USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=27 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 83 GLN : amide:sc= 0.756 K(o=1.6,f=-2.7) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 167:sc= 0.853 (180deg=0) USER MOD Set 2.1: A 55 SER OG : rot -111:sc= 1.99 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -156:sc= 3.46 (180deg=1.19) USER MOD Set 2.3: A 99 GLN : amide:sc= 0.963 K(o=6.4,f=-3) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.472 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.291) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0674 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= 2.23 (180deg=1.43) USER MOD Single : A 9 TYR OH : rot -143:sc= 1.07 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.295 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.16) USER MOD Single : A 38 MET CE :methyl -165:sc= -1.84 (180deg=-2.48) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 SER OG : rot 130:sc= 0.454 USER MOD Single : A 43 MET CE :methyl 153:sc= -0.12 (180deg=-0.735) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.3) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.018) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.641 X(o=-0.64,f=-0.2) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00975 USER MOD Single : A 82 GLN : amide:sc= 1.1 K(o=1.1,f=-0.87) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.13) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 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+ 174:sc= 1.3 (180deg=1.19) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.424 2.903 25.935 1.00 0.00 N ATOM 2 CA MET A 1 2.369 2.512 24.500 1.00 0.00 C ATOM 3 C MET A 1 1.168 1.600 24.231 1.00 0.00 C ATOM 4 O MET A 1 0.697 0.907 25.135 1.00 0.00 O ATOM 5 CB MET A 1 3.672 1.832 24.024 1.00 0.00 C ATOM 6 CG MET A 1 4.886 2.774 24.016 1.00 0.00 C ATOM 7 SD MET A 1 4.702 4.297 23.040 1.00 0.00 S ATOM 8 CE MET A 1 4.722 3.625 21.353 1.00 0.00 C ATOM 0 H1 MET A 1 2.177 3.909 26.031 1.00 0.00 H new ATOM 0 H2 MET A 1 1.749 2.327 26.478 1.00 0.00 H new ATOM 0 H3 MET A 1 3.385 2.747 26.301 1.00 0.00 H new ATOM 0 HA MET A 1 2.254 3.433 23.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.886 0.981 24.671 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.521 1.438 23.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.114 3.050 25.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.746 2.223 23.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.618 4.439 20.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.665 3.106 21.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.895 2.925 21.230 1.00 0.00 H new ATOM 20 N ALA A 2 0.677 1.585 22.987 1.00 0.00 N ATOM 21 CA ALA A 2 -0.424 0.735 22.518 1.00 0.00 C ATOM 22 C ALA A 2 -0.172 0.215 21.086 1.00 0.00 C ATOM 23 O ALA A 2 0.592 0.811 20.322 1.00 0.00 O ATOM 24 CB ALA A 2 -1.735 1.531 22.607 1.00 0.00 C ATOM 0 H ALA A 2 1.049 2.186 22.252 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.493 -0.146 23.155 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.562 0.910 22.261 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.911 1.827 23.641 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.663 2.421 21.982 1.00 0.00 H new ATOM 30 N GLU A 3 -0.813 -0.898 20.720 1.00 0.00 N ATOM 31 CA GLU A 3 -0.649 -1.576 19.423 1.00 0.00 C ATOM 32 C GLU A 3 -1.945 -2.287 18.982 1.00 0.00 C ATOM 33 O GLU A 3 -2.709 -2.786 19.814 1.00 0.00 O ATOM 34 CB GLU A 3 0.527 -2.567 19.532 1.00 0.00 C ATOM 35 CG GLU A 3 0.918 -3.224 18.202 1.00 0.00 C ATOM 36 CD GLU A 3 2.194 -4.071 18.365 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.094 -5.262 18.753 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.310 -3.555 18.104 1.00 0.00 O ATOM 0 H GLU A 3 -1.480 -1.369 21.332 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.431 -0.834 18.655 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.394 -2.043 19.935 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.266 -3.347 20.247 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.101 -3.853 17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.080 -2.456 17.446 1.00 0.00 H new ATOM 45 N SER A 4 -2.175 -2.358 17.667 1.00 0.00 N ATOM 46 CA SER A 4 -3.271 -3.100 17.024 1.00 0.00 C ATOM 47 C SER A 4 -2.769 -3.886 15.803 1.00 0.00 C ATOM 48 O SER A 4 -1.785 -3.501 15.162 1.00 0.00 O ATOM 49 CB SER A 4 -4.417 -2.149 16.654 1.00 0.00 C ATOM 50 OG SER A 4 -3.996 -1.142 15.744 1.00 0.00 O ATOM 0 H SER A 4 -1.579 -1.881 16.991 1.00 0.00 H new ATOM 0 HA SER A 4 -3.657 -3.829 17.737 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.234 -2.719 16.212 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.807 -1.681 17.558 1.00 0.00 H new ATOM 0 HG SER A 4 -4.753 -0.557 15.530 1.00 0.00 H new ATOM 56 N SER A 5 -3.413 -5.019 15.499 1.00 0.00 N ATOM 57 CA SER A 5 -2.918 -6.019 14.530 1.00 0.00 C ATOM 58 C SER A 5 -3.951 -6.528 13.523 1.00 0.00 C ATOM 59 O SER A 5 -3.685 -7.466 12.771 1.00 0.00 O ATOM 60 CB SER A 5 -2.217 -7.166 15.271 1.00 0.00 C ATOM 61 OG SER A 5 -3.120 -7.816 16.155 1.00 0.00 O ATOM 0 H SER A 5 -4.305 -5.276 15.922 1.00 0.00 H new ATOM 0 HA SER A 5 -2.197 -5.493 13.904 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.824 -7.884 14.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.367 -6.778 15.832 1.00 0.00 H new ATOM 0 HG SER A 5 -2.657 -8.545 16.618 1.00 0.00 H new ATOM 67 N ASP A 6 -5.088 -5.839 13.403 1.00 0.00 N ATOM 68 CA ASP A 6 -6.053 -6.012 12.312 1.00 0.00 C ATOM 69 C ASP A 6 -5.658 -5.265 11.015 1.00 0.00 C ATOM 70 O ASP A 6 -6.477 -5.062 10.119 1.00 0.00 O ATOM 71 CB ASP A 6 -7.464 -5.655 12.812 1.00 0.00 C ATOM 72 CG ASP A 6 -7.608 -4.164 13.152 1.00 0.00 C ATOM 73 OD1 ASP A 6 -6.918 -3.689 14.084 1.00 0.00 O ATOM 74 OD2 ASP A 6 -8.398 -3.453 12.488 1.00 0.00 O ATOM 0 H ASP A 6 -5.371 -5.128 14.077 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.048 -7.062 12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.195 -5.923 12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.694 -6.250 13.696 1.00 0.00 H new ATOM 79 N LYS A 7 -4.389 -4.844 10.912 1.00 0.00 N ATOM 80 CA LYS A 7 -3.818 -3.981 9.870 1.00 0.00 C ATOM 81 C LYS A 7 -2.999 -4.794 8.885 1.00 0.00 C ATOM 82 O LYS A 7 -1.812 -4.562 8.663 1.00 0.00 O ATOM 83 CB LYS A 7 -3.032 -2.823 10.515 1.00 0.00 C ATOM 84 CG LYS A 7 -3.791 -2.067 11.618 1.00 0.00 C ATOM 85 CD LYS A 7 -5.195 -1.594 11.212 1.00 0.00 C ATOM 86 CE LYS A 7 -5.897 -1.019 12.441 1.00 0.00 C ATOM 87 NZ LYS A 7 -7.355 -0.887 12.203 1.00 0.00 N ATOM 0 H LYS A 7 -3.688 -5.116 11.601 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.621 -3.529 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.107 -3.219 10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.750 -2.115 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.877 -2.713 12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.202 -1.201 11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.127 -0.839 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.770 -2.425 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.722 -1.666 13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.474 -0.044 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.723 -0.079 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.529 -0.733 11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.837 -1.757 12.508 1.00 0.00 H new ATOM 101 N LEU A 8 -3.676 -5.777 8.302 1.00 0.00 N ATOM 102 CA LEU A 8 -3.158 -6.651 7.261 1.00 0.00 C ATOM 103 C LEU A 8 -2.662 -5.899 6.016 1.00 0.00 C ATOM 104 O LEU A 8 -1.853 -6.459 5.280 1.00 0.00 O ATOM 105 CB LEU A 8 -4.195 -7.737 6.923 1.00 0.00 C ATOM 106 CG LEU A 8 -5.455 -7.269 6.167 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.213 -8.497 5.670 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.423 -6.433 7.006 1.00 0.00 C ATOM 0 H LEU A 8 -4.640 -5.994 8.554 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.266 -7.136 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.703 -8.505 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.510 -8.210 7.853 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.100 -6.631 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.107 -8.180 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.574 -9.073 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.500 -9.116 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.280 -6.147 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.765 -7.019 7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.915 -5.536 7.362 1.00 0.00 H new ATOM 120 N TYR A 9 -3.079 -4.640 5.820 1.00 0.00 N ATOM 121 CA TYR A 9 -2.617 -3.749 4.760 1.00 0.00 C ATOM 122 C TYR A 9 -2.098 -2.427 5.353 1.00 0.00 C ATOM 123 O TYR A 9 -2.538 -1.981 6.415 1.00 0.00 O ATOM 124 CB TYR A 9 -3.763 -3.494 3.763 1.00 0.00 C ATOM 125 CG TYR A 9 -4.530 -4.723 3.292 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.842 -5.874 2.864 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.939 -4.722 3.308 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.550 -7.023 2.471 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.656 -5.867 2.908 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.961 -7.022 2.483 1.00 0.00 C ATOM 131 OH TYR A 9 -6.640 -8.130 2.084 1.00 0.00 O ATOM 0 H TYR A 9 -3.776 -4.202 6.423 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.791 -4.222 4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.470 -2.804 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.351 -2.991 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.762 -5.874 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.472 -3.839 3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.014 -7.907 2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.736 -5.862 2.926 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.450 -7.861 1.602 1.00 0.00 H new ATOM 141 N ARG A 10 -1.189 -1.759 4.641 1.00 0.00 N ATOM 142 CA ARG A 10 -0.712 -0.398 4.925 1.00 0.00 C ATOM 143 C ARG A 10 -0.570 0.376 3.610 1.00 0.00 C ATOM 144 O ARG A 10 -0.307 -0.235 2.580 1.00 0.00 O ATOM 145 CB ARG A 10 0.553 -0.458 5.827 1.00 0.00 C ATOM 146 CG ARG A 10 1.741 0.482 5.521 1.00 0.00 C ATOM 147 CD ARG A 10 1.543 1.954 5.915 1.00 0.00 C ATOM 148 NE ARG A 10 1.560 2.217 7.367 1.00 0.00 N ATOM 149 CZ ARG A 10 1.748 3.409 7.911 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.350 4.398 7.323 1.00 0.00 N ATOM 151 NH2 ARG A 10 1.285 3.647 9.099 1.00 0.00 N ATOM 0 H ARG A 10 -0.745 -2.165 3.817 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.434 0.172 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.235 -0.263 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.928 -1.481 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.623 0.102 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.951 0.436 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.325 2.549 5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.592 2.299 5.509 1.00 0.00 H new ATOM 0 HE ARG A 10 1.417 1.426 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.715 4.283 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.458 5.290 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.781 2.919 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.425 4.562 9.527 1.00 0.00 H new ATOM 165 N VAL A 11 -0.759 1.692 3.629 1.00 0.00 N ATOM 166 CA VAL A 11 -0.473 2.628 2.528 1.00 0.00 C ATOM 167 C VAL A 11 0.167 3.909 3.064 1.00 0.00 C ATOM 168 O VAL A 11 -0.168 4.355 4.158 1.00 0.00 O ATOM 169 CB VAL A 11 -1.761 2.923 1.743 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.710 3.899 2.450 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.474 3.530 0.364 1.00 0.00 C ATOM 0 H VAL A 11 -1.134 2.166 4.451 1.00 0.00 H new ATOM 0 HA VAL A 11 0.241 2.169 1.844 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.234 1.945 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.595 4.057 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.007 3.484 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.203 4.851 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.415 3.721 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.930 4.467 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.873 2.834 -0.222 1.00 0.00 H new ATOM 181 N GLU A 12 1.093 4.507 2.317 1.00 0.00 N ATOM 182 CA GLU A 12 1.718 5.784 2.682 1.00 0.00 C ATOM 183 C GLU A 12 2.350 6.509 1.489 1.00 0.00 C ATOM 184 O GLU A 12 2.717 5.895 0.481 1.00 0.00 O ATOM 185 CB GLU A 12 2.777 5.568 3.780 1.00 0.00 C ATOM 186 CG GLU A 12 3.983 4.733 3.328 1.00 0.00 C ATOM 187 CD GLU A 12 4.992 4.528 4.467 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.560 4.293 5.622 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.215 4.577 4.189 1.00 0.00 O ATOM 0 H GLU A 12 1.435 4.121 1.437 1.00 0.00 H new ATOM 0 HA GLU A 12 0.917 6.422 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.130 6.539 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.307 5.077 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.639 3.763 