOM 563 O CYS A 39 2.396 13.135 5.455 1.00 0.00 O ATOM 564 CB CYS A 39 -0.553 13.032 4.999 1.00 0.00 C ATOM 565 SG CYS A 39 -0.326 11.232 5.051 1.00 0.00 S ATOM 0 H CYS A 39 -0.456 12.726 2.436 1.00 0.00 H new ATOM 0 HA CYS A 39 0.566 14.754 4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.481 13.442 6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.552 13.267 4.630 1.00 0.00 H new ATOM 570 N GLY A 40 2.462 12.436 3.377 1.00 0.00 N ATOM 571 CA GLY A 40 3.798 11.814 3.602 1.00 0.00 C ATOM 572 C GLY A 40 3.645 10.569 4.477 1.00 0.00 C ATOM 573 O GLY A 40 4.611 10.029 4.983 1.00 0.00 O ATOM 0 H GLY A 40 2.082 12.332 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.251 11.546 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.466 12.528 4.083 1.00 0.00 H new ATOM 577 N GLY A 41 2.437 10.103 4.659 1.00 0.00 N ATOM 578 CA GLY A 41 2.211 8.881 5.491 1.00 0.00 C ATOM 579 C GLY A 41 1.888 9.261 6.940 1.00 0.00 C ATOM 580 O GLY A 41 2.086 8.481 7.846 1.00 0.00 O ATOM 0 H GLY A 41 1.592 10.518 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.391 8.297 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.099 8.249 5.465 1.00 0.00 H new ATOM 584 N SER A 42 1.384 10.442 7.162 1.00 0.00 N ATOM 585 CA SER A 42 1.040 10.850 8.553 1.00 0.00 C ATOM 586 C SER A 42 -0.406 10.441 8.844 1.00 0.00 C ATOM 587 O SER A 42 -1.047 10.958 9.734 1.00 0.00 O ATOM 588 CB SER A 42 1.180 12.367 8.689 1.00 0.00 C ATOM 589 OG SER A 42 1.166 12.717 10.072 1.00 0.00 O ATOM 0 H SER A 42 1.196 11.141 6.443 1.00 0.00 H new ATOM 0 HA SER A 42 1.712 10.363 9.260 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.108 12.702 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.365 12.868 8.167 1.00 0.00 H new ATOM 0 HG SER A 42 0.416 12.268 10.515 1.00 0.00 H new ATOM 595 N ALA A 43 -0.920 9.507 8.081 1.00 0.00 N ATOM 596 CA ALA A 43 -2.321 9.046 8.297 1.00 0.00 C ATOM 597 C ALA A 43 -3.268 10.247 8.294 1.00 0.00 C ATOM 598 O ALA A 43 -3.968 10.499 9.254 1.00 0.00 O ATOM 599 CB ALA A 43 -2.417 8.328 9.646 1.00 0.00 C ATOM 0 H ALA A 43 -0.426 9.045 7.317 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.603 8.363 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.441 7.990 9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.746 7.469 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.132 9.014 10.444 1.00 0.00 H new ATOM 605 N SER A 44 -3.296 10.995 7.223 1.00 0.00 N ATOM 606 CA SER A 44 -4.201 12.182 7.161 1.00 0.00 C ATOM 607 C SER A 44 -4.637 12.443 5.713 1.00 0.00 C ATOM 608 O SER A 44 -4.948 13.558 5.350 1.00 0.00 O ATOM 609 CB SER A 44 -3.459 13.406 7.702 1.00 0.00 C ATOM 610 OG SER A 44 -4.402 14.413 8.046 1.00 0.00 O ATOM 0 H SER A 44 -2.732 10.836 6.388 1.00 0.00 H new ATOM 0 HA SER A 44 -5.088 11.989 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.869 13.131 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.763 13.784 6.953 1.00 0.00 H new ATOM 0 HG SER A 44 -4.962 14.617 7.268 1.00 0.00 H new ATOM 616 N CYS A 45 -4.666 11.431 4.885 1.00 0.00 N ATOM 617 CA CYS A 45 -5.087 11.653 3.476 1.00 0.00 C ATOM 618 C CYS A 45 -5.488 10.325 2.828 1.00 0.00 C ATOM 619 O CYS A 45 -5.682 9.327 3.491 1.00 0.00 O ATOM 620 CB CYS A 45 -3.934 12.291 2.683 1.00 0.00 C ATOM 621 SG CYS A 45 -2.770 11.018 2.109 1.00 0.00 S ATOM 0 H CYS A 45 -4.418 10.471 5.123 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.946 12.324 3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.332 12.839 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.411 13.014 3.309 1.00 0.00 H new ATOM 626 N ALA A 46 -5.612 10.318 1.517 1.00 0.00 N ATOM 627 CA ALA A 46 -5.998 9.072 0.781 1.00 0.00 C ATOM 628 C ALA A 46 -4.998 8.828 -0.345 1.00 0.00 C ATOM 629 O ALA A 46 -5.157 7.920 -1.137 1.00 0.00 O ATOM 630 CB ALA A 46 -7.410 9.256 0.206 1.00 0.00 C ATOM 0 H ALA A 46 -5.460 11.133 0.923 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.991 8.214 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.704 8.355 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.113 9.438 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.417 10.106 -0.477 1.00 0.00 H new ATOM 636 N THR A 47 -3.973 9.629 -0.434 1.00 0.00 N ATOM 637 CA THR A 47 -2.967 9.441 -1.518 1.00 0.00 C ATOM 638 C THR A 47 -2.462 7.994 -1.496 1.00 0.00 C ATOM 639 O THR A 47 -1.910 7.502 -2.453 1.00 0.00 O ATOM 640 CB THR A 47 -1.802 10.421 -1.289 1.00 0.00 C ATOM 641 OG1 THR A 47 -2.143 11.682 -1.847 1.00 0.00 O ATOM 642 CG2 THR A 47 -0.519 9.912 -1.955 1.00 0.00 C ATOM 0 H THR A 47 -3.788 10.408 0.198 1.00 0.00 H new ATOM 0 HA THR A 47 -3.417 9.639 -2.491 1.00 0.00 H new ATOM 0 HB THR A 47 -1.627 10.510 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.895 12.067 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.289 10.622 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.250 8.944 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.683 9.808 -3.028 1.00 0.00 H new ATOM 650 N CYS A 48 -2.634 7.316 -0.394 1.00 0.00 N ATOM 651 CA CYS A 48 -2.155 5.906 -0.300 1.00 0.00 C ATOM 652 C CYS A 48 -3.294 4.938 -0.644 1.00 0.00 C ATOM 653 O CYS A 48 -3.397 3.861 -0.091 1.00 0.00 O ATOM 654 CB CYS A 48 -1.658 5.657 1.119 1.00 0.00 C ATOM 655 SG CYS A 48 -2.841 6.347 2.297 1.00 0.00 S ATOM 0 H CYS A 48 -3.086 7.677 0.446 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.343 5.740 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.537 4.588 1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.679 6.115 1.259 1.00 0.00 H new ATOM 660 N HIS A 49 -4.137 5.314 -1.561 1.00 0.00 N ATOM 661 CA HIS A 49 -5.267 4.427 -1.980 1.00 0.00 C ATOM 662 C HIS A 49 -4.714 3.326 -2.885 1.00 0.00 C ATOM 663 O HIS A 49 -4.344 3.580 -4.014 1.00 0.00 O ATOM 664 CB HIS A 49 -6.281 5.292 -2.742 1.00 0.00 C ATOM 665 CG HIS A 49 -7.304 4.459 -3.485 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.183 3.582 -2.858 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.617 4.396 -4.828 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.971 3.036 -3.820 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.660 3.501 -5.022 1.00 0.00 N ATOM 0 H HIS A 49 -4.095 6.209 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.752 3.964 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.793 5.951 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.752 5.930 -3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.125 4.957 -5.609 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.752 2.315 -3.630 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.098 3.252 -5.909 1.00 0.00 H new ATOM 678 N VAL A 50 -4.643 2.106 -2.411 1.00 0.00 N ATOM 679 CA VAL A 50 -4.109 0.995 -3.263 1.00 0.00 C ATOM 680 C VAL A 50 -4.925 -0.264 -2.987 1.00 0.00 C ATOM 681 O VAL A 50 -5.748 -0.287 -2.095 1.00 0.00 O ATOM 682 CB VAL A 50 -2.611 0.756 -2.964 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.949 2.090 -2.607 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.429 -0.234 -1.800 1.00 0.00 C ATOM 0 H VAL A 50 -4.931 1.831 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.196 1.261 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.144 0.330 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.892 1.927 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.049 2.781 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.434 2.513 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.366 -0.383 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.903 0.167 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.889 -1.188 -2.058 1.00 0.00 H new ATOM 694 N TYR A 51 -4.716 -1.306 -3.752 1.00 0.00 N ATOM 695 CA TYR A 51 -5.484 -2.560 -3.552 1.00 0.00 C ATOM 696 C TYR A 51 -4.515 -3.698 -3.192 1.00 0.00 C ATOM 697 O TYR A 51 -3.672 -4.104 -3.962 1.00 0.00 O ATOM 698 CB TYR A 51 -6.226 -2.840 -4.852 1.00 0.00 C ATOM 699 CG TYR A 51 -7.226 -1.724 -5.108 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.236 -1.424 -4.166 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.111 -0.945 -6.265 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.109 -0.359 -4.397 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.995 0.104 -6.500 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.988 0.400 -5.570 1.00 0.00 C ATOM 705 OH TYR A 51 -9.827 1.459 -5.806 1.00 0.00 O ATOM 0 H TYR A 51 -4.038 -1.336 -4.513 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.200 -2.474 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.520 -2.909 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.741 -3.799 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.332 -2.018 -3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.331 -1.159 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.875 -0.120 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.911 0.689 -7.404 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.686 1.301 -5.361 1.00 0.00 H new ATOM 715 N VAL A 52 -4.651 -4.189 -1.990 1.00 0.00 N ATOM 716 CA VAL A 52 -3.772 -5.291 -1.494 1.00 0.00 C ATOM 717 C VAL A 52 -4.436 -6.631 -1.777 1.00 0.00 C ATOM 718 O VAL A 52 -5.600 -6.828 -1.499 1.00 0.00 O ATOM 719 CB VAL A 52 -3.553 -5.169 0.015 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.438 -6.123 0.450 1.00 0.00 C ATOM 721 CG2 VAL A 52 -3.152 -3.737 0.381 1.00 0.00 C ATOM 0 H VAL A 52 -5.347 -3.868 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.812 -5.222 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.483 -5.424 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.283 -6.035 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.720 -7.147 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.516 -5.867 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.000 -3.666 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.228 -3.475 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.943 -3.050 0.080 1.00 0.00 H new ATOM 731 N ASN A 53 -3.706 -7.568 -2.319 1.00 0.00 N ATOM 732 CA ASN A 53 -4.317 -8.895 -2.586 1.00 0.00 C ATOM 733 C ASN A 53 -5.001 -9.377 -1.308 1.00 0.00 C ATOM 734 O ASN A 53 -4.372 -9.540 -0.282 1.00 0.00 O ATOM 735 CB ASN A 53 -3.226 -9.875 -3.023 1.00 0.00 C ATOM 736 CG ASN A 53 -3.743 -11.314 -2.990 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.901 -11.559 -2.714 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.920 -12.286 -3.278 1.00 0.00 N ATOM 0 H ASN A 53 -2.726 -7.472 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.056 -8.827 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.891 -9.627 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.361 -9.780 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.249 -13.252 -3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.948 -12.080 -3.510 1.00 0.00 H new ATOM 745 N GLU A 54 -6.294 -9.548 -1.346 1.00 0.00 N ATOM 746 CA GLU A 54 -7.055 -9.973 -0.130 1.00 0.00 C ATOM 747 C GLU A 54 -6.393 -11.168 0.567 1.00 0.00 C ATOM 748 O GLU A 54 -6.872 -11.631 1.583 1.00 0.00 O ATOM 749 CB GLU A 54 -8.479 -10.361 -0.543 1.00 0.00 C ATOM 750 CG GLU A 54 -8.441 -11.535 -1.529 1.00 0.00 C ATOM 751 CD GLU A 54 -8.262 -12.856 -0.775 1.00 0.00 C ATOM 752 OE1 GLU A 54 -8.829 -12.984 0.296 1.00 0.00 O ATOM 753 OE2 GLU A 54 -7.560 -13.715 -1.284 1.00 0.00 O ATOM 0 H GLU A 54 -6.866 -9.410 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.067 -9.138 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.060 -10.635 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.978 -9.507 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.363 -11.562 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.623 -11.398 -2.237 1.00 0.00 H new ATOM 760 N ALA A 55 -5.314 -11.685 0.047 1.00 0.00 N ATOM 761 CA ALA A 55 -4.660 -12.855 0.703 1.00 0.00 C ATOM 762 C ALA A 55 -3.667 -12.398 1.778 1.00 0.00 C ATOM 763 O ALA A 55 -3.210 -13.197 2.576 1.00 0.00 O ATOM 764 CB ALA A 55 -3.916 -13.673 -0.352 1.00 0.00 C ATOM 0 H ALA A 55 -4.857 -11.350 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.432 -13.461 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.437 -14.529 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.622 -14.024 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.158 -13.050 -0.827 1.00 0.00 H new ATOM 770 N PHE A 56 -3.310 -11.135 1.828 1.00 0.00 N ATOM 771 CA PHE A 56 -2.339 -10.636 2.847 1.00 0.00 C ATOM 772 C PHE A 56 -3.054 -9.609 3.731 1.00 0.00 C ATOM 773 O PHE A 56 -2.540 -9.160 4.731 1.00 0.00 O ATOM 774 CB PHE A 56 -1.204 -9.949 2.082 1.00 0.00 C ATOM 775 CG PHE A 56 -0.421 -10.988 1.311 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.978 -11.573 0.165 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.850 -11.377 1.737 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.265 -12.550 -0.530 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.562 -12.347 1.040 1.00 0.00 C ATOM 780 CZ PHE A 56 1.005 -12.939 -0.095 1.00 0.00 C ATOM 0 H PHE A 56 -3.659 -10.418 1.192 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.952 -11.443 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.610 -9.202 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.548 -9.424 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.956 -11.268 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.284 -10.921 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.696 -13.008 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.545 -12.642 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.554 -13.696 -0.636 1.00 0.00 H new ATOM 790 N THR A 57 -4.243 -9.238 3.343 1.00 0.00 N ATOM 791 CA THR A 57 -5.029 -8.230 4.117 1.00 0.00 C ATOM 792 C THR A 57 -5.504 -8.829 5.437 1.00 0.00 C ATOM 793 O THR A 57 -5.514 -8.173 6.462 1.00 0.00 O ATOM 794 CB THR A 57 -6.259 -7.814 3.320 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.942 -8.974 2.872 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.833 -6.969 2.122 1.00 0.00 C ATOM 0 H THR A 57 -4.712 -9.595 2.510 1.00 0.00 H new ATOM 0 HA THR A 57 -4.387 -7.370 4.307 1.00 0.00 H new ATOM 0 HB THR A 57 -6.922 -7.225 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.868 -8.743 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.715 -6.673 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.311 -6.078 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.169 -7.552 1.484 1.00 0.00 H new ATOM 804 N ASP A 58 -5.908 -10.070 5.426 1.00 0.00 N ATOM 805 CA ASP A 58 -6.392 -10.711 6.684 1.00 0.00 C ATOM 806 C ASP A 58 -5.197 -11.263 7.438 1.00 0.00 C ATOM 807 O ASP A 58 -5.319 -11.823 8.510 1.00 0.00 O ATOM 808 CB ASP A 58 -7.362 -11.843 6.329 1.00 0.00 C ATOM 809 CG ASP A 58 -6.706 -12.789 5.326 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.739 -12.384 4.707 1.00 0.00 O ATOM 811 OD2 ASP A 58 -7.187 -13.903 5.189 1.00 0.00 O ATOM 0 H ASP A 58 -5.924 -10.669 4.600 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.910 -9.983 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.643 -12.390 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.279 -11.430 5.908 1.00 0.00 H new ATOM 816 N LYS A 59 -4.036 -11.095 6.884 1.00 0.00 N ATOM 817 CA LYS A 59 -2.796 -11.584 7.536 1.00 0.00 C ATOM 818 C LYS A 59 -2.112 -10.396 8.219 1.00 0.00 C ATOM 819 O LYS A 59 -1.722 -10.451 9.367 1.00 0.00 O ATOM 820 CB LYS A 59 -1.872 -12.132 6.446 1.00 0.00 C ATOM 821 CG LYS A 59 -2.671 -12.970 5.438 1.00 0.00 C ATOM 822 CD LYS A 59 -3.382 -14.108 6.171 1.00 0.00 C ATOM 823 CE LYS A 59 -3.765 -15.220 5.186 1.00 0.00 C ATOM 824 NZ LYS A 59 -4.252 -16.406 5.947 1.00 0.00 N ATOM 0 H LYS A 59 -3.890 -10.630 5.988 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.019 -12.360 