USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 SER OG : rot -60:sc= 0.369 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.325 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.514 USER MOD Set 2.2: A 73 LYS NZ :NH3+ -169:sc= 1.72 (180deg=1.23) USER MOD Set 3.1: A 4 ASN : amide:sc= 0.907 K(o=2.2,f=-4.6!) USER MOD Set 3.2: A 6 SER OG : rot 102:sc= 1.27 USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.0703 (180deg=0) USER MOD Single : A 2 SER OG : rot 121:sc= 0.169 USER MOD Single : A 3 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.84) USER MOD Single : A 5 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.3!) USER MOD Single : A 8 SER OG : rot -86:sc= 0.171 USER MOD Single : A 11 TYR OH : rot 54:sc= 0.309 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0702) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.115 K(o=0.11,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.142 (180deg=-0.862) USER MOD Single : A 20 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 69:sc= 1.3 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -107:sc= -0.898 (180deg=-1.95) USER MOD Single : A 48 GLN : amide:sc= -0.564 K(o=-0.56,f=-5.7!) USER MOD Single : A 53 MET CE :methyl -161:sc= -0.116 (180deg=-0.62) USER MOD Single : A 54 GLN : amide:sc= 0.897 K(o=0.9,f=-6.3!) USER MOD Single : A 68 MET CE :methyl 147:sc= -4.74! (180deg=-6.03!) USER MOD Single : A 72 ASN : amide:sc= 1.21 K(o=1.2,f=-0.015) USER MOD Single : A 78 CYS SG : rot -24:sc= -1.83 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -107:sc= 1.25 USER MOD Single : A 94 ASN : amide:sc= 0.115 K(o=0.12,f=-5.5!) USER MOD Single : A 103 MET CE :methyl -132:sc= -0.564 (180deg=-3.79!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -101:sc= 0.519 USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0311) USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 110 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.05) USER MOD Single : A 113 HIS : no HD1:sc= -0.0913 K(o=-0.091,f=-2.6!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 115 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.21) USER MOD Single : A 116 HIS : no HD1:sc= -1.02 K(o=-1,f=0.3) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.605 -11.381 15.744 1.00 0.00 N ATOM 2 CA SER A 1 -5.071 -10.150 15.129 1.00 0.00 C ATOM 3 C SER A 1 -3.777 -9.727 15.811 1.00 0.00 C ATOM 4 O SER A 1 -3.531 -10.069 16.968 1.00 0.00 O ATOM 5 CB SER A 1 -6.105 -9.025 15.223 1.00 0.00 C ATOM 6 OG SER A 1 -7.272 -9.334 14.478 1.00 0.00 O ATOM 0 H1 SER A 1 -5.554 -12.162 15.059 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.042 -11.621 16.585 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.595 -11.229 16.022 1.00 0.00 H new ATOM 0 HA SER A 1 -4.859 -10.353 14.079 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.371 -8.859 16.267 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.670 -8.097 14.853 1.00 0.00 H new ATOM 0 HG SER A 1 -7.035 -9.459 13.535 1.00 0.00 H new ATOM 14 N SER A 2 -2.944 -8.995 15.087 1.00 0.00 N ATOM 15 CA SER A 2 -1.705 -8.488 15.637 1.00 0.00 C ATOM 16 C SER A 2 -1.976 -7.343 16.609 1.00 0.00 C ATOM 17 O SER A 2 -2.899 -6.553 16.409 1.00 0.00 O ATOM 18 CB SER A 2 -0.799 -8.019 14.498 1.00 0.00 C ATOM 19 OG SER A 2 -1.521 -7.212 13.577 1.00 0.00 O ATOM 0 H SER A 2 -3.109 -8.740 14.113 1.00 0.00 H new ATOM 0 HA SER A 2 -1.207 -9.286 16.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.040 -7.453 14.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.381 -8.883 13.981 1.00 0.00 H new ATOM 0 HG SER A 2 -1.108 -6.325 13.525 1.00 0.00 H new ATOM 25 N ASN A 3 -1.175 -7.265 17.663 1.00 0.00 N ATOM 26 CA ASN A 3 -1.276 -6.173 18.626 1.00 0.00 C ATOM 27 C ASN A 3 -0.472 -4.986 18.125 1.00 0.00 C ATOM 28 O ASN A 3 -0.446 -3.918 18.739 1.00 0.00 O ATOM 29 CB ASN A 3 -0.778 -6.614 20.005 1.00 0.00 C ATOM 30 CG ASN A 3 -1.693 -7.633 20.656 1.00 0.00 C ATOM 31 OD1 ASN A 3 -2.909 -7.617 20.450 1.00 0.00 O ATOM 32 ND2 ASN A 3 -1.120 -8.530 21.441 1.00 0.00 N ATOM 0 H ASN A 3 -0.446 -7.946 17.875 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.322 -5.885 18.727 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.221 -7.038 19.908 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.693 -5.741 20.653 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.687 -9.242 21.901 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.111 -8.510 21.586 1.00 0.00 H new ATOM 39 N ASN A 4 0.204 -5.204 17.010 1.00 0.00 N ATOM 40 CA ASN A 4 0.911 -4.153 16.306 1.00 0.00 C ATOM 41 C ASN A 4 0.223 -3.929 14.964 1.00 0.00 C ATOM 42 O ASN A 4 0.324 -4.759 14.059 1.00 0.00 O ATOM 43 CB ASN A 4 2.379 -4.547 16.099 1.00 0.00 C ATOM 44 CG ASN A 4 3.235 -3.410 15.567 1.00 0.00 C ATOM 45 OD1 ASN A 4 2.748 -2.515 14.879 1.00 0.00 O ATOM 46 ND2 ASN A 4 4.524 -3.446 15.875 1.00 0.00 N ATOM 0 H ASN A 4 0.277 -6.120 16.567 1.00 0.00 H new ATOM 0 HA ASN A 4 0.891 -3.233 16.889 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.793 -4.892 17.047 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.429 -5.386 15.405 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.149 -2.714 15.538 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.890 -4.206 16.449 1.00 0.00 H new ATOM 53 N ASN A 5 -0.495 -2.823 14.847 1.00 0.00 N ATOM 54 CA ASN A 5 -1.302 -2.561 13.660 1.00 0.00 C ATOM 55 C ASN A 5 -0.587 -1.637 12.681 1.00 0.00 C ATOM 56 O ASN A 5 -1.230 -0.925 11.904 1.00 0.00 O ATOM 57 CB ASN A 5 -2.652 -1.959 14.063 1.00 0.00 C ATOM 58 CG ASN A 5 -3.540 -2.959 14.779 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.490 -4.157 14.508 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.360 -2.473 15.699 1.00 0.00 N ATOM 0 H ASN A 5 -0.537 -2.092 15.557 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.466 -3.513 13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.484 -1.098 14.710 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.164 -1.594 13.173 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.980 -3.100 16.212 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.371 -1.472 15.895 1.00 0.00 H new ATOM 67 N SER A 6 0.740 -1.662 12.705 1.00 0.00 N ATOM 68 CA SER A 6 1.529 -0.899 11.748 1.00 0.00 C ATOM 69 C SER A 6 1.377 -1.494 10.351 1.00 0.00 C ATOM 70 O SER A 6 1.128 -2.696 10.199 1.00 0.00 O ATOM 71 CB SER A 6 3.002 -0.878 12.159 1.00 0.00 C ATOM 72 OG SER A 6 3.155 -0.346 13.464 1.00 0.00 O ATOM 0 H SER A 6 1.290 -2.200 13.374 1.00 0.00 H new ATOM 0 HA SER A 6 1.162 0.127 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.408 -1.889 12.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.573 -0.280 11.449 1.00 0.00 H new ATOM 0 HG SER A 6 3.297 -1.077 14.101 1.00 0.00 H new ATOM 78 N PHE A 7 1.517 -0.645 9.341 1.00 0.00 N ATOM 79 CA PHE A 7 1.338 -1.053 7.956 1.00 0.00 C ATOM 80 C PHE A 7 2.261 -2.215 7.599 1.00 0.00 C ATOM 81 O PHE A 7 1.825 -3.182 6.983 1.00 0.00 O ATOM 82 CB PHE A 7 1.592 0.129 7.017 1.00 0.00 C ATOM 83 CG PHE A 7 1.258 -0.161 5.580 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.046 -0.053 5.126 1.00 0.00 C ATOM 85 CD2 PHE A 7 2.247 -0.539 4.685 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.360 -0.315 3.807 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.940 -0.804 3.363 1.00 0.00 C ATOM 88 CZ PHE A 7 0.634 -0.691 2.924 1.00 0.00 C ATOM 0 H PHE A 7 1.756 0.340 9.459 1.00 0.00 H new ATOM 0 HA PHE A 7 0.308 -1.389 7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.003 0.982 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.641 0.418 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.827 0.240 5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.269 -0.627 5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.381 -0.226 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.719 -1.099 2.675 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.391 -0.896 1.892 1.00 0.00 H new ATOM 98 N SER A 8 3.524 -2.122 8.005 1.00 0.00 N ATOM 99 CA SER A 8 4.518 -3.140 7.680 1.00 0.00 C ATOM 100 C SER A 8 4.130 -4.510 8.240 1.00 0.00 C ATOM 101 O SER A 8 4.306 -5.534 7.576 1.00 0.00 O ATOM 102 CB SER A 8 5.883 -2.713 8.219 1.00 0.00 C ATOM 103 OG SER A 8 5.797 -2.359 9.589 1.00 0.00 O ATOM 0 H SER A 8 3.885 -1.348 8.563 1.00 0.00 H new ATOM 0 HA SER A 8 4.566 -3.234 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.599 -3.526 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.257 -1.867 7.643 1.00 0.00 H new ATOM 0 HG SER A 8 5.532 -1.419 9.668 1.00 0.00 H new ATOM 109 N ALA A 9 3.595 -4.519 9.454 1.00 0.00 N ATOM 110 CA ALA A 9 3.198 -5.758 10.109 1.00 0.00 C ATOM 111 C ALA A 9 2.107 -6.468 9.314 1.00 0.00 C ATOM 112 O ALA A 9 2.207 -7.662 9.015 1.00 0.00 O ATOM 113 CB ALA A 9 2.727 -5.472 11.527 1.00 0.00 C ATOM 0 H ALA A 9 3.426 -3.679 10.007 1.00 0.00 H new ATOM 0 HA ALA A 9 4.064 -6.418 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.433 -6.405 12.008 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.537 -5.012 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.874 -4.794 11.497 1.00 0.00 H new ATOM 119 N ILE A 10 1.077 -5.716 8.955 1.00 0.00 N ATOM 120 CA ILE A 10 -0.034 -6.250 8.183 1.00 0.00 C ATOM 121 C ILE A 10 0.415 -6.563 6.758 1.00 0.00 C