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.475 5.228 2.491 1.00 0.00 H new ATOM 196 N TYR A 13 2.560 7.817 1.645 1.00 0.00 N ATOM 197 CA TYR A 13 3.533 8.552 0.840 1.00 0.00 C ATOM 198 C TYR A 13 4.952 8.137 1.251 1.00 0.00 C ATOM 199 O TYR A 13 5.295 8.136 2.436 1.00 0.00 O ATOM 200 CB TYR A 13 3.343 10.068 1.010 1.00 0.00 C ATOM 201 CG TYR A 13 1.974 10.652 0.688 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.059 9.990 -0.158 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.634 11.906 1.231 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.186 10.578 -0.454 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.394 12.501 0.934 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.519 11.837 0.087 1.00 0.00 C ATOM 207 OH TYR A 13 -1.720 12.405 -0.201 1.00 0.00 O ATOM 0 H TYR A 13 2.065 8.391 2.327 1.00 0.00 H new ATOM 0 HA TYR A 13 3.380 8.311 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.581 10.322 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.078 10.570 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.314 9.029 -0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.331 12.415 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.886 10.064 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.141 13.464 1.353 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.790 13.271 0.253 1.00 0.00 H new ATOM 217 N ALA A 14 5.789 7.794 0.276 1.00 0.00 N ATOM 218 CA ALA A 14 7.166 7.378 0.492 1.00 0.00 C ATOM 219 C ALA A 14 8.053 8.586 0.849 1.00 0.00 C ATOM 220 O ALA A 14 8.328 9.437 0.001 1.00 0.00 O ATOM 221 CB ALA A 14 7.635 6.639 -0.766 1.00 0.00 C ATOM 0 H ALA A 14 5.520 7.799 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 14 7.241 6.700 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.667 6.314 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.000 5.770 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.572 7.307 -1.625 1.00 0.00 H new ATOM 227 N LYS A 15 8.507 8.663 2.107 1.00 0.00 N ATOM 228 CA LYS A 15 9.363 9.755 2.618 1.00 0.00 C ATOM 229 C LYS A 15 10.861 9.516 2.382 1.00 0.00 C ATOM 230 O LYS A 15 11.631 10.473 2.297 1.00 0.00 O ATOM 231 CB LYS A 15 9.071 9.990 4.113 1.00 0.00 C ATOM 232 CG LYS A 15 7.597 10.292 4.454 1.00 0.00 C ATOM 233 CD LYS A 15 6.960 11.461 3.684 1.00 0.00 C ATOM 234 CE LYS A 15 7.702 12.784 3.924 1.00 0.00 C ATOM 235 NZ LYS A 15 7.036 13.922 3.236 1.00 0.00 N ATOM 0 H LYS A 15 8.289 7.960 2.813 1.00 0.00 H new ATOM 0 HA LYS A 15 9.113 10.651 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.383 9.107 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.685 10.820 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.009 9.394 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.526 10.502 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.959 11.235 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.919 11.570 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.751 12.984 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.729 12.695 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.566 14.798 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.012 13.742 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.064 14.023 3.593 1.00 0.00 H new ATOM 249 N SER A 16 11.269 8.252 2.262 1.00 0.00 N ATOM 250 CA SER A 16 12.656 7.806 2.064 1.00 0.00 C ATOM 251 C SER A 16 12.722 6.545 1.191 1.00 0.00 C ATOM 252 O SER A 16 11.783 5.744 1.159 1.00 0.00 O ATOM 253 CB SER A 16 13.319 7.551 3.426 1.00 0.00 C ATOM 254 OG SER A 16 12.657 6.504 4.121 1.00 0.00 O ATOM 0 H SER A 16 10.613 7.472 2.302 1.00 0.00 H new ATOM 0 HA SER A 16 13.197 8.595 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.368 7.292 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.295 8.462 4.024 1.00 0.00 H new ATOM 0 HG SER A 16 13.096 6.356 4.985 1.00 0.00 H new ATOM 260 N GLY A 17 13.840 6.346 0.486 1.00 0.00 N ATOM 261 CA GLY A 17 14.052 5.242 -0.465 1.00 0.00 C ATOM 262 C GLY A 17 14.399 3.880 0.160 1.00 0.00 C ATOM 263 O GLY A 17 15.018 3.046 -0.504 1.00 0.00 O ATOM 0 H GLY A 17 14.648 6.964 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.150 5.126 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.855 5.523 -1.147 1.00 0.00 H new ATOM 267 N ARG A 18 14.075 3.667 1.445 1.00 0.00 N ATOM 268 CA ARG A 18 14.538 2.523 2.259 1.00 0.00 C ATOM 269 C ARG A 18 13.785 1.208 2.017 1.00 0.00 C ATOM 270 O ARG A 18 14.356 0.138 2.235 1.00 0.00 O ATOM 271 CB ARG A 18 14.500 2.901 3.744 1.00 0.00 C ATOM 272 CG ARG A 18 15.498 4.030 4.049 1.00 0.00 C ATOM 273 CD ARG A 18 15.820 4.016 5.540 1.00 0.00 C ATOM 274 NE ARG A 18 16.720 5.123 5.921 1.00 0.00 N ATOM 275 CZ ARG A 18 17.113 5.431 7.144 1.00 0.00 C ATOM 276 NH1 ARG A 18 16.727 4.753 8.189 1.00 0.00 N ATOM 277 NH2 ARG A 18 17.910 6.441 7.346 1.00 0.00 N ATOM 0 H ARG A 18 13.467 4.301 1.964 1.00 0.00 H new ATOM 0 HA ARG A 18 15.560 2.321 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.493 3.217 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.736 2.028 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.409 3.896 3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.076 4.994 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.895 4.088 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.284 3.065 5.802 1.00 0.00 H new ATOM 0 HE ARG A 18 17.074 5.708 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.101 3.956 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.051 5.020 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.235 7.000 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.209 6.673 8.293 1.00 0.00 H new ATOM 291 N ALA A 19 12.525 1.268 1.584 1.00 0.00 N ATOM 292 CA ALA A 19 11.691 0.087 1.352 1.00 0.00 C ATOM 293 C ALA A 19 12.015 -0.604 0.013 1.00 0.00 C ATOM 294 O ALA A 19 12.308 0.053 -0.990 1.00 0.00 O ATOM 295 CB ALA A 19 10.212 0.481 1.460 1.00 0.00 C ATOM 0 H ALA A 19 12.049 2.147 1.382 1.00 0.00 H new ATOM 0 HA ALA A 19 11.912 -0.653 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.588 -0.396 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.013 0.878 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.983 1.242 0.714 1.00 0.00 H new ATOM 301 N SER A 20 11.914 -1.934 -0.015 1.00 0.00 N ATOM 302 CA SER A 20 12.121 -2.771 -1.206 1.00 0.00 C ATOM 303 C SER A 20 10.819 -3.431 -1.658 1.00 0.00 C ATOM 304 O SER A 20 10.037 -3.901 -0.826 1.00 0.00 O ATOM 305 CB SER A 20 13.242 -3.793 -0.984 1.00 0.00 C ATOM 306 OG SER A 20 12.953 -4.673 0.095 1.00 0.00 O ATOM 0 H SER A 20 11.679 -2.479 0.815 1.00 0.00 H new ATOM 0 HA SER A 20 12.443 -2.119 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.390 -4.373 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.177 -3.269 -0.784 1.00 0.00 H new ATOM 0 HG SER A 20 13.690 -5.310 0.204 1.00 0.00 H new ATOM 312 N CYS A 21 10.582 -3.465 -2.971 1.00 0.00 N ATOM 313 CA CYS A 21 9.372 -4.031 -3.559 1.00 0.00 C ATOM 314 C CYS A 21 9.464 -5.560 -3.655 1.00 0.00 C ATOM 315 O CYS A 21 10.389 -6.117 -4.256 1.00 0.00 O ATOM 316 CB CYS A 21 9.138 -3.374 -4.916 1.00 0.00 C ATOM 317 SG CYS A 21 7.523 -3.892 -5.596 1.00 0.00 S ATOM 0 H CYS A 21 11.235 -3.095 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 21 8.514 -3.824 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.167 -2.289 -4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.936 -3.650 -5.605 1.00 0.00 H new ATOM 322 N LYS A 22 8.490 -6.249 -3.056 1.00 0.00 N ATOM 323 CA LYS A 22 8.471 -7.718 -2.924 1.00 0.00 C ATOM 324 C LYS A 22 7.869 -8.437 -4.142 1.00 0.00 C ATOM 325 O LYS A 22 7.868 -9.669 -4.181 1.00 0.00 O ATOM 326 CB LYS A 22 7.749 -8.107 -1.620 1.00 0.00 C ATOM 327 CG LYS A 22 8.253 -7.387 -0.369 1.00 0.00 C ATOM 328 CD LYS A 22 9.608 -7.924 0.099 1.00 0.00 C ATOM 329 CE LYS A 22 10.043 -7.224 1.386 1.00 0.00 C ATOM 330 NZ LYS A 22 10.549 -5.845 1.143 1.00 0.00 N ATOM 0 H LYS A 22 7.675 -5.799 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 22 9.507 -8.055 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.685 -7.903 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.853 -9.182 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.338 -6.320 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.523 -7.500 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.542 -8.999 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.356 -7.768 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.200 -7.182 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.822 -7.813 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.448 -5.280 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.552 -5.886 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.001 -5.404 0.377 1.00 0.00 H new ATOM 344 N LYS A 23 7.355 -7.681 -5.125 1.00 0.00 N ATOM 345 CA LYS A 23 6.657 -8.198 -6.322 1.00 0.00 C ATOM 346 C LYS A 23 7.466 -8.034 -7.614 1.00 0.00 C ATOM 347 O LYS A 23 7.628 -9.019 -8.336 1.00 0.00 O ATOM 348 CB LYS A 23 5.263 -7.551 -6.403 1.00 0.00 C ATOM 349 CG LYS A 23 4.401 -7.974 -7.606 1.00 0.00 C ATOM 350 CD LYS A 23 4.142 -9.488 -7.670 1.00 0.00 C ATOM 351 CE LYS A 23 3.171 -9.803 -8.813 1.00 0.00 C ATOM 352 NZ LYS A 23 2.928 -11.265 -8.944 1.00 0.00 N ATOM 0 H LYS A 23 7.413 -6.663 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 23 6.542 -9.277 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.719 -7.787 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.386 -6.468 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.446 -7.451 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.894 -7.658 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.081 -10.020 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.728 -9.835 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.225 -9.291 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.574 -9.416 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.266 -11.438 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.827 -11.751 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.520 -11.630 -8.060 1.00 0.00 H new ATOM 366 N CYS A 24 7.989 -6.833 -7.890 1.00 0.00 N ATOM 367 CA CYS A 24 8.815 -6.550 -9.077 1.00 0.00 C ATOM 368 C CYS A 24 10.342 -6.516 -8.800 1.00 0.00 C ATOM 369 O CYS A 24 11.143 -6.386 -9.731 1.00 0.00 O ATOM 370 CB CYS A 24 8.253 -5.334 -9.837 1.00 0.00 C ATOM 371 SG CYS A 24 8.692 -3.728 -9.076 1.00 0.00 S ATOM 0 H CYS A 24 7.851 -6.019 -7.291 1.00 0.00 H new ATOM 0 HA CYS A 24 8.735 -7.402 -9.752 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.623 -5.354 -10.862 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.167 -5.418 -9.888 1.00 0.00 H new ATOM 376 N SER A 25 10.746 -6.725 -7.539 1.00 0.00 N ATOM 377 CA SER A 25 12.140 -6.884 -7.079 1.00 0.00 C ATOM 378 C SER A 25 13.062 -5.670 -7.307 1.00 0.00 C ATOM 379 O SER A 25 14.287 -5.807 -7.361 1.00 0.00 O ATOM 380 CB SER A 25 12.754 -8.202 -7.583 1.00 0.00 C ATOM 381 OG SER A 25 11.940 -9.313 -7.226 1.00 0.00 O ATOM 0 H SER A 25 10.078 -6.792 -6.771 1.00 0.00 H new ATOM 0 HA SER A 25 12.067 -6.938 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.868 -8.163 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.751 -8.327 -7.162 1.00 0.00 H new ATOM 0 HG SER A 25 12.350 -10.139 -7.558 1.00 0.00 H new ATOM 387 N GLU A 26 12.488 -4.468 -7.403 1.00 0.00 N ATOM 388 CA GLU A 26 13.201 -3.182 -7.344 1.00 0.00 C ATOM 389 C GLU A 26 13.123 -2.578 -5.924 1.00 0.00 C ATOM 390 O GLU A 26 12.531 -3.173 -5.020 1.00 0.00 O ATOM 391 CB GLU A 26 12.627 -2.221 -8.404 1.00 0.00 C ATOM 392 CG GLU A 26 12.719 -2.732 -9.853 1.00 0.00 C ATOM 393 CD GLU A 26 14.156 -3.074 -10.306 1.00 0.00 C ATOM 394 OE1 GLU A 26 15.114 -2.360 -9.921 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.339 -4.043 -11.085 1.00 0.00 O ATOM 0 H GLU A 26 11.482 -4.356 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 26 14.256 -3.345 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.581 -2.025 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.154 -1.269 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.095 -3.620 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.308 -1.975 -10.522 1.00 0.00 H new ATOM 402 N SER A 27 13.685 -1.385 -5.707 1.00 0.00 N ATOM 403 CA SER A 27 13.521 -0.630 -4.453 1.00 0.00 C ATOM 404 C SER A 27 12.686 0.631 -4.663 1.00 0.00 C ATOM 405 O SER A 27 12.753 1.266 -5.715 1.00 0.00 O ATOM 406 CB SER A 27 14.858 -0.321 -3.780 1.00 0.00 C ATOM 407 OG SER A 27 15.564 -1.521 -3.499 1.00 0.00 O ATOM 0 H SER A 27 14.269 -0.911 -6.396 1.00 0.00 H new ATOM 0 HA SER A 27 12.972 -1.275 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.459 0.318 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.687 0.232 -2.856 1.00 0.00 H new ATOM 0 HG SER A 27 16.418 -1.305 -3.070 1.00 0.00 H new ATOM 413 N ILE A 28 11.871 0.990 -3.675 1.00 0.00 N ATOM 414 CA ILE A 28 10.762 1.937 -3.837 1.00 0.00 C ATOM 415 C ILE A 28 11.264 3.379 -3.613 1.00 0.00 C ATOM 416 O ILE A 28 11.783 3.667 -2.530 1.00 0.00 O ATOM 417 CB ILE A 28 9.598 1.555 -2.891 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.118 0.098 -3.118 