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.377 -11.308 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.090 -12.743 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.400 -12.343 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.005 -13.374 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.733 -14.510 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.276 -13.728 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.540 -14.867 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.904 -15.493 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.513 -17.162 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.500 -16.745 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.084 -16.139 6.511 1.00 0.00 H new ATOM 838 N VAL A 60 -1.969 -9.328 7.486 1.00 0.00 N ATOM 839 CA VAL A 60 -1.310 -8.102 8.025 1.00 0.00 C ATOM 840 C VAL A 60 -2.347 -7.373 8.913 1.00 0.00 C ATOM 841 O VAL A 60 -3.536 -7.551 8.747 1.00 0.00 O ATOM 842 CB VAL A 60 -0.818 -7.257 6.801 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.425 -5.837 6.777 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.741 -7.194 6.730 1.00 0.00 C ATOM 0 H VAL A 60 -2.286 -9.250 6.520 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.439 -8.309 8.646 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.177 -7.776 5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.050 -5.296 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.511 -5.907 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.143 -5.305 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.042 -6.599 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.128 -6.736 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.142 -8.203 6.633 1.00 0.00 H new ATOM 854 N PRO A 61 -1.906 -6.603 9.883 1.00 0.00 N ATOM 855 CA PRO A 61 -2.820 -5.898 10.829 1.00 0.00 C ATOM 856 C PRO A 61 -3.969 -5.145 10.134 1.00 0.00 C ATOM 857 O PRO A 61 -3.760 -4.215 9.384 1.00 0.00 O ATOM 858 CB PRO A 61 -1.909 -4.931 11.626 1.00 0.00 C ATOM 859 CG PRO A 61 -0.522 -5.065 11.045 1.00 0.00 C ATOM 860 CD PRO A 61 -0.497 -6.327 10.175 1.00 0.00 C ATOM 0 HA PRO A 61 -3.330 -6.617 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.266 -3.905 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.911 -5.183 12.686 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.271 -4.187 10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.220 -5.135 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.073 -6.166 9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.030 -7.161 10.699 1.00 0.00 H new ATOM 868 N ALA A 62 -5.180 -5.564 10.400 1.00 0.00 N ATOM 869 CA ALA A 62 -6.365 -4.933 9.796 1.00 0.00 C ATOM 870 C ALA A 62 -6.300 -3.424 9.955 1.00 0.00 C ATOM 871 O ALA A 62 -5.750 -2.889 10.894 1.00 0.00 O ATOM 872 CB ALA A 62 -7.625 -5.457 10.482 1.00 0.00 C ATOM 0 H ALA A 62 -5.389 -6.339 11.029 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.390 -5.177 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.503 -4.990 10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.685 -6.538 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.587 -5.217 11.545 1.00 0.00 H new ATOM 878 N ALA A 63 -6.865 -2.758 9.009 1.00 0.00 N ATOM 879 CA ALA A 63 -6.879 -1.266 9.014 1.00 0.00 C ATOM 880 C ALA A 63 -7.726 -0.732 10.182 1.00 0.00 C ATOM 881 O ALA A 63 -8.798 -1.226 10.469 1.00 0.00 O ATOM 882 CB ALA A 63 -7.459 -0.765 7.692 1.00 0.00 C ATOM 0 H ALA A 63 -7.332 -3.184 8.209 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.858 -0.905 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.472 0.325 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.844 -1.122 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.476 -1.140 7.575 1.00 0.00 H new ATOM 888 N ASN A 64 -7.220 0.259 10.867 1.00 0.00 N ATOM 889 CA ASN A 64 -7.955 0.822 12.037 1.00 0.00 C ATOM 890 C ASN A 64 -9.136 1.685 11.576 1.00 0.00 C ATOM 891 O ASN A 64 -9.267 2.019 10.409 1.00 0.00 O ATOM 892 CB ASN A 64 -6.999 1.667 12.896 1.00 0.00 C ATOM 893 CG ASN A 64 -6.002 2.385 11.981 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.244 1.754 11.273 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.972 3.689 11.976 1.00 0.00 N ATOM 0 H ASN A 64 -6.325 0.705 10.665 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.343 -0.006 12.630 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.563 2.394 13.481 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.468 1.031 13.604 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.310 4.182 11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.610 4.216 12.572 1.00 0.00 H new ATOM 902 N GLU A 65 -10.009 2.009 12.492 1.00 0.00 N ATOM 903 CA GLU A 65 -11.225 2.813 12.151 1.00 0.00 C ATOM 904 C GLU A 65 -10.858 4.190 11.599 1.00 0.00 C ATOM 905 O GLU A 65 -11.678 4.843 10.988 1.00 0.00 O ATOM 906 CB GLU A 65 -12.081 2.987 13.408 1.00 0.00 C ATOM 907 CG GLU A 65 -11.283 3.741 14.476 1.00 0.00 C ATOM 908 CD GLU A 65 -12.057 3.735 15.795 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.276 3.747 15.741 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.418 3.721 16.836 1.00 0.00 O ATOM 0 H GLU A 65 -9.933 1.749 13.475 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.778 2.277 11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.992 3.535 13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.387 2.013 13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.308 3.274 14.613 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.103 4.766 14.153 1.00 0.00 H new ATOM 917 N ARG A 66 -9.653 4.647 11.774 1.00 0.00 N ATOM 918 CA ARG A 66 -9.303 5.975 11.219 1.00 0.00 C ATOM 919 C ARG A 66 -9.105 5.826 9.710 1.00 0.00 C ATOM 920 O ARG A 66 -9.433 6.703 8.944 1.00 0.00 O ATOM 921 CB ARG A 66 -8.021 6.488 11.878 1.00 0.00 C ATOM 922 CG ARG A 66 -8.261 6.670 13.385 1.00 0.00 C ATOM 923 CD ARG A 66 -7.215 7.625 14.005 1.00 0.00 C ATOM 924 NE ARG A 66 -6.600 6.955 15.190 1.00 0.00 N ATOM 925 CZ ARG A 66 -6.184 7.652 16.217 1.00 0.00 C ATOM 926 NH1 ARG A 66 -6.289 8.956 16.232 1.00 0.00 N ATOM 927 NH2 ARG A 66 -5.650 7.038 17.237 1.00 0.00 N ATOM 0 H ARG A 66 -8.905 4.164 12.271 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.099 6.693 11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.206 5.784 11.711 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.722 7.435 11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.263 7.066 13.551 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.214 5.702 13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.448 7.874 13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.687 8.561 14.303 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.503 5.940 15.199 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.700 9.444 15.436 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.960 9.485 17.040 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.559 6.022 17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.323 7.574 18.041 1.00 0.00 H new ATOM 941 N GLU A 67 -8.577 4.712 9.288 1.00 0.00 N ATOM 942 CA GLU A 67 -8.358 4.489 7.831 1.00 0.00 C ATOM 943 C GLU A 67 -9.704 4.318 7.127 1.00 0.00 C ATOM 944 O GLU A 67 -9.910 4.809 6.035 1.00 0.00 O ATOM 945 CB GLU A 67 -7.528 3.220 7.642 1.00 0.00 C ATOM 946 CG GLU A 67 -6.278 3.302 8.518 1.00 0.00 C ATOM 947 CD GLU A 67 -5.307 2.185 8.129 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.385 1.723 7.007 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.500 1.812 8.966 1.00 0.00 O ATOM 0 H GLU A 67 -8.286 3.943 9.891 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.835 5.345 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.117 2.343 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.246 3.108 