USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 170:sc= 0.32 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -152:sc= 1.76 (180deg=1.42) USER MOD Set 2.1: A 32 SER OG : rot 167:sc= 0.712 USER MOD Set 2.2: A 99 GLN : amide:sc= 1.23 K(o=1.9,f=-4!) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0671) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.09 (180deg=1.09) USER MOD Single : A 4 SER OG : rot -47:sc= 0.187 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.11) USER MOD Single : A 9 TYR OH : rot -140:sc= 0.84 USER MOD Single : A 13 TYR OH : rot -1:sc= 1.88 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 0.0496 (180deg=0) USER MOD Single : A 35 MET CE :methyl -167:sc= 0 (180deg=-0.489) USER MOD Single : A 38 MET CE :methyl -156:sc= -0.912 (180deg=-2.03!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -171:sc= 0.605 USER MOD Single : A 43 MET CE :methyl -109:sc= 0 (180deg=-0.0959) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.18) USER MOD Single : A 50 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-0.92) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.24) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.34) USER MOD Single : A 83 GLN : amide:sc=-0.00284 X(o=-0.0028,f=-0.0028) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.12) USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.01) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 158:sc= 2.15 (180deg=1.46) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.047 -11.233 20.358 1.00 0.00 N ATOM 2 CA MET A 1 4.013 -10.014 19.513 1.00 0.00 C ATOM 3 C MET A 1 4.449 -8.798 20.329 1.00 0.00 C ATOM 4 O MET A 1 3.907 -8.556 21.408 1.00 0.00 O ATOM 5 CB MET A 1 2.630 -9.815 18.859 1.00 0.00 C ATOM 6 CG MET A 1 2.568 -8.606 17.915 1.00 0.00 C ATOM 7 SD MET A 1 3.845 -8.573 16.626 1.00 0.00 S ATOM 8 CE MET A 1 3.236 -7.204 15.607 1.00 0.00 C ATOM 0 H1 MET A 1 3.733 -12.052 19.799 1.00 0.00 H new ATOM 0 H2 MET A 1 5.018 -11.395 20.694 1.00 0.00 H new ATOM 0 H3 MET A 1 3.414 -11.108 21.174 1.00 0.00 H new ATOM 0 HA MET A 1 4.722 -10.138 18.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.367 -10.715 18.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.881 -9.694 19.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.589 -8.588 17.436 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.649 -7.696 18.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.837 -7.129 14.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.195 -7.386 15.338 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.308 -6.272 16.168 1.00 0.00 H new ATOM 20 N ALA A 2 5.417 -8.028 19.815 1.00 0.00 N ATOM 21 CA ALA A 2 6.055 -6.904 20.519 1.00 0.00 C ATOM 22 C ALA A 2 5.677 -5.506 19.971 1.00 0.00 C ATOM 23 O ALA A 2 6.222 -4.496 20.421 1.00 0.00 O ATOM 24 CB ALA A 2 7.571 -7.151 20.513 1.00 0.00 C ATOM 0 H ALA A 2 5.788 -8.171 18.876 1.00 0.00 H new ATOM 0 HA ALA A 2 5.677 -6.878 21.541 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.075 -6.333 21.029 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.789 -8.090 21.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.927 -7.205 19.484 1.00 0.00 H new ATOM 30 N GLU A 3 4.760 -5.430 19.000 1.00 0.00 N ATOM 31 CA GLU A 3 4.351 -4.193 18.312 1.00 0.00 C ATOM 32 C GLU A 3 2.838 -4.132 18.023 1.00 0.00 C ATOM 33 O GLU A 3 2.120 -5.128 18.138 1.00 0.00 O ATOM 34 CB GLU A 3 5.157 -4.046 16.999 1.00 0.00 C ATOM 35 CG GLU A 3 6.341 -3.073 17.122 1.00 0.00 C ATOM 36 CD GLU A 3 5.929 -1.603 17.377 1.00 0.00 C ATOM 37 OE1 GLU A 3 4.715 -1.280 17.399 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.835 -0.753 17.561 1.00 0.00 O ATOM 0 H GLU A 3 4.264 -6.253 18.658 1.00 0.00 H new ATOM 0 HA GLU A 3 4.567 -3.362 18.983 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.529 -5.025 16.697 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.491 -3.700 16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.986 -3.404 17.936 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.932 -3.120 16.207 1.00 0.00 H new ATOM 45 N SER A 4 2.361 -2.960 17.590 1.00 0.00 N ATOM 46 CA SER A 4 0.981 -2.725 17.122 1.00 0.00 C ATOM 47 C SER A 4 0.759 -3.108 15.641 1.00 0.00 C ATOM 48 O SER A 4 -0.298 -2.829 15.068 1.00 0.00 O ATOM 49 CB SER A 4 0.596 -1.264 17.397 1.00 0.00 C ATOM 50 OG SER A 4 -0.811 -1.085 17.354 1.00 0.00 O ATOM 0 H SER A 4 2.938 -2.120 17.552 1.00 0.00 H new ATOM 0 HA SER A 4 0.323 -3.388 17.684 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.973 -0.964 18.375 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.070 -0.616 16.660 1.00 0.00 H new ATOM 0 HG SER A 4 -1.171 -1.515 16.550 1.00 0.00 H new ATOM 56 N SER A 5 1.744 -3.747 15.002 1.00 0.00 N ATOM 57 CA SER A 5 1.762 -4.131 13.580 1.00 0.00 C ATOM 58 C SER A 5 0.962 -5.410 13.305 1.00 0.00 C ATOM 59 O SER A 5 1.476 -6.363 12.725 1.00 0.00 O ATOM 60 CB SER A 5 3.209 -4.254 13.076 1.00 0.00 C ATOM 61 OG SER A 5 3.930 -3.056 13.330 1.00 0.00 O ATOM 0 H SER A 5 2.597 -4.027 15.485 1.00 0.00 H new ATOM 0 HA SER A 5 1.266 -3.336 13.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.701 -5.093 13.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.211 -4.466 12.007 1.00 0.00 H new ATOM 0 HG SER A 5 4.849 -3.152 13.004 1.00 0.00 H new ATOM 67 N ASP A 6 -0.299 -5.449 13.741 1.00 0.00 N ATOM 68 CA ASP A 6 -1.215 -6.582 13.545 1.00 0.00 C ATOM 69 C ASP A 6 -2.427 -6.206 12.663 1.00 0.00 C ATOM 70 O ASP A 6 -3.587 -6.478 12.981 1.00 0.00 O ATOM 71 CB ASP A 6 -1.570 -7.221 14.897 1.00 0.00 C ATOM 72 CG ASP A 6 -2.246 -8.594 14.729 1.00 0.00 C ATOM 73 OD1 ASP A 6 -1.829 -9.369 13.832 1.00 0.00 O ATOM 74 OD2 ASP A 6 -3.165 -8.921 15.519 1.00 0.00 O ATOM 0 H ASP A 6 -0.725 -4.676 14.253 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.707 -7.357 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.664 -7.334 15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.234 -6.556 15.449 1.00 0.00 H new ATOM 79 N LYS A 7 -2.131 -5.523 11.551 1.00 0.00 N ATOM 80 CA LYS A 7 -3.045 -5.103 10.482 1.00 0.00 C ATOM 81 C LYS A 7 -3.189 -6.240 9.467 1.00 0.00 C ATOM 82 O LYS A 7 -2.729 -7.362 9.697 1.00 0.00 O ATOM 83 CB LYS A 7 -2.504 -3.775 9.887 1.00 0.00 C ATOM 84 CG LYS A 7 -2.032 -2.741 10.939 1.00 0.00 C ATOM 85 CD LYS A 7 -3.165 -2.210 11.838 1.00 0.00 C ATOM 86 CE LYS A 7 -2.681 -1.625 13.174 1.00 0.00 C ATOM 87 NZ LYS A 7 -1.676 -0.540 13.023 1.00 0.00 N ATOM 0 H LYS A 7 -1.174 -5.227 11.361 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.052 -4.904 10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.671 -4.003 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.285 -3.321 9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.266 -3.198 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.564 -1.901 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.716 -1.442 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.865 -3.021 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.539 -1.239 13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.251 -2.425 13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.584 -0.025 13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.757 -0.952 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.984 0.117 12.278 1.00 0.00 H new ATOM 101 N LEU A 8 -3.791 -5.943 8.321 1.00 0.00 N ATOM 102 CA LEU A 8 -3.544 -6.704 7.092 1.00 0.00 C ATOM 103 C LEU A 8 -2.689 -5.906 6.112 1.00 0.00 C ATOM 104 O LEU A 8 -1.856 -6.487 5.417 1.00 0.00 O ATOM 105 CB LEU A 8 -4.881 -7.070 6.427 1.00 0.00 C ATOM 106 CG LEU A 8 -5.830 -7.944 7.260 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.119 -8.138 6.465 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.232 -9.315 7.575 1.00 0.00 C ATOM 0 H LEU A 8 -4.457 -5.178 8.213 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.004 -7.612 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.401 -6.147 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.669 -7.588 5.492 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.013 -7.440 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.810 -8.757 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.576 -7.168 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.892 -8.628 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.942 -9.894 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.019 -9.841 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.308 -9.188 8.140 1.00 0.00 H new ATOM 120 N TYR A 9 -2.882 -4.587 6.073 1.00 0.00 N ATOM 121 CA TYR A 9 -2.469 -3.728 4.971 1.00 0.00 C ATOM 122 C TYR A 9 -1.945 -2.391 5.509 1.00 0.00 C ATOM 123 O TYR A 9 -2.352 -1.927 6.576 1.00 0.00 O ATOM 124 CB TYR A 9 -3.662 -3.502 4.018 1.00 0.00 C ATOM 125 CG TYR A 9 -4.421 -4.729 3.529 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.730 -5.857 3.055 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.829 -4.737 3.539 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.429 -6.999 2.623 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.540 -5.874 3.101 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.839 -7.008 2.639 1.00 0.00 C ATOM 131 OH TYR A 9 -6.510 -8.102 2.187 1.00 0.00 O ATOM 0 H TYR A 9 -3.342 -4.077 6.827 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.663 -4.211 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.373 -2.846 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.295 -2.964 3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.651 -5.847 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.368 -3.867 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.886 -7.867 2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.620 -5.876 3.119 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.298 -7.816 1.680 1.00 0.00 H new ATOM 141 N ARG A 10 -1.062 -1.751 4.745 1.00 0.00 N ATOM 142 CA ARG A 10 -0.466 -0.435 5.012 1.00 0.00 C ATOM 143 C ARG A 10 -0.435 0.371 3.710 1.00 0.00 C ATOM 144 O ARG A 10 -0.225 -0.219 2.655 1.00 0.00 O ATOM 145 CB ARG A 10 0.922 -0.646 5.665 1.00 0.00 C ATOM 146 CG ARG A 10 1.983 0.463 5.505 1.00 0.00 C ATOM 147 CD ARG A 10 1.642 1.806 6.173 1.00 0.00 C ATOM 148 NE ARG A 10 1.692 1.756 7.646 1.00 0.00 N ATOM 149 CZ ARG A 10 2.653 2.168 8.455 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.770 2.713 8.067 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.474 2.037 9.734 1.00 0.00 N ATOM 0 H ARG A 10 -0.721 -2.156 3.873 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.057 0.150 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.766 -0.806 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.342 -1.568 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.926 0.102 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.144 0.637 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.338 2.567 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.645 2.116 5.861 1.00 0.00 H new ATOM 0 HE ARG A 10 0.875 1.349 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.953 2.849 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.462 3.004 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.611 1.626 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.197 2.345 10.384 1.00 0.00 H new ATOM 165 N VAL A 11 -0.632 1.686 3.772 1.00 0.00 N ATOM 166 CA VAL A 11 -0.390 2.650 2.682 1.00 0.00 C ATOM 167 C VAL A 11 0.259 3.927 3.226 1.00 0.00 C ATOM 168 O VAL A 11 -0.049 4.351 4.340 1.00 0.00 O ATOM 169 CB VAL A 11 -1.702 2.940 1.930 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.643 3.898 2.673 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.460 3.546 0.544 1.00 0.00 C ATOM 0 H VAL A 11 -0.980 2.137 4.618 1.00 0.00 H new ATOM 0 HA VAL A 11 0.309 2.216 1.967 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.170 1.959 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.545 4.054 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.912 3.468 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.141 4.853 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.417 3.731 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.917 4.486 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.873 2.853 -0.059 1.00 0.00 H new ATOM 181 N GLU A 12 1.175 4.538 2.475 1.00 0.00 N ATOM 182 CA GLU A 12 1.884 5.759 2.873 1.00 0.00 C ATOM 183 C GLU A 12 2.586 6.401 1.675 1.00 0.00 C ATOM 184 O GLU A 12 2.877 5.748 0.669 1.00 0.00 O ATOM 185 CB GLU A 12 2.921 5.472 3.983 1.00 0.00 C ATOM 186 CG GLU A 12 4.032 4.503 3.549 1.00 0.00 C ATOM 187 CD GLU A 12 5.090 4.287 4.642 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.706 3.948 5.786 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.302 4.421 4.336 1.00 0.00 O ATOM 0 H GLU A 12 1.452 4.194 1.556 1.00 0.00 H new ATOM 0 HA GLU A 12 1.137 6.451 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.373 6.412 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.407 5.058 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.588 3.543 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.516 4.890 2.652 1.00 0.00 H new ATOM 196 N TYR A 13 2.918 7.680 1.818 1.00 0.00 