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.417 2.524 -3.091 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.224 -0.438 -1.993 1.00 0.00 C ATOM 0 H ILE A 28 11.960 0.629 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 28 10.376 1.887 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 28 9.971 1.628 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.572 0.047 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.988 -0.550 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.602 2.248 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.740 3.541 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.072 2.469 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.927 -1.462 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.774 -0.420 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.335 0.187 -1.906 1.00 0.00 H new ATOM 432 N PRO A 29 11.134 4.297 -4.592 1.00 0.00 N ATOM 433 CA PRO A 29 11.605 5.678 -4.468 1.00 0.00 C ATOM 434 C PRO A 29 10.731 6.524 -3.528 1.00 0.00 C ATOM 435 O PRO A 29 9.540 6.257 -3.350 1.00 0.00 O ATOM 436 CB PRO A 29 11.594 6.244 -5.891 1.00 0.00 C ATOM 437 CG PRO A 29 10.464 5.468 -6.562 1.00 0.00 C ATOM 438 CD PRO A 29 10.556 4.088 -5.915 1.00 0.00 C ATOM 0 HA PRO A 29 12.599 5.704 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.405 7.317 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.547 6.086 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.495 5.933 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.598 5.416 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.571 3.626 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.178 3.419 -6.510 1.00 0.00 H new ATOM 446 N LYS A 30 11.318 7.595 -2.975 1.00 0.00 N ATOM 447 CA LYS A 30 10.585 8.654 -2.259 1.00 0.00 C ATOM 448 C LYS A 30 9.810 9.582 -3.209 1.00 0.00 C ATOM 449 O LYS A 30 10.021 9.558 -4.422 1.00 0.00 O ATOM 450 CB LYS A 30 11.506 9.396 -1.282 1.00 0.00 C ATOM 451 CG LYS A 30 12.621 10.181 -1.972 1.00 0.00 C ATOM 452 CD LYS A 30 13.441 10.958 -0.939 1.00 0.00 C ATOM 453 CE LYS A 30 14.562 11.655 -1.700 1.00 0.00 C ATOM 454 NZ LYS A 30 15.397 12.507 -0.812 1.00 0.00 N ATOM 0 H LYS A 30 12.325 7.754 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 30 9.815 8.176 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.908 10.081 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.951 8.675 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.269 9.499 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.193 10.870 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.818 11.685 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.847 10.286 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.192 10.907 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.134 12.269 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.147 12.961 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.802 13.238 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.827 11.918 -0.070 1.00 0.00 H new ATOM 468 N ASP A 31 8.909 10.391 -2.650 1.00 0.00 N ATOM 469 CA ASP A 31 7.944 11.232 -3.383 1.00 0.00 C ATOM 470 C ASP A 31 7.051 10.415 -4.348 1.00 0.00 C ATOM 471 O ASP A 31 6.811 10.784 -5.501 1.00 0.00 O ATOM 472 CB ASP A 31 8.652 12.451 -4.007 1.00 0.00 C ATOM 473 CG ASP A 31 7.670 13.516 -4.533 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.674 13.828 -3.836 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.920 14.089 -5.621 1.00 0.00 O ATOM 0 H ASP A 31 8.823 10.487 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 31 7.227 11.643 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.306 12.905 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.287 12.115 -4.826 1.00 0.00 H new ATOM 480 N SER A 32 6.583 9.263 -3.857 1.00 0.00 N ATOM 481 CA SER A 32 5.703 8.303 -4.541 1.00 0.00 C ATOM 482 C SER A 32 4.699 7.689 -3.548 1.00 0.00 C ATOM 483 O SER A 32 4.771 7.962 -2.348 1.00 0.00 O ATOM 484 CB SER A 32 6.564 7.221 -5.208 1.00 0.00 C ATOM 485 OG SER A 32 5.782 6.461 -6.118 1.00 0.00 O ATOM 0 H SER A 32 6.821 8.955 -2.914 1.00 0.00 H new ATOM 0 HA SER A 32 5.126 8.816 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.399 7.684 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.990 6.566 -4.448 1.00 0.00 H new ATOM 0 HG SER A 32 6.343 5.776 -6.538 1.00 0.00 H new ATOM 491 N LEU A 33 3.762 6.863 -4.018 1.00 0.00 N ATOM 492 CA LEU A 33 2.762 6.165 -3.201 1.00 0.00 C ATOM 493 C LEU A 33 3.115 4.669 -3.104 1.00 0.00 C ATOM 494 O LEU A 33 3.388 4.024 -4.123 1.00 0.00 O ATOM 495 CB LEU A 33 1.375 6.427 -3.821 1.00 0.00 C ATOM 496 CG LEU A 33 0.191 5.871 -3.011 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.038 6.623 -1.700 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.096 6.004 -3.820 1.00 0.00 C ATOM 0 H LEU A 33 3.674 6.653 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 33 2.750 6.538 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.243 7.502 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.351 5.991 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 33 0.438 4.832 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.886 6.185 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.854 6.549 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.245 7.672 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.931 5.609 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.276 7.055 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.001 5.443 -4.750 1.00 0.00 H new ATOM 510 N ARG A 34 3.102 4.107 -1.890 1.00 0.00 N ATOM 511 CA ARG A 34 3.478 2.709 -1.614 1.00 0.00 C ATOM 512 C ARG A 34 2.535 2.043 -0.617 1.00 0.00 C ATOM 513 O ARG A 34 1.887 2.718 0.179 1.00 0.00 O ATOM 514 CB ARG A 34 4.957 2.621 -1.194 1.00 0.00 C ATOM 515 CG ARG A 34 5.323 3.270 0.153 1.00 0.00 C ATOM 516 CD ARG A 34 6.823 3.062 0.413 1.00 0.00 C ATOM 517 NE ARG A 34 7.285 3.732 1.644 1.00 0.00 N ATOM 518 CZ ARG A 34 8.492 4.201 1.896 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.468 4.143 1.034 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.716 4.767 3.039 1.00 0.00 N ATOM 0 H ARG A 34 2.825 4.619 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 34 3.369 2.141 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.240 1.569 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.562 3.085 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.087 4.334 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.736 2.827 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.031 1.994 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.391 3.440 -0.437 1.00 0.00 H new ATOM 0 HE ARG A 34 6.592 3.845 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.315 3.721 0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.385 4.520 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.966 4.844 3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.643 5.136 3.253 1.00 0.00 H new ATOM 534 N MET A 35 2.468 0.719 -0.673 1.00 0.00 N ATOM 535 CA MET A 35 1.618 -0.141 0.153 1.00 0.00 C ATOM 536 C MET A 35 2.427 -1.259 0.809 1.00 0.00 C ATOM 537 O MET A 35 3.537 -1.561 0.379 1.00 0.00 O ATOM 538 CB MET A 35 0.445 -0.701 -0.674 1.00 0.00 C ATOM 539 CG MET A 35 -0.604 0.376 -0.965 1.00 0.00 C ATOM 540 SD MET A 35 -2.097 -0.151 -1.854 1.00 0.00 S ATOM 541 CE MET A 35 -3.028 -0.932 -0.503 1.00 0.00 C ATOM 0 H MET A 35 3.035 0.183 -1.331 1.00 0.00 H new ATOM 0 HA MET A 35 1.201 0.467 0.956 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.822 -1.106 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.020 -1.526 -0.135 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.911 0.815 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.127 1.167 -1.543 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.897 -1.448 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.389 -1.649 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.357 -0.168 0.201 1.00 0.00 H new ATOM 551 N ALA A 36 1.892 -1.852 1.872 1.00 0.00 N ATOM 552 CA ALA A 36 2.521 -2.953 2.596 1.00 0.00 C ATOM 553 C ALA A 36 1.508 -4.007 3.060 1.00 0.00 C ATOM 554 O ALA A 36 0.305 -3.735 3.095 1.00 0.00 O ATOM 555 CB ALA A 36 3.317 -2.388 3.771 1.00 0.00 C ATOM 0 H ALA A 36 0.991 -1.575 2.262 1.00 0.00 H new ATOM 0 HA ALA A 36 3.196 -3.470 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.790 -3.205 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.084 -1.709 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.646 -1.846 4.438 1.00 0.00 H new ATOM 561 N ILE A 37 1.994 -5.190 3.454 1.00 0.00 N ATOM 562 CA ILE A 37 1.172 -6.296 3.964 1.00 0.00 C ATOM 563 C ILE A 37 1.729 -6.830 5.281 1.00 0.00 C ATOM 564 O ILE A 37 2.941 -6.974 5.411 1.00 0.00 O ATOM 565 CB ILE A 37 1.052 -7.389 2.876 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.253 -7.143 2.094 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.118 -8.827 3.410 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.368 -7.928 0.784 1.00 0.00 C ATOM 0 H ILE A 37 2.990 -5.411 3.427 1.00 0.00 H new ATOM 0 HA ILE A 37 0.168 -5.936 4.187 1.00 0.00 H new ATOM 0 HB ILE A 37 1.922 -7.305 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.098 -7.401 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.334 -6.079 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.026 -9.528 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.072 -8.985 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.303 -8.991 4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.317 -7.693 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.453 -7.654 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.323 -8.996 0.995 1.00 0.00 H new ATOM 580 N MET A 38 0.864 -7.181 6.234 1.00 0.00 N ATOM 581 CA MET A 38 1.285 -7.810 7.487 1.00 0.00 C ATOM 582 C MET A 38 1.418 -9.334 7.352 1.00 0.00 C ATOM 583 O MET A 38 0.436 -10.026 7.078 1.00 0.00 O ATOM 584 CB MET A 38 0.325 -7.399 8.617 1.00 0.00 C ATOM 585 CG MET A 38 0.970 -7.422 10.007 1.00 0.00 C ATOM 586 SD MET A 38 1.705 -5.854 10.562 1.00 0.00 S ATOM 587 CE MET A 38 3.015 -5.631 9.333 1.00 0.00 C ATOM 0 H MET A 38 -0.143 -7.038 6.160 1.00 0.00 H new ATOM 0 HA MET A 38 2.283 -7.452 7.740 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.051 -6.396 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.535 -8.068 8.613 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.215 -7.725 10.733 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.745 -8.188 10.015 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.716 -4.872 9.682 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.543 -6.574 9.189 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.576 -5.312 8.387 1.00 0.00 H new ATOM 597 N VAL A 39 2.625 -9.861 7.585 1.00 0.00 N ATOM 598 CA VAL A 39 2.915 -11.311 7.597 1.00 0.00 C ATOM 599 C VAL A 39 3.892 -11.684 8.713 1.00 0.00 C ATOM 600 O VAL A 39 4.704 -10.867 9.136 1.00 0.00 O ATOM 601 CB VAL A 39 3.426 -11.775 6.215 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.807 -11.211 5.875 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.450 -13.298 6.053 1.00 0.00 C ATOM 0 H VAL A 39 3.447 -9.287 7.775 1.00 0.00 H new ATOM 0 HA VAL A 39 1.983 -11.837 7.805 1.00 0.00 H new ATOM 0 HB VAL A 39 2.697 -11.371 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.115 -11.570 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.763 -10.122 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.528 -11.538 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.819 -13.552 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.106 -13.734 6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.442 -13.693 6.177 1.00 0.00 H new ATOM 613 N GLN A 40 3.825 -12.919 9.206 1.00 0.00 N ATOM 614 CA GLN A 40 4.805 -13.479 10.145 1.00 0.00 C ATOM 615 C GLN A 40 6.162 -13.713 9.455 1.00 0.00 C ATOM 616 O GLN A 40 6.227 -14.265 8.354 1.00 0.00 O ATOM 617 CB GLN A 40 4.246 -14.753 10.805 1.00 0.00 C ATOM 618 CG GLN A 40 3.602 -15.743 9.813 1.00 0.00 C ATOM 619 CD GLN A 40 3.168 -17.066 10.452 1.00 0.00 C ATOM 620 OE1 GLN A 40 3.259 -17.295 11.653 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.667 -17.999 9.669 1.00 0.00 N ATOM 0 H GLN A 40 3.079 -13.571 8.963 1.00 0.00 H new ATOM 0 HA GLN A 40 4.986 -12.757 10.941 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.053 -15.259 11.335 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.504 -14.468 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.734 -15.270 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.311 -15.953 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.581 -17.832 8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.365 -18.889 10.065 1.00 0.00 H new ATOM 630 N SER A 41 7.256 -13.276 10.083 1.00 0.00 N ATOM 631 CA SER A 41 8.582 -13.269 9.465 1.00 0.00 C ATOM 632 C SER A 41 9.272 -14.633 9.453 1.00 0.00 C ATOM 633 O SER A 41 9.206 -15.369 10.444 1.00 0.00 O ATOM 634 CB SER A 41 9.505 -12.285 10.174 1.00 0.00 C ATOM 635 OG SER A 41 10.664 -12.076 9.396 1.00 0.00 O ATOM 0 H SER A 41 7.246 -12.916 11.037 1.00 0.00 H new ATOM 0 HA SER A 41 8.405 -12.973 