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.799 4.273 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.551 3.211 9.569 1.00 0.00 H new ATOM 956 N ILE A 68 -10.622 3.625 7.743 1.00 0.00 N ATOM 957 CA ILE A 68 -11.951 3.425 7.104 1.00 0.00 C ATOM 958 C ILE A 68 -12.557 4.790 6.784 1.00 0.00 C ATOM 959 O ILE A 68 -13.289 4.946 5.828 1.00 0.00 O ATOM 960 CB ILE A 68 -12.879 2.655 8.046 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.186 1.362 8.487 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.183 2.308 7.319 1.00 0.00 C ATOM 963 CD1 ILE A 68 -13.105 0.580 9.425 1.00 0.00 C ATOM 0 H ILE A 68 -10.509 3.190 8.659 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.830 2.849 6.187 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.105 3.271 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.938 0.755 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.248 1.594 8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.841 1.760 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.676 3.226 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.961 1.691 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.609 -0.339 9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.331 1.186 10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -14.031 0.334 8.906 1.00 0.00 H new ATOM 975 N GLY A 69 -12.258 5.779 7.578 1.00 0.00 N ATOM 976 CA GLY A 69 -12.820 7.139 7.328 1.00 0.00 C ATOM 977 C GLY A 69 -12.049 7.839 6.204 1.00 0.00 C ATOM 978 O GLY A 69 -12.620 8.579 5.428 1.00 0.00 O ATOM 0 H GLY A 69 -11.647 5.706 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.874 7.060 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.767 7.734 8.239 1.00 0.00 H new ATOM 982 N MET A 70 -10.769 7.598 6.080 1.00 0.00 N ATOM 983 CA MET A 70 -9.999 8.240 4.972 1.00 0.00 C ATOM 984 C MET A 70 -10.236 7.418 3.702 1.00 0.00 C ATOM 985 O MET A 70 -10.268 7.937 2.601 1.00 0.00 O ATOM 986 CB MET A 70 -8.494 8.251 5.307 1.00 0.00 C ATOM 987 CG MET A 70 -8.143 9.441 6.220 1.00 0.00 C ATOM 988 SD MET A 70 -8.523 9.026 7.933 1.00 0.00 S ATOM 989 CE MET A 70 -6.971 8.171 8.316 1.00 0.00 C ATOM 0 H MET A 70 -10.227 6.989 6.693 1.00 0.00 H new ATOM 0 HA MET A 70 -10.328 9.270 4.833 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.220 7.317 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.913 8.310 4.387 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.086 9.688 6.121 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.706 10.323 5.916 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.040 7.717 9.304 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.790 7.395 7.572 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.149 8.886 8.302 1.00 0.00 H new ATOM 999 N LEU A 71 -10.413 6.134 3.857 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.662 5.260 2.682 1.00 0.00 C ATOM 1001 C LEU A 71 -11.971 5.687 2.017 1.00 0.00 C ATOM 1002 O LEU A 71 -12.136 5.563 0.832 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.741 3.797 3.146 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.323 3.191 3.238 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.353 1.952 4.137 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.817 2.786 1.838 1.00 0.00 C ATOM 0 H LEU A 71 -10.395 5.652 4.756 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.850 5.352 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.232 3.742 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.347 3.219 2.449 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.651 3.940 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.352 1.525 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.692 2.234 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.036 1.214 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.817 2.361 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.491 2.045 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.785 3.665 1.194 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.898 6.209 2.769 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.178 6.664 2.163 1.00 0.00 C ATOM 1020 C GLU A 72 -13.919 8.004 1.463 1.00 0.00 C ATOM 1021 O GLU A 72 -14.783 8.577 0.825 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.222 6.832 3.283 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.429 7.641 2.787 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.891 7.111 1.428 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.868 5.905 1.243 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.261 7.920 0.591 1.00 0.00 O ATOM 0 H GLU A 72 -12.824 6.340 3.778 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.553 5.941 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.552 5.852 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.768 7.334 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.243 7.574 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.162 8.695 2.704 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.719 8.506 1.603 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.351 9.823 0.985 1.00 0.00 C ATOM 1035 C CYS A 73 -11.457 9.627 -0.251 1.00 0.00 C ATOM 1036 O CYS A 73 -10.827 10.562 -0.706 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.604 10.660 2.060 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.441 12.253 2.304 1.00 0.00 S ATOM 0 H CYS A 73 -11.967 8.056 2.125 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.253 10.338 0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.570 10.111 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.572 10.826 1.750 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.808 12.942 3.207 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.361 8.439 -0.790 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.472 8.226 -1.978 1.00 0.00 C ATOM 1046 C VAL A 74 -11.119 8.723 -3.278 1.00 0.00 C ATOM 1047 O VAL A 74 -12.312 8.946 -3.351 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.197 6.726 -2.114 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.545 6.223 -0.824 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.520 5.950 -2.368 1.00 0.00 C ATOM 0 H VAL A 74 -11.856 7.609 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.553 8.791 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.531 6.559 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.345 5.155 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.609 6.756 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.217 6.400 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.305 4.886 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.202 6.110 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.982 6.310 -3.288 1.00 0.00 H new ATOM 1060 N THR A 75 -10.327 8.892 -4.311 1.00 0.00 N ATOM 1061 CA THR A 75 -10.868 9.369 -5.619 1.00 0.00 C ATOM 1062 C THR A 75 -11.331 8.188 -6.485 1.00 0.00 C ATOM 1063 O THR A 75 -12.229 8.339 -7.289 1.00 0.00 O ATOM 1064 CB THR A 75 -9.765 10.131 -6.388 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.505 9.557 -6.080 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.750 11.611 -6.001 1.00 0.00 C ATOM 0 H THR A 75 -9.322 8.718 -4.301 1.00 0.00 H new ATOM 0 HA THR A 75 -11.717 10.022 -5.415 1.00 0.00 H new ATOM 0 HB THR A 75 -9.969 10.054 -7.456 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.052 10.104 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.965 12.124 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.715 12.059 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.560 11.706 -4.932 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.726 7.024 -6.377 1.00 0.00 N ATOM 1075 CA ALA A 76 -11.148 5.887 -7.257 1.00 0.00 C ATOM 1076 C ALA A 76 -12.167 4.994 -6.540 1.00 0.00 C ATOM 1077 O ALA A 76 -12.579 5.271 -5.432 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.908 