ATOM 122 O ILE A 10 -0.005 -7.558 6.164 1.00 0.00 O ATOM 123 CB ILE A 10 -1.214 -5.256 8.164 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.627 -4.922 9.600 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.391 -5.831 7.387 1.00 0.00 C ATOM 126 CD1 ILE A 10 -2.685 -3.847 9.699 1.00 0.00 C ATOM 0 H ILE A 10 0.988 -4.727 9.188 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.369 -7.172 8.658 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.898 -4.341 7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.997 -5.827 10.081 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.746 -4.603 10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.212 -5.114 7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.085 -6.034 6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.720 -6.758 7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.924 -3.667 10.747 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.312 -2.927 9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.583 -4.171 9.173 1.00 0.00 H new ATOM 138 N TYR A 11 1.284 -5.709 6.228 1.00 0.00 N ATOM 139 CA TYR A 11 1.874 -5.907 4.912 1.00 0.00 C ATOM 140 C TYR A 11 2.559 -7.267 4.817 1.00 0.00 C ATOM 141 O TYR A 11 2.372 -7.981 3.839 1.00 0.00 O ATOM 142 CB TYR A 11 2.850 -4.759 4.605 1.00 0.00 C ATOM 143 CG TYR A 11 4.064 -5.136 3.779 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.956 -5.456 2.430 1.00 0.00 C ATOM 145 CD2 TYR A 11 5.328 -5.151 4.357 1.00 0.00 C ATOM 146 CE1 TYR A 11 5.074 -5.784 1.686 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.447 -5.481 3.621 1.00 0.00 C ATOM 148 CZ TYR A 11 6.316 -5.796 2.288 1.00 0.00 C ATOM 149 OH TYR A 11 7.432 -6.116 1.554 1.00 0.00 O ATOM 0 H TYR A 11 1.598 -4.861 6.700 1.00 0.00 H new ATOM 0 HA TYR A 11 1.082 -5.897 4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.306 -3.973 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.192 -4.335 5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.985 -5.448 1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.436 -4.900 5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.976 -6.030 0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.421 -5.492 4.088 1.00 0.00 H new ATOM 0 HH TYR A 11 7.483 -5.535 0.767 1.00 0.00 H new ATOM 159 N LYS A 12 3.329 -7.638 5.836 1.00 0.00 N ATOM 160 CA LYS A 12 4.013 -8.926 5.819 1.00 0.00 C ATOM 161 C LYS A 12 3.017 -10.080 5.887 1.00 0.00 C ATOM 162 O LYS A 12 3.185 -11.087 5.200 1.00 0.00 O ATOM 163 CB LYS A 12 5.033 -9.045 6.955 1.00 0.00 C ATOM 164 CG LYS A 12 5.715 -10.406 6.994 1.00 0.00 C ATOM 165 CD LYS A 12 6.908 -10.425 7.932 1.00 0.00 C ATOM 166 CE LYS A 12 7.589 -11.789 7.930 1.00 0.00 C ATOM 167 NZ LYS A 12 6.734 -12.842 8.546 1.00 0.00 N ATOM 0 H LYS A 12 3.493 -7.075 6.671 1.00 0.00 H new ATOM 0 HA LYS A 12 4.553 -8.984 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.789 -8.268 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.533 -8.867 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.996 -11.162 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.041 -10.676 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.622 -9.658 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.583 -10.179 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.830 -12.072 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.532 -11.724 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.283 -13.719 8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.413 -12.524 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.909 -13.019 7.938 1.00 0.00 H new ATOM 181 N GLU A 13 1.980 -9.933 6.709 1.00 0.00 N ATOM 182 CA GLU A 13 0.956 -10.967 6.830 1.00 0.00 C ATOM 183 C GLU A 13 0.243 -11.158 5.492 1.00 0.00 C ATOM 184 O GLU A 13 0.086 -12.282 5.008 1.00 0.00 O ATOM 185 CB GLU A 13 -0.052 -10.607 7.926 1.00 0.00 C ATOM 186 CG GLU A 13 -1.084 -11.697 8.179 1.00 0.00 C ATOM 187 CD GLU A 13 -2.066 -11.339 9.276 1.00 0.00 C ATOM 188 OE1 GLU A 13 -3.115 -10.732 8.968 1.00 0.00 O ATOM 189 OE2 GLU A 13 -1.806 -11.674 10.447 1.00 0.00 O ATOM 0 H GLU A 13 1.827 -9.114 7.297 1.00 0.00 H new ATOM 0 HA GLU A 13 1.440 -11.903 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.486 -10.404 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.566 -9.687 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.632 -11.892 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.571 -12.621 8.446 1.00 0.00 H new ATOM 196 N TRP A 14 -0.166 -10.042 4.894 1.00 0.00 N ATOM 197 CA TRP A 14 -0.803 -10.049 3.583 1.00 0.00 C ATOM 198 C TRP A 14 0.151 -10.608 2.529 1.00 0.00 C ATOM 199 O TRP A 14 -0.217 -11.495 1.760 1.00 0.00 O ATOM 200 CB TRP A 14 -1.247 -8.622 3.220 1.00 0.00 C ATOM 201 CG TRP A 14 -1.636 -8.437 1.783 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.859 -8.664 1.219 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.790 -7.965 0.727 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.819 -8.373 -0.126 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.560 -7.943 -0.448 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.549 -7.564 0.664 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.036 -7.534 -1.671 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.066 -7.157 -0.549 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.276 -7.145 -1.702 1.00 0.00 C ATOM 0 H TRP A 14 -0.065 -9.113 5.303 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.682 -10.693 3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.093 -8.347 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.437 -7.932 3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.730 -9.020 1.750 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.600 -8.463 -0.776 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.167 -7.573 1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.643 -7.524 -2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.098 -6.843 -0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.710 -6.822 -2.637 1.00 0.00 H new ATOM 220 N TYR A 15 1.381 -10.098 2.514 1.00 0.00 N ATOM 221 CA TYR A 15 2.388 -10.519 1.546 1.00 0.00 C ATOM 222 C TYR A 15 2.645 -12.016 1.621 1.00 0.00 C ATOM 223 O TYR A 15 2.572 -12.707 0.614 1.00 0.00 O ATOM 224 CB TYR A 15 3.699 -9.760 1.761 1.00 0.00 C ATOM 225 CG TYR A 15 4.880 -10.384 1.048 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.899 -10.500 -0.335 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.970 -10.865 1.763 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.968 -11.082 -0.986 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.046 -11.445 1.119 1.00 0.00 C ATOM 230 CZ TYR A 15 7.039 -11.552 -0.257 1.00 0.00 C ATOM 231 OH TYR A 15 8.108 -12.125 -0.911 1.00 0.00 O ATOM 0 H TYR A 15 1.705 -9.386 3.169 1.00 0.00 H new ATOM 0 HA TYR A 15 1.998 -10.287 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.577 -8.734 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.912 -9.714 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.064 -10.129 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.976 -10.784 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.965 -11.169 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.887 -11.812 1.689 1.00 0.00 H new ATOM 0 HH TYR A 15 8.781 -12.404 -0.256 1.00 0.00 H new ATOM 241 N GLU A 16 2.939 -12.510 2.814 1.00 0.00 N ATOM 242 CA GLU A 16 3.298 -13.911 2.991 1.00 0.00 C ATOM 243 C GLU A 16 2.153 -14.826 2.562 1.00 0.00 C ATOM 244 O GLU A 16 2.378 -15.923 2.046 1.00 0.00 O ATOM 245 CB GLU A 16 3.681 -14.169 4.447 1.00 0.00 C ATOM 246 CG GLU A 16 4.226 -15.563 4.705 1.00 0.00 C ATOM 247 CD GLU A 16 4.747 -15.717 6.115 1.00 0.00 C ATOM 248 OE1 GLU A 16 3.933 -15.921 7.040 1.00 0.00 O ATOM 249 OE2 GLU A 16 5.973 -15.625 6.315 1.00 0.00 O ATOM 0 H GLU A 16 2.936 -11.963 3.675 1.00 0.00 H new ATOM 0 HA GLU A 16 4.156 -14.134 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.428 -13.436 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.805 -14.010 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.441 -16.298 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.028 -15.775 3.997 1.00 0.00 H new ATOM 256 N HIS A 17 0.928 -14.357 2.755 1.00 0.00 N ATOM 257 CA HIS A 17 -0.249 -15.115 2.360 1.00 0.00 C ATOM 258 C HIS A 17 -0.465 -15.008 0.850 1.00 0.00 C ATOM 259 O HIS A 17 -0.774 -15.996 0.185 1.00 0.00 O ATOM 260 CB HIS A 17 -1.482 -14.595 3.107 1.00 0.00 C ATOM 261 CG HIS A 17 -2.694 -15.477 3.003 1.00 0.00 C ATOM 262 ND1 HIS A 17 -2.904 -16.373 1.975 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.766 -15.596 3.821 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.049 -16.998 2.165 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.593 -16.547 3.277 1.00 0.00 N ATOM 0 H HIS A 17 0.724 -13.454 3.183 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.095 -16.163 2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.228 -14.472 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.734 -13.607 2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.271 -16.528 1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.939 -15.044 4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.470 -17.753 1.518 1.00 0.00 H new ATOM 274 N LYS A 18 -0.295 -13.809 