N ATOM 197 CA TYR A 13 3.848 8.359 0.926 1.00 0.00 C ATOM 198 C TYR A 13 5.303 8.003 1.247 1.00 0.00 C ATOM 199 O TYR A 13 5.708 7.933 2.411 1.00 0.00 O ATOM 200 CB TYR A 13 3.630 9.867 1.019 1.00 0.00 C ATOM 201 CG TYR A 13 2.204 10.305 0.759 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.590 10.004 -0.471 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.503 11.032 1.738 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.321 10.533 -0.771 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.230 11.555 1.448 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.351 11.330 0.182 1.00 0.00 C ATOM 207 OH TYR A 13 -1.558 11.879 -0.108 1.00 0.00 O ATOM 0 H TYR A 13 2.548 8.276 2.559 1.00 0.00 H new ATOM 0 HA TYR A 13 3.653 8.025 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.927 10.205 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.287 10.363 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.092 9.367 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.942 11.189 2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.138 10.330 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.302 12.128 2.193 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.814 11.640 -1.023 1.00 0.00 H new ATOM 217 N ALA A 14 6.107 7.825 0.202 1.00 0.00 N ATOM 218 CA ALA A 14 7.533 7.558 0.298 1.00 0.00 C ATOM 219 C ALA A 14 8.328 8.868 0.463 1.00 0.00 C ATOM 220 O ALA A 14 8.481 9.636 -0.490 1.00 0.00 O ATOM 221 CB ALA A 14 7.925 6.764 -0.953 1.00 0.00 C ATOM 0 H ALA A 14 5.772 7.864 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 14 7.772 6.969 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.991 6.541 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.360 5.832 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.703 7.353 -1.843 1.00 0.00 H new ATOM 227 N LYS A 15 8.864 9.122 1.664 1.00 0.00 N ATOM 228 CA LYS A 15 9.742 10.276 1.962 1.00 0.00 C ATOM 229 C LYS A 15 11.211 10.021 1.583 1.00 0.00 C ATOM 230 O LYS A 15 11.947 10.954 1.266 1.00 0.00 O ATOM 231 CB LYS A 15 9.573 10.625 3.456 1.00 0.00 C ATOM 232 CG LYS A 15 10.293 11.898 3.933 1.00 0.00 C ATOM 233 CD LYS A 15 9.793 13.178 3.244 1.00 0.00 C ATOM 234 CE LYS A 15 10.452 14.406 3.884 1.00 0.00 C ATOM 235 NZ LYS A 15 9.961 15.673 3.276 1.00 0.00 N ATOM 0 H LYS A 15 8.701 8.524 2.474 1.00 0.00 H new ATOM 0 HA LYS A 15 9.444 11.126 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.509 10.732 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.932 9.784 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.161 11.999 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.362 11.791 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.025 13.143 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.709 13.249 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.247 14.413 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.534 14.341 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.428 16.482 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.179 15.677 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.932 15.747 3.410 1.00 0.00 H new ATOM 249 N SER A 16 11.624 8.754 1.591 1.00 0.00 N ATOM 250 CA SER A 16 12.964 8.258 1.250 1.00 0.00 C ATOM 251 C SER A 16 12.887 6.786 0.815 1.00 0.00 C ATOM 252 O SER A 16 11.931 6.080 1.161 1.00 0.00 O ATOM 253 CB SER A 16 13.895 8.434 2.457 1.00 0.00 C ATOM 254 OG SER A 16 15.217 8.046 2.123 1.00 0.00 O ATOM 0 H SER A 16 10.994 7.995 1.852 1.00 0.00 H new ATOM 0 HA SER A 16 13.367 8.831 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.886 9.474 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.534 7.835 3.293 1.00 0.00 H new ATOM 0 HG SER A 16 15.800 8.165 2.902 1.00 0.00 H new ATOM 260 N GLY A 17 13.881 6.306 0.062 1.00 0.00 N ATOM 261 CA GLY A 17 13.962 4.955 -0.517 1.00 0.00 C ATOM 262 C GLY A 17 14.312 3.839 0.482 1.00 0.00 C ATOM 263 O GLY A 17 15.174 3.004 0.205 1.00 0.00 O ATOM 0 H GLY A 17 14.694 6.875 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.006 4.718 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.710 4.960 -1.310 1.00 0.00 H new ATOM 267 N ARG A 18 13.675 3.838 1.661 1.00 0.00 N ATOM 268 CA ARG A 18 13.925 2.904 2.783 1.00 0.00 C ATOM 269 C ARG A 18 13.242 1.532 2.638 1.00 0.00 C ATOM 270 O ARG A 18 13.467 0.654 3.472 1.00 0.00 O ATOM 271 CB ARG A 18 13.527 3.579 4.112 1.00 0.00 C ATOM 272 CG ARG A 18 14.263 4.898 4.419 1.00 0.00 C ATOM 273 CD ARG A 18 15.794 4.786 4.461 1.00 0.00 C ATOM 274 NE ARG A 18 16.259 3.859 5.513 1.00 0.00 N ATOM 275 CZ ARG A 18 17.503 3.468 5.730 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.499 3.883 4.998 1.00 0.00 N ATOM 277 NH2 ARG A 18 17.774 2.642 6.698 1.00 0.00 N ATOM 0 H ARG A 18 12.940 4.513 1.874 1.00 0.00 H new ATOM 0 HA ARG A 18 14.993 2.687 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.455 3.774 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.712 2.879 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.987 5.636 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.914 5.278 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.158 4.445 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.224 5.773 4.633 1.00 0.00 H new ATOM 0 HE ARG A 18 15.546 3.481 6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.331 4.531 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.446 3.560 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.024 2.292 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.736 2.344 6.860 1.00 0.00 H new ATOM 291 N ALA A 19 12.424 1.343 1.601 1.00 0.00 N ATOM 292 CA ALA A 19 11.694 0.108 1.308 1.00 0.00 C ATOM 293 C ALA A 19 11.875 -0.337 -0.159 1.00 0.00 C ATOM 294 O ALA A 19 12.095 0.489 -1.050 1.00 0.00 O ATOM 295 CB ALA A 19 10.218 0.315 1.668 1.00 0.00 C ATOM 0 H ALA A 19 12.245 2.076 0.915 1.00 0.00 H new ATOM 0 HA ALA A 19 12.101 -0.702 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.660 -0.597 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.132 0.554 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.811 1.135 1.077 1.00 0.00 H new ATOM 301 N SER A 20 11.737 -1.643 -0.404 1.00 0.00 N ATOM 302 CA SER A 20 11.944 -2.285 -1.713 1.00 0.00 C ATOM 303 C SER A 20 10.768 -3.192 -2.067 1.00 0.00 C ATOM 304 O SER A 20 10.135 -3.764 -1.175 1.00 0.00 O ATOM 305 CB SER A 20 13.246 -3.096 -1.734 1.00 0.00 C ATOM 306 OG SER A 20 14.367 -2.261 -1.484 1.00 0.00 O ATOM 0 H SER A 20 11.470 -2.307 0.323 1.00 0.00 H new ATOM 0 HA SER A 20 12.016 -1.491 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.200 -3.885 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.360 -3.584 -2.702 1.00 0.00 H new ATOM 0 HG SER A 20 15.186 -2.799 -1.500 1.00 0.00 H new ATOM 312 N CYS A 21 10.472 -3.325 -3.361 1.00 0.00 N ATOM 313 CA CYS A 21 9.285 -4.027 -3.844 1.00 0.00 C ATOM 314 C CYS A 21 9.466 -5.554 -3.812 1.00 0.00 C ATOM 315 O CYS A 21 10.345 -6.111 -4.477 1.00 0.00 O ATOM 316 CB CYS A 21 8.967 -3.495 -5.240 1.00 0.00 C ATOM 317 SG CYS A 21 7.374 -4.138 -5.877 1.00 0.00 S ATOM 0 H CYS A 21 11.054 -2.945 -4.107 1.00 0.00 H new ATOM 0 HA CYS A 21 8.439 -3.835 -3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.933 -2.406 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.769 -3.772 -5.924 1.00 0.00 H new ATOM 322 N LYS A 22 8.606 -6.242 -3.054 1.00 0.00 N ATOM 323 CA LYS A 22 8.609 -7.713 -2.923 1.00 0.00 C ATOM 324 C LYS A 22 8.025 -8.434 -4.148 1.00 0.00 C ATOM 325 O LYS A 22 8.180 -9.652 -4.263 1.00 0.00 O ATOM 326 CB LYS A 22 7.829 -8.121 -1.659 1.00 0.00 C ATOM 327 CG LYS A 22 8.299 -7.468 -0.356 1.00 0.00 C ATOM 328 CD LYS A 22 9.695 -7.891 0.115 1.00 0.00 C ATOM 329 CE LYS A 22 9.762 -9.388 0.452 1.00 0.00 C ATOM 330 NZ LYS A 22 11.100 -9.772 0.972 1.00 0.00 N ATOM 0 H LYS A 22 7.875 -5.791 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 22 9.652 -8.021 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.777 -7.878 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.893 -9.203 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.288 -6.386 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.581 -7.702 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.424 -7.662 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.972 -7.309 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.000 -9.629 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.536 -9.973 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.109 -10.789 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.824 -9.564 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.305 -9.232 1.837 1.00 0.00 H new ATOM 344 N LYS A 23 7.341 -7.705 -5.039 1.00 0.00 N ATOM 345 CA LYS A 23 6.564 -8.261 -6.166 1.00 0.00 C ATOM 346 C LYS A 23 7.288 -8.161 -7.515 1.00 0.00 C ATOM 347 O LYS A 23 7.378 -9.175 -8.207 1.00 0.00 O ATOM 348 CB LYS A 23 5.161 -7.627 -6.185 1.00 0.00 C ATOM 349 CG LYS A 23 4.241 -8.078 -7.335 1.00 0.00 C ATOM 350 CD LYS A 23 4.017 -9.599 -7.402 1.00 0.00 C ATOM 351 CE LYS A 23 3.024 -9.934 -8.520 1.00 0.00 C ATOM 352 NZ LYS A 23 2.794 -11.398 -8.640 1.00 0.00 N ATOM 0 H LYS A 23 7.309 -6.686 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 23 6.455 -9.333 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.668 -7.852 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.272 -6.544 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.275 -7.584 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.668 -7.743 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.965 -10.107 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.637 -9.961 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.076 -9.433 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.400 -9.547 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.116 -11.581 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.694 -11.875 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.411 -11.764 -7.745 1.00 0.00 H new ATOM 366 N CYS A 24 7.824 -6.987 -7.871 1.00 0.00 N ATOM 367 CA CYS A 24 8.578 -6.785 -9.121 1.00 0.00 C ATOM 368 C CYS A 24 10.115 -6.699 -8.927 1.00 0.00 C ATOM 369 O CYS A 24 10.865 -6.536 -9.894 1.00 0.00 O ATOM 370 CB CYS A 24 7.930 -5.671 -9.966 1.00 0.00 C ATOM 371 SG CYS A 24 8.320 -3.970 -9.406 1.00 0.00 S ATOM 0 H CYS A 24 7.748 -6.145 -7.300 1.00 0.00 H new ATOM 0 HA CYS A 24 8.495 -7.691 -9.721 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.253 -5.783 -11.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.848 -5.805 -9.954 1.00 0.00 H new ATOM 376 N SER A 25 10.587 -6.894 -7.686 1.00 0.00 N ATOM 377 CA SER A 25 12.007 -6.955 -7.283 1.00 0.00 C ATOM 378 C SER A 25 12.820 -5.676 -7.566 1.00 0.00 C ATOM 379 O SER A 25 14.051 -5.708 -7.639 1.00 0.00 O ATOM 380 CB SER A 25 12.692 -8.224 -7.814 1.00 0.00 C ATOM 381 OG SER A 25 11.983 -9.391 -7.417 1.00 0.00 O ATOM 0 H SER A 25 9.958 -7.020 -6.893 1.00 0.00 H new ATOM 0 HA SER A 25 11.991 -7.016 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.750 -8.182 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.715 -8.272 -7.442 1.00 0.00 H new ATOM 0 HG SER A 25 12.437 -10.185 -7.768 1.00 0.00 H new ATOM 387 N GLU A 26 12.137 -4.538 -7.703 1.00 0.00 N ATOM 388 CA GLU A 26 12.719 -3.194 -7.814 1.00 0.00 C ATOM 389 C GLU A 26 12.702 -2.461 -6.453 1.00 0.00 C ATOM 390 O GLU A 26 12.394 -3.045 -5.413 1.00 0.00 O ATOM 391 CB GLU A 26 11.983 -2.424 -8.929 1.00 0.00 C ATOM 392 CG GLU A 26 12.342 -2.939 -10.330 1.00 0.00 C ATOM 393 CD GLU A 26 12.118 -1.870 -11.421 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.084 -1.160 -11.407 1.00 0.00 O ATOM 395 OE2 GLU A 26 12.993 -1.724 -12.310 1.00 0.00 O ATOM 0 H GLU A 26 11.118 -4.525 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 26 13.771 -3.264 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.907 -2.511 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.230 -1.365 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.385 -3.255 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.740 -3.819 -10.557 1.00 0.00 H new ATOM 402 N SER A 27 13.051 -1.175 -6.436 1.00 0.00 N ATOM 403 CA SER A 27 13.033 -0.305 -5.256 1.00 0.00 C ATOM 404 C SER A 27 11.898 0.706 -5.340 1.00 0.00 C ATOM 405 O SER A 27 11.380 0.985 -6.423 1.00 0.00 O ATOM 406 CB SER A 27 14.381 0.377 -5.110 1.00 0.00 C ATOM 407 OG SER A 27 14.445 1.160 -3.932 1.00 0.00 O ATOM 0 H SER A 27 13.367 -0.690 -7.276 1.00 0.00 H new ATOM 0 HA SER A 27 12.853 -0.910 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.170 -0.375 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.565 1.010 -5.978 1.00 0.00 H new ATOM 0 HG SER A 27 15.326 1.583 -3.868 1.00 0.00 H new ATOM 413 N ILE A 28 11.462 1.226 -4.195 1.00 0.00 N ATOM 414 CA ILE A 28 10.281 2.089 -4.118 1.00 0.00 C ATOM 415 C ILE A 28 10.717 3.571 -4.086 1.00 0.00 C ATOM 416 O ILE A 28 11.330 3.994 -3.101 1.00 0.00 O ATOM 417 CB ILE A 28 9.375 1.669 -2.942 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.976 0.172 -3.043 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.114 2.547 -2.933 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.231 -0.373 -1.820 1.00 0.00 C ATOM 0 H ILE A 28 11.914 1.063 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 28 9.668 1.969 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 28 9.929 1.805 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.350 0.035 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.877 -0.421 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.472 2.253 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.399 3.593 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.575 2.419 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.992 -1.425 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.861 -0.273 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.309 0.190 -1.675 1.00 0.00 H new ATOM 432 N PRO A 29 10.426 4.372 -5.136 1.00 0.00 N ATOM 433 CA PRO A 29 10.904 5.750 -5.252 1.00 0.00 C ATOM 434 C PRO A 29 10.229 6.688 -4.243 1.00 0.00 C ATOM 435 O PRO A 29 9.038 6.547 -3.951 1.00 0.00 O ATOM 436 CB PRO A 29 10.592 6.179 -6.691 1.00 0.00 C ATOM 437 CG PRO A 29 9.373 5.335 -7.055 1.00 0.00 C ATOM 438 CD PRO A 29 9.630 4.028 -6.308 1.00 0.00 C ATOM 0 HA PRO A 29 11.970 5.806 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.376 7.245 -6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.430 5.983 -7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.444 5.807 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.297 5.178 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.691 3.557 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.159 3.316 -6.942 1.00 0.00 H new ATOM 446 N LYS A 30 10.974 7.690 -3.760 1.00 0.00 N ATOM 447 CA LYS A 30 10.416 8.803 -2.971 1.00 0.00 C ATOM 448 C LYS A 30 9.592 9.773 -3.828 1.00 0.00 C ATOM 449 O LYS A 30 9.683 9.770 -5.057 1.00 0.00 O ATOM 450 CB LYS A 30 11.501 9.494 -2.129 1.00 0.00 C ATOM 451 CG LYS A 30 12.571 10.229 -2.950 1.00 0.00 C ATOM 452 CD LYS A 30 13.547 11.014 -2.060 1.00 0.00 C ATOM 453 CE LYS A 30 12.894 12.272 -1.467 1.00 0.00 C ATOM 454 NZ LYS A 30 13.737 12.876 -0.403 1.00 0.00 N ATOM 0 H LYS A 30 11.982 7.755 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 30 9.705 8.379 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.023 10.207 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.990 8.746 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.127 9.507 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.086 10.913 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.899 10.372 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.422 11.300 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.726 13.003 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.917 12.017 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.594 13.906 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.470 12.478 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.738 12.668 -0.593 1.00 0.00 H new ATOM 468 N ASP A 31 8.774 10.592 -3.166 1.00 0.00 N ATOM 469 CA ASP A 31 7.731 11.433 -3.777 1.00 0.00 C ATOM 470 C ASP A 31 6.717 10.617 -4.617 1.00 0.00 C ATOM 471 O ASP A 31 6.266 11.032 -5.687 1.00 0.00 O ATOM 472 CB ASP A 31 8.358 12.648 -4.490 1.00 0.00 C ATOM 473 CG ASP A 31 7.327 13.729 -4.867 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.460 14.069 -4.024 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.413 14.286 -5.989 1.00 0.00 O ATOM 0 H ASP A 31 8.817 10.695 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 31 7.111 11.850 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.117 13.089 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.866 12.309 -5.393 1.00 0.00 H new ATOM 480 N SER A 32 6.377 9.421 -4.120 1.00 0.00 N ATOM 481 CA SER A 32 5.389 8.490 -4.684 1.00 0.00 C ATOM 482 C SER A 32 4.623 7.758 -3.569 1.00 0.00 C ATOM 483 O SER A 32 4.883 7.978 -2.382 1.00 0.00 O ATOM 484 CB SER A 32 6.087 7.491 -5.618 1.00 0.00 C ATOM 485 OG SER A 32 5.144 6.942 -6.529 1.00 0.00 O ATOM 0 H SER A 32 6.806 9.057 -3.269 1.00 0.00 H new ATOM 0 HA SER A 32 4.662 9.060 -5.262 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.887 7.989 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.548 6.695 -5.034 1.00 0.00 H new ATOM 0 HG SER A 32 5.618 6.473 -7.248 1.00 0.00 H new ATOM 491 N LEU A 33 3.669 6.896 -3.929 1.00 0.00 N ATOM 492 CA LEU A 33 2.799 6.158 -3.014 1.00 0.00 C ATOM 493 C LEU A 33 3.215 4.675 -2.938 1.00 0.00 C ATOM 494 O LEU A 33 3.520 4.050 -3.959 1.00 0.00 O ATOM 495 CB LEU A 33 1.344 6.369 -3.483 1.00 0.00 C ATOM 496 CG LEU A 33 0.275 5.906 -2.481 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.189 6.824 -1.262 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.109 5.923 -3.130 1.00 0.00 C ATOM 0 H LEU A 33 3.475 6.685 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 33 2.890 6.529 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.193 7.428 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.198 5.836 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 33 0.567 4.902 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.580 6.456 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.150 6.838 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.065 7.834 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.854 5.592 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.345 6.936 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.116 5.253 -3.990 1.00 0.00 H new ATOM 510 N ARG A 34 3.204 4.102 -1.729 1.00 0.00 N ATOM 511 CA ARG A 34 3.578 2.708 -1.438 1.00 0.00 C ATOM 512 C ARG A 34 2.554 2.026 -0.537 1.00 0.00 C ATOM 513 O ARG A 34 1.801 2.691 0.172 1.00 0.00 O ATOM 514 CB ARG A 34 5.010 2.645 -0.872 1.00 0.00 C ATOM 515 CG ARG A 34 5.185 3.206 0.549 1.00 0.00 C ATOM 516 CD ARG A 34 6.486 2.741 1.222 1.00 0.00 C ATOM 517 NE ARG A 34 7.696 3.362 0.650 1.00 0.00 N ATOM 518 CZ ARG A 34 8.615 4.067 1.288 1.00 0.00 C ATOM 519 NH1 ARG A 34 8.487 4.471 2.520 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.710 4.393 0.659 1.00 0.00 N ATOM 0 H ARG A 34 2.924 4.614 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 34 3.573 2.145 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.338 1.606 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.672 3.191 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.173 4.295 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.336 2.901 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.438 2.970 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.566 1.658 1.132 1.00 0.00 H new ATOM 0 HE ARG A 34 7.840 3.233 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.642 4.246 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.232 5.013 2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.847 4.104 -0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.429 4.937 1.136 1.00 0.00 H new ATOM 534 N MET A 35 2.555 0.698 -0.554 1.00 0.00 N ATOM 535 CA MET A 35 1.729 -0.173 0.283 1.00 0.00 C ATOM 536 C MET A 35 2.563 -1.277 0.934 1.00 0.00 C ATOM 537 O MET A 35 3.668 -1.575 0.488 1.00 0.00 O ATOM 538 CB MET A 35 0.557 -0.765 -0.521 1.00 0.00 C ATOM 539 CG MET A 35 -0.508 0.288 -0.838 1.00 0.00 C ATOM 540 SD MET A 35 -1.986 -0.316 -1.702 1.00 0.00 S ATOM 541 CE MET A 35 -2.929 -1.004 -0.313 1.00 0.00 C ATOM 0 H MET A 35 3.161 0.171 -1.182 1.00 0.00 H new ATOM 0 HA MET A 35 1.312 0.439 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.934 -1.192 -1.451 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.105 -1.580 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.822 0.753 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.050 1.069 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.747 -1.614 -0.695 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.273 -1.620 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.334 -0.191 0.290 1.00 0.00 H new ATOM 551 N ALA A 36 2.043 -1.871 2.005 1.00 0.00 N ATOM 552 CA ALA A 36 2.657 -3.009 2.685 1.00 0.00 C ATOM 553 C ALA A 36 1.615 -4.033 3.155 1.00 0.00 C ATOM 554 O ALA A 36 0.424 -3.717 3.221 1.00 0.00 O ATOM 555 CB ALA A 36 3.536 -2.511 3.840 1.00 0.00 C ATOM 0 H ALA A 36 1.167 -1.570 2.433 1.00 0.00 H new ATOM 0 HA ALA A 36 3.291 -3.534 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.992 -3.363 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.318 -1.861 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.924 -1.955 4.550 1.00 0.00 H new ATOM 561 N ILE A 37 2.061 -5.244 3.507 1.00 0.00 N ATOM 562 CA ILE A 37 1.200 -6.340 3.972 1.00 0.00 C ATOM 563 C ILE A 37 1.736 -6.975 5.249 1.00 0.00 C ATOM 564 O ILE A 37 2.939 -7.172 5.391 1.00 0.00 O ATOM 565 CB ILE A 37 1.010 -7.366 2.834 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.307 -7.034 2.116 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.020 -8.835 3.282 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.462 -7.698 0.748 1.00 0.00 C ATOM 0 H ILE A 37 3.049 -5.496 3.476 1.00 0.00 H new ATOM 0 HA ILE A 37 0.221 -5.937 4.231 1.00 0.00 H new ATOM 0 HB ILE A 37 1.870 -7.276 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.140 -7.337 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.378 -5.953 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.880 -9.481 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.975 -9.065 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.212 -9.004 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.418 -7.411 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.348 -7.376 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.426 -8.781 0.863 1.00 0.00 H new ATOM 580 N MET A 38 0.832 -7.349 6.149 1.00 0.00 N ATOM 581 CA MET A 38 1.148 -8.034 7.398 1.00 0.00 C ATOM 582 C MET A 38 1.359 -9.537 7.182 1.00 0.00 C ATOM 583 O MET A 38 0.437 -10.254 6.787 1.00 0.00 O ATOM 584 CB MET A 38 0.035 -7.743 8.423 1.00 0.00 C ATOM 585 CG MET A 38 0.534 -7.129 9.734 1.00 0.00 C ATOM 586 SD MET A 38 0.871 -5.347 9.695 1.00 0.00 S ATOM 587 CE MET A 38 2.530 -5.384 8.983 1.00 0.00 C ATOM 0 H MET A 38 -0.166 -7.180 6.027 1.00 0.00 H new ATOM 0 HA MET A 38 2.092 -7.654 7.789 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.691 -7.067 7.972 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.490 -8.672 8.646 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.208 -7.322 10.509 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.447 -7.646 10.031 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.066 -4.477 9.262 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.068 -6.254 9.359 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.459 -5.443 7.897 1.00 0.00 H new ATOM 597 N VAL A 39 2.561 -10.022 7.500 1.00 0.00 N ATOM 598 CA VAL A 39 2.900 -11.460 7.531 1.00 0.00 C ATOM 599 C VAL A 39 3.709 -11.812 8.778 1.00 0.00 C ATOM 600 O VAL A 39 4.457 -10.989 9.297 1.00 0.00 O ATOM 601 CB VAL A 39 3.620 -11.890 6.237 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.977 -11.209 6.068 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.807 -13.407 6.121 1.00 0.00 C ATOM 0 H VAL A 39 3.346 -9.421 7.749 1.00 0.00 H new ATOM 0 HA VAL A 39 1.968 -12.023 7.584 1.00 0.00 H new ATOM 0 HB VAL A 39 2.954 -11.565 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.441 -11.547 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.840 -10.128 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.620 -11.465 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.320 -13.640 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.402 -13.766 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.833 -13.896 6.131 1.00 0.00 H new ATOM 613 N GLN A 40 3.557 -13.036 9.278 1.00 0.00 N ATOM 614 CA GLN A 40 4.343 -13.567 10.398 1.00 0.00 C ATOM 615 C GLN A 40 5.807 -13.833 9.995 1.00 0.00 C ATOM 616 O GLN A 40 6.085 -14.446 8.962 1.00 0.00 O ATOM 617 CB GLN A 40 3.655 -14.808 10.995 1.00 0.00 C ATOM 618 CG GLN A 40 3.122 -15.795 9.940 1.00 0.00 C ATOM 619 CD GLN A 40 2.667 -17.111 10.568 1.00 0.00 C ATOM 620 OE1 GLN A 40 3.375 -18.111 10.570 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.480 -17.169 11.137 1.00 0.00 N ATOM 0 H GLN A 40 2.874 -13.700 8.913 1.00 0.00 H new ATOM 0 HA GLN A 40 4.383 -12.809 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.363 -15.328 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.827 -14.484 11.626 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.288 -15.340 9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.901 -15.994 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.877 -16.346 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.164 -18.037 11.570 1.00 0.00 H new ATOM 630 N SER A 41 6.747 -13.376 10.824 1.00 0.00 N ATOM 631 CA SER A 41 8.195 -13.482 10.608 1.00 0.00 C ATOM 632 C SER A 41 8.827 -14.657 11.358 1.00 0.00 C ATOM 633 O SER A 41 8.539 -14.849 12.545 1.00 0.00 O ATOM 634 CB SER A 41 8.876 -12.185 11.039 1.00 0.00 C ATOM 635 OG SER A 41 10.286 -12.285 10.918 1.00 0.00 O ATOM 0 H SER A 41 6.514 -12.904 11.698 1.00 0.00 H new ATOM 0 HA SER A 41 8.343 -13.660 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.513 -11.359 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.612 -11.957 12.072 1.00 