5.062 -7.631 1.00 0.00 C ATOM 0 H ALA A 76 -9.969 6.816 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.618 6.287 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.203 4.231 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.197 5.695 -8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.442 4.674 -6.725 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.588 3.933 -7.178 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.599 3.005 -6.584 1.00 0.00 C ATOM 1086 C GLU A 77 -12.993 2.243 -5.393 1.00 0.00 C ATOM 1087 O GLU A 77 -12.010 1.560 -5.530 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.023 2.028 -7.707 1.00 0.00 C ATOM 1089 CG GLU A 77 -14.145 0.571 -7.217 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.807 -0.273 -8.316 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.301 0.307 -9.268 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -14.804 -1.486 -8.177 1.00 0.00 O ATOM 0 H GLU A 77 -12.266 3.664 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.462 3.553 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.979 2.349 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.295 2.074 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.160 0.171 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.737 0.530 -6.303 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.582 2.331 -4.242 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.019 1.584 -3.082 1.00 0.00 C ATOM 1101 C LEU A 78 -13.377 0.112 -3.185 1.00 0.00 C ATOM 1102 O LEU A 78 -14.360 -0.281 -3.781 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.543 2.164 -1.764 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.520 1.884 -0.639 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.275 2.790 -0.805 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.170 2.118 0.735 1.00 0.00 C ATOM 0 H LEU A 78 -14.420 2.880 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.934 1.686 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.705 3.237 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.506 1.718 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.202 0.843 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.564 2.581 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.806 2.591 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.577 3.836 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.442 1.918 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.507 3.152 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.023 1.450 0.853 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.542 -0.696 -2.614 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.727 -2.163 -2.643 1.00 0.00 C ATOM 1120 C LYS A 79 -13.037 -2.629 -1.220 1.00 0.00 C ATOM 1121 O LYS A 79 -12.684 -1.969 -0.257 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.391 -2.761 -3.100 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.298 -2.813 -4.625 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.083 -4.013 -5.180 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.740 -4.210 -6.654 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.273 -4.435 -6.797 1.00 0.00 N ATOM 0 H LYS A 79 -11.710 -0.389 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.536 -2.466 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.569 -2.165 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.282 -3.766 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.690 -1.889 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.253 -2.885 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.839 -4.913 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.154 -3.845 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.290 -5.061 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.042 -3.335 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.091 -5.013 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.789 -3.519 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.914 -4.930 -5.956 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.663 -3.761 -1.064 1.00 0.00 N ATOM 1141 CA PRO A 80 -13.968 -4.295 0.288 1.00 0.00 C ATOM 1142 C PRO A 80 -12.664 -4.506 1.060 1.00 0.00 C ATOM 1143 O PRO A 80 -12.609 -4.369 2.262 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.697 -5.627 0.009 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.363 -5.978 -1.403 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.138 -4.652 -2.126 1.00 0.00 C ATOM 0 HA PRO A 80 -14.577 -3.628 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.366 -6.406 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.774 -5.520 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.471 -6.603 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.172 -6.542 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.404 -4.750 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.057 -4.281 -2.580 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.611 -4.838 0.348 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.282 -5.066 0.996 1.00 0.00 C ATOM 1156 C ASN A 81 -9.328 -3.905 0.660 1.00 0.00 C ATOM 1157 O ASN A 81 -8.126 -4.057 0.728 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.697 -6.412 0.490 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.747 -6.205 -0.693 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.566 -5.991 -0.514 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.213 -6.251 -1.909 1.00 0.00 N ATOM 0 H ASN A 81 -11.618 -4.961 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.402 -5.110 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.165 -6.906 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.510 -7.074 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.586 -6.108 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.204 -6.430 -2.069 1.00 0.00 H new ATOM 1168 N SER A 82 -9.831 -2.746 0.320 1.00 0.00 N ATOM 1169 CA SER A 82 -8.926 -1.610 0.009 1.00 0.00 C ATOM 1170 C SER A 82 -8.168 -1.215 1.281 1.00 0.00 C ATOM 1171 O SER A 82 -8.663 -1.358 2.388 1.00 0.00 O ATOM 1172 CB SER A 82 -9.761 -0.442 -0.480 1.00 0.00 C ATOM 1173 OG SER A 82 -9.092 0.159 -1.570 1.00 0.00 O ATOM 0 H SER A 82 -10.828 -2.542 0.246 1.00 0.00 H new ATOM 0 HA SER A 82 -8.210 -1.893 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.750 -0.784 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.907 0.282 0.322 1.00 0.00 H new ATOM 0 HG SER A 82 -8.923 -0.514 -2.262 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.958 -0.760 1.130 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.125 -0.396 2.325 1.00 0.00 C ATOM 1181 C ARG A 83 -5.358 0.903 2.091 1.00 0.00 C ATOM 1182 O ARG A 83 -5.413 1.495 1.030 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.103 -1.515 2.565 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.798 -2.788 3.123 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.669 -2.882 4.664 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.970 -3.368 5.232 1.00 0.00 N ATOM 1187 CZ ARG A 83 -7.032 -4.397 6.052 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.959 -5.071 6.374 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -8.186 -4.751 6.541 1.00 0.00 N ATOM 0 H ARG A 83 -6.501 -0.621 0.229 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.787 -0.266 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.593 -1.753 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.342 -1.174 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.852 -2.778 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.357 -3.674 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.862 -3.563 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.416 -1.907 5.081 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.832 -2.887 4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.053 -4.803 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.027 -5.865 7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.028 -4.233 6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.248 -5.546 7.177 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.613 1.324 3.087 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.787 2.561 2.976 1.00 0.00 C ATOM 1205 C LEU A 84 -2.311 2.151 3.058 1.00 0.00 C ATOM 1206 O LEU A 84 -1.847 1.630 4.056 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.143 3.524 4.109 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.638 3.885 4.051 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.951 4.925 5.132 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.995 4.459 2.668 1.00 0.00 C ATOM 0 H LEU A 84 -4.544 0.850 3.988 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.978 3.069 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.909 3.068 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.540 4.428 4.030 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.228 2.985 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.009 5.183 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.713 4.513 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.353 5.820 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.055 4.710 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.405 5.357 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.778 3.717 1.899 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.597 2.354 1.989 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.157 1.961 1.913 1.00 0.00 C ATOM 1224 C CYS A 85 0.666 2.482 3.111 1.00 0.00 C ATOM 1225 O CYS A 85 1.632 1.861 3.511 1.00 0.00 O ATOM 1226 CB CYS A 85 0.418 2.528 0.606 1.00 0.00 C ATOM 1227 SG CYS A 85 1.666 1.402 -0.054 1.00 0.00 S ATOM 0 H CYS A 85 -1.958 2.788 1.139 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.094 0.873 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.381 2.668 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.859 3.508 0.787 1.00 0.00 H new ATOM 0 HG CYS A 85 1.993 1.773 -1.256 1.00 0.00 H new ATOM 1233 N CYS A 86 0.339 3.624 3.653 1.00 0.00 N ATOM 1234 CA CYS A 86 1.166 4.167 4.788 1.00 0.00 C ATOM 1235 C CYS A 86 0.737 3.587 6.138 1.00 0.00 C ATOM 1236 O CYS A 86 1.089 4.122 7.170 1.00 0.00 O ATOM 1237 CB CYS A 86 1.042 5.692 4.830 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.602 6.163 5.424 1.00 0.00 S ATOM 0 H CYS A 86 -0.452 4.203 3.370 1.00 0.00 H new ATOM 0 HA CYS A 86 2.201 3.875 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.807 6.110 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.211 6.106 3.836 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.010 2.509 6.162 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.439 1.927 7.488 1.00 0.00 C ATOM 1245 C GLN A 87 -0.348 0.390 7.461 1.00 0.00 C ATOM 1246 O GLN A 87 -0.917 -0.285 8.297 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.869 2.382 7.773 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.944 3.900 7.573 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.221 4.452 8.201 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.638 4.009 9.254 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.858 5.418 7.597 1.00 0.00 N ATOM 0 H GLN A 87 -0.341 2.008 5.337 1.00 0.00 H new ATOM 0 HA GLN A 87 0.223 2.278 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.568 1.877 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.154 2.119 8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.073 4.377 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.922 4.135 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.506 5.787 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.708 5.804 8.008 1.00 0.00 H new ATOM 1260 N ILE A 88 0.382 -0.152 6.518 1.00 0.00 N ATOM 1261 CA ILE A 88 0.545 -1.649 6.427 1.00 0.00 C ATOM 1262 C ILE A 88 2.002 -2.036 6.733 1.00 0.00 C ATOM 1263 O ILE A 88 2.924 -1.529 6.147 1.00 0.00 O ATOM 1264 CB ILE A 88 0.125 -2.133 5.022 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.412 -2.147 4.964 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.680 -3.548 4.761 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.898 -2.444 3.537 1.00 0.00 C ATOM 0 H ILE A 88 0.878 0.376 5.800 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.097 -2.133 7.163 1.00 0.00 H new ATOM 0 HB ILE A 88 0.524 -1.466 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.800 -2.900 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.802 -1.184 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.378 -3.880 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.768 -3.529 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.287 -4.237 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.988 -2.449 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.527 -1.676 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.525 -3.418 3.221 1.00 0.00 H new ATOM 1279 N ILE A 89 2.196 -2.942 7.670 1.00 0.00 N ATOM 1280 CA ILE A 89 3.578 -3.384 8.070 1.00 0.00 C ATOM 1281 C ILE A 89 3.938 -4.708 7.382 1.00 0.00 C ATOM 1282 O ILE A 89 3.289 -5.717 7.576 1.00 0.00 O ATOM 1283 CB ILE A 89 3.604 -3.576 9.616 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.996 -2.260 10.297 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.604 -4.674 10.036 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.080 -1.128 9.825 1.00 0.00 C ATOM 0 H ILE A 89 1.443 -3.401 8.182 1.00 0.00 H new ATOM 0 HA ILE A 89 4.305 -2.630 7.767 1.00 0.00 H new ATOM 0 HB ILE A 89 2.605 -3.881 9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.926 -2.367 11.379 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.034 -2.018 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.594 -4.779 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.319 -5.621 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.606 -4.399 9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.368 -0.198 10.316 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.172 -1.012 8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.047 -1.367 10.078 1.00 0.00 H new ATOM 1298 N MET A 90 4.973 -4.706 6.592 1.00 0.00 N ATOM 1299 CA MET A 90 5.372 -5.957 5.904 1.00 0.00 C ATOM 1300 C MET A 90 6.114 -6.873 6.869 1.00 0.00 C ATOM 1301 O MET A 90 6.632 -6.443 7.877 1.00 0.00 O ATOM 1302 CB MET A 90 6.273 -5.641 4.702 1.00 0.00 C ATOM 1303 CG MET A 90 6.222 -6.810 3.716 1.00 0.00 C ATOM 1304 SD MET A 90 4.566 -6.880 2.969 1.00 0.00 S ATOM 1305 CE MET A 90 4.024 -8.482 3.635 1.00 0.00 C ATOM 0 H MET A 90 5.557 -3.893 6.395 1.00 0.00 H new ATOM 0 HA MET A 90 4.471 -6.459 5.552 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.942 -4.724 4.215 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.298 -5.474 5.034 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.979 -6.684 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.444 -7.746 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.138 -8.819 3.097 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.822 -9.215 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.787 -8.375 4.694 1.00 0.00 H new ATOM 1315 N THR A 91 6.175 -8.135 6.555 1.00 0.00 N ATOM 1316 CA THR A 91 6.896 -9.112 7.418 1.00 0.00 C ATOM 1317 C THR A 91 7.425 -10.236 6.527 1.00 0.00 C ATOM 1318 O THR A 91 6.827 -10.548 5.513 1.00 0.00 O ATOM 1319 CB THR A 91 5.937 -9.694 8.460 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.725 -10.077 7.824 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.644 -8.649 9.526 1.00 0.00 C ATOM 0 H THR A 91 5.748 -8.539 5.721 1.00 0.00 H new ATOM 0 HA THR A 91 7.718 -8.618 7.936 1.00 0.00 H new ATOM 0 HB THR A 91 6.395 -10.566 8.927 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.111 -10.451 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.961 -9.066 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.574 -8.356 10.014 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.187 -7.775 9.063 1.00 0.00 H new ATOM 1329 N PRO A 92 8.533 -10.841 6.875 1.00 0.00 N ATOM 1330 CA PRO A 92 9.117 -11.933 6.051 1.00 0.00 C ATOM 1331 C PRO A 92 8.120 -13.081 5.854 1.00 0.00 C ATOM 1332 O PRO A 92 7.976 -13.613 4.769 1.00 0.00 O ATOM 1333 CB PRO A 92 10.358 -12.390 6.847 1.00 0.00 C ATOM 1334 CG PRO A 92 10.177 -11.838 8.226 1.00 0.00 C ATOM 1335 CD PRO A 92 9.343 -10.571 8.075 1.00 0.00 C ATOM 0 HA PRO A 92 9.372 -11.601 5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.433 -13.477 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.275 -12.016 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.675 -12.559 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.140 -11.617 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.718 -10.394 8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.970 -9.689 7.947 1.00 0.00 H new ATOM 1343 N GLU A 93 7.436 -13.468 6.895 1.00 0.00 N ATOM 1344 CA GLU A 93 6.463 -14.584 6.756 1.00 0.00 C ATOM 1345 C GLU A 93 5.451 -14.237 5.657 1.00 0.00 C ATOM 1346 O GLU A 93 5.022 -15.090 4.905 1.00 0.00 O ATOM 1347 CB GLU A 93 5.735 -14.814 8.083 1.00 0.00 C ATOM 1348 CG GLU A 93 5.348 -13.471 8.704 1.00 0.00 C ATOM 1349 CD GLU A 93 4.400 -13.711 9.878 1.00 0.00 C ATOM 1350 OE1 GLU A 93 3.631 -14.655 9.810 1.00 0.00 O ATOM 1351 OE2 GLU A 93 4.462 -12.947 10.825 1.00 0.00 O ATOM 0 H GLU A 93 7.508 -13.063 7.828 1.00 0.00 H new ATOM 0 HA GLU A 93 6.994 -15.497 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.843 -15.419 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.376 -15.370 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.240 -12.944 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.868 -12.837 7.958 1.00 0.00 H new ATOM 1358 N LEU A 94 5.050 -12.994 5.569 1.00 0.00 N ATOM 1359 CA LEU A 94 4.047 -12.608 4.530 1.00 0.00 C ATOM 1360 C LEU A 94 4.754 -12.237 3.224 1.00 0.00 C ATOM 1361 O LEU A 94 4.217 -11.536 2.390 1.00 0.00 O ATOM 1362 CB LEU A 94 3.184 -11.427 5.048 1.00 0.00 C ATOM 1363 CG LEU A 94 1.925 -11.968 5.758 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.264 -10.854 6.585 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.904 -12.500 4.721 1.00 0.00 C ATOM 0 H LEU A 94 5.371 -12.233 6.168 1.00 0.00 H new ATOM 0 HA LEU A 94 3.391 -13.455 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.766 -10.815 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.895 -10.784 4.216 1.00 0.00 H new ATOM 0 HG LEU A 94 2.229 -12.782 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.377 -11.247 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.968 -10.490 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.978 -10.033 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.022 -12.878 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.612 -11.692 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.358 -13.305 4.143 1.00 0.00 H new ATOM 1377 N ASP A 95 5.960 -12.683 3.033 1.00 0.00 N ATOM 1378 CA ASP A 95 6.691 -12.352 1.784 1.00 0.00 C ATOM 1379 C ASP A 95 5.885 -12.830 0.559 1.00 0.00 C ATOM 1380 O ASP A 95 5.299 -13.895 0.568 1.00 0.00 O ATOM 1381 CB ASP A 95 8.053 -13.050 1.804 1.00 0.00 C ATOM 1382 CG ASP A 95 7.853 -14.558 1.976 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.738 -14.960 2.261 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.818 -15.286 1.812 1.00 0.00 O ATOM 0 H ASP A 95 6.474 -13.267 3.693 1.00 0.00 H new ATOM 0 HA ASP A 95 6.828 -11.273 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.591 -12.847 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.662 -12.658 2.619 1.00 0.00 H new ATOM 1389 N GLY A 96 5.879 -12.052 -0.495 1.00 0.00 N ATOM 1390 CA GLY A 96 5.145 -12.440 -1.749 1.00 0.00 C ATOM 1391 C GLY A 96 3.893 -11.570 -1.918 1.00 0.00 C ATOM 1392 O GLY A 96 3.119 -11.736 -2.837 1.00 0.00 O ATOM 0 H GLY A 96 6.357 -11.152 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.799 -12.322 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.863 -13.492 -1.704 1.00 0.00 H new ATOM 1396 N ILE A 97 3.674 -10.690 -0.996 1.00 0.00 N ATOM 1397 CA ILE A 97 2.442 -9.824 -1.016 1.00 0.00 C ATOM 1398 C ILE A 97 2.298 -9.077 -2.342 1.00 0.00 C ATOM 1399 O ILE A 97 3.230 -8.464 -2.827 1.00 0.00 O ATOM 1400 CB ILE A 97 2.553 -8.813 0.150 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.677 -7.541 -0.057 1.00 0.00 C ATOM 1402 CG2 ILE A 97 4.029 -8.381 0.306 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.184 -7.876 -0.116 1.00 0.00 C ATOM 0 H ILE A 97 4.299 -10.519 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 97 1.559 -10.453 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 97 2.187 -9.317 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.859 -6.839 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.974 -7.043 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.115 -7.668 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.643 -9.256 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.371 -7.914 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.389 -6.960 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.004 -8.557 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.120 -8.350 0.817 1.00 0.00 H new ATOM 1415 N VAL A 98 1.117 -9.111 -2.926 1.00 0.00 N ATOM 1416 CA VAL A 98 0.888 -8.385 -4.217 1.00 0.00 C ATOM 1417 C VAL A 98 0.052 -7.126 -3.960 1.00 0.00 C ATOM 1418 O VAL A 98 -1.069 -7.202 -3.495 1.00 0.00 O ATOM 1419 CB VAL A 98 0.138 -9.300 -5.196 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.313 -8.787 -6.627 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.697 -10.720 -5.085 1.00 0.00 C ATOM 0 H VAL A 98 0.305 -9.610 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 98 1.850 -8.102 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.924 -9.303 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.222 -9.441 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.087 -7.776 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.372 -8.778 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.168 -11.374 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.759 -10.713 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.563 -11.085 -4.067 1.00 0.00 H new ATOM 1431 N VAL A 99 0.590 -5.965 -4.248 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.154 -4.685 -4.013 1.00 0.00 C ATOM 1433 C VAL A 99 -0.576 -4.095 -5.364 1.00 0.00 C ATOM 1434 O VAL A 99 0.220 -3.957 -6.265 1.00 0.00 O ATOM 1435 CB VAL A 99 0.775 -3.670 -3.329 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.058 -2.611 -2.601 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.683 -4.376 -2.327 1.00 0.00 C ATOM 0 H VAL A 99 1.524 -5.848 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.024 -4.887 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 99 1.389 -3.191 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.606 -1.894 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.693 -2.091 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.681 -3.093 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.336 -3.645 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.074 -4.869 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.288 -5.119 -2.846 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.821 -3.753 -5.492 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.332 -3.170 -6.772 1.00 0.00 C ATOM 1449 C ASP A 100 -2.548 -1.662 -6.581 1.00 0.00 C ATOM 1450 O ASP A 100 -3.306 -1.222 -5.742 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.638 -3.889 -7.156 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.360 -5.001 -8.174 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.741 -4.710 -9.181 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.774 -6.123 -7.932 1.00 0.00 O ATOM 0 H ASP A 100 -2.522 -3.851 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.615 -3.309 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.103 -4.311 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.345 -3.173 -7.575 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.862 -0.875 -7.373 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.979 0.613 -7.284 1.00 0.00 C ATOM 1461 C VAL A 101 -3.033 1.089 -8.301 1.00 0.00 C ATOM 1462 O VAL A 101 -3.222 0.442 -9.314 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.605 1.216 -7.611 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.522 2.690 -7.169 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.475 0.403 -6.885 1.00 0.00 C ATOM 0 H VAL A 101 -1.216 -1.207 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.287 0.927 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.453 1.178 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.463 3.088 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.287 3.269 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.683 2.757 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.457 0.821 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.300 0.443 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.437 -0.634 -7.220 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.737 2.189 -8.076 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.772 2.673 -9.013 1.00 0.00 C ATOM 1477 C PRO A 102 -4.285 3.809 -9.928 1.00 0.00 C ATOM 1478 O PRO A 102 -3.160 4.261 -9.834 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.851 3.187 -8.059 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.105 3.669 -6.833 1.00 0.00 C ATOM 1481 CD PRO A 102 -3.669 3.107 -6.917 1.00 0.00 C ATOM 0 HA PRO A 102 -5.097 1.895 -9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.425 3.995 -8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.558 2.398 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.090 4.758 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.599 3.327 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.935 3.898 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.387 2.583 -6.004 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.148 4.280 -10.781 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.784 5.399 -11.696 1.00 0.00 C ATOM 1491 C ASP A 103 -5.037 6.715 -10.961 1.00 0.00 C ATOM 1492 O ASP A 103 -4.498 7.748 -11.311 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.660 5.338 -12.947 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.610 3.928 -13.533 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -6.293 3.063 -13.011 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.891 3.736 -14.504 1.00 0.00 O ATOM 0 H ASP A 103 -6.102 3.934 -10.886 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.737 5.324 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.687 5.604 -12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.312 6.062 -13.684 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.875 6.679 -9.958 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.212 7.906 -9.187 1.00 0.00 C ATOM 1503 C ARG A 104 -6.112 7.563 -7.701 1.00 0.00 C ATOM 1504 O ARG A 104 -6.805 6.689 -7.221 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.665 8.316 -9.547 1.00 0.00 C ATOM 1506 CG ARG A 104 -7.787 9.834 -9.782 1.00 0.00 C ATOM 1507 CD ARG A 104 -9.030 10.113 -10.631 1.00 0.00 C ATOM 1508 NE ARG A 104 -8.878 9.410 -11.929 1.00 0.00 N ATOM 1509 CZ ARG A 104 -9.617 9.754 -12.955 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -10.556 10.647 -12.804 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -9.433 9.190 -14.119 1.00 0.00 N ATOM 0 H ARG A 104 -6.347 5.834 -9.637 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.536 8.729 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.982 7.782 -10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.337 8.017 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.858 10.357 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.896 10.209 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.926 9.768 -10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.147 11.185 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.196 8.657 -12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.712 11.074 -11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.134 10.919 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.711 8.478 -14.232 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.011 9.461 -14.914 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.269 8.243 -6.970 1.00 0.00 N ATOM 1526 CA GLN A 105 -5.137 7.962 -5.516 1.00 0.00 C ATOM 1527 C GLN A 105 -5.251 9.297 -4.768 1.00 0.00 C ATOM 1528 O GLN A 105 -5.677 9.358 -3.631 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.771 7.302 -5.221 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.741 7.729 -6.280 1.00 0.00 C ATOM 1531 CD GLN A 105 -2.620 9.254 -6.300 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -2.341 9.866 -5.288 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -2.820 9.897 -7.415 1.00 0.00 N ATOM 0 H GLN A 105 -4.664 8.985 -7.322 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.919 7.276 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.425 7.591 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.875 6.217 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.772 7.281 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.044 7.366 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.054 9.384 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.742 10.914 -7.438 1.00 0.00 H new ATOM 1542 N TRP A 106 -4.876 10.368 -5.413 1.00 0.00 N ATOM 1543 CA TRP A 106 -4.962 11.712 -4.773 1.00 0.00 C ATOM 1544 C TRP A 106 -6.365 11.871 -4.157 1.00 0.00 C ATOM 1545 O TRP A 106 -6.578 12.853 -3.471 1.00 0.00 O ATOM 1546 CB TRP A 106 -4.686 12.804 -5.841 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.515 14.029 -5.585 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -6.754 14.230 -6.083 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.197 15.208 -4.789 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.228 15.446 -5.635 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -6.305 16.091 -4.833 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.073 15.591 -4.037 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -6.294 17.311 -4.159 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -4.059 16.819 -3.359 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -5.167 17.676 -3.413 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.195 11.009 -4.394 1.00 0.00 O ATOM 0 H TRP A 106 -4.510 10.369 -6.365 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.218 11.816 -3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -3.628 13.068 -5.832 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -4.908 12.411 -6.833 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.288 13.548 -6.728 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.147 15.823 -5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.216 14.937 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -7.148 17.970 -4.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -3.187 17.107 -2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -5.151 18.615 -2.880 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.579 10.046 3.685 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.663 7.319 3.878 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.952 8.799 4.877 1.00 0.00 S HETATM 1571 S2 FES A 107 -0.212 8.572 2.781 1.00 0.00 S