0.314 1.00 0.00 N ATOM 275 CA LYS A 18 -0.533 -13.562 -1.102 1.00 0.00 C ATOM 276 C LYS A 18 0.615 -14.120 -1.944 1.00 0.00 C ATOM 277 O LYS A 18 0.472 -14.351 -3.144 1.00 0.00 O ATOM 278 CB LYS A 18 -0.693 -12.062 -1.350 1.00 0.00 C ATOM 279 CG LYS A 18 -1.548 -11.731 -2.560 1.00 0.00 C ATOM 280 CD LYS A 18 -2.995 -12.147 -2.353 1.00 0.00 C ATOM 281 CE LYS A 18 -3.863 -11.732 -3.527 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.293 -12.073 -3.312 1.00 0.00 N ATOM 0 H LYS A 18 0.008 -12.989 0.839 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.452 -14.069 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.136 -11.602 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.293 -11.617 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.501 -10.660 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.146 -12.235 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.049 -13.228 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.378 -11.695 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.767 -10.658 -3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.506 -12.222 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.850 -11.772 -4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.390 -13.101 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.642 -11.585 -2.463 1.00 0.00 H new ATOM 296 N LYS A 19 1.752 -14.342 -1.292 1.00 0.00 N ATOM 297 CA LYS A 19 2.925 -14.938 -1.927 1.00 0.00 C ATOM 298 C LYS A 19 2.625 -16.364 -2.388 1.00 0.00 C ATOM 299 O LYS A 19 3.319 -16.917 -3.241 1.00 0.00 O ATOM 300 CB LYS A 19 4.102 -14.924 -0.943 1.00 0.00 C ATOM 301 CG LYS A 19 5.344 -15.640 -1.443 1.00 0.00 C ATOM 302 CD LYS A 19 6.454 -15.613 -0.409 1.00 0.00 C ATOM 303 CE LYS A 19 7.522 -16.652 -0.712 1.00 0.00 C ATOM 304 NZ LYS A 19 6.953 -18.027 -0.749 1.00 0.00 N ATOM 0 H LYS A 19 1.887 -14.114 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 19 3.189 -14.352 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.360 -13.889 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.784 -15.384 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.097 -16.673 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.691 -15.170 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.906 -14.621 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.036 -15.797 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.990 -16.425 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.305 -16.602 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.696 -18.717 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.182 -18.102 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.583 -18.224 -1.701 1.00 0.00 H new ATOM 318 N GLN A 20 1.574 -16.950 -1.826 1.00 0.00 N ATOM 319 CA GLN A 20 1.138 -18.283 -2.221 1.00 0.00 C ATOM 320 C GLN A 20 0.445 -18.233 -3.581 1.00 0.00 C ATOM 321 O GLN A 20 0.254 -19.257 -4.235 1.00 0.00 O ATOM 322 CB GLN A 20 0.170 -18.850 -1.184 1.00 0.00 C ATOM 323 CG GLN A 20 0.722 -18.886 0.231 1.00 0.00 C ATOM 324 CD GLN A 20 -0.357 -19.194 1.247 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.521 -18.848 1.050 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.011 -19.846 2.337 1.00 0.00 N ATOM 0 H GLN A 20 1.007 -16.521 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 20 2.016 -18.925 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.742 -18.253 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.109 -19.862 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.508 -19.639 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.180 -17.926 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.986 -20.116 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.680 -20.079 3.050 1.00 0.00 H new ATOM 335 N VAL A 21 0.063 -17.033 -3.996 1.00 0.00 N ATOM 336 CA VAL A 21 -0.690 -16.850 -5.228 1.00 0.00 C ATOM 337 C VAL A 21 0.234 -16.498 -6.388 1.00 0.00 C ATOM 338 O VAL A 21 0.098 -17.029 -7.493 1.00 0.00 O ATOM 339 CB VAL A 21 -1.756 -15.745 -5.072 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.615 -15.640 -6.322 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.616 -16.002 -3.844 1.00 0.00 C ATOM 0 H VAL A 21 0.264 -16.168 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.188 -17.795 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.243 -14.793 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.359 -14.855 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.984 -15.400 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.119 -16.590 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.362 -15.213 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.117 -16.965 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.986 -16.013 -2.955 1.00 0.00 H new ATOM 351 N TRP A 22 1.177 -15.609 -6.130 1.00 0.00 N ATOM 352 CA TRP A 22 2.082 -15.137 -7.169 1.00 0.00 C ATOM 353 C TRP A 22 3.321 -16.022 -7.262 1.00 0.00 C ATOM 354 O TRP A 22 3.547 -16.891 -6.418 1.00 0.00 O ATOM 355 CB TRP A 22 2.507 -13.690 -6.903 1.00 0.00 C ATOM 356 CG TRP A 22 1.362 -12.731 -6.783 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.237 -12.686 -7.558 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.242 -11.659 -5.842 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.581 -11.661 -7.145 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.015 -11.014 -6.094 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.051 -11.186 -4.804 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.417 -9.921 -5.349 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.622 -10.099 -4.067 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.396 -9.479 -4.341 1.00 0.00 C ATOM 0 H TRP A 22 1.338 -15.198 -5.210 1.00 0.00 H new ATOM 0 HA TRP A 22 1.545 -15.184 -8.116 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.093 -13.657 -5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.161 -13.360 -7.710 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.022 -13.358 -8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.484 -11.421 -7.554 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.995 -11.662 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.360 -9.439 -5.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.242 -9.721 -3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.086 -8.634 -3.744 1.00 0.00 H new ATOM 375 N SER A 23 4.113 -15.805 -8.300 1.00 0.00 N ATOM 376 CA SER A 23 5.380 -16.494 -8.449 1.00 0.00 C ATOM 377 C SER A 23 6.379 -15.919 -7.448 1.00 0.00 C ATOM 378 O SER A 23 6.378 -14.712 -7.202 1.00 0.00 O ATOM 379 CB SER A 23 5.893 -16.328 -9.880 1.00 0.00 C ATOM 380 OG SER A 23 4.859 -16.582 -10.821 1.00 0.00 O ATOM 0 H SER A 23 3.897 -15.153 -9.054 1.00 0.00 H new ATOM 0 HA SER A 23 5.251 -17.558 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.276 -15.317 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.725 -17.011 -10.054 1.00 0.00 H new ATOM 0 HG SER A 23 5.208 -16.469 -11.730 1.00 0.00 H new ATOM 386 N VAL A 24 7.218 -16.776 -6.874 1.00 0.00 N ATOM 387 CA VAL A 24 8.149 -16.361 -5.825 1.00 0.00 C ATOM 388 C VAL A 24 9.007 -15.165 -6.259 1.00 0.00 C ATOM 389 O VAL A 24 9.268 -14.264 -5.460 1.00 0.00 O ATOM 390 CB VAL A 24 9.057 -17.531 -5.372 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.929 -18.030 -6.514 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.910 -17.124 -4.180 1.00 0.00 C ATOM 0 H VAL A 24 7.274 -17.765 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 24 7.539 -16.050 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 24 8.410 -18.352 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.554 -18.851 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.296 -18.379 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.563 -17.218 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.539 -17.962 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.540 -16.278 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.263 -16.840 -3.350 1.00 0.00 H new ATOM 402 N GLY A 25 9.419 -15.143 -7.522 1.00 0.00 N ATOM 403 CA GLY A 25 10.210 -14.037 -8.022 1.00 0.00 C ATOM 404 C GLY A 25 9.423 -12.743 -8.056 1.00 0.00 C ATOM 405 O GLY A 25 9.880 -11.715 -7.555 1.00 0.00 O ATOM 0 H GLY A 25 9.219 -15.872 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.091 -13.909 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.566 -14.271 -9.025 1.00 0.00 H new ATOM 409 N TYR A 26 8.223 -12.806 -8.623 1.00 0.00 N ATOM 410 CA TYR A 26 7.356 -11.637 -8.717 1.00 0.00 C ATOM 411 C TYR A 26 6.959 -11.165 -7.325 1.00 0.00 C ATOM 412 O TYR A 26 6.905 -9.966 -7.057 1.00 0.00 O ATOM 413 CB TYR A 26 6.106 -11.965 -9.538 1.00 0.00 C ATOM 414 CG TYR A 26 5.231 -10.765 -9.836 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.552 -9.893 -10.869 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.087 -10.504 -9.089 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.761 -8.798 -11.151 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.289 -9.409 -9.366 1.00 0.00 C ATOM 419 CZ TYR A 26 3.631 -8.559 -10.397 1.00 0.00 C ATOM 420 OH TYR A 26 2.838 -7.469 -10.681 1.00 0.00 O ATOM 0 H TYR A 26 7.828 -13.656 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 26 7.903 -10.838 -9.218 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.412 -12.421 -10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.516 -12.707 -9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.436 -10.075 -11.462 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.818 -11.167 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.025 -8.131 -11.958 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.403 -9.220 -8.778 1.00 0.00 H new ATOM 0 HH TYR A 26 2.081 -7.444 -10.059 1.00 0.00 H new ATOM 430 N ALA A 27 6.699 -12.122 -6.441 1.00 0.00 N ATOM 431 CA ALA A 27 6.340 -11.818 -5.065 1.00 0.00 C ATOM 432 C ALA A 27 7.483 -11.098 -4.358 1.00 0.00 C ATOM 433 O ALA A 27 7.260 -10.141 -3.618 1.00 0.00 O ATOM 434 CB ALA A 27 5.967 -13.092 -4.319 1.00 0.00 C ATOM 0 H ALA A 27 6.731 -13.118 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 27 5.473 -11.157 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.701 -12.847 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.117 -13.566 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.815 -13.776 -4.321 1.00 0.00 H new ATOM 440 N THR A 28 8.708 -11.552 -4.601 1.00 0.00 N ATOM 441 CA THR A 28 9.884 -10.919 -4.017 1.00 0.00 C ATOM 442 C THR A 28 10.021 -9.479 -4.511 1.00 0.00 C ATOM 443 O THR A 28 10.220 -8.559 -3.716 1.00 0.00 O ATOM 444 CB THR A 28 11.170 -11.706 -4.349 1.00 0.00 C ATOM 445 OG1 THR A 28 11.037 -13.069 -3.914 1.00 0.00 O ATOM 446 CG2 THR A 28 12.384 -11.080 -3.676 1.00 0.00 C ATOM 0 H THR A 28 8.912 -12.354 -5.197 1.00 0.00 H new ATOM 0 HA THR A 28 9.751 -10.917 -2.935 1.00 0.00 H new ATOM 0 HB THR A 28 11.314 -11.675 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.369 -13.525 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.276 -11.654 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.504 -10.054 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.243 -11.083 -2.595 1.00 0.00 H new ATOM 454 N GLU A 29 9.883 -9.287 -5.820 1.00 0.00 N ATOM 455 CA GLU A 29 10.015 -7.963 -6.411 1.00 0.00 C ATOM 456 C GLU A 29 8.898 -7.034 -5.946 1.00 0.00 C ATOM 457 O GLU A 29 9.142 -5.870 -5.631 1.00 0.00 O ATOM 458 CB GLU A 29 10.028 -8.047 -7.938 1.00 0.00 C ATOM 459 CG GLU A 29 11.184 -8.866 -8.489 1.00 0.00 C ATOM 460 CD GLU A 29 11.441 -8.598 -9.957 1.00 0.00 C ATOM 461 OE1 GLU A 29 12.146 -7.613 -10.263 1.00 0.00 O ATOM 462 OE2 GLU A 29 10.949 -9.369 -10.811 1.00 0.00 O ATOM 0 H GLU A 29 9.680 -10.031 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 29 10.965 -7.548 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.089 -8.483 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.078 -7.039 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.086 -8.643 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.973 -9.926 -8.349 1.00 0.00 H new ATOM 469 N LEU A 30 7.677 -7.556 -5.894 1.00 0.00 N ATOM 470 CA LEU A 30 6.528 -6.772 -5.459 1.00 0.00 C ATOM 471 C LEU A 30 6.699 -6.341 -4.003 1.00 0.00 C ATOM 472 O LEU A 30 6.406 -5.198 -3.646 1.00 0.00 O ATOM 473 CB LEU A 30 5.234 -7.581 -5.655 1.00 0.00 C ATOM 474 CG LEU A 30 3.920 -6.820 -5.420 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.804 -7.431 -6.253 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.530 -6.839 -3.946 1.00 0.00 C ATOM 0 H LEU A 30 7.458 -8.519 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 30 6.460 -5.870 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.226 -7.974 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.260 -8.438 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 30 4.073 -5.784 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.878 -6.883 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.065 -7.374 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.668 -8.475 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.597 -6.293 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.399 -7.870 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.316 -6.368 -3.356 1.00 0.00 H new ATOM 488 N ALA A 31 7.191 -7.252 -3.170 1.00 0.00 N ATOM 489 CA ALA A 31 7.439 -6.944 -1.769 1.00 0.00 C ATOM 490 C ALA A 31 8.541 -5.901 -1.638 1.00 0.00 C ATOM 491 O ALA A 31 8.379 -4.904 -0.939 1.00 0.00 O ATOM 492 CB ALA A 31 7.800 -8.202 -1.001 1.00 0.00 C ATOM 0 H ALA A 31 7.425 -8.207 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 31 6.525 -6.533 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.982 -7.951 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.979 -8.916 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.699 -8.644 -1.429 1.00 0.00 H new ATOM 498 N LYS A 32 9.652 -6.125 -2.337 1.00 0.00 N ATOM 499 CA LYS A 32 10.772 -5.188 -2.321 1.00 0.00 C ATOM 500 C LYS A 32 10.312 -3.797 -2.751 1.00 0.00 C ATOM 501 O LYS A 32 10.791 -2.787 -2.234 1.00 0.00 O ATOM 502 CB LYS A 32 11.896 -5.687 -3.237 1.00 0.00 C ATOM 503 CG LYS A 32 13.093 -4.752 -3.302 1.00 0.00 C ATOM 504 CD LYS A 32 14.214 -5.335 -4.144 1.00 0.00 C ATOM 505 CE LYS A 32 15.379 -4.368 -4.261 1.00 0.00 C ATOM 506 NZ LYS A 32 16.551 -4.991 -4.926 1.00 0.00 N ATOM 0 H LYS A 32 9.800 -6.948 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 32 11.156 -5.124 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.229 -6.665 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.499 -5.825 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.784 -3.794 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.458 -4.557 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.558 -6.269 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.837 -5.575 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.066 -3.489 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.666 -4.023 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.325 -4.299 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.866 -5.815 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.285 -5.297 -5.884 1.00 0.00 H new ATOM 520 N MET A 33 9.375 -3.760 -3.690 1.00 0.00 N ATOM 521 CA MET A 33 8.793 -2.512 -4.164 1.00 0.00 C ATOM 522 C MET A 33 8.046 -1.799 -3.037 1.00 0.00 C ATOM 523 O MET A 33 8.302 -0.630 -2.751 1.00 0.00 O ATOM 524 CB MET A 33 7.851 -2.800 -5.332 1.00 0.00 C ATOM 525 CG MET A 33 7.134 -1.576 -5.864 1.00 0.00 C ATOM 526 SD MET A 33 6.043 -1.966 -7.243 1.00 0.00 S ATOM 527 CE MET A 33 4.928 -3.139 -6.478 1.00 0.00 C ATOM 0 H MET A 33 8.998 -4.593 -4.143 1.00 0.00 H new ATOM 0 HA MET A 33 9.594 -1.855 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.422 -3.254 -6.142 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.109 -3.533 -5.015 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.553 -1.121 -5.062 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.869 -0.837 -6.183 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.148 -4.142 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.057 -3.111 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.899 -2.879 -6.727 1.00 0.00 H new ATOM 537 N PHE A 34 7.134 -2.519 -2.388 1.00 0.00 N ATOM 538 CA PHE A 34 6.367 -1.962 -1.276 1.00 0.00 C ATOM 539 C PHE A 34 7.285 -1.582 -0.121 1.00 0.00 C ATOM 540 O PHE A 34 7.083 -0.568 0.541 1.00 0.00 O ATOM 541 CB PHE A 34 5.308 -2.960 -0.800 1.00 0.00 C ATOM 542 CG PHE A 34 4.006 -2.842 -1.538 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.928 -3.109 -2.895 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.865 -2.432 -0.873 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.732 -2.974 -3.572 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.668 -2.290 -1.547 1.00 0.00 C ATOM 547 CZ PHE A 34 1.601 -2.562 -2.895 1.00 0.00 C ATOM 0 H PHE A 34 6.908 -3.488 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 34 5.866 -1.061 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.694 -3.973 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.129 -2.809 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.812 -3.426 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.910 -2.221 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.681 -3.190 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.785 -1.966 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.665 -2.453 -3.422 1.00 0.00 H new ATOM 557 N ASP A 35 8.294 -2.403 0.106 1.00 0.00 N ATOM 558 CA ASP A 35 9.271 -2.153 1.153 1.00 0.00 C ATOM 559 C ASP A 35 10.043 -0.862 0.887 1.00 0.00 C ATOM 560 O ASP A 35 9.987 0.081 1.677 1.00 0.00 O ATOM 561 CB ASP A 35 10.245 -3.334 1.253 1.00 0.00 C ATOM 562 CG ASP A 35 11.330 -3.117 2.289 1.00 0.00 C ATOM 563 OD1 ASP A 35 12.356 -2.487 1.961 1.00 0.00 O ATOM 564 OD2 ASP A 35 11.167 -3.589 3.436 1.00 0.00 O ATOM 0 H ASP A 35 8.460 -3.257 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 35 8.738 -2.043 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.688 -4.238 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.707 -3.501 0.280 1.00 0.00 H new ATOM 569 N ASP A 36 10.720 -0.819 -0.254 1.00 0.00 N ATOM 570 CA ASP A 36 11.693 0.233 -0.549 1.00 0.00 C ATOM 571 C ASP A 36 11.048 1.609 -0.707 1.00 0.00 C ATOM 572 O ASP A 36 11.651 2.623 -0.352 1.00 0.00 O ATOM 573 CB ASP A 36 12.472 -0.130 -1.814 1.00 0.00 C ATOM 574 CG ASP A 36 13.584 0.852 -2.128 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.531 0.969 -1.321 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.545 1.466 -3.209 1.00 0.00 O ATOM 0 H ASP A 36 10.613 -1.507 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 36 12.369 0.298 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.897 -1.127 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.784 -0.173 -2.658 1.00 0.00 H new ATOM 581 N ASP A 37 9.830 1.653 -1.226 1.00 0.00 N ATOM 582 CA ASP A 37 9.160 2.930 -1.467 1.00 0.00 C ATOM 583 C ASP A 37 8.148 3.262 -0.379 1.00 0.00 C ATOM 584 O ASP A 37 8.177 4.347 0.200 1.00 0.00 O ATOM 585 CB ASP A 37 8.456 2.929 -2.826 1.00 0.00 C ATOM 586 CG ASP A 37 9.391 3.236 -3.978 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.851 4.390 -4.082 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.654 2.337 -4.802 1.00 0.00 O ATOM 0 H ASP A 37 9.287 0.830 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 37 9.937 3.695 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.995 1.955 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.651 3.664 -2.813 1.00 0.00 H new ATOM 593 N ILE A 38 7.266 2.320 -0.089 1.00 0.00 N ATOM 594 CA ILE A 38 6.117 2.582 0.762 1.00 0.00 C ATOM 595 C ILE A 38 6.470 2.548 2.248 1.00 0.00 C ATOM 596 O ILE A 38 5.918 3.319 3.036 1.00 0.00 O ATOM 597 CB ILE A 38 4.986 1.574 0.468 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.728 1.529 -1.043 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.718 1.936 1.230 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.501 0.744 -1.443 1.00 0.00 C ATOM 0 H ILE A 38 7.325 1.361 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 38 5.777 3.591 0.530 1.00 0.00 H new ATOM 0 HB ILE A 38 5.294 0.585 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.628 2.549 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.598 1.095 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.938 1.209 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.922 1.928 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.385 2.930 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.394 0.764 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.604 -0.288 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.619 1.189 -0.983 1.00 0.00 H new ATOM 612 N LEU A 39 7.400 1.683 2.641 1.00 0.00 N ATOM 613 CA LEU A 39 7.727 1.545 4.060 1.00 0.00 C ATOM 614 C LEU A 39 8.416 2.795 4.639 1.00 0.00 C ATOM 615 O LEU A 39 8.091 3.199 5.754 1.00 0.00 O ATOM 616 CB LEU A 39 8.556 0.287 4.329 1.00 0.00 C ATOM 617 CG LEU A 39 7.814 -1.035 4.094 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.605 -2.200 4.664 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.419 -0.993 4.703 1.00 0.00 C ATOM 0 H LEU A 39 7.931 1.078 2.015 1.00 0.00 H new ATOM 0 HA LEU A 39 6.775 1.441 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.441 0.309 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.905 0.313 5.361 1.00 0.00 H new ATOM 0 HG LEU A 39 7.712 -1.177 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.063 -3.129 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.579 -2.251 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.741 -2.057 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.914 -1.942 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.496 -0.821 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.847 -0.185 4.247 1.00 0.00 H new ATOM 631 N PRO A 40 9.366 3.439 3.921 1.00 0.00 N ATOM 632 CA PRO A 40 9.960 4.705 4.379 1.00 0.00 C ATOM 633 C PRO A 40 8.932 5.834 4.491 1.00 0.00 C ATOM 634 O PRO A 40 9.204 6.874 5.092 1.00 0.00 O ATOM 635 CB PRO A 40 10.992 5.042 3.298 1.00 0.00 C ATOM 636 CG PRO A 40 11.268 3.751 2.617 1.00 0.00 C ATOM 637 CD PRO A 40 9.981 2.984 2.662 1.00 0.00 C ATOM 0 HA PRO A 40 10.385 4.602 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.604 5.783 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.899 5.460 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.592 3.912 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.066 3.206 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.349 3.205 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.153 1.908 2.663 1.00 0.00 H new ATOM 645 N ILE A 41 7.756 5.627 3.909 1.00 0.00 N ATOM 646 CA ILE A 41 6.702 6.631 3.941 1.00 0.00 C ATOM 647 C ILE A 41 5.704 6.346 5.069 1.00 0.00 C ATOM 648 O ILE A 41 5.486 7.188 5.939 1.00 0.00 O ATOM 649 CB ILE A 41 5.945 6.708 2.589 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.924 6.968 1.435 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.875 7.796 2.628 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.665 8.286 1.537 1.00 0.00 C ATOM 0 H ILE A 41 7.510 4.772 3.410 1.00 0.00 H new ATOM 0 HA ILE A 41 7.185 7.591 4.124 1.00 0.00 H new ATOM 0 HB ILE A 41 5.456 5.749 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.651 6.157 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.374 6.944 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.357 7.832 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.159 7.574 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.344 8.760 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.336 8.393 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.948 9.107 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.245 8.307 2.460 1.00 0.00 H new ATOM 664 N ILE A 42 5.106 5.153 5.063 1.00 0.00 N ATOM 665 CA ILE A 42 4.057 4.820 6.033 1.00 0.00 C ATOM 666 C ILE A 42 4.281 3.465 6.697 1.00 0.00 C ATOM 667 O ILE A 42 3.385 2.947 7.361 1.00 0.00 O ATOM 668 CB ILE A 42 2.665 4.779 5.372 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.657 3.755 4.238 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.271 6.153 4.859 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.275 3.274 3.880 1.00 0.00 C ATOM 0 H ILE A 42 5.326 4.406 4.404 1.00 0.00 H new ATOM 0 HA ILE A 42 4.104 5.609 6.784 1.00 0.00 H new ATOM 0 HB ILE A 42 1.931 4.479 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.121 4.196 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.269 2.900 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.285 6.100 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.244 6.858 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.000 6.489 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.341 2.549 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.817 2.804 4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.666 4.120 3.562 1.00 0.00 H new ATOM 683 N GLY A 43 5.471 2.903 6.537 1.00 0.00 N ATOM 684 CA GLY A 43 5.733 1.555 7.021 1.00 0.00 C ATOM 685 C GLY A 43 5.426 1.371 8.495 1.00 0.00 C ATOM 686 O GLY A 43 4.716 0.439 8.875 1.00 0.00 O ATOM 0 H GLY A 43 6.263 3.354 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.138 0.848 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.780 1.311 6.843 1.00 0.00 H new ATOM 690 N GLY A 44 5.940 2.268 9.320 1.00 0.00 N ATOM 691 CA GLY A 44 5.752 2.150 10.750 1.00 0.00 C ATOM 692 C GLY A 44 4.527 2.893 11.251 1.00 0.00 C ATOM 693 O GLY A 44 4.427 3.194 12.440 1.00 0.00 O ATOM 0 H GLY A 44 6.485 3.078 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.664 1.096 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.636 2.533 11.260 1.00 0.00 H new ATOM 697 N LEU A 45 3.593 3.201 10.359 1.00 0.00 N ATOM 698 CA LEU A 45 2.380 3.896 10.759 1.00 0.00 C ATOM 699 C LEU A 45 1.220 2.920 10.885 1.00 0.00 C ATOM 700 O LEU A 45 1.115 1.972 10.105 1.00 0.00 O ATOM 701 CB LEU A 45 2.038 4.995 9.750 1.00 0.00 C ATOM 702 CG LEU A 45 3.047 6.142 9.669 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.707 7.070 8.517 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.082 6.917 10.978 1.00 0.00 C ATOM 0 H LEU A 45 3.652 2.982 9.364 1.00 0.00 H new ATOM 0 HA LEU A 45 2.554 4.355 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.946 4.543 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.062 5.408 10.004 1.00 0.00 H new ATOM 0 HG LEU A 45 4.035 5.716 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.435 7.880 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.730 6.512 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.711 7.486 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.805 7.729 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.094 7.330 11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.372 6.249 11.789 1.00 0.00 H new ATOM 716 N GLU A 46 0.375 3.139 11.889 1.00 0.00 N ATOM 717 CA GLU A 46 -0.844 2.358 12.053 1.00 0.00 C ATOM 718 C GLU A 46 -1.692 2.463 10.803 1.00 0.00 C ATOM 719 O GLU A 46 -1.974 3.563 10.337 1.00 0.00 O ATOM 720 CB GLU A 46 -1.651 2.851 13.254 1.00 0.00 C ATOM 721 CG GLU A 46 -0.995 2.570 14.593 1.00 0.00 C ATOM 722 CD GLU A 46 -1.772 3.159 15.750 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.892 2.684 16.029 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.269 4.110 16.384 1.00 0.00 O ATOM 0 H GLU A 46 0.515 3.854 12.603 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.563 1.319 12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.810 3.925 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.634 2.381 13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.904 1.493 14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.016 2.978 14.592 1.00 0.00 H new ATOM 731 N ILE A 47 -2.106 1.320 10.283 1.00 0.00 N ATOM 732 CA ILE A 47 -2.812 