0.00 H new ATOM 0 HG SER A 41 10.706 -11.501 11.330 1.00 0.00 H new ATOM 641 N PRO A 42 9.761 -15.391 10.724 1.00 0.00 N ATOM 642 CA PRO A 42 10.617 -16.345 11.418 1.00 0.00 C ATOM 643 C PRO A 42 11.646 -15.708 12.374 1.00 0.00 C ATOM 644 O PRO A 42 12.211 -16.411 13.216 1.00 0.00 O ATOM 645 CB PRO A 42 11.322 -17.151 10.318 1.00 0.00 C ATOM 646 CG PRO A 42 10.433 -16.966 9.090 1.00 0.00 C ATOM 647 CD PRO A 42 9.888 -15.555 9.285 1.00 0.00 C ATOM 0 HA PRO A 42 10.002 -16.964 12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.331 -16.781 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.412 -18.203 10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.998 -17.058 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.635 -17.707 9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.562 -14.810 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.926 -15.432 8.788 1.00 0.00 H new ATOM 655 N MET A 43 11.921 -14.401 12.239 1.00 0.00 N ATOM 656 CA MET A 43 12.998 -13.685 12.949 1.00 0.00 C ATOM 657 C MET A 43 12.501 -12.698 14.023 1.00 0.00 C ATOM 658 O MET A 43 13.233 -12.417 14.975 1.00 0.00 O ATOM 659 CB MET A 43 13.875 -12.948 11.924 1.00 0.00 C ATOM 660 CG MET A 43 14.703 -13.921 11.070 1.00 0.00 C ATOM 661 SD MET A 43 14.932 -13.404 9.349 1.00 0.00 S ATOM 662 CE MET A 43 13.254 -13.742 8.750 1.00 0.00 C ATOM 0 H MET A 43 11.387 -13.795 11.616 1.00 0.00 H new ATOM 0 HA MET A 43 13.572 -14.440 13.486 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.243 -12.343 11.274 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.544 -12.263 12.445 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.682 -14.046 11.532 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.218 -14.897 11.081 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.271 -14.608 8.089 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.599 -13.945 9.597 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.881 -12.876 8.203 1.00 0.00 H new ATOM 672 N PHE A 44 11.276 -12.178 13.891 1.00 0.00 N ATOM 673 CA PHE A 44 10.643 -11.251 14.840 1.00 0.00 C ATOM 674 C PHE A 44 9.634 -11.974 15.760 1.00 0.00 C ATOM 675 O PHE A 44 9.259 -13.123 15.525 1.00 0.00 O ATOM 676 CB PHE A 44 10.036 -10.069 14.058 1.00 0.00 C ATOM 677 CG PHE A 44 9.392 -8.978 14.897 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.155 -8.262 15.840 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.020 -8.689 14.751 1.00 0.00 C ATOM 680 CE1 PHE A 44 9.547 -7.277 16.641 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.416 -7.699 15.545 1.00 0.00 C ATOM 682 CZ PHE A 44 8.177 -6.995 16.493 1.00 0.00 C ATOM 0 H PHE A 44 10.677 -12.397 13.095 1.00 0.00 H new ATOM 0 HA PHE A 44 11.394 -10.847 15.519 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.822 -9.618 13.452 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.287 -10.460 13.369 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.209 -8.469 15.949 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.431 -9.231 14.026 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.133 -6.737 17.370 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.365 -7.479 15.426 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.711 -6.239 17.107 1.00 0.00 H new ATOM 692 N ASP A 45 9.172 -11.293 16.811 1.00 0.00 N ATOM 693 CA ASP A 45 8.248 -11.815 17.835 1.00 0.00 C ATOM 694 C ASP A 45 6.775 -11.922 17.371 1.00 0.00 C ATOM 695 O ASP A 45 5.870 -12.184 18.165 1.00 0.00 O ATOM 696 CB ASP A 45 8.410 -10.961 19.106 1.00 0.00 C ATOM 697 CG ASP A 45 7.767 -11.604 20.348 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.245 -12.674 20.793 1.00 0.00 O ATOM 699 OD2 ASP A 45 6.793 -11.028 20.891 1.00 0.00 O ATOM 0 H ASP A 45 9.439 -10.324 16.984 1.00 0.00 H new ATOM 0 HA ASP A 45 8.519 -12.850 18.043 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.471 -10.799 19.296 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.963 -9.981 18.938 1.00 0.00 H new ATOM 704 N GLY A 46 6.514 -11.706 16.081 1.00 0.00 N ATOM 705 CA GLY A 46 5.191 -11.781 15.467 1.00 0.00 C ATOM 706 C GLY A 46 5.208 -11.324 14.010 1.00 0.00 C ATOM 707 O GLY A 46 5.759 -12.010 13.149 1.00 0.00 O ATOM 0 H GLY A 46 7.246 -11.465 15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.824 -12.806 15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.494 -11.163 16.032 1.00 0.00 H new ATOM 711 N LYS A 47 4.576 -10.182 13.721 1.00 0.00 N ATOM 712 CA LYS A 47 4.171 -9.757 12.376 1.00 0.00 C ATOM 713 C LYS A 47 5.037 -8.606 11.855 1.00 0.00 C ATOM 714 O LYS A 47 5.414 -7.714 12.615 1.00 0.00 O ATOM 715 CB LYS A 47 2.685 -9.366 12.414 1.00 0.00 C ATOM 716 CG LYS A 47 1.731 -10.500 12.854 1.00 0.00 C ATOM 717 CD LYS A 47 1.219 -11.378 11.705 1.00 0.00 C ATOM 718 CE LYS A 47 0.170 -10.675 10.829 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.176 -10.640 11.465 1.00 0.00 N ATOM 0 H LYS A 47 4.324 -9.505 14.441 1.00 0.00 H new ATOM 0 HA LYS A 47 4.316 -10.585 11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.562 -8.522 13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.388 -9.023 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.247 -11.132 13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.876 -10.060 13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.062 -11.678 11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.787 -12.290 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.497 -9.656 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.101 -11.187 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.860 -10.217 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.474 -11.608 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.135 -10.071 12.334 1.00 0.00 H new ATOM 733 N VAL A 48 5.326 -8.619 10.554 1.00 0.00 N ATOM 734 CA VAL A 48 6.170 -7.639 9.846 1.00 0.00 C ATOM 735 C VAL A 48 5.526 -7.161 8.531 1.00 0.00 C ATOM 736 O VAL A 48 4.743 -7.912 7.940 1.00 0.00 O ATOM 737 CB VAL A 48 7.578 -8.205 9.552 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.345 -8.489 10.850 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.562 -9.473 8.686 1.00 0.00 C ATOM 0 H VAL A 48 4.965 -9.342 9.932 1.00 0.00 H new ATOM 0 HA VAL A 48 6.265 -6.784 10.515 1.00 0.00 H new ATOM 0 HB VAL A 48 8.086 -7.427 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.331 -8.886 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.454 -7.565 11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.795 -9.218 11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.584 -9.814 8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.997 -10.254 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.093 -9.253 7.727 1.00 0.00 H new ATOM 749 N PRO A 49 5.836 -5.938 8.048 1.00 0.00 N ATOM 750 CA PRO A 49 5.323 -5.418 6.781 1.00 0.00 C ATOM 751 C PRO A 49 6.148 -5.867 5.559 1.00 0.00 C ATOM 752 O PRO A 49 7.377 -5.762 5.552 1.00 0.00 O ATOM 753 CB PRO A 49 5.342 -3.893 6.937 1.00 0.00 C ATOM 754 CG PRO A 49 6.532 -3.653 7.866 1.00 0.00 C ATOM 755 CD PRO A 49 6.535 -4.882 8.775 1.00 0.00 C ATOM 0 HA PRO A 49 4.323 -5.805 6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.472 -3.392 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.413 -3.520 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.464 -3.565 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.415 -2.732 8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.554 -5.185 9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.037 -4.667 9.720 1.00 0.00 H new ATOM 763 N HIS A 50 5.478 -6.325 4.495 1.00 0.00 N ATOM 764 CA HIS A 50 6.067 -6.617 3.176 1.00 0.00 C ATOM 765 C HIS A 50 5.691 -5.516 2.200 1.00 0.00 C ATOM 766 O HIS A 50 4.517 -5.390 1.877 1.00 0.00 O ATOM 767 CB HIS A 50 5.606 -8.002 2.687 1.00 0.00 C ATOM 768 CG HIS A 50 6.452 -9.122 3.234 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.786 -10.303 2.565 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.025 -9.137 4.469 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.545 -11.005 3.425 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.729 -10.316 4.565 1.00 0.00 N ATOM 0 H HIS A 50 4.475 -6.510 4.526 1.00 0.00 H new ATOM 0 HA HIS A 50 7.154 -6.644 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.568 -8.159 2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.637 -8.027 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.943 -8.372 5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.951 -11.986 3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.292 -10.615 5.362 1.00 0.00 H new ATOM 780 N TRP A 51 6.662 -4.702 1.782 1.00 0.00 N ATOM 781 CA TRP A 51 6.436 -3.466 1.036 1.00 0.00 C ATOM 782 C TRP A 51 6.344 -3.694 -0.472 1.00 0.00 C ATOM 783 O TRP A 51 7.050 -4.517 -1.050 1.00 0.00 O ATOM 784 CB TRP A 51 7.567 -2.483 1.337 1.00 0.00 C ATOM 785 CG TRP A 51 7.644 -2.049 2.763 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.473 -2.554 3.705 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.847 -1.026 3.430 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.243 -1.920 4.909 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.242 -0.977 4.801 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.821 -0.147 3.015 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.645 -0.106 5.722 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.222 0.737 3.932 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.629 0.755 5.279 1.00 0.00 C ATOM 0 H TRP A 51 7.649 -4.889 1.957 1.00 0.00 H new ATOM 0 HA TRP A 51 5.476 -3.061 1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.515 -2.943 1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.443 -1.602 0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.202 -3.333 3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.750 -2.123 5.771 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.494 -0.154 1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.961 -0.097 6.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.443 1.407 3.599 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.158 1.434 5.974 1.00 0.00 H new ATOM 804 N TYR A 52 5.521 -2.900 -1.138 1.00 0.00 N ATOM 805 CA TYR A 52 5.455 -2.858 -2.588 1.00 0.00 C ATOM 806 C TYR A 52 5.070 -1.453 -3.068 1.00 0.00 C ATOM 807 O TYR A 52 4.521 -0.639 -2.316 1.00 0.00 O ATOM 808 CB TYR A 52 4.516 -3.949 -3.150 1.00 0.00 C ATOM 809 CG TYR A 52 4.128 -5.146 -2.290 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.220 -5.016 -1.218 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.626 -6.419 -2.625 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.823 -6.154 -0.485 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.222 -7.557 -1.903 1.00 0.00 C ATOM 814 CZ TYR A 52 3.328 -7.429 -0.826 1.00 0.00 C ATOM 815 OH TYR A 52 2.962 -8.543 -0.135 1.00 0.00 O ATOM 0 H TYR A 52 4.873 -2.259 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 52 6.447 -3.079 -2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.592 -3.456 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.980 -4.339 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.828 -4.044 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.324 -6.523 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.132 -6.051 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.600 -8.531 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 52 3.411 -9.326 -0.516 1.00 0.00 H new ATOM 825 N HIS A 53 5.339 -1.166 -4.343 1.00 0.00 N ATOM 826 CA HIS A 53 4.759 -0.008 -5.039 1.00 0.00 C ATOM 827 C HIS A 53 3.223 0.002 -4.883 1.00 0.00 C ATOM 828 O HIS A 53 2.616 -1.070 -4.812 1.00 0.00 O ATOM 829 CB HIS A 53 5.123 -0.085 -6.531 1.00 0.00 C ATOM 830 CG HIS A 53 6.601 -0.076 -6.853 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.360 -1.095 -7.443 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.416 0.999 -6.651 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.595 -0.601 -7.597 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.658 0.652 -7.134 1.00 0.00 N ATOM 0 H HIS A 53 5.963 -1.726 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 53 5.159 0.907 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.686 -0.994 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.654 0.755 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.140 1.941 -6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.424 -1.139 -8.034 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.485 1.249 -7.138 1.00 0.00 H new ATOM 842 N PHE A 54 2.570 1.173 -4.894 1.00 0.00 N ATOM 843 CA PHE A 54 1.096 1.234 -4.830 1.00 0.00 C ATOM 844 C PHE A 54 0.426 0.407 -5.949 1.00 0.00 C ATOM 845 O PHE A 54 -0.596 -0.234 -5.720 1.00 0.00 O ATOM 846 CB PHE A 54 0.608 2.691 -4.894 1.00 0.00 C ATOM 847 CG PHE A 54 -0.900 2.808 -5.076 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.767 2.429 -4.034 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.440 3.219 -6.311 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.158 2.421 -4.234 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.834 3.236 -6.500 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.690 