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.988 -11.339 10.336 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.779 -12.671 11.156 1.00 0.00 H new ATOM 0 HG SER A 41 10.820 -11.114 9.294 1.00 0.00 H new ATOM 641 N PRO A 42 10.029 -14.937 8.381 1.00 0.00 N ATOM 642 CA PRO A 42 10.996 -16.019 8.379 1.00 0.00 C ATOM 643 C PRO A 42 12.338 -15.652 9.052 1.00 0.00 C ATOM 644 O PRO A 42 13.158 -16.547 9.266 1.00 0.00 O ATOM 645 CB PRO A 42 11.153 -16.392 6.901 1.00 0.00 C ATOM 646 CG PRO A 42 10.962 -15.055 6.186 1.00 0.00 C ATOM 647 CD PRO A 42 9.946 -14.324 7.064 1.00 0.00 C ATOM 0 HA PRO A 42 10.650 -16.860 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.133 -16.823 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.410 -17.126 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.899 -14.503 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.590 -15.192 5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.172 -13.259 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.940 -14.417 6.655 1.00 0.00 H new ATOM 655 N MET A 43 12.578 -14.371 9.393 1.00 0.00 N ATOM 656 CA MET A 43 13.836 -13.893 10.007 1.00 0.00 C ATOM 657 C MET A 43 13.689 -13.211 11.380 1.00 0.00 C ATOM 658 O MET A 43 14.656 -13.156 12.144 1.00 0.00 O ATOM 659 CB MET A 43 14.592 -12.992 9.026 1.00 0.00 C ATOM 660 CG MET A 43 14.048 -11.563 8.893 1.00 0.00 C ATOM 661 SD MET A 43 14.289 -10.811 7.262 1.00 0.00 S ATOM 662 CE MET A 43 13.163 -11.875 6.319 1.00 0.00 C ATOM 0 H MET A 43 11.895 -13.627 9.248 1.00 0.00 H new ATOM 0 HA MET A 43 14.412 -14.795 10.216 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.635 -12.938 9.338 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.577 -13.461 8.042 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.982 -11.572 9.120 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.529 -10.934 9.643 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.791 -11.332 5.450 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.696 -12.766 5.989 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.324 -12.167 6.951 1.00 0.00 H new ATOM 672 N PHE A 44 12.501 -12.690 11.695 1.00 0.00 N ATOM 673 CA PHE A 44 12.190 -11.934 12.914 1.00 0.00 C ATOM 674 C PHE A 44 11.188 -12.677 13.819 1.00 0.00 C ATOM 675 O PHE A 44 10.430 -13.541 13.375 1.00 0.00 O ATOM 676 CB PHE A 44 11.716 -10.524 12.514 1.00 0.00 C ATOM 677 CG PHE A 44 11.343 -9.621 13.676 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.345 -9.110 14.522 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.991 -9.321 13.934 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.996 -8.309 15.625 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.643 -8.518 15.035 1.00 0.00 C ATOM 682 CZ PHE A 44 10.646 -8.014 15.882 1.00 0.00 C ATOM 0 H PHE A 44 11.692 -12.787 11.081 1.00 0.00 H new ATOM 0 HA PHE A 44 13.090 -11.835 13.521 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.505 -10.042 11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.853 -10.620 11.856 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.383 -9.333 14.324 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.220 -9.709 13.285 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.766 -7.920 16.275 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.606 -8.289 15.230 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.379 -7.400 16.730 1.00 0.00 H new ATOM 692 N ASP A 45 11.172 -12.328 15.104 1.00 0.00 N ATOM 693 CA ASP A 45 10.355 -12.961 16.152 1.00 0.00 C ATOM 694 C ASP A 45 8.964 -12.299 16.285 1.00 0.00 C ATOM 695 O ASP A 45 8.539 -11.896 17.372 1.00 0.00 O ATOM 696 CB ASP A 45 11.166 -12.998 17.460 1.00 0.00 C ATOM 697 CG ASP A 45 10.492 -13.828 18.571 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.943 -14.918 18.276 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.556 -13.421 19.757 1.00 0.00 O ATOM 0 H ASP A 45 11.748 -11.567 15.464 1.00 0.00 H new ATOM 0 HA ASP A 45 10.130 -13.991 15.876 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.154 -13.411 17.256 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.314 -11.979 17.817 1.00 0.00 H new ATOM 704 N GLY A 46 8.265 -12.126 15.157 1.00 0.00 N ATOM 705 CA GLY A 46 6.988 -11.419 15.082 1.00 0.00 C ATOM 706 C GLY A 46 6.525 -11.140 13.650 1.00 0.00 C ATOM 707 O GLY A 46 6.934 -11.806 12.692 1.00 0.00 O ATOM 0 H GLY A 46 8.580 -12.482 14.255 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.226 -12.007 15.593 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.074 -10.474 15.618 1.00 0.00 H new ATOM 711 N LYS A 47 5.652 -10.139 13.517 1.00 0.00 N ATOM 712 CA LYS A 47 4.979 -9.736 12.276 1.00 0.00 C ATOM 713 C LYS A 47 5.719 -8.559 11.632 1.00 0.00 C ATOM 714 O LYS A 47 6.148 -7.637 12.329 1.00 0.00 O ATOM 715 CB LYS A 47 3.504 -9.415 12.589 1.00 0.00 C ATOM 716 CG LYS A 47 2.727 -10.635 13.143 1.00 0.00 C ATOM 717 CD LYS A 47 2.043 -11.485 12.064 1.00 0.00 C ATOM 718 CE LYS A 47 0.770 -10.839 11.499 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.386 -10.960 12.430 1.00 0.00 N ATOM 0 H LYS A 47 5.381 -9.558 14.310 1.00 0.00 H new ATOM 0 HA LYS A 47 4.997 -10.548 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.460 -8.603 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.014 -9.060 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.416 -11.266 13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.972 -10.283 13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.746 -11.660 11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.792 -12.459 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.960 -9.785 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.518 -11.308 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.222 -10.510 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.586 -11.965 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.158 -10.490 13.329 1.00 0.00 H new ATOM 733 N VAL A 48 5.876 -8.600 10.310 1.00 0.00 N ATOM 734 CA VAL A 48 6.695 -7.672 9.512 1.00 0.00 C ATOM 735 C VAL A 48 5.935 -7.151 8.281 1.00 0.00 C ATOM 736 O VAL A 48 5.141 -7.899 7.700 1.00 0.00 O ATOM 737 CB VAL A 48 8.026 -8.318 9.071 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.956 -8.529 10.274 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.850 -9.653 8.332 1.00 0.00 C ATOM 0 H VAL A 48 5.419 -9.309 9.736 1.00 0.00 H new ATOM 0 HA VAL A 48 6.919 -6.826 10.161 1.00 0.00 H new ATOM 0 HB VAL A 48 8.470 -7.614 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.887 -8.985 9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.171 -7.568 10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.471 -9.184 10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.828 -10.046 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.344 -10.366 8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.253 -9.496 7.434 1.00 0.00 H new ATOM 749 N PRO A 49 6.145 -5.885 7.866 1.00 0.00 N ATOM 750 CA PRO A 49 5.488 -5.311 6.696 1.00 0.00 C ATOM 751 C PRO A 49 6.206 -5.692 5.389 1.00 0.00 C ATOM 752 O PRO A 49 7.407 -5.460 5.233 1.00 0.00 O ATOM 753 CB PRO A 49 5.494 -3.797 6.936 1.00 0.00 C ATOM 754 CG PRO A 49 6.767 -3.575 7.752 1.00 0.00 C ATOM 755 CD PRO A 49 6.890 -4.853 8.582 1.00 0.00 C ATOM 0 HA PRO A 49 4.474 -5.693 6.576 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.515 -3.241 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.606 -3.472 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.635 -3.430 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.688 -2.692 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.935 -5.140 8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.485 -4.706 9.583 1.00 0.00 H new ATOM 763 N HIS A 50 5.475 -6.249 4.420 1.00 0.00 N ATOM 764 CA HIS A 50 5.972 -6.528 3.065 1.00 0.00 C ATOM 765 C HIS A 50 5.603 -5.378 2.145 1.00 0.00 C ATOM 766 O HIS A 50 4.451 -5.286 1.746 1.00 0.00 O ATOM 767 CB HIS A 50 5.423 -7.875 2.561 1.00 0.00 C ATOM 768 CG HIS A 50 6.217 -9.058 3.054 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.384 -10.272 2.382 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.913 -9.104 4.224 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.172 -11.022 3.171 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.521 -10.339 4.276 1.00 0.00 N ATOM 0 H HIS A 50 4.502 -6.525 4.555 1.00 0.00 H new ATOM 0 HA HIS A 50 7.059 -6.612 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.387 -7.981 2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.421 -7.875 1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.976 -8.323 4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.482 -12.032 2.949 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.129 -10.676 5.022 1.00 0.00 H new ATOM 780 N TRP A 51 6.559 -4.497 1.846 1.00 0.00 N ATOM 781 CA TRP A 51 6.343 -3.291 1.050 1.00 0.00 C ATOM 782 C TRP A 51 6.277 -3.592 -0.451 1.00 0.00 C ATOM 783 O TRP A 51 6.989 -4.450 -0.969 1.00 0.00 O ATOM 784 CB TRP A 51 7.464 -2.284 1.325 1.00 0.00 C ATOM 785 CG TRP A 51 7.514 -1.775 2.731 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.306 -2.243 3.722 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.710 -0.715 3.325 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.033 -1.562 4.892 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.027 -0.636 4.715 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.719 0.165 2.836 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.365 0.239 5.587 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.037 1.036 3.707 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.354 1.069 5.077 1.00 0.00 C ATOM 0 H TRP A 51 7.524 -4.606 2.157 1.00 0.00 H new ATOM 0 HA TRP A 51 5.381 -2.872 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.420 -2.751 1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.347 -1.436 0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.039 -3.029 3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.515 -1.724 5.776 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.482 0.170 1.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.628 0.274 6.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.264 1.684 3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.818 1.734 5.738 1.00 0.00 H new ATOM 804 N TYR A 52 5.465 -2.834 -1.170 1.00 0.00 N ATOM 805 CA TYR A 52 5.424 -2.829 -2.624 1.00 0.00 C ATOM 806 C TYR A 52 5.025 -1.433 -3.137 1.00 0.00 C ATOM 807 O TYR A 52 4.449 -0.624 -2.402 1.00 0.00 O ATOM 808 CB TYR A 52 4.488 -3.927 -3.177 1.00 0.00 C ATOM 809 CG TYR A 52 4.149 -5.171 -2.363 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.296 -5.113 -1.240 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.599 -6.425 -2.821 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.909 -6.299 -0.578 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.205 -7.608 -2.172 1.00 0.00 C ATOM 814 CZ TYR A 52 3.370 -7.550 -1.040 1.00 0.00 C ATOM 815 OH TYR A 52 3.027 -8.705 -0.408 1.00 0.00 O ATOM 0 H TYR A 52 4.798 -2.188 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 52 6.424 -3.059 -2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.543 -3.443 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.924 -4.271 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.938 -4.158 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.253 -6.478 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.259 -6.248 0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.544 -8.564 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 52 3.438 -9.465 -0.870 1.00 0.00 H new ATOM 825 N HIS A 53 5.295 -1.142 -4.413 1.00 0.00 N ATOM 826 CA HIS A 53 4.705 0.021 -5.107 1.00 0.00 C ATOM 827 C HIS A 53 3.163 -0.016 -5.027 1.00 0.00 C ATOM 828 O HIS A 53 2.578 -1.091 -4.874 1.00 0.00 O ATOM 829 CB HIS A 53 5.133 0.050 -6.586 1.00 0.00 C ATOM 830 CG HIS A 53 6.618 0.157 -6.857 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.478 -0.847 -7.319 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.329 1.321 -6.771 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.675 -0.267 -7.495 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.613 1.036 -7.180 1.00 0.00 N ATOM 0 H HIS A 53 5.922 -1.697 -4.995 1.00 0.00 H new ATOM 0 HA HIS A 53 5.069 0.920 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.763 -0.856 -7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.637 0.892 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.956 2.280 -6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.562 -0.776 -7.841 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.384 1.701 -7.234 1.00 0.00 H new ATOM 842 N PHE A 54 2.490 1.134 -5.189 1.00 0.00 N ATOM 843 CA PHE A 54 1.017 1.209 -5.193 1.00 0.00 C ATOM 844 C PHE A 54 0.371 0.162 -6.121 1.00 0.00 C ATOM 845 O PHE A 54 -0.515 -0.572 -5.688 1.00 0.00 O ATOM 846 CB PHE A 54 0.563 2.625 -5.593 1.00 0.00 C ATOM 847 CG PHE A 54 -0.908 2.729 -5.978 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.909 2.835 -4.991 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.279 2.684 -7.338 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.265 