1.251 9.009 1.00 0.00 C ATOM 733 C ILE A 47 -4.064 2.142 8.986 1.00 0.00 C ATOM 734 O ILE A 47 -4.404 2.712 7.953 1.00 0.00 O ATOM 735 CB ILE A 47 -3.189 -0.210 8.676 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.673 -0.320 7.232 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.253 -0.728 9.637 1.00 0.00 C ATOM 738 CD1 ILE A 47 -3.858 -1.746 6.767 1.00 0.00 C ATOM 0 H ILE A 47 -1.964 0.414 10.729 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.131 1.629 8.246 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.298 -0.827 8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.619 0.212 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.957 0.177 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.502 -1.758 9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.872 -0.688 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.147 -0.109 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.203 -1.750 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.908 -2.277 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.596 -2.241 7.398 1.00 0.00 H new ATOM 750 N GLN A 48 -4.730 2.285 10.126 1.00 0.00 N ATOM 751 CA GLN A 48 -5.936 3.100 10.197 1.00 0.00 C ATOM 752 C GLN A 48 -5.593 4.557 10.522 1.00 0.00 C ATOM 753 O GLN A 48 -6.416 5.455 10.353 1.00 0.00 O ATOM 754 CB GLN A 48 -6.909 2.529 11.239 1.00 0.00 C ATOM 755 CG GLN A 48 -8.155 3.378 11.435 1.00 0.00 C ATOM 756 CD GLN A 48 -9.165 2.756 12.373 1.00 0.00 C ATOM 757 OE1 GLN A 48 -9.298 1.535 12.450 1.00 0.00 O ATOM 758 NE2 GLN A 48 -9.885 3.598 13.095 1.00 0.00 N ATOM 0 H GLN A 48 -4.458 1.850 11.008 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.421 3.077 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.207 1.526 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.391 2.432 12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.863 4.354 11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.626 3.548 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.742 4.603 12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.584 3.242 13.747 1.00 0.00 H new ATOM 767 N ASP A 49 -4.364 4.793 10.956 1.00 0.00 N ATOM 768 CA ASP A 49 -3.963 6.123 11.404 1.00 0.00 C ATOM 769 C ASP A 49 -3.111 6.815 10.341 1.00 0.00 C ATOM 770 O ASP A 49 -2.583 7.908 10.555 1.00 0.00 O ATOM 771 CB ASP A 49 -3.196 6.026 12.725 1.00 0.00 C ATOM 772 CG ASP A 49 -3.209 7.326 13.505 1.00 0.00 C ATOM 773 OD1 ASP A 49 -4.288 7.706 14.001 1.00 0.00 O ATOM 774 OD2 ASP A 49 -2.142 7.954 13.657 1.00 0.00 O ATOM 0 H ASP A 49 -3.629 4.087 11.008 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.861 6.720 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.632 5.236 13.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.164 5.739 12.521 1.00 0.00 H new ATOM 779 N ILE A 50 -2.985 6.164 9.194 1.00 0.00 N ATOM 780 CA ILE A 50 -2.240 6.711 8.070 1.00 0.00 C ATOM 781 C ILE A 50 -3.023 7.842 7.414 1.00 0.00 C ATOM 782 O ILE A 50 -4.233 7.736 7.208 1.00 0.00 O ATOM 783 CB ILE A 50 -1.927 5.612 7.028 1.00 0.00 C ATOM 784 CG1 ILE A 50 -0.986 4.574 7.641 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.309 6.211 5.770 1.00 0.00 C ATOM 786 CD1 ILE A 50 -0.788 3.343 6.789 1.00 0.00 C ATOM 0 H ILE A 50 -3.394 5.247 9.017 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.297 7.105 8.450 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.861 5.127 6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.016 5.039 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.379 4.272 8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.099 5.416 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.004 6.924 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.381 6.722 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.108 2.657 7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.748 2.852 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.365 3.631 5.827 1.00 0.00 H new ATOM 798 N GLU A 51 -2.334 8.933 7.112 1.00 0.00 N ATOM 799 CA GLU A 51 -2.970 10.079 6.485 1.00 0.00 C ATOM 800 C GLU A 51 -3.221 9.819 5.008 1.00 0.00 C ATOM 801 O GLU A 51 -2.424 9.155 4.342 1.00 0.00 O ATOM 802 CB GLU A 51 -2.104 11.329 6.618 1.00 0.00 C ATOM 803 CG GLU A 51 -1.871 11.790 8.044 1.00 0.00 C ATOM 804 CD GLU A 51 -1.258 13.173 8.086 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.012 14.162 7.970 1.00 0.00 O ATOM 806 OE2 GLU A 51 -0.020 13.280 8.218 1.00 0.00 O ATOM 0 H GLU A 51 -1.336 9.047 7.291 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.919 10.238 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.138 11.137 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.572 12.140 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.817 11.793 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.215 11.084 8.553 1.00 0.00 H new ATOM 813 N PRO A 52 -4.327 10.351 4.468 1.00 0.00 N ATOM 814 CA PRO A 52 -4.593 10.309 3.029 1.00 0.00 C ATOM 815 C PRO A 52 -3.463 10.971 2.247 1.00 0.00 C ATOM 816 O PRO A 52 -3.096 10.528 1.159 1.00 0.00 O ATOM 817 CB PRO A 52 -5.892 11.106 2.875 1.00 0.00 C ATOM 818 CG PRO A 52 -6.534 11.063 4.222 1.00 0.00 C ATOM 819 CD PRO A 52 -5.409 11.015 5.216 1.00 0.00 C ATOM 0 HA PRO A 52 -4.670 9.291 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.691 12.132 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.538 10.665 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.160 11.940 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.178 10.189 4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.118 12.013 5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.684 10.454 6.109 1.00 0.00 H new ATOM 827 N MET A 53 -2.896 12.023 2.834 1.00 0.00 N ATOM 828 CA MET A 53 -1.771 12.731 2.238 1.00 0.00 C ATOM 829 C MET A 53 -0.525 11.846 2.218 1.00 0.00 C ATOM 830 O MET A 53 0.290 11.931 1.305 1.00 0.00 O ATOM 831 CB MET A 53 -1.491 14.019 3.020 1.00 0.00 C ATOM 832 CG MET A 53 -0.353 14.852 2.451 1.00 0.00 C ATOM 833 SD MET A 53 -0.019 16.334 3.424 1.00 0.00 S ATOM 834 CE MET A 53 -1.583 17.197 3.292 1.00 0.00 C ATOM 0 H MET A 53 -3.202 12.404 3.729 1.00 0.00 H new ATOM 0 HA MET A 53 -2.027 12.986 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.397 14.625 3.039 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.258 13.761 4.053 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.549 14.242 2.404 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.596 15.141 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.440 18.249 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.961 17.111 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.301 16.757 3.984 1.00 0.00 H new ATOM 844 N GLN A 54 -0.397 10.987 3.222 1.00 0.00 N ATOM 845 CA GLN A 54 0.743 10.083 3.317 1.00 0.00 C ATOM 846 C GLN A 54 0.622 8.954 2.309 1.00 0.00 C ATOM 847 O GLN A 54 1.606 8.553 1.693 1.00 0.00 O ATOM 848 CB GLN A 54 0.861 9.515 4.728 1.00 0.00 C ATOM 849 CG GLN A 54 1.373 10.523 5.735 1.00 0.00 C ATOM 850 CD GLN A 54 1.293 10.023 7.163 1.00 0.00 C ATOM 851 OE1 GLN A 54 0.426 9.217 7.506 1.00 0.00 O ATOM 852 NE2 GLN A 54 2.180 10.513 8.011 1.00 0.00 N ATOM 0 H GLN A 54 -1.070 10.897 3.983 1.00 0.00 H new ATOM 0 HA GLN A 54 1.644 10.653 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.115 9.153 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.530 8.655 4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.408 10.771 5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.797 11.444 5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.882 11.178 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.163 10.226 8.990 1.00 0.00 H new ATOM 861 N LEU A 55 -0.587 8.447 2.136 1.00 0.00 N ATOM 862 CA LEU A 55 -0.824 7.399 1.159 1.00 0.00 C ATOM 863 C LEU A 55 -0.656 7.967 -0.250 1.00 0.00 C ATOM 864 O LEU A 55 -0.185 7.284 -1.158 1.00 0.00 O ATOM 865 CB LEU A 55 -2.221 6.800 1.344 1.00 0.00 C ATOM 866 CG LEU A 55 -2.442 5.453 0.658 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.409 4.441 1.131 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.843 4.941 0.939 1.00 0.00 C ATOM 0 H LEU A 55 -1.414 8.742 2.655 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.097 6.600 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.411 6.683 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.957 7.509 0.965 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.329 5.590 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.580 3.487 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.409 4.802 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.497 4.308 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.986 3.981 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.977 4.818 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.574 5.656 0.562 1.00 0.00 H new ATOM 880 N LEU A 56 -1.022 9.236 -0.412 1.00 0.00 N ATOM 881 CA LEU A 56 -0.799 9.947 -1.665 1.00 0.00 C ATOM 882 C LEU A 56 0.699 10.173 -1.864 1.00 0.00 C ATOM 883 O LEU A 56 1.202 10.099 -2.980 1.00 0.00 O ATOM 884 CB LEU A 56 -1.583 11.273 -1.662 1.00 0.00 C ATOM 885 CG LEU A 56 -1.543 12.116 -2.952 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.359 13.068 -2.941 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.498 11.230 -4.189 1.00 