2.826 -5.466 1.00 0.00 C ATOM 0 H PHE A 54 3.029 2.082 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 54 0.805 0.797 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.899 3.206 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.108 3.200 -5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.361 2.143 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.783 3.521 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.817 2.103 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.246 3.565 -7.442 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.759 2.823 -5.620 1.00 0.00 H new ATOM 862 N SER A 55 1.034 0.366 -7.142 1.00 0.00 N ATOM 863 CA SER A 55 0.572 -0.423 -8.289 1.00 0.00 C ATOM 864 C SER A 55 0.690 -1.933 -8.031 1.00 0.00 C ATOM 865 O SER A 55 -0.192 -2.705 -8.412 1.00 0.00 O ATOM 866 CB SER A 55 1.419 -0.001 -9.498 1.00 0.00 C ATOM 867 OG SER A 55 1.132 -0.755 -10.662 1.00 0.00 O ATOM 0 H SER A 55 1.883 0.895 -7.340 1.00 0.00 H new ATOM 0 HA SER A 55 -0.486 -0.232 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.248 1.056 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.475 -0.111 -9.251 1.00 0.00 H new ATOM 0 HG SER A 55 1.575 -0.346 -11.434 1.00 0.00 H new ATOM 873 N CYS A 56 1.759 -2.354 -7.349 1.00 0.00 N ATOM 874 CA CYS A 56 2.148 -3.749 -7.200 1.00 0.00 C ATOM 875 C CYS A 56 1.323 -4.543 -6.173 1.00 0.00 C ATOM 876 O CYS A 56 1.116 -5.740 -6.365 1.00 0.00 O ATOM 877 CB CYS A 56 3.646 -3.818 -6.908 1.00 0.00 C ATOM 878 SG CYS A 56 4.607 -3.293 -8.374 1.00 0.00 S ATOM 0 H CYS A 56 2.392 -1.711 -6.874 1.00 0.00 H new ATOM 0 HA CYS A 56 1.927 -4.245 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.887 -3.178 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.922 -4.835 -6.629 1.00 0.00 H new ATOM 883 N PHE A 57 0.811 -3.906 -5.115 1.00 0.00 N ATOM 884 CA PHE A 57 -0.119 -4.527 -4.155 1.00 0.00 C ATOM 885 C PHE A 57 -1.264 -5.268 -4.875 1.00 0.00 C ATOM 886 O PHE A 57 -1.568 -6.427 -4.585 1.00 0.00 O ATOM 887 CB PHE A 57 -0.677 -3.428 -3.241 1.00 0.00 C ATOM 888 CG PHE A 57 -1.665 -3.926 -2.201 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.998 -4.198 -2.568 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.262 -4.113 -0.865 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.912 -4.682 -1.621 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.194 -4.545 0.095 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.514 -4.847 -0.285 1.00 0.00 C ATOM 0 H PHE A 57 1.030 -2.934 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 57 0.418 -5.269 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.153 -2.938 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.165 -2.672 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.318 -4.032 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.238 -3.925 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.921 -4.927 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.895 -4.645 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.220 -5.205 0.450 1.00 0.00 H new ATOM 903 N TRP A 58 -1.856 -4.620 -5.881 1.00 0.00 N ATOM 904 CA TRP A 58 -2.965 -5.159 -6.672 1.00 0.00 C ATOM 905 C TRP A 58 -2.524 -6.220 -7.700 1.00 0.00 C ATOM 906 O TRP A 58 -3.358 -6.982 -8.191 1.00 0.00 O ATOM 907 CB TRP A 58 -3.721 -3.988 -7.313 1.00 0.00 C ATOM 908 CG TRP A 58 -3.972 -2.832 -6.383 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.229 -1.704 -6.333 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.957 -2.700 -5.307 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.645 -0.910 -5.283 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.715 -1.469 -4.618 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.017 -3.504 -4.830 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.500 -1.050 -3.531 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.800 -3.096 -3.734 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.546 -1.869 -3.094 1.00 0.00 C ATOM 0 H TRP A 58 -1.572 -3.686 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.637 -5.700 -6.006 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.154 -3.631 -8.173 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.677 -4.351 -7.690 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.428 -1.460 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.214 -0.021 -5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.229 -4.446 -5.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.299 -0.109 -3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.601 -3.729 -3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.161 -1.559 -2.262 1.00 0.00 H new ATOM 927 N LYS A 59 -1.212 -6.335 -7.972 1.00 0.00 N ATOM 928 CA LYS A 59 -0.595 -7.448 -8.726 1.00 0.00 C ATOM 929 C LYS A 59 -0.384 -8.681 -7.840 1.00 0.00 C ATOM 930 O LYS A 59 -0.420 -9.802 -8.346 1.00 0.00 O ATOM 931 CB LYS A 59 0.739 -7.030 -9.367 1.00 0.00 C ATOM 932 CG LYS A 59 0.592 -5.814 -10.284 1.00 0.00 C ATOM 933 CD LYS A 59 1.959 -5.276 -10.723 1.00 0.00 C ATOM 934 CE LYS A 59 1.754 -3.815 -11.117 1.00 0.00 C ATOM 935 NZ LYS A 59 3.003 -3.023 -11.008 1.00 0.00 N ATOM 0 H LYS A 59 -0.531 -5.640 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.292 -7.709 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.461 -6.804 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.141 -7.866 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.008 -6.087 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.040 -5.030 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.685 -5.360 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.349 -5.851 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.383 -3.766 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.989 -3.373 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.768 -2.029 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.586 -3.399 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.532 -3.085 -11.901 1.00 0.00 H new ATOM 949 N VAL A 60 -0.191 -8.498 -6.524 1.00 0.00 N ATOM 950 CA VAL A 60 -0.269 -9.604 -5.540 1.00 0.00 C ATOM 951 C VAL A 60 -1.720 -10.106 -5.418 1.00 0.00 C ATOM 952 O VAL A 60 -1.955 -11.303 -5.250 1.00 0.00 O ATOM 953 CB VAL A 60 0.285 -9.209 -4.152 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.476 -10.441 -3.257 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.649 -8.518 -4.218 1.00 0.00 C ATOM 0 H VAL A 60 0.022 -7.591 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 60 0.364 -10.409 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.459 -8.523 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.867 -10.130 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.482 -10.942 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.179 -11.128 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.979 -8.268 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.374 -9.187 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.567 -7.606 -4.810 1.00 0.00 H new ATOM 965 N GLY A 61 -2.696 -9.206 -5.586 1.00 0.00 N ATOM 966 CA GLY A 61 -4.111 -9.543 -5.794 1.00 0.00 C ATOM 967 C GLY A 61 -4.961 -9.637 -4.520 1.00 0.00 C ATOM 968 O GLY A 61 -6.038 -10.237 -4.549 1.00 0.00 O ATOM 0 H GLY A 61 -2.521 -8.201 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.553 -8.793 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.166 -10.497 -6.318 1.00 0.00 H new ATOM 972 N HIS A 62 -4.501 -9.060 -3.405 1.00 0.00 N ATOM 973 CA HIS A 62 -5.288 -8.960 -2.167 1.00 0.00 C ATOM 974 C HIS A 62 -6.473 -7.995 -2.321 1.00 0.00 C ATOM 975 O HIS A 62 -6.376 -6.976 -3.012 1.00 0.00 O ATOM 976 CB HIS A 62 -4.388 -8.567 -0.989 1.00 0.00 C ATOM 977 CG HIS A 62 -3.484 -9.694 -0.555 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.828 -10.709 0.343 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.218 -9.915 -1.006 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.751 -11.510 0.422 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.770 -11.058 -0.379 1.00 0.00 N ATOM 0 H HIS A 62 -3.571 -8.648 -3.333 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.710 -9.943 -1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.781 -7.706 -1.270 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.009 -8.258 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.672 -9.312 -1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.683 -12.392 1.041 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.853 -11.487 -0.502 1.00 0.00 H new ATOM 989 N SER A 63 -7.592 -8.318 -1.668 1.00 0.00 N ATOM 990 CA SER A 63 -8.846 -7.549 -1.717 1.00 0.00 C ATOM 991 C SER A 63 -9.124 -6.833 -0.398 1.00 0.00 C ATOM 992 O SER A 63 -8.839 -7.349 0.685 1.00 0.00 O ATOM 993 CB SER A 63 -10.030 -8.449 -2.090 1.00 0.00 C ATOM 994 OG SER A 63 -9.868 -8.988 -3.393 1.00 0.00 O ATOM 0 H SER A 63 -7.656 -9.144 -1.073 1.00 0.00 H new ATOM 0 HA SER A 63 -8.725 -6.791 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.118 -9.259 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.956 -7.876 -2.042 1.00 0.00 H new ATOM 0 HG SER A 63 -10.634 -9.560 -3.608 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.702 -5.637 -0.498 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.921 -4.712 0.617 1.00 0.00 C ATOM 1002 C ILE A 64 -11.379 -4.238 0.570 1.00 0.00 C ATOM 1003 O ILE A 64 -11.879 -3.870 -0.496 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.914 -3.538 0.560 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.484 -3.947 0.127 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.896 -2.833 1.924 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.439 -2.831 0.258 1.00 0.00 C ATOM 0 H ILE A 64 -10.043 -5.271 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.748 -5.213 1.569 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.257 -2.858 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.165 -4.799 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.513 -4.281 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.189 -2.004 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.892 -2.453 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.593 -3.541 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.467 -3.203 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.730 -1.985 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.377 -2.511 1.298 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.076 -4.291 1.711 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.542 -4.118 1.823 1.00 0.00 C ATOM 1021 C ARG A 65 -13.959 -3.029 2.817 1.00 0.00 C ATOM 1022 O ARG A 65 -15.048 -2.470 2.689 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.241 -5.471 2.106 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.524 -6.405 3.102 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.513 -7.337 2.413 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.308 -7.534 3.235 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.464 -8.545 3.209 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.618 -9.587 2.440 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.434 -8.504 3.995 1.00 0.00 N ATOM 0 H ARG A 65 -11.629 -4.460 2.612 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.885 -3.759 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.243 -5.268 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.359 -6.001 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.008 -5.804 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.265 -7.005 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.982 -8.301 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.231 -6.918 1.447 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.101 -6.796 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.424 -9.647 1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.932 -10.342 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.294 -7.703 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.763 -9.272 3.997 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.080 -2.674 3.754 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.174 -1.482 4.606 1.00 0.00 C ATOM 1045 C HIS A 66 -11.791 -0.826 4.733 1.00 0.00 C ATOM 1046 O HIS A 66 -11.164 -0.878 5.790 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.914 -1.766 5.935 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.468 -2.905 6.836 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.559 -2.896 8.233 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -13.101 -4.161 6.451 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.196 -4.125 8.643 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.911 -4.904 7.591 1.00 0.00 N ATOM 0 H HIS A 66 -12.248 -3.230 3.951 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.812 -0.736 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.874 -0.852 6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.961 -1.941 5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.982 -4.508 5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.142 -4.439 9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.607 -5.877 7.630 