2.909 -5.364 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.635 2.730 -7.707 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.627 2.839 -6.719 1.00 0.00 C ATOM 0 H PHE A 54 2.948 2.036 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 54 0.681 0.986 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.758 3.304 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.171 2.965 -6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.635 2.860 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.517 2.614 -8.100 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.027 3.020 -4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.913 2.682 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.669 2.869 -7.001 1.00 0.00 H new ATOM 862 N SER A 55 0.834 0.038 -7.373 1.00 0.00 N ATOM 863 CA SER A 55 0.273 -0.914 -8.337 1.00 0.00 C ATOM 864 C SER A 55 0.709 -2.350 -8.067 1.00 0.00 C ATOM 865 O SER A 55 -0.043 -3.277 -8.355 1.00 0.00 O ATOM 866 CB SER A 55 0.625 -0.519 -9.768 1.00 0.00 C ATOM 867 OG SER A 55 2.026 -0.413 -9.945 1.00 0.00 O ATOM 0 H SER A 55 1.605 0.594 -7.743 1.00 0.00 H new ATOM 0 HA SER A 55 -0.809 -0.874 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.224 -1.259 -10.460 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.153 0.433 -10.011 1.00 0.00 H new ATOM 0 HG SER A 55 2.269 0.527 -10.076 1.00 0.00 H new ATOM 873 N CYS A 56 1.897 -2.554 -7.495 1.00 0.00 N ATOM 874 CA CYS A 56 2.421 -3.872 -7.172 1.00 0.00 C ATOM 875 C CYS A 56 1.578 -4.599 -6.105 1.00 0.00 C ATOM 876 O CYS A 56 1.347 -5.802 -6.227 1.00 0.00 O ATOM 877 CB CYS A 56 3.888 -3.729 -6.773 1.00 0.00 C ATOM 878 SG CYS A 56 4.915 -3.277 -8.223 1.00 0.00 S ATOM 0 H CYS A 56 2.528 -1.793 -7.241 1.00 0.00 H new ATOM 0 HA CYS A 56 2.356 -4.509 -8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.987 -2.967 -6.000 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.246 -4.665 -6.345 1.00 0.00 H new ATOM 883 N PHE A 57 1.025 -3.876 -5.125 1.00 0.00 N ATOM 884 CA PHE A 57 0.001 -4.417 -4.220 1.00 0.00 C ATOM 885 C PHE A 57 -1.202 -4.981 -5.001 1.00 0.00 C ATOM 886 O PHE A 57 -1.660 -6.093 -4.737 1.00 0.00 O ATOM 887 CB PHE A 57 -0.437 -3.326 -3.239 1.00 0.00 C ATOM 888 CG PHE A 57 -1.496 -3.781 -2.251 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.844 -3.867 -2.655 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.142 -4.137 -0.935 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.822 -4.339 -1.766 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.133 -4.562 -0.032 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.470 -4.678 -0.450 1.00 0.00 C ATOM 0 H PHE A 57 1.272 -2.905 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 57 0.431 -5.248 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.435 -2.975 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.821 -2.476 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.125 -3.568 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.110 -4.084 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.846 -4.441 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.866 -4.800 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.224 -5.027 0.239 1.00 0.00 H new ATOM 903 N TRP A 58 -1.684 -4.259 -6.016 1.00 0.00 N ATOM 904 CA TRP A 58 -2.803 -4.694 -6.860 1.00 0.00 C ATOM 905 C TRP A 58 -2.418 -5.789 -7.880 1.00 0.00 C ATOM 906 O TRP A 58 -3.305 -6.486 -8.378 1.00 0.00 O ATOM 907 CB TRP A 58 -3.444 -3.468 -7.519 1.00 0.00 C ATOM 908 CG TRP A 58 -3.874 -2.383 -6.566 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.341 -1.143 -6.528 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.877 -2.403 -5.493 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.849 -0.435 -5.462 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.808 -1.157 -4.790 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.850 -3.328 -5.045 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.637 -0.856 -3.699 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.693 -3.031 -3.958 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.585 -1.801 -3.288 1.00 0.00 C ATOM 0 H TRP A 58 -1.306 -3.349 -6.278 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.541 -5.176 -6.219 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -2.735 -3.045 -8.231 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.313 -3.794 -8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.618 -0.761 -7.234 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.552 0.506 -5.203 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.947 -4.279 -5.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.545 0.089 -3.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.428 -3.754 -3.637 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.235 -1.584 -2.453 1.00 0.00 H new ATOM 927 N LYS A 59 -1.117 -6.017 -8.134 1.00 0.00 N ATOM 928 CA LYS A 59 -0.588 -7.183 -8.878 1.00 0.00 C ATOM 929 C LYS A 59 -0.510 -8.434 -7.992 1.00 0.00 C ATOM 930 O LYS A 59 -0.633 -9.549 -8.498 1.00 0.00 O ATOM 931 CB LYS A 59 0.792 -6.863 -9.481 1.00 0.00 C ATOM 932 CG LYS A 59 0.739 -5.776 -10.567 1.00 0.00 C ATOM 933 CD LYS A 59 2.128 -5.169 -10.850 1.00 0.00 C ATOM 934 CE LYS A 59 1.978 -3.658 -11.051 1.00 0.00 C ATOM 935 NZ LYS A 59 3.215 -2.911 -10.718 1.00 0.00 N ATOM 0 H LYS A 59 -0.383 -5.382 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.284 -7.396 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.463 -6.541 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.216 -7.773 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.336 -6.202 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.056 -4.986 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.805 -5.373 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.565 -5.626 -11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.706 -3.459 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.160 -3.293 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.973 -1.929 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.686 -3.363 -9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.855 -2.916 -11.538 1.00 0.00 H new ATOM 949 N VAL A 60 -0.346 -8.259 -6.675 1.00 0.00 N ATOM 950 CA VAL A 60 -0.532 -9.319 -5.660 1.00 0.00 C ATOM 951 C VAL A 60 -2.030 -9.597 -5.437 1.00 0.00 C ATOM 952 O VAL A 60 -2.424 -10.743 -5.222 1.00 0.00 O ATOM 953 CB VAL A 60 0.209 -8.951 -4.357 1.00 0.00 C ATOM 954 CG1 VAL A 60 -0.006 -9.967 -3.230 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.718 -8.870 -4.612 1.00 0.00 C ATOM 0 H VAL A 60 -0.075 -7.362 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.092 -10.248 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.203 -7.991 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.542 -9.648 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.069 -10.031 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.355 -10.945 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.230 -8.610 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.079 -9.835 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.919 -8.108 -5.364 1.00 0.00 H new ATOM 965 N GLY A 61 -2.878 -8.575 -5.592 1.00 0.00 N ATOM 966 CA GLY A 61 -4.322 -8.717 -5.821 1.00 0.00 C ATOM 967 C GLY A 61 -5.165 -9.011 -4.575 1.00 0.00 C ATOM 968 O GLY A 61 -6.250 -9.584 -4.695 1.00 0.00 O ATOM 0 H GLY A 61 -2.573 -7.602 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.691 -7.799 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.480 -9.519 -6.542 1.00 0.00 H new ATOM 972 N HIS A 62 -4.684 -8.650 -3.381 1.00 0.00 N ATOM 973 CA HIS A 62 -5.430 -8.814 -2.125 1.00 0.00 C ATOM 974 C HIS A 62 -6.617 -7.836 -2.045 1.00 0.00 C ATOM 975 O HIS A 62 -6.474 -6.642 -2.324 1.00 0.00 O ATOM 976 CB HIS A 62 -4.488 -8.658 -0.921 1.00 0.00 C ATOM 977 CG HIS A 62 -3.634 -9.868 -0.606 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.145 -10.188 0.665 1.00 0.00 N ATOM 979 CD2 HIS A 62 -3.228 -10.837 -1.481 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.450 -11.329 0.524 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.483 -11.741 -0.754 1.00 0.00 N ATOM 0 H HIS A 62 -3.761 -8.233 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.845 -9.821 -2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.831 -7.808 -1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.086 -8.417 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.448 -10.885 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.938 -11.842 1.324 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.034 -12.579 -1.123 1.00 0.00 H new ATOM 989 N SER A 63 -7.794 -8.343 -1.669 1.00 0.00 N ATOM 990 CA SER A 63 -9.053 -7.580 -1.644 1.00 0.00 C ATOM 991 C SER A 63 -9.255 -6.813 -0.339 1.00 0.00 C ATOM 992 O SER A 63 -8.968 -7.308 0.751 1.00 0.00 O ATOM 993 CB SER A 63 -10.256 -8.499 -1.892 1.00 0.00 C ATOM 994 OG SER A 63 -10.142 -9.149 -3.149 1.00 0.00 O ATOM 0 H SER A 63 -7.905 -9.311 -1.368 1.00 0.00 H new ATOM 0 HA SER A 63 -8.980 -6.848 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.322 -9.242 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.177 -7.917 -1.861 1.00 0.00 H new ATOM 0 HG SER A 63 -10.918 -9.732 -3.288 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.801 -5.603 -0.461 1.00 0.00 N ATOM 1001 CA ILE A 64 -10.012 -4.651 0.633 1.00 0.00 C ATOM 1002 C ILE A 64 -11.482 -4.215 0.601 1.00 0.00 C ATOM 1003 O ILE A 64 -12.009 -3.887 -0.467 1.00 0.00 O ATOM 1004 CB ILE A 64 -9.045 -3.449 0.501 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.617 -3.833 0.040 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -9.018 -2.669 1.827 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.602 -2.685 0.107 1.00 0.00 C ATOM 0 H ILE A 64 -10.122 -5.244 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.797 -5.115 1.596 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.432 -2.814 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.258 -4.656 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.665 -4.200 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.338 -1.822 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.020 -2.307 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.677 -3.325 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.629 -3.039 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.934 -1.868 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.520 -2.331 1.135 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.160 -4.251 1.752 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.627 -4.086 1.880 1.00 0.00 C ATOM 1021 C ARG A 65 -14.041 -3.009 2.889 1.00 0.00 C ATOM 1022 O ARG A 65 -15.142 -2.470 2.786 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.319 -5.443 2.154 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.602 -6.370 3.154 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.589 -7.301 2.464 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.392 -7.503 3.295 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.579 -8.539 3.307 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.757 -9.600 2.570 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.557 -8.502 4.103 1.00 0.00 N ATOM 0 H ARG A 65 -11.699 -4.399 2.650 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.978 -3.718 0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.325 -5.248 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.425 -5.973 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.087 -5.766 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.341 -6.970 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.058 -8.263 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.299 -6.877 1.503 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.164 -6.748 3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.559 -9.657 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.094 -10.373 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.402 -7.687 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.908 -9.288 4.136 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.148 -2.641 3.809 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.246 -1.449 4.660 1.00 0.00 C ATOM 1045 C HIS A 66 -11.880 -0.748 4.734 1.00 0.00 C ATOM 1046 O HIS A 66 -11.204 -0.793 5.762 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.932 -1.741 6.015 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.450 -2.877 6.899 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.489 -2.870 8.299 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -13.096 -4.134 6.502 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.111 -4.098 8.695 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.864 -4.877 7.633 1.00 0.00 N ATOM 0 H HIS A 66 -12.304 -3.184 3.990 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.924 -0.728 4.204 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.875 -0.828 6.607 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.987 -1.921 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.013 -4.481 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.019 -4.412 9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.558 -5.850 7.660 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.427 -0.120 3.627 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.046 0.336 3.470 1.00 0.00 C ATOM 1062 C PRO A 67 -9.588 1.370 4.500 1.00 0.00 C ATOM 1063 O PRO A 67 -8.444 1.303 4.938 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.941 0.888 2.038 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.388 1.204 1.673 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.159 0.106 2.388 1.00 0.00 C ATOM 0 HA PRO A 67 -9.375 -0.505 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.313 1.778 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.505 0.157 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.685 2.196 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.549 1.177 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.187 0.410 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.205 -0.801 1.785 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.466 2.262 4.967 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.131 3.227 6.023 1.00 0.00 C ATOM 1076 C ASP A 68 -9.830 2.554 7.380 1.00 0.00 C ATOM 1077 O ASP A 68 -9.216 3.161 8.260 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.287 4.236 6.122 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.097 5.290 7.231 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.248 6.198 7.072 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.840 5.240 8.242 1.00 0.00 O ATOM 0 H ASP A 68 -11.425 2.337 4.627 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.207 3.741 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.396 4.745 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.216 3.695 6.303 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.225 1.286 7.534 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.997 0.459 8.724 1.00 0.00 C ATOM 1088 C VAL A 69 -8.830 -0.513 8.522 1.00 0.00 C ATOM 1089 O VAL A 69 -8.017 -0.700 9.430 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.275 -0.322 9.098 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.152 -0.952 10.490 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.532 0.559 9.082 1.00 0.00 C ATOM 0 H VAL A 69 -10.733 0.787 6.803 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.738 1.132 9.542 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.378 -1.097 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.067 -1.495 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.307 -1.641 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.994 -0.169 11.231 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.401 -0.041 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.416 1.372 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.674 0.973 8.084 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.737 -1.127 7.338 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.793 -2.221 7.037 1.00 0.00 C ATOM 1104 C GLU A 70 -6.425 -1.741 6.552 1.00 0.00 C ATOM 1105 O GLU A 70 -5.413 -2.375 6.848 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.379 -3.146 5.950 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.661 -3.886 6.337 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.148 -4.775 5.178 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.799 -4.271 4.231 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.901 -6.004 5.207 1.00 0.00 O ATOM 0 H GLU A 70 -9.325 -0.876 6.543 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.649 -2.747 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.579 -2.550 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.623 -3.882 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.481 -4.498 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.436 -3.167 6.601 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.402 -0.632 5.811 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.200 0.040 5.315 1.00 0.00 C ATOM 1119 C VAL A 71 -4.741 1.046 6.362 1.00 0.00 C ATOM 1120 O VAL A 71 -5.217 2.177 6.449 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.447 0.669 3.943 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.093 1.081 3.394 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.052 -0.331 2.951 1.00 0.00 C ATOM 0 H VAL A 71 -7.259 -0.157 5.528 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.398 -0.682 5.163 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.140 1.502 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.222 1.536 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.630 1.800 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.454 0.203 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.210 0.160 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.371 -1.172 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.006 -0.693 3.335 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.783 0.619 7.171 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.059 1.492 8.086 1.00 0.00 C ATOM 1135 C ASP A 72 -2.225 2.536 7.313 1.00 0.00 C ATOM 1136 O ASP A 72 -1.732 2.272 6.222 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.234 0.593 9.005 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.259 1.391 9.875 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.717 2.152 10.756 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.033 1.299 9.635 1.00 0.00 O ATOM 0 H ASP A 72 -3.482 -0.355 7.212 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.737 2.086 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.904 0.020 9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.677 -0.125 8.403 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.114 3.756 7.834 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.392 4.868 7.191 1.00 0.00 C ATOM 1147 C GLY A 73 -2.186 5.605 6.105 1.00 0.00 C ATOM 1148 O GLY A 73 -1.776 6.673 5.660 1.00 0.00 O ATOM 0 H GLY A 73 -2.528 4.011 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.100 5.585 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.473 4.480 6.750 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.378 5.117 5.752 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.374 5.810 4.921 1.00 0.00 C ATOM 1154 C PHE A 74 -4.771 7.186 5.493 1.00 0.00 C ATOM 1155 O PHE A 74 -5.138 8.092 4.747 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.577 4.861 4.834 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.734 5.322 3.980 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.769 4.993 2.614 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.801 6.031 4.564 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.863 5.390 1.830 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.893 6.431 3.777 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.912 6.117 2.409 1.00 0.00 C ATOM 0 H PHE A 74 -3.691 4.192 6.047 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.966 6.031 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.229 3.902 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.947 4.684 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.957 4.437 2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.780 6.267 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.897 5.135 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.713 6.976 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.742 6.438 1.797 1.00 0.00 H new ATOM 1172 N SER A 75 -4.648 7.379 6.808 1.00 0.00 N ATOM 1173 CA SER A 75 -4.760 8.682 7.484 1.00 0.00 C ATOM 1174 C SER A 75 -3.671 9.693 7.082 1.00 0.00 C ATOM 1175 O SER A 75 -3.914 10.901 7.110 1.00 0.00 O ATOM 1176 CB SER A 75 -4.696 8.462 9.000 1.00 0.00 C ATOM 1177 OG SER A 75 -3.598 7.624 9.342 1.00 0.00 O ATOM 0 H SER A 75 -4.462 6.613 7.455 1.00 0.00 H new ATOM 0 HA SER A 75 -5.713 9.111 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.599 9.422 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.626 8.011 9.346 1.00 0.00 H new ATOM 0 HG SER A 75 -3.573 7.497 10.313 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.485 9.227 6.680 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.353 10.064 6.250 1.00 0.00 C ATOM 1185 C GLU A 76 -1.488 10.530 4.784 1.00 0.00 C ATOM 1186 O GLU A 76 -0.867 11.518 4.388 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.015 9.323 6.464 1.00 0.00 C ATOM 1188 CG GLU A 76 0.184 8.806 7.900 1.00 0.00 C ATOM 1189 CD GLU A 76 1.571 8.158 8.094 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.590 8.892 8.098 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.652 6.917 8.273 1.00 0.00 O ATOM 0 H GLU A 76 -2.277 8.229 6.642 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.365 10.959 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.038 8.481 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.806 9.994 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.068 9.632 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.592 8.078 8.134 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.334 9.857 3.991 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.784 10.309 2.667 1.00 0.00 C ATOM 1200 C LEU A 77 -3.753 11.500 2.800 1.00 0.00 C ATOM 1201 O LEU A 77 -4.277 11.788 3.882 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.471 9.149 1.910 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.578 8.090 1.245 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.484 7.509 2.136 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.473 6.964 0.723 1.00 0.00 C ATOM 0 H LEU A 77 -2.735 8.959 4.260 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.911 10.633 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.130 8.637 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.105 9.584 1.137 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.044 8.598 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.910 6.772 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.822 8.309 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.938 7.031 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.857 6.201 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.022 6.521 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.178 7.367 -0.004 1.00 0.00 H new ATOM 1217 N ARG A 78 -4.032 12.177 1.681 1.00 0.00 N ATOM 1218 CA ARG A 78 -5.086 13.198 1.530 1.00 0.00 C ATOM 1219 C ARG A 78 -6.203 12.741 0.599 1.00 0.00 C ATOM 1220 O ARG A 78 -6.089 11.715 -0.072 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.474 14.550 1.112 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.723 15.256 2.254 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.631 15.583 3.455 1.00 0.00 C ATOM 1224 NE ARG A 78 -4.597 14.532 4.494 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.021 14.620 5.741 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.529 15.716 6.229 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.945 13.588 6.530 1.00 0.00 N ATOM 0 H ARG A 78 -3.511 12.026 0.817 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.558 13.341 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.788 14.389 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.267 15.204 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.901 14.623 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.282 16.178 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.321 16.532 3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.656 15.712 3.107 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.200 13.635 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.610 16.546 5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.846 15.744 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.557 12.710 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.273 13.657 7.493 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.309 13.489 0.611 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.609 13.083 0.070 1.00 0.00 C ATOM 1243 C TRP A 79 -8.546 12.514 -1.361 1.00 0.00 C ATOM 1244 O TRP A 79 -9.146 11.477 -1.625 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.609 14.250 0.213 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.457 14.582 -0.979 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.713 14.139 -1.218 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.118 15.443 -2.107 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.172 14.669 -2.412 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.227 15.484 -3.003 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.974 16.188 -2.463 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.206 16.238 -4.186 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.940 16.950 -3.645 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.053 16.978 -4.506 1.00 0.00 C ATOM 0 H TRP A 79 -7.325 14.427 1.012 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.965 12.240 0.662 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.274 14.024 1.047 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.047 15.143 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.272 13.474 -0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.094 14.481 -2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.109 16.173 -1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.064 16.250 -4.