0.00 C ATOM 0 H LEU A 56 -1.476 9.793 0.312 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.163 9.351 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.626 11.049 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.205 11.887 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.460 12.704 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.353 13.652 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.440 13.740 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.566 12.497 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.470 11.854 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.606 10.604 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.385 10.597 -4.216 1.00 0.00 H new ATOM 899 N GLU A 57 1.407 10.430 -0.769 1.00 0.00 N ATOM 900 CA GLU A 57 2.860 10.561 -0.804 1.00 0.00 C ATOM 901 C GLU A 57 3.484 9.255 -1.291 1.00 0.00 C ATOM 902 O GLU A 57 4.454 9.259 -2.040 1.00 0.00 O ATOM 903 CB GLU A 57 3.395 10.914 0.587 1.00 0.00 C ATOM 904 CG GLU A 57 4.872 11.271 0.610 1.00 0.00 C ATOM 905 CD GLU A 57 5.160 12.612 -0.034 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.381 12.662 -1.258 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.183 13.628 0.694 1.00 0.00 O ATOM 0 H GLU A 57 0.997 10.552 0.157 1.00 0.00 H new ATOM 0 HA GLU A 57 3.127 11.363 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.823 11.753 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.226 10.070 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.222 11.286 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.437 10.495 0.093 1.00 0.00 H new ATOM 914 N VAL A 58 2.906 8.139 -0.858 1.00 0.00 N ATOM 915 CA VAL A 58 3.309 6.819 -1.330 1.00 0.00 C ATOM 916 C VAL A 58 3.107 6.703 -2.842 1.00 0.00 C ATOM 917 O VAL A 58 4.037 6.386 -3.596 1.00 0.00 O ATOM 918 CB VAL A 58 2.501 5.715 -0.614 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.718 4.366 -1.279 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.875 5.650 0.861 1.00 0.00 C ATOM 0 H VAL A 58 2.149 8.124 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 58 4.367 6.689 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 58 1.443 5.965 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.138 3.605 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.396 4.417 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.776 4.107 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.296 4.866 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.938 5.429 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.660 6.608 1.334 1.00 0.00 H new ATOM 930 N ILE A 59 1.887 6.985 -3.280 1.00 0.00 N ATOM 931 CA ILE A 59 1.555 6.940 -4.697 1.00 0.00 C ATOM 932 C ILE A 59 2.462 7.881 -5.493 1.00 0.00 C ATOM 933 O ILE A 59 2.930 7.536 -6.577 1.00 0.00 O ATOM 934 CB ILE A 59 0.059 7.287 -4.944 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.810 6.022 -4.928 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.136 8.025 -6.262 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.796 5.266 -3.617 1.00 0.00 C ATOM 0 H ILE A 59 1.110 7.248 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 59 1.721 5.920 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.253 7.944 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.838 6.300 -5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.472 5.355 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.193 8.250 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.434 8.954 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.212 7.399 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.437 4.388 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.223 4.953 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.164 5.912 -2.820 1.00 0.00 H new ATOM 949 N ARG A 60 2.739 9.053 -4.933 1.00 0.00 N ATOM 950 CA ARG A 60 3.582 10.029 -5.605 1.00 0.00 C ATOM 951 C ARG A 60 5.057 9.657 -5.524 1.00 0.00 C ATOM 952 O ARG A 60 5.861 10.109 -6.341 1.00 0.00 O ATOM 953 CB ARG A 60 3.342 11.436 -5.064 1.00 0.00 C ATOM 954 CG ARG A 60 2.342 12.217 -5.902 1.00 0.00 C ATOM 955 CD ARG A 60 2.212 13.658 -5.441 1.00 0.00 C ATOM 956 NE ARG A 60 3.506 14.252 -5.114 1.00 0.00 N ATOM 957 CZ ARG A 60 4.404 14.675 -6.010 1.00 0.00 C ATOM 958 NH1 ARG A 60 4.193 14.533 -7.318 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.536 15.217 -5.587 1.00 0.00 N ATOM 0 H ARG A 60 2.393 9.348 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 60 3.302 10.021 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.980 11.371 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.288 11.977 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.652 12.198 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.368 11.731 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.732 14.246 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.563 13.701 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 60 3.743 14.352 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.334 14.095 -7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.890 14.862 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.715 15.308 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.228 15.543 -6.261 1.00 0.00 H new ATOM 973 N ARG A 61 5.405 8.822 -4.553 1.00 0.00 N ATOM 974 CA ARG A 61 6.750 8.270 -4.458 1.00 0.00 C ATOM 975 C ARG A 61 7.039 7.452 -5.714 1.00 0.00 C ATOM 976 O ARG A 61 8.159 7.438 -6.224 1.00 0.00 O ATOM 977 CB ARG A 61 6.869 7.404 -3.196 1.00 0.00 C ATOM 978 CG ARG A 61 8.266 6.874 -2.903 1.00 0.00 C ATOM 979 CD ARG A 61 9.286 7.995 -2.779 1.00 0.00 C ATOM 980 NE ARG A 61 10.299 7.712 -1.758 1.00 0.00 N ATOM 981 CZ ARG A 61 11.387 6.959 -1.953 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.570 6.313 -3.095 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.279 6.828 -0.983 1.00 0.00 N ATOM 0 H ARG A 61 4.771 8.511 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 61 7.482 9.074 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.533 7.989 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.189 6.557 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.248 6.296 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.570 6.194 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.775 8.147 -3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.773 8.925 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 61 10.164 8.119 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.876 6.386 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.405 5.742 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.135 7.301 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.110 6.254 -1.128 1.00 0.00 H new ATOM 997 N PHE A 62 6.004 6.782 -6.212 1.00 0.00 N ATOM 998 CA PHE A 62 6.094 6.078 -7.491 1.00 0.00 C ATOM 999 C PHE A 62 5.885 7.033 -8.671 1.00 0.00 C ATOM 1000 O PHE A 62 6.556 6.916 -9.702 1.00 0.00 O ATOM 1001 CB PHE A 62 5.063 4.951 -7.559 1.00 0.00 C ATOM 1002 CG PHE A 62 5.332 3.826 -6.603 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.225 2.823 -6.937 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.693 3.769 -5.376 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.476 1.783 -6.067 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.940 2.729 -4.501 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.832 1.734 -4.847 1.00 0.00 C ATOM 0 H PHE A 62 5.096 6.711 -5.753 1.00 0.00 H new ATOM 0 HA PHE A 62 7.097 5.656 -7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.075 5.362 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.038 4.555 -8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.731 2.855 -7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.995 4.545 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.176 1.007 -6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.435 2.694 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.026 0.919 -4.165 1.00 0.00 H new ATOM 1017 N GLU A 63 4.954 7.971 -8.508 1.00 0.00 N ATOM 1018 CA GLU A 63 4.595 8.925 -9.563 1.00 0.00 C ATOM 1019 C GLU A 63 5.804 9.707 -10.060 1.00 0.00 C ATOM 1020 O GLU A 63 5.983 9.888 -11.265 1.00 0.00 O ATOM 1021 CB GLU A 63 3.553 9.915 -9.041 1.00 0.00 C ATOM 1022 CG GLU A 63 3.068 10.914 -10.077 1.00 0.00 C ATOM 1023 CD GLU A 63 2.244 12.025 -9.460 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.029 11.829 -9.269 1.00 0.00 O ATOM 1025 OE2 GLU A 63 2.812 13.095 -9.158 1.00 0.00 O ATOM 0 H GLU A 63 4.426 8.094 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 63 4.191 8.347 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.697 9.357 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.977 10.460 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.926 11.344 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.471 10.396 -10.828 1.00 0.00 H new ATOM 1032 N ASP A 64 6.628 10.163 -9.123 1.00 0.00 N ATOM 1033 CA ASP A 64 7.759 11.033 -9.441 1.00 0.00 C ATOM 1034 C ASP A 64 8.728 10.364 -10.415 1.00 0.00 C ATOM 1035 O ASP A 64 9.387 11.036 -11.213 1.00 0.00 O ATOM 1036 CB ASP A 64 8.490 11.434 -8.158 1.00 0.00 C ATOM 1037 CG ASP A 64 9.478 12.564 -8.379 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.031 13.717 -8.578 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.701 