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.263 -0.231 3.642 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.863 0.184 3.551 1.00 0.00 C ATOM 1062 C PRO A 67 -9.446 1.245 4.571 1.00 0.00 C ATOM 1063 O PRO A 67 -8.315 1.213 5.041 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.665 0.697 2.115 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.078 1.071 1.685 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.930 0.014 2.371 1.00 0.00 C ATOM 0 HA PRO A 67 -9.226 -0.669 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.993 1.555 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.236 -0.069 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.346 2.077 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.192 1.042 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.951 0.365 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.990 -0.896 1.773 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.349 2.128 4.995 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.079 3.113 6.048 1.00 0.00 C ATOM 1076 C ASP A 68 -9.925 2.484 7.449 1.00 0.00 C ATOM 1077 O ASP A 68 -9.494 3.155 8.390 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.126 4.235 5.990 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.569 3.716 6.028 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.098 3.384 4.938 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.170 3.650 7.125 1.00 0.00 O ATOM 0 H ASP A 68 -11.295 2.183 4.617 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.103 3.557 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.969 4.914 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.979 4.814 5.078 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.235 1.188 7.577 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.992 0.351 8.759 1.00 0.00 C ATOM 1088 C VAL A 69 -8.813 -0.611 8.543 1.00 0.00 C ATOM 1089 O VAL A 69 -7.979 -0.782 9.433 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.260 -0.447 9.130 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.111 -1.133 10.493 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.516 0.436 9.175 1.00 0.00 C ATOM 0 H VAL A 69 -10.684 0.669 6.822 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.736 1.019 9.581 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.377 -1.194 8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.022 -1.686 10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.266 -1.821 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.939 -0.380 11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.380 -0.173 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.383 1.221 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.678 0.888 8.197 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.726 -1.242 7.366 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.767 -2.328 7.077 1.00 0.00 C ATOM 1104 C GLU A 70 -6.391 -1.834 6.613 1.00 0.00 C ATOM 1105 O GLU A 70 -5.375 -2.460 6.925 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.334 -3.263 5.990 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.649 -3.963 6.343 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.125 -4.843 5.173 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.770 -4.334 4.224 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.871 -6.069 5.196 1.00 0.00 O ATOM 0 H GLU A 70 -9.326 -1.013 6.573 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.628 -2.853 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.484 -2.683 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.587 -4.024 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.513 -4.576 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.411 -3.220 6.580 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.361 -0.725 5.874 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.158 -0.052 5.373 1.00 0.00 C ATOM 1119 C VAL A 71 -4.715 0.976 6.399 1.00 0.00 C ATOM 1120 O VAL A 71 -5.184 2.111 6.464 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.376 0.547 3.983 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.017 0.969 3.457 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.938 -0.493 3.009 1.00 0.00 C ATOM 0 H VAL A 71 -7.217 -0.246 5.593 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.357 -0.780 5.244 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.079 1.377 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.130 1.403 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.581 1.708 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.363 0.099 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.081 -0.035 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.239 -1.325 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.894 -0.861 3.381 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.765 0.548 7.212 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.050 1.391 8.152 1.00 0.00 C ATOM 1135 C ASP A 72 -2.250 2.481 7.410 1.00 0.00 C ATOM 1136 O ASP A 72 -1.720 2.252 6.326 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.189 0.437 8.973 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.391 1.150 10.059 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.970 1.451 11.127 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.175 1.360 9.855 1.00 0.00 O ATOM 0 H ASP A 72 -3.461 -0.425 7.236 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.711 1.951 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.827 -0.317 9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.502 -0.088 8.309 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.202 3.695 7.953 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.518 4.852 7.354 1.00 0.00 C ATOM 1147 C GLY A 73 -2.350 5.632 6.323 1.00 0.00 C ATOM 1148 O GLY A 73 -2.021 6.778 6.022 1.00 0.00 O ATOM 0 H GLY A 73 -2.647 3.913 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.222 5.534 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.602 4.506 6.874 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.489 5.091 5.869 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.480 5.775 5.016 1.00 0.00 C ATOM 1154 C PHE A 74 -4.953 7.111 5.616 1.00 0.00 C ATOM 1155 O PHE A 74 -5.209 8.070 4.888 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.668 4.814 4.854 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.859 5.329 4.067 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.894 6.019 4.731 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -6.967 5.068 2.688 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -9.030 6.442 4.021 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.112 5.481 1.983 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.144 6.161 2.650 1.00 0.00 C ATOM 0 H PHE A 74 -3.758 4.133 6.091 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.025 6.021 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.308 3.906 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.014 4.530 5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.813 6.223 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.172 4.551 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.815 6.983 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.198 5.275 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.026 6.468 2.108 1.00 0.00 H new ATOM 1172 N SER A 75 -5.002 7.211 6.945 1.00 0.00 N ATOM 1173 CA SER A 75 -5.339 8.436 7.688 1.00 0.00 C ATOM 1174 C SER A 75 -4.349 9.595 7.474 1.00 0.00 C ATOM 1175 O SER A 75 -4.677 10.744 7.771 1.00 0.00 O ATOM 1176 CB SER A 75 -5.414 8.115 9.185 1.00 0.00 C ATOM 1177 OG SER A 75 -6.324 7.050 9.425 1.00 0.00 O ATOM 0 H SER A 75 -4.803 6.420 7.557 1.00 0.00 H new ATOM 0 HA SER A 75 -6.300 8.773 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.425 7.845 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.729 9.001 9.737 1.00 0.00 H new ATOM 0 HG SER A 75 -6.357 6.858 10.385 1.00 0.00 H new ATOM 1183 N GLU A 76 -3.148 9.321 6.951 1.00 0.00 N ATOM 1184 CA GLU A 76 -2.107 10.318 6.644 1.00 0.00 C ATOM 1185 C GLU A 76 -2.102 10.762 5.165 1.00 0.00 C ATOM 1186 O GLU A 76 -1.412 11.722 4.812 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.724 9.781 7.057 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.660 9.344 8.529 1.00 0.00 C ATOM 1189 CD GLU A 76 0.790 9.046 8.957 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.513 9.991 9.360 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.214 7.866 8.911 1.00 0.00 O ATOM 0 H GLU A 76 -2.861 8.369 6.721 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.343 11.209 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.466 8.934 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.026 10.552 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.076 10.128 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.275 8.456 8.675 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.876 10.097 4.296 1.00 0.00 N ATOM 1199 CA LEU A 77 -3.052 10.474 2.888 1.00 0.00 C ATOM 1200 C LEU A 77 -3.984 11.693 2.750 1.00 0.00 C ATOM 1201 O LEU A 77 -4.925 11.866 3.530 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.595 9.281 2.074 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.567 8.246 1.581 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.638 7.690 2.657 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.331 7.086 0.938 1.00 0.00 C ATOM 0 H LEU A 77 -3.407 9.266 4.558 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.076 10.752 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.333 8.761 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.122 9.675 1.205 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.918 8.769 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.953 6.970 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.068 8.505 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.229 7.197 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.623 6.338 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.994 6.634 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.920 7.458 0.100 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.765 12.508 1.711 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.718 13.540 1.267 1.00 0.00 C ATOM 1219 C ARG A 78 -5.975 12.918 0.664 1.00 0.00 C ATOM 1220 O ARG A 78 -5.962 11.777 0.196 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.045 14.515 0.276 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.413 15.727 0.982 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.463 16.726 1.500 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.163 17.413 0.394 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.312 18.064 0.458 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.989 18.173 1.567 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.814 18.619 -0.607 1.00 0.00 N ATOM 0 H ARG A 78 -2.915 12.472 1.148 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.027 14.109 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.277 13.984 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.784 14.863 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.805 15.380 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.743 16.237 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.190 16.200 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.978 17.465 2.137 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.710 17.381 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.635 17.748 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.872 18.683 1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.321 18.553 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.701 19.120 -0.551 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.054 13.700 0.633 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.373 13.269 0.157 1.00 0.00 C ATOM 1243 C TRP A 79 -8.321 12.646 -1.251 1.00 0.00 C ATOM 1244 O TRP A 79 -8.900 11.587 -1.467 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.363 14.445 0.275 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.329 14.632 -0.855 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.570 14.104 -0.954 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.126 15.406 -2.074 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.146 14.497 -2.150 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.293 15.294 -2.886 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.059 16.181 -2.571 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.394 15.924 -4.136 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.146 16.813 -3.827 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.310 16.687 -4.609 1.00 0.00 C ATOM 0 H TRP A 79 -7.038 14.671 0.944 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.733 12.460 0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.936 14.316 1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.787 15.364 0.385 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.040 13.473 -0.214 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.084 14.231 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.162 16.292 -1.