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.055 17.517 -3.893 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.022 17.567 -5.411 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.766 13.106 -2.269 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.679 12.654 -3.667 1.00 0.00 C ATOM 1267 C ASP A 80 -7.005 11.275 -3.829 1.00 0.00 C ATOM 1268 O ASP A 80 -7.321 10.520 -4.748 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.939 13.718 -4.491 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.950 13.400 -5.998 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.041 13.435 -6.617 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.865 13.154 -6.576 1.00 0.00 O ATOM 0 H ASP A 80 -7.176 13.911 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.698 12.528 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.401 14.691 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.908 13.791 -4.145 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.080 10.938 -2.930 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.342 9.672 -2.896 1.00 0.00 C ATOM 1279 C ASP A 81 -6.108 8.625 -2.086 1.00 0.00 C ATOM 1280 O ASP A 81 -6.206 7.477 -2.510 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.921 9.898 -2.360 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.015 10.487 -3.452 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.559 9.702 -4.317 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.774 11.717 -3.467 1.00 0.00 O ATOM 0 H ASP A 81 -5.812 11.566 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.248 9.285 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.953 10.572 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.506 8.954 -2.007 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.735 9.038 -0.982 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.689 8.237 -0.215 1.00 0.00 C ATOM 1291 C GLN A 82 -8.831 7.738 -1.104 1.00 0.00 C ATOM 1292 O GLN A 82 -9.073 6.537 -1.185 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.251 9.093 0.931 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.263 9.203 2.096 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.740 10.137 3.211 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.641 10.952 3.060 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.134 10.077 4.374 1.00 0.00 N ATOM 0 H GLN A 82 -6.588 9.967 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.174 7.365 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.486 10.090 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.185 8.657 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.091 8.210 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.305 9.560 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.381 9.406 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.417 10.702 5.129 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.486 8.634 -1.843 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.596 8.291 -2.736 1.00 0.00 C ATOM 1308 C GLN A 83 -10.145 7.430 -3.924 1.00 0.00 C ATOM 1309 O GLN A 83 -10.919 6.598 -4.386 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.284 9.580 -3.215 1.00 0.00 C ATOM 1311 CG GLN A 83 -12.004 10.326 -2.075 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.326 9.667 -1.678 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.419 8.885 -0.738 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -14.403 9.937 -2.386 1.00 0.00 N ATOM 0 H GLN A 83 -9.259 9.629 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.309 7.687 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.541 10.239 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.004 9.335 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.349 10.369 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.194 11.354 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.347 10.585 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.293 9.498 -2.148 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.889 7.542 -4.376 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.297 6.714 -5.425 1.00 0.00 C ATOM 1325 C LYS A 84 -7.974 5.327 -4.884 1.00 0.00 C ATOM 1326 O LYS A 84 -8.240 4.351 -5.575 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.094 7.488 -5.992 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.174 6.724 -6.956 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.040 5.965 -6.248 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.082 6.818 -5.400 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.374 7.861 -6.187 1.00 0.00 N ATOM 0 H LYS A 84 -8.239 8.236 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.986 6.528 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.470 8.371 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.492 7.841 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.771 6.016 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.741 7.428 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.485 5.206 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.455 5.440 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.645 7.296 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.347 6.166 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.823 8.466 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.734 7.406 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.069 8.442 -6.698 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.486 5.208 -3.647 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.246 3.903 -2.990 1.00 0.00 C ATOM 1347 C VAL A 85 -8.574 3.188 -2.720 1.00 0.00 C ATOM 1348 O VAL A 85 -8.713 2.012 -3.055 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.409 4.082 -1.701 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.404 2.854 -0.775 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.946 4.392 -2.040 1.00 0.00 C ATOM 0 H VAL A 85 -7.243 6.009 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.666 3.272 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.892 4.907 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.795 3.064 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.424 2.629 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.990 1.998 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.377 4.514 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.525 3.571 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.895 5.312 -2.622 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.585 3.908 -2.214 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.954 3.398 -2.023 1.00 0.00 C ATOM 1363 C LYS A 86 -11.577 2.943 -3.350 1.00 0.00 C ATOM 1364 O LYS A 86 -12.044 1.809 -3.446 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.826 4.470 -1.345 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.433 4.735 0.121 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.187 5.927 0.727 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.684 5.665 0.896 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.402 6.931 1.201 1.00 0.00 N ATOM 0 H LYS A 86 -9.474 4.878 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.903 2.524 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.750 5.400 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.870 4.158 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.634 3.843 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.360 4.921 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.754 6.168 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.046 6.800 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.087 5.222 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.845 4.946 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.426 6.783 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.192 7.223 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.090 7.674 0.543 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.504 3.770 -4.401 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.011 3.419 -5.744 1.00 0.00 C ATOM 1385 C LYS A 87 -11.254 2.249 -6.361 1.00 0.00 C ATOM 1386 O LYS A 87 -11.880 1.365 -6.931 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.994 4.628 -6.677 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.193 5.538 -6.374 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.157 6.720 -7.334 1.00 0.00 C ATOM 1390 CE LYS A 87 -14.324 7.677 -7.065 1.00 0.00 C ATOM 1391 NZ LYS A 87 -14.331 8.814 -8.023 1.00 0.00 N ATOM 0 H LYS A 87 -11.093 4.702 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.045 3.101 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.064 5.183 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.030 4.298 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.126 4.986 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.153 5.887 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.212 7.253 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.205 6.361 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.266 7.133 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.255 8.059 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.133 9.441 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.442 9.347 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.422 8.450 -8.993 1.00 0.00 H new ATOM 1405 N THR A 88 -9.935 2.186 -6.194 1.00 0.00 N ATOM 1406 CA THR A 88 -9.100 1.076 -6.676 1.00 0.00 C ATOM 1407 C THR A 88 -9.429 -0.248 -5.978 1.00 0.00 C ATOM 1408 O THR A 88 -9.437 -1.292 -6.631 1.00 0.00 O ATOM 1409 CB THR A 88 -7.607 1.409 -6.550 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.304 2.551 -7.319 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.746 0.299 -7.125 1.00 0.00 C ATOM 0 H THR A 88 -9.404 2.912 -5.714 1.00 0.00 H new ATOM 0 HA THR A 88 -9.332 0.944 -7.733 1.00 0.00 H new ATOM 0 HB THR A 88 -7.406 1.555 -5.489 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.495 3.358 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.694 0.564 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.941 -0.629 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.984 0.164 -8.180 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.783 -0.223 -4.690 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.235 -1.401 -3.957 1.00 0.00 C ATOM 1421 C ALA A 89 -11.613 -1.868 -4.456 1.00 0.00 C ATOM 1422 O ALA A 89 -11.833 -3.067 -4.634 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.265 -1.064 -2.465 1.00 0.00 C ATOM 0 H ALA A 89 -9.762 0.626 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.544 -2.227 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.601 -1.935 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.265 -0.783 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.950 -0.234 -2.293 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.517 -0.929 -4.762 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.823 -1.244 -5.361 1.00 0.00 C ATOM 1431 C GLU A 90 -13.706 -1.749 -6.812 1.00 0.00 C ATOM 1432 O GLU A 90 -14.476 -2.607 -7.248 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.760 -0.025 -5.305 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.194 0.319 -3.877 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.217 1.472 -3.876 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.807 2.658 -3.857 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.443 1.200 -3.890 1.00 0.00 O ATOM 0 H GLU A 90 -12.366 0.067 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.246 -2.054 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.257 0.836 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.644 -0.222 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.631 -0.560 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.323 0.600 -3.285 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.711 -1.246 -7.546 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.382 -1.604 -8.924 1.00 0.00 C ATOM 1446 C ALA A 91 -11.604 -2.934 -9.056 1.00 0.00 C ATOM 1447 O ALA A 91 -11.414 -3.429 -10.171 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.600 -0.421 -9.513 1.00 0.00 C ATOM 0 H ALA A 91 -12.079 -0.538 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.303 -1.786 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.330 -0.641 -10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.219 0.476 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.695 -0.256 -8.929 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.153 -3.522 -7.941 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.388 -4.775 -7.914 1.00 0.00 C ATOM 1456 C GLY A 92 -8.930 -4.641 -8.377 1.00 0.00 C ATOM 1457 O GLY A 92 -8.356 -5.616 -8.869 1.00 0.00 O ATOM 0 H GLY A 92 -11.313 -3.132 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.399 -5.171 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.891 -5.507 -8.546 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.329 -3.455 -8.231 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.930 -3.174 -8.550 1.00 0.00 C