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.292 15.825 -4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.315 17.398 -4.192 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.371 17.175 -5.570 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.554 13.214 -2.185 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.432 12.702 -3.561 1.00 0.00 C ATOM 1267 C ASP A 80 -6.763 11.315 -3.651 1.00 0.00 C ATOM 1268 O ASP A 80 -7.066 10.532 -4.552 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.671 13.734 -4.403 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.626 13.354 -5.894 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.688 13.389 -6.561 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.523 13.059 -6.413 1.00 0.00 O ATOM 0 H ASP A 80 -6.994 14.049 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.440 12.558 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.145 14.709 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.653 13.829 -4.024 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.869 10.991 -2.714 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.186 9.700 -2.634 1.00 0.00 C ATOM 1279 C ASP A 81 -6.031 8.693 -1.860 1.00 0.00 C ATOM 1280 O ASP A 81 -6.156 7.557 -2.306 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.790 9.853 -2.016 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.808 10.508 -2.992 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.505 9.887 -4.040 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.313 11.618 -2.691 1.00 0.00 O ATOM 0 H ASP A 81 -5.594 11.635 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.055 9.319 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.857 10.454 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.413 8.874 -1.722 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.697 9.109 -0.777 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.705 8.307 -0.084 1.00 0.00 C ATOM 1291 C GLN A 82 -8.804 7.855 -1.054 1.00 0.00 C ATOM 1292 O GLN A 82 -9.056 6.659 -1.185 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.311 9.120 1.072 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.351 9.249 2.262 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.952 10.023 3.438 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.911 10.777 3.320 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.405 9.873 4.623 1.00 0.00 N ATOM 0 H GLN A 82 -6.547 10.025 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.225 7.416 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.576 10.114 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.234 8.644 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.064 8.253 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.440 9.749 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.606 9.250 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.779 10.380 5.425 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.395 8.782 -1.812 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.425 8.486 -2.814 1.00 0.00 C ATOM 1308 C GLN A 83 -9.933 7.525 -3.906 1.00 0.00 C ATOM 1309 O GLN A 83 -10.712 6.696 -4.370 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.910 9.798 -3.455 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.736 10.686 -2.509 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.126 10.121 -2.229 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -14.050 10.237 -3.025 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -13.335 9.477 -1.098 1.00 0.00 N ATOM 0 H GLN A 83 -9.169 9.774 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.246 7.988 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.045 10.362 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.511 9.561 -4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.200 10.802 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.834 11.680 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.577 9.371 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.255 9.085 -0.897 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.649 7.571 -4.283 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.034 6.728 -5.309 1.00 0.00 C ATOM 1325 C LYS A 84 -7.666 5.361 -4.741 1.00 0.00 C ATOM 1326 O LYS A 84 -7.847 4.369 -5.436 1.00 0.00 O ATOM 1327 CB LYS A 84 -6.857 7.527 -5.894 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.908 6.780 -6.839 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.748 6.085 -6.107 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.845 6.976 -5.240 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.214 8.088 -6.000 1.00 0.00 N ATOM 0 H LYS A 84 -7.986 8.223 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.721 6.494 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.263 8.384 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.269 7.920 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.474 6.035 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.501 7.483 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.166 5.304 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.124 5.590 -6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.434 7.392 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.064 6.363 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.817 8.782 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.454 7.710 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.929 8.551 -6.597 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.231 5.264 -3.483 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.016 3.971 -2.796 1.00 0.00 C ATOM 1347 C VAL A 85 -8.355 3.253 -2.597 1.00 0.00 C ATOM 1348 O VAL A 85 -8.459 2.070 -2.921 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.267 4.159 -1.457 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.187 2.872 -0.620 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.823 4.628 -1.673 1.00 0.00 C ATOM 0 H VAL A 85 -7.015 6.076 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.383 3.347 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.852 4.909 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.649 3.073 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.194 2.526 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.661 2.103 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.331 4.748 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.285 3.888 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.825 5.582 -2.200 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.413 3.964 -2.172 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.771 3.396 -2.066 1.00 0.00 C ATOM 1363 C LYS A 86 -11.339 3.015 -3.439 1.00 0.00 C ATOM 1364 O LYS A 86 -11.833 1.899 -3.593 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.714 4.332 -1.280 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.247 4.516 0.178 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.312 5.022 1.166 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.445 4.008 1.343 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.263 4.277 2.555 1.00 0.00 N ATOM 0 H LYS A 86 -9.354 4.943 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.695 2.470 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.758 5.303 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.724 3.923 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.867 3.561 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.411 5.215 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.847 5.221 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.721 5.967 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.087 4.028 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.024 3.005 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.179 3.793 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.763 3.926 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.420 5.301 2.648 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.168 3.860 -4.465 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.533 3.541 -5.862 1.00 0.00 C ATOM 1385 C LYS A 87 -10.796 2.304 -6.367 1.00 0.00 C ATOM 1386 O LYS A 87 -11.418 1.426 -6.953 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.248 4.758 -6.764 1.00 0.00 C ATOM 1388 CG LYS A 87 -11.603 4.579 -8.249 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.115 4.458 -8.466 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.432 4.357 -9.963 1.00 0.00 C ATOM 1391 NZ LYS A 87 -14.894 4.259 -10.208 1.00 0.00 N ATOM 0 H LYS A 87 -10.770 4.792 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.599 3.314 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.802 5.613 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.189 5.004 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.222 5.427 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.109 3.688 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.494 3.578 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.621 5.323 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.034 5.231 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.933 3.484 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.071 4.192 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.269 3.412 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.367 5.104 -9.829 1.00 0.00 H new ATOM 1405 N THR A 88 -9.499 2.190 -6.092 1.00 0.00 N ATOM 1406 CA THR A 88 -8.673 1.049 -6.503 1.00 0.00 C ATOM 1407 C THR A 88 -9.053 -0.243 -5.770 1.00 0.00 C ATOM 1408 O THR A 88 -9.015 -1.314 -6.374 1.00 0.00 O ATOM 1409 CB THR A 88 -7.179 1.364 -6.365 1.00 0.00 C ATOM 1410 OG1 THR A 88 -6.867 2.528 -7.100 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.328 0.281 -7.005 1.00 0.00 C ATOM 0 H THR A 88 -8.981 2.896 -5.570 1.00 0.00 H new ATOM 0 HA THR A 88 -8.877 0.874 -7.559 1.00 0.00 H new ATOM 0 HB THR A 88 -6.979 1.461 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.145 3.319 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.273 0.532 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.528 -0.674 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.571 0.206 -8.065 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.517 -0.159 -4.520 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.039 -1.294 -3.766 1.00 0.00 C ATOM 1421 C ALA A 89 -11.397 -1.765 -4.318 1.00 0.00 C ATOM 1422 O ALA A 89 -11.654 -2.968 -4.374 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.123 -0.899 -2.288 1.00 0.00 C ATOM 0 H ALA A 89 -9.539 0.717 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.365 -2.144 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.512 -1.737 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.129 -0.637 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.788 -0.042 -2.178 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.234 -0.840 -4.804 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.464 -1.184 -5.532 1.00 0.00 C ATOM 1431 C GLU A 90 -13.179 -1.744 -6.940 1.00 0.00 C ATOM 1432 O GLU A 90 -13.872 -2.651 -7.408 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.406 0.028 -5.631 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.976 0.463 -4.276 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.034 1.569 -4.458 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.664 2.760 -4.587 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.250 1.252 -4.469 1.00 0.00 O ATOM 0 H GLU A 90 -12.080 0.163 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.952 -1.970 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.866 0.864 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.229 -0.214 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.422 -0.394 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.171 0.825 -3.637 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.143 -1.227 -7.606 1.00 0.00 N ATOM 1445 CA ALA A 91 -11.723 -1.601 -8.957 1.00 0.00 C ATOM 1446 C ALA A 91 -10.938 -2.932 -9.019 1.00 0.00 C ATOM 1447 O ALA A 91 -10.895 -3.579 -10.069 1.00 0.00 O ATOM 1448 CB ALA A 91 -10.888 -0.433 -9.504 1.00 0.00 C ATOM 0 H ALA A 91 -11.549 -0.505 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.608 -1.781 -9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.552 -0.668 -10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.497 0.471 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.022 -0.272 -8.861 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.306 -3.340 -7.912 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.419 -4.509 -7.824 1.00 0.00 C ATOM 1456 C GLY A 92 -8.034 -4.313 -8.467 1.00 0.00 C ATOM 1457 O GLY A 92 -7.310 -5.291 -8.664 1.00 0.00 O ATOM 0 H GLY A 92 -10.400 -2.850 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.284 -4.768 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.910 -5.358 -8.301 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.669 -3.076 -8.822 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.432 -2.723 -9.520 1.00 0.00 C ATOM 1463 C GLY A 93 -6.534 -1.383 -10.253 1.00 0.00 C ATOM 1464 O GLY A 93 -7.590 -1.019 -10.775 1.00 0.00 O ATOM 0 H GLY A 93 -8.252 -2.263 -8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.613 -2.679 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.186 -3.507 -10.236 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.431 -0.632 -10.260 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.337 0.715 -10.853 1.00 0.00 C ATOM 1470 C VAL A 94 -5.104 0.653 -12.371 1.00 0.00 C ATOM 1471 O VAL A 94 -4.442 -0.255 -12.879 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.305 1.577 -10.092 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -2.859 1.089 -10.245 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.381 3.056 -10.484 1.00 0.00 C ATOM 0 H VAL A 94 -4.554 -0.946 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.297 1.218 -10.735 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.583 1.467 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.193 1.744 -9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.776 0.072 -9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.579 1.104 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.636 3.620 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.186 3.160 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.375 3.442 -10.258 1.00 0.00 H new ATOM 1484 N THR A 95 -5.662 1.615 -13.111 1.00 0.00 N ATOM 1485 CA THR A 95 -5.704 1.625 -14.589 1.00 0.00 C ATOM 1486 C THR A 95 -4.416 2.100 -15.273 1.00 0.00 C ATOM 1487 O THR A 95 -4.266 1.922 -16.485 1.00 0.00 O ATOM 1488 CB THR A 95 -6.880 2.486 -15.084 1.00 0.00 C ATOM 1489 OG1 THR A 95 -6.834 3.764 -14.475 1.00 0.00 O ATOM 1490 CG2 THR A 95 -8.231 1.858 -14.740 1.00 0.00 C ATOM 0 H THR A 95 -6.110 2.432 -12.696 1.00 0.00 H new ATOM 0 HA THR A 95 -5.830 0.580 -14.870 1.00 0.00 H new ATOM 0 HB THR A 95 -6.783 2.561 -16.167 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.584 4.307 -14.796 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.034 2.498 -15.107 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.306 0.877 -15.209 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.318 1.751 -13.659 1.00 0.00 H new ATOM 1498 N GLY A 96 -3.472 2.684 -14.529 1.00 0.00 N ATOM 1499 CA GLY A 96 -2.209 3.203 -15.065 1.00 0.00 C ATOM 1500 C GLY A 96 -1.336 3.905 -14.018 1.00 0.00 C ATOM 1501 O GLY A 96 -1.528 3.722 -12.813 1.00 0.00 O ATOM 0 H GLY A 96 -3.565 2.812 -13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.645 2.379 -15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.427 3.903 -15.871 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.377 4.717 -14.490 1.00 0.00 N ATOM 1506 CA LYS A 97 0.559 5.539 -13.683 1.00 0.00 C ATOM 1507 C LYS A 97 1.416 4.753 -12.668 1.00 0.00 C ATOM 1508 O LYS A 97 1.872 5.312 -11.668 1.00 0.00 O ATOM 1509 CB LYS A 97 -0.182 6.734 -13.040 1.00 0.00 C ATOM 1510 CG LYS A 97 -1.009 7.610 -14.000 1.00 0.00 C ATOM 1511 CD LYS A 97 -0.164 8.282 -15.093 1.00 0.00 C ATOM 1512 CE LYS A 97 -1.043 9.219 -15.931 1.00 0.00 C ATOM 1513 NZ LYS A 97 -0.260 9.902 -16.994 1.00 0.00 N ATOM 0 H LYS A 97 -0.220 4.829 -15.492 1.00 0.00 H new ATOM 0 HA LYS A 97 1.296 5.925 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.847 6.350 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.553 7.367 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.777 6.996 -14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.525 8.379 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.652 8.844 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.288 7.524 -15.733 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.853 8.649 -16.385 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.503 9.964 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.887 10.527 -17.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.498 10.466 -16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.158 9.191 -17.628 1.00 0.00 H new ATOM 1527 N GLY A 98 1.646 3.460 -12.914 1.00 0.00 N ATOM 1528 CA GLY A 98 2.433 2.588 -12.035 1.00 0.00 C ATOM 1529 C GLY A 98 3.938 2.895 -12.043 1.00 0.00 C ATOM 1530 O GLY A 98 4.495 3.346 -13.048 1.00 0.00 O ATOM 0 H GLY A 98 1.286 2.982 -13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.058 2.681 -11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.281 1.552 -12.337 1.00 0.00 H new ATOM 1534 N GLN A 99 4.597 2.648 -10.909 1.00 0.00 N ATOM 1535 CA GLN A 99 6.026 2.896 -10.687 1.00 0.00 C ATOM 1536 C GLN A 99 6.919 1.865 -11.410 1.00 0.00 C ATOM 1537 O GLN A 99 6.587 0.678 -11.468 1.00 0.00 O ATOM 1538 CB GLN A 99 6.322 2.883 -9.179 1.00 0.00 C ATOM 1539 CG GLN A 99 5.613 3.974 -8.351 1.00 0.00 C ATOM 1540 CD GLN A 99 4.157 3.692 -7.959 1.00 0.00 C ATOM 1541 OE1 GLN A 99 3.548 2.671 -8.266 1.00 0.00 O ATOM 1542 NE2 GLN A 99 3.542 4.598 -7.237 1.00 0.00 N ATOM 0 H GLN A 99 4.135 2.255 -10.089 1.00 0.00 H new ATOM 0 HA GLN A 99 6.261 3.875 -11.106 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.040 1.909 -8.780 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.398 2.986 -9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.187 4.138 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.641 4.905 -8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.028 5.454 -6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.577 4.447 -6.942 1.00 0.00 H new ATOM 1551 N ASP A 100 8.062 2.311 -11.947 1.00 0.00 N ATOM 1552 CA ASP A 100 9.003 1.491 -12.732 1.00 0.00 C ATOM 1553 C ASP A 100 10.414 2.119 -12.806 1.00 0.00 C ATOM 1554 O ASP A 100 10.550 3.344 -12.900 1.00 0.00 O ATOM 1555 CB ASP A 100 8.431 1.342 -14.157 1.00 0.00 C ATOM 1556 CG ASP A 100 9.315 0.485 -15.079 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.250 -0.764 -14.993 1.00 0.00 O ATOM 1558 OD2 ASP A 100 10.053 1.057 -15.917 1.00 0.00 O ATOM 0 H ASP A 100 8.369 3.278 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 100 9.111 0.524 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.439 0.895 -14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.310 2.331 -14.598 1.00 0.00 H new ATOM 1563 N GLY A 101 11.462 1.289 -12.843 1.00 0.00 N ATOM 1564 CA GLY A 101 12.783 1.650 -13.379 1.00 0.00 C ATOM 1565 C GLY A 101 13.823 2.151 -12.371 1.00 0.00 C ATOM 1566 O GLY A 101 14.621 3.031 -12.708 1.00 0.00 O ATOM 0 H GLY A 101 11.417 0.331 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.194 0.777 -13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.643 2.422 -14.136 1.00 0.00 H new ATOM 1570 N ILE A 102 13.811 1.638 -11.138 1.00 0.00 N ATOM 1571 CA ILE A 102 14.668 2.097 -10.030 1.00 0.00 C ATOM 1572 C ILE A 102 15.066 0.948 -9.085 1.00 0.00 C ATOM 1573 O ILE A 102 14.266 0.058 -8.793 1.00 0.00 O ATOM 1574 CB ILE A 102 13.999 3.299 -9.310 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.854 3.786 -8.116 1.00 0.00 C ATOM 1576 CG2 ILE A 102 12.544 2.996 -8.913 1.00 0.00 C ATOM 1577 CD1 ILE A 102 14.379 5.096 -7.479 1.00 0.00 C ATOM 0 H ILE A 102 13.192 0.873 -10.871 1.00 0.00 H new ATOM 0 HA ILE A 102 15.614 2.453 -10.439 1.00 0.00 H new ATOM 0 HB ILE A 102 13.952 4.124 -10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.862 3.009 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.883 3.914 -8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 102 12.115 3.864 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.963 2.769 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 102 12.522 2.140 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.038 5.358 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.398 5.891 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.362 4.972 -7.107 1.00 0.00 H new ATOM 1589 N GLY A 103 16.305 0.986 -8.582 1.00 0.00 N ATOM 1590 CA GLY A 103 16.889 -0.012 -7.677 1.00 0.00 C ATOM 1591 C GLY A 103 17.850 -0.994 -8.364 1.00 0.00 C ATOM 1592 O GLY A 103 17.689 -1.325 -9.543 1.00 0.00 O ATOM 0 H GLY A 103 16.954 1.742 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.423 0.505 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.084 -0.577 -7.208 1.00 0.00 H new ATOM 1596 N SER A 104 18.841 -1.465 -7.602 1.00 0.00 N ATOM 1597 CA SER A 104 19.912 -2.382 -8.038 1.00 0.00 C ATOM 1598 C SER A 104 20.261 -3.398 -6.940 1.00 0.00 C ATOM 1599 O SER A 104 20.100 -3.113 -5.748 1.00 0.00 O ATOM 1600 CB SER A 104 21.183 -1.596 -8.402 1.00 0.00 C ATOM 1601 OG SER A 104 20.952 -0.698 -9.479 1.00 0.00 O ATOM 0 H SER A 104 18.928 -1.209 -6.618 1.00 0.00 H new ATOM 0 HA SER A 104 19.541 -2.915 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.529 -1.039 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.977 -2.292 -8.672 1.00 0.00 H new ATOM 0 HG SER A 104 21.779 -0.213 -9.684 1.00 0.00 H new ATOM 1607 N LYS A 105 20.771 -4.574 -7.331 1.00 0.00 N ATOM 1608 CA LYS A 105 21.203 -5.658 -6.426 1.00 0.00 C ATOM 1609 C LYS A 105 22.735 -5.738 -6.354 1.00 0.00 C ATOM 1610 O LYS A 105 23.407 -5.666 -7.386 1.00 0.00 O ATOM 1611 CB LYS A 105 20.544 -6.974 -6.882 1.00 0.00 C ATOM 1612 CG LYS A 105 20.582 -8.064 -5.803 1.00 0.00 C ATOM 1613 CD LYS A 105 19.828 -9.320 -6.278 1.00 0.00 C ATOM 1614 CE LYS A 105 19.712 -10.391 -5.184 1.00 0.00 C ATOM 1615 NZ LYS A 105 20.946 -11.202 -5.055 1.00 0.00 N ATOM 0 H LYS A 105 20.900 -4.808 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 105 20.875 -5.454 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.508 -6.779 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 105 21.050 -7.337 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 105 21.616 -8.319 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.133 -7.689 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 105 18.829 -9.036 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.342 -9.743 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.495 -9.910 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 105 18.871 -11.047 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.980 -11.635 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 20.947 -11.949 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.778 -10.592 -5.186 1.00 0.00 H new ATOM 1629 N ALA A 106 23.291 -5.862 -5.145 1.00 0.00 N ATOM 1630 CA ALA A 106 24.733 -5.712 -4.902 1.00 0.00 C ATOM 1631 C ALA A 106 25.579 -6.942 -5.294 1.00 0.00 C ATOM 1632 O ALA A 106 26.724 -6.800 -5.724 1.00 0.00 O ATOM 1633 CB ALA A 106 24.931 -5.343 -3.426 1.00 0.00 C ATOM 0 H ALA A 106 22.754 -6.070 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 106 25.099 -4.920 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.995 -5.226 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.415 -4.407 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 106 24.524 -6.134 -2.796 1.00 0.00 H new ATOM 1639 N GLU A 107 25.012 -8.145 -5.175 1.00 0.00 N ATOM 1640 CA GLU A 107 25.601 -9.426 -5.591 1.00 0.00 C ATOM 1641 C GLU A 107 24.526 -10.311 -6.243 1.00 0.00 C ATOM 1642 O GLU A 107 23.336 -10.142 -5.959 1.00 0.00 O ATOM 1643 CB GLU A 107 26.215 -10.161 -4.382 1.00 0.00 C ATOM 1644 CG GLU A 107 27.465 -9.496 -3.778 1.00 0.00 C ATOM 1645 CD GLU A 107 28.683 -9.440 -4.729 1.00 0.00 C ATOM 1646 OE1 GLU A 107 28.742 -10.198 -5.730 1.00 0.00 O ATOM 1647 OE2 GLU A 107 29.626 -8.658 -4.451 1.00 0.00 O ATOM 0 H GLU A 107 24.085 -8.261 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 107 26.391 -9.223 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 107 25.456 -10.245 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.474 -11.175 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.210 -8.481 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 107 27.749 -10.037 -2.875 1.00 0.00 H new ATOM 1654 N LYS A 108 24.924 -11.259 -7.103 1.00 0.00 N ATOM 1655 CA LYS A 108 24.005 -12.146 -7.846 1.00 0.00 C ATOM 1656 C LYS A 108 23.223 -13.094 -6.924 1.00 0.00 C ATOM 1657 O LYS A 108 21.973 -13.001 -6.914 1.00 0.00 O ATOM 1658 CB LYS A 108 24.773 -12.923 -8.936 1.00 0.00 C ATOM 1659 CG LYS A 108 25.485 -12.051 -9.989 1.00 0.00 C ATOM 1660 CD LYS A 108 24.531 -11.148 -10.784 1.00 0.00 C ATOM 1661 CE LYS A 108 25.304 -10.415 -11.888 1.00 0.00 C ATOM 1662 NZ LYS A 108 24.414 -9.534 -12.689 1.00 0.00 N ATOM 1663 OXT LYS A 108 23.849 -13.905 -6.203 1.00 0.00 O ATOM 0 H LYS A 108 25.907 -11.437 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 108 23.261 -11.512 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 108 25.515 -13.557 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 108 24.074 -13.584 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.230 -11.430 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.022 -12.698 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 108 23.732 -11.746 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.060 -10.426 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 108 26.100 -9.819 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.781 -11.143 -12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 24.971 -9.055 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.669 -10.106 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.978 -8.823 -12.067 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.870 -2.994 -7.850 1.00 0.00 ZN