ATOM 1463 C GLY A 93 -6.710 -2.346 -9.821 1.00 0.00 C ATOM 1464 O GLY A 93 -7.452 -2.452 -10.799 1.00 0.00 O ATOM 0 H GLY A 93 -8.823 -2.637 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.480 -2.647 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.399 -4.120 -8.654 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.655 -1.525 -9.792 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.177 -0.673 -10.900 1.00 0.00 C ATOM 1470 C VAL A 94 -3.666 -0.829 -11.091 1.00 0.00 C ATOM 1471 O VAL A 94 -2.906 -0.956 -10.127 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.551 0.813 -10.677 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -4.804 1.787 -11.606 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -7.050 1.028 -10.921 1.00 0.00 C ATOM 0 H VAL A 94 -5.079 -1.428 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.676 -1.005 -11.810 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.266 1.025 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.118 2.808 -11.391 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.730 1.695 -11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.034 1.548 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.298 2.077 -10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.295 0.750 -11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.623 0.410 -10.230 1.00 0.00 H new ATOM 1484 N THR A 95 -3.234 -0.765 -12.350 1.00 0.00 N ATOM 1485 CA THR A 95 -1.828 -0.773 -12.786 1.00 0.00 C ATOM 1486 C THR A 95 -1.519 0.422 -13.700 1.00 0.00 C ATOM 1487 O THR A 95 -2.427 1.134 -14.139 1.00 0.00 O ATOM 1488 CB THR A 95 -1.471 -2.113 -13.453 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.253 -2.318 -14.612 1.00 0.00 O ATOM 1490 CG2 THR A 95 -1.725 -3.280 -12.497 1.00 0.00 C ATOM 0 H THR A 95 -3.882 -0.703 -13.135 1.00 0.00 H new ATOM 0 HA THR A 95 -1.198 -0.668 -11.903 1.00 0.00 H new ATOM 0 HB THR A 95 -0.414 -2.072 -13.718 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.011 -3.174 -15.023 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.466 -4.217 -12.990 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.113 -3.158 -11.604 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.778 -3.297 -12.216 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.232 0.686 -13.958 1.00 0.00 N ATOM 1499 CA GLY A 96 0.221 1.849 -14.740 1.00 0.00 C ATOM 1500 C GLY A 96 0.622 3.082 -13.913 1.00 0.00 C ATOM 1501 O GLY A 96 0.927 4.128 -14.492 1.00 0.00 O ATOM 0 H GLY A 96 0.532 0.096 -13.629 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.074 1.547 -15.348 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.575 2.136 -15.427 1.00 0.00 H new ATOM 1505 N LYS A 97 0.630 2.973 -12.576 1.00 0.00 N ATOM 1506 CA LYS A 97 1.050 4.018 -11.619 1.00 0.00 C ATOM 1507 C LYS A 97 2.093 3.461 -10.646 1.00 0.00 C ATOM 1508 O LYS A 97 1.996 2.305 -10.233 1.00 0.00 O ATOM 1509 CB LYS A 97 -0.178 4.595 -10.886 1.00 0.00 C ATOM 1510 CG LYS A 97 -1.140 5.300 -11.858 1.00 0.00 C ATOM 1511 CD LYS A 97 -2.320 5.962 -11.136 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.230 6.630 -12.176 1.00 0.00 C ATOM 1513 NZ LYS A 97 -4.386 7.321 -11.546 1.00 0.00 N ATOM 0 H LYS A 97 0.331 2.118 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 97 1.520 4.837 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.705 3.792 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.151 5.301 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.593 6.055 -12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.519 4.576 -12.579 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.879 5.218 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.958 6.702 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.651 7.349 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.595 5.877 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.974 7.758 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.954 6.632 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.039 8.057 -10.899 1.00 0.00 H new ATOM 1527 N GLY A 98 3.104 4.255 -10.294 1.00 0.00 N ATOM 1528 CA GLY A 98 4.330 3.740 -9.665 1.00 0.00 C ATOM 1529 C GLY A 98 5.177 2.902 -10.638 1.00 0.00 C ATOM 1530 O GLY A 98 5.046 3.033 -11.857 1.00 0.00 O ATOM 0 H GLY A 98 3.102 5.265 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.925 4.575 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.064 3.131 -8.801 1.00 0.00 H new ATOM 1534 N GLN A 99 6.055 2.043 -10.101 1.00 0.00 N ATOM 1535 CA GLN A 99 7.010 1.215 -10.866 1.00 0.00 C ATOM 1536 C GLN A 99 7.869 2.035 -11.857 1.00 0.00 C ATOM 1537 O GLN A 99 8.099 1.653 -13.006 1.00 0.00 O ATOM 1538 CB GLN A 99 6.295 -0.019 -11.459 1.00 0.00 C ATOM 1539 CG GLN A 99 7.263 -1.164 -11.820 1.00 0.00 C ATOM 1540 CD GLN A 99 6.575 -2.403 -12.397 1.00 0.00 C ATOM 1541 OE1 GLN A 99 5.356 -2.519 -12.474 1.00 0.00 O ATOM 1542 NE2 GLN A 99 7.327 -3.391 -12.827 1.00 0.00 N ATOM 0 H GLN A 99 6.126 1.898 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 99 7.760 0.820 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.560 -0.385 -10.742 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.747 0.281 -12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.991 -0.796 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.818 -1.452 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.343 -3.319 -12.774 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.895 -4.230 -13.214 1.00 0.00 H new ATOM 1551 N ASP A 100 8.335 3.197 -11.396 1.00 0.00 N ATOM 1552 CA ASP A 100 9.184 4.136 -12.137 1.00 0.00 C ATOM 1553 C ASP A 100 10.113 4.887 -11.167 1.00 0.00 C ATOM 1554 O ASP A 100 9.685 5.292 -10.082 1.00 0.00 O ATOM 1555 CB ASP A 100 8.286 5.103 -12.916 1.00 0.00 C ATOM 1556 CG ASP A 100 9.098 6.123 -13.731 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.992 5.706 -14.506 1.00 0.00 O ATOM 1558 OD2 ASP A 100 8.848 7.345 -13.600 1.00 0.00 O ATOM 0 H ASP A 100 8.122 3.525 -10.454 1.00 0.00 H new ATOM 0 HA ASP A 100 9.816 3.597 -12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.641 4.536 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.635 5.632 -12.220 1.00 0.00 H new ATOM 1563 N GLY A 101 11.389 5.046 -11.534 1.00 0.00 N ATOM 1564 CA GLY A 101 12.458 5.420 -10.596 1.00 0.00 C ATOM 1565 C GLY A 101 12.824 4.288 -9.619 1.00 0.00 C ATOM 1566 O GLY A 101 12.275 3.184 -9.683 1.00 0.00 O ATOM 0 H GLY A 101 11.713 4.919 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.345 5.706 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.145 6.296 -10.028 1.00 0.00 H new ATOM 1570 N ILE A 102 13.776 4.551 -8.718 1.00 0.00 N ATOM 1571 CA ILE A 102 14.278 3.575 -7.734 1.00 0.00 C ATOM 1572 C ILE A 102 14.710 4.252 -6.420 1.00 0.00 C ATOM 1573 O ILE A 102 15.222 5.374 -6.423 1.00 0.00 O ATOM 1574 CB ILE A 102 15.406 2.719 -8.368 1.00 0.00 C ATOM 1575 CG1 ILE A 102 15.673 1.446 -7.536 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.692 3.531 -8.613 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.678 0.477 -8.170 1.00 0.00 C ATOM 0 H ILE A 102 14.230 5.462 -8.647 1.00 0.00 H new ATOM 0 HA ILE A 102 13.464 2.904 -7.462 1.00 0.00 H new ATOM 0 HB ILE A 102 15.056 2.402 -9.351 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.040 1.739 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.729 0.923 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.450 2.886 -9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.477 4.358 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.060 3.924 -7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.807 -0.389 -7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.306 0.151 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.636 0.980 -8.299 1.00 0.00 H new ATOM 1589 N GLY A 103 14.499 3.574 -5.288 1.00 0.00 N ATOM 1590 CA GLY A 103 15.037 3.969 -3.980 1.00 0.00 C ATOM 1591 C GLY A 103 16.548 3.711 -3.881 1.00 0.00 C ATOM 1592 O GLY A 103 17.006 2.611 -4.200 1.00 0.00 O ATOM 0 H GLY A 103 13.941 2.721 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.837 5.027 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.522 3.417 -3.194 1.00 0.00 H new ATOM 1596 N SER A 104 17.317 4.713 -3.440 1.00 0.00 N ATOM 1597 CA SER A 104 18.792 4.715 -3.479 1.00 0.00 C ATOM 1598 C SER A 104 19.437 5.115 -2.144 1.00 0.00 C ATOM 1599 O SER A 104 18.853 5.852 -1.344 1.00 0.00 O ATOM 1600 CB SER A 104 19.298 5.657 -4.581 1.00 0.00 C ATOM 1601 OG SER A 104 18.890 5.201 -5.863 1.00 0.00 O ATOM 0 H SER A 104 16.927 5.565 -3.037 1.00 0.00 H new ATOM 0 HA SER A 104 19.087 3.687 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.915 6.663 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.386 5.719 -4.541 1.00 0.00 H new ATOM 0 HG SER A 104 19.221 5.816 -6.550 1.00 0.00 H new ATOM 1607 N LYS A 105 20.676 4.650 -1.927 1.00 0.00 N ATOM 1608 CA LYS A 105 21.538 4.995 -0.780 1.00 0.00 C ATOM 1609 C LYS A 105 22.140 6.408 -0.876 1.00 0.00 C ATOM 1610 O LYS A 105 22.224 6.989 -1.961 1.00 0.00 O ATOM 1611 CB LYS A 105 22.620 3.910 -0.591 1.00 0.00 C ATOM 1612 CG LYS A 105 23.542 3.722 -1.814 1.00 0.00 C ATOM 1613 CD LYS A 105 24.628 2.657 -1.580 1.00 0.00 C ATOM 1614 CE LYS A 105 25.739 3.099 -0.614 1.00 0.00 C ATOM 1615 NZ LYS A 105 26.646 4.104 -1.229 1.00 0.00 N ATOM 0 H LYS A 105 21.125 3.997 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 105 20.908 5.018 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.230 4.167 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 105 22.133 2.961 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.940 3.438 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.017 4.673 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.159 1.754 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 105 25.077 2.394 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.290 3.519 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 105 26.318 2.229 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 27.317 4.450 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 27.171 3.665 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 26.086 4.901 -1.592 1.00 0.00 H new ATOM 1629 N ALA A 106 22.591 6.936 0.262 1.00 0.00 N ATOM 1630 CA ALA A 106 23.303 8.199 0.412 1.00 0.00 C ATOM 1631 C ALA A 106 24.227 8.121 1.643 1.00 0.00 C ATOM 1632 O ALA A 106 23.875 7.534 2.671 1.00 0.00 O ATOM 1633 CB ALA A 106 22.289 9.344 0.546 1.00 0.00 C ATOM 0 H ALA A 106 22.460 6.462 1.156 1.00 0.00 H new ATOM 0 HA ALA A 106 23.919 8.391 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 106 22.820 10.289 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 106 21.664 9.383 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 106 21.662 9.174 1.421 1.00 0.00 H new ATOM 1639 N GLU A 107 25.413 8.712 1.531 1.00 0.00 N ATOM 1640 CA GLU A 107 26.453 8.759 2.574 1.00 0.00 C ATOM 1641 C GLU A 107 27.228 10.096 2.587 1.00 0.00 C ATOM 1642 O GLU A 107 27.194 10.858 1.614 1.00 0.00 O ATOM 1643 CB GLU A 107 27.401 7.551 2.428 1.00 0.00 C ATOM 1644 CG GLU A 107 28.237 7.552 1.139 1.00 0.00 C ATOM 1645 CD GLU A 107 29.049 6.251 1.015 1.00 0.00 C ATOM 1646 OE1 GLU A 107 28.528 5.273 0.424 1.00 0.00 O ATOM 1647 OE2 GLU A 107 30.208 6.193 1.496 1.00 0.00 O ATOM 0 H GLU A 107 25.695 9.194 0.678 1.00 0.00 H new ATOM 0 HA GLU A 107 25.953 8.698 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 107 28.076 7.529 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.811 6.635 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.582 7.661 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 107 28.911 8.409 1.138 1.00 0.00 H new ATOM 1654 N LYS A 108 27.923 10.379 3.699 1.00 0.00 N ATOM 1655 CA LYS A 108 28.721 11.602 3.919 1.00 0.00 C ATOM 1656 C LYS A 108 30.093 11.544 3.228 1.00 0.00 C ATOM 1657 O LYS A 108 30.819 10.538 3.400 1.00 0.00 O ATOM 1658 CB LYS A 108 28.867 11.878 5.427 1.00 0.00 C ATOM 1659 CG LYS A 108 27.526 12.194 6.111 1.00 0.00 C ATOM 1660 CD LYS A 108 27.729 12.509 7.598 1.00 0.00 C ATOM 1661 CE LYS A 108 26.381 12.818 8.262 1.00 0.00 C ATOM 1662 NZ LYS A 108 26.541 13.126 9.708 1.00 0.00 N ATOM 1663 OXT LYS A 108 30.447 12.523 2.531 1.00 0.00 O ATOM 0 H LYS A 108 27.948 9.745 4.497 1.00 0.00 H new ATOM 0 HA LYS A 108 28.182 12.430 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.319 11.010 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 108 29.550 12.715 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.053 13.043 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.850 11.345 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 108 28.202 11.662 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 108 28.401 13.360 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 108 25.912 13.664 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.712 11.966 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 25.610 13.330 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 26.966 12.309 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 27.159 13.955 9.820 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 7.123 -2.798 -7.614 1.00 0.00 ZN