12.308 -8.356 1.00 0.00 O ATOM 0 H ASP A 64 6.535 9.944 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 64 7.367 11.927 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.760 11.736 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.018 10.568 -7.759 1.00 0.00 H new ATOM 1044 N ARG A 65 8.798 9.037 -10.369 1.00 0.00 N ATOM 1045 CA ARG A 65 9.696 8.295 -11.248 1.00 0.00 C ATOM 1046 C ARG A 65 8.997 7.892 -12.544 1.00 0.00 C ATOM 1047 O ARG A 65 9.585 7.227 -13.395 1.00 0.00 O ATOM 1048 CB ARG A 65 10.238 7.047 -10.549 1.00 0.00 C ATOM 1049 CG ARG A 65 11.029 7.350 -9.289 1.00 0.00 C ATOM 1050 CD ARG A 65 11.791 6.129 -8.805 1.00 0.00 C ATOM 1051 NE ARG A 65 10.922 4.971 -8.599 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.525 4.542 -7.404 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.863 5.207 -6.312 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.792 3.441 -7.300 1.00 0.00 N ATOM 0 H ARG A 65 8.247 8.456 -9.737 1.00 0.00 H new ATOM 0 HA ARG A 65 10.528 8.956 -11.491 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.404 6.392 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.874 6.499 -11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.728 8.163 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.352 7.692 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.563 5.875 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.299 6.369 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 65 10.601 4.461 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.430 6.052 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.557 4.875 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.531 2.921 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.489 3.115 -6.382 1.00 0.00 H new ATOM 1068 N GLY A 66 7.742 8.295 -12.685 1.00 0.00 N ATOM 1069 CA GLY A 66 6.993 7.984 -13.889 1.00 0.00 C ATOM 1070 C GLY A 66 6.407 6.588 -13.860 1.00 0.00 C ATOM 1071 O GLY A 66 5.885 6.103 -14.866 1.00 0.00 O ATOM 0 H GLY A 66 7.227 8.832 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.189 8.710 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.646 8.083 -14.756 1.00 0.00 H new ATOM 1075 N ALA A 67 6.478 5.942 -12.703 1.00 0.00 N ATOM 1076 CA ALA A 67 5.962 4.590 -12.553 1.00 0.00 C ATOM 1077 C ALA A 67 4.458 4.617 -12.310 1.00 0.00 C ATOM 1078 O ALA A 67 3.991 4.364 -11.198 1.00 0.00 O ATOM 1079 CB ALA A 67 6.680 3.864 -11.425 1.00 0.00 C ATOM 0 H ALA A 67 6.888 6.334 -11.855 1.00 0.00 H new ATOM 0 HA ALA A 67 6.148 4.045 -13.478 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.280 2.855 -11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.746 3.812 -11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.529 4.404 -10.490 1.00 0.00 H new ATOM 1085 N MET A 68 3.709 4.949 -13.356 1.00 0.00 N ATOM 1086 CA MET A 68 2.255 5.040 -13.271 1.00 0.00 C ATOM 1087 C MET A 68 1.648 3.705 -12.872 1.00 0.00 C ATOM 1088 O MET A 68 0.730 3.654 -12.053 1.00 0.00 O ATOM 1089 CB MET A 68 1.661 5.500 -14.605 1.00 0.00 C ATOM 1090 CG MET A 68 1.970 6.946 -14.967 1.00 0.00 C ATOM 1091 SD MET A 68 1.010 8.151 -14.015 1.00 0.00 S ATOM 1092 CE MET A 68 1.804 8.080 -12.408 1.00 0.00 C ATOM 0 H MET A 68 4.088 5.161 -14.279 1.00 0.00 H new ATOM 0 HA MET A 68 2.015 5.776 -12.504 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.035 4.852 -15.398 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.579 5.370 -14.571 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.032 7.133 -14.808 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.775 7.096 -16.029 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.769 9.064 -11.941 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.283 7.360 -11.776 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.843 7.772 -12.529 1.00 0.00 H new ATOM 1102 N GLU A 69 2.177 2.629 -13.444 1.00 0.00 N ATOM 1103 CA GLU A 69 1.687 1.291 -13.153 1.00 0.00 C ATOM 1104 C GLU A 69 1.787 0.999 -11.662 1.00 0.00 C ATOM 1105 O GLU A 69 0.820 0.578 -11.034 1.00 0.00 O ATOM 1106 CB GLU A 69 2.489 0.242 -13.921 1.00 0.00 C ATOM 1107 CG GLU A 69 1.965 -1.170 -13.718 1.00 0.00 C ATOM 1108 CD GLU A 69 3.028 -2.226 -13.906 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.227 -2.687 -15.046 1.00 0.00 O ATOM 1110 OE2 GLU A 69 3.659 -2.620 -12.901 1.00 0.00 O ATOM 0 H GLU A 69 2.947 2.660 -14.113 1.00 0.00 H new ATOM 0 HA GLU A 69 0.643 1.244 -13.464 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.468 0.482 -14.984 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.531 0.286 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.548 -1.256 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.150 -1.354 -14.418 1.00 0.00 H new ATOM 1117 N ARG A 70 2.960 1.252 -11.101 1.00 0.00 N ATOM 1118 CA ARG A 70 3.224 0.921 -9.710 1.00 0.00 C ATOM 1119 C ARG A 70 2.491 1.869 -8.773 1.00 0.00 C ATOM 1120 O ARG A 70 2.165 1.503 -7.649 1.00 0.00 O ATOM 1121 CB ARG A 70 4.728 0.923 -9.420 1.00 0.00 C ATOM 1122 CG ARG A 70 5.463 -0.271 -10.018 1.00 0.00 C ATOM 1123 CD ARG A 70 5.656 -0.134 -11.519 1.00 0.00 C ATOM 1124 NE ARG A 70 5.935 -1.419 -12.156 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.157 -1.892 -12.391 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.226 -1.193 -12.024 1.00 0.00 N ATOM 1127 NH2 ARG A 70 7.306 -3.060 -13.005 1.00 0.00 N ATOM 0 H ARG A 70 3.744 1.686 -11.588 1.00 0.00 H new ATOM 0 HA ARG A 70 2.848 -0.086 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.164 1.842 -9.812 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.882 0.932 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.435 -0.375 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.904 -1.182 -9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.760 0.303 -11.961 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.477 0.555 -11.717 1.00 0.00 H new ATOM 0 HE ARG A 70 5.140 -1.992 -12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.111 -0.291 -11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.161 -1.558 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.485 -3.592 -13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.241 -3.425 -13.187 1.00 0.00 H new ATOM 1141 N ALA A 71 2.219 3.077 -9.243 1.00 0.00 N ATOM 1142 CA ALA A 71 1.430 4.030 -8.473 1.00 0.00 C ATOM 1143 C ALA A 71 -0.011 3.542 -8.346 1.00 0.00 C ATOM 1144 O ALA A 71 -0.620 3.629 -7.280 1.00 0.00 O ATOM 1145 CB ALA A 71 1.473 5.407 -9.119 1.00 0.00 C ATOM 0 H ALA A 71 2.531 3.421 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 71 1.860 4.109 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.878 6.104 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.505 5.757 -9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.067 5.348 -10.129 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.546 3.010 -9.441 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.902 2.470 -9.443 1.00 0.00 C ATOM 1153 C ASN A 72 -1.947 1.126 -8.729 1.00 0.00 C ATOM 1154 O ASN A 72 -2.913 0.823 -8.027 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.443 2.327 -10.869 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.857 3.656 -11.476 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.990 4.106 -11.299 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -1.953 4.287 -12.209 1.00 0.00 N ATOM 0 H ASN A 72 -0.063 2.941 -10.337 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.538 3.175 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.681 1.867 -11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.300 1.653 -10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.185 5.177 -12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.025 3.883 -12.333 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.902 0.322 -8.910 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.786 -0.947 -8.202 1.00 0.00 C ATOM 1167 C LYS A 73 -0.743 -0.717 -6.699 1.00 0.00 C ATOM 1168 O LYS A 73 -1.414 -1.417 -5.940 1.00 0.00 O ATOM 1169 CB LYS A 73 0.456 -1.719 -8.647 1.00 0.00 C ATOM 1170 CG LYS A 73 0.270 -2.481 -9.948 1.00 0.00 C ATOM 1171 CD LYS A 73 1.518 -3.270 -10.306 1.00 0.00 C ATOM 1172 CE LYS A 73 1.278 -4.181 -11.499 1.00 0.00 C ATOM 1173 NZ LYS A 73 2.530 -4.850 -11.944 1.00 0.00 N ATOM 0 H LYS A 73 -0.126 0.527 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.665 -1.544 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.285 -1.021 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.737 -2.421 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.579 -3.159 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.035 -1.783 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.333 -2.582 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.831 -3.866 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.536 -4.935 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.864 -3.600 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.370 -5.311 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.286 -4.143 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.810 -5.564 -11.242 1.00 0.00 H new ATOM 1187 N ALA A 74 0.044 0.267 -6.276 1.00 0.00 N ATOM 1188 CA ALA A 74 0.110 0.636 -4.870 1.00 0.00 C ATOM 1189 C ALA A 74 -1.263 1.064 -4.375 1.00 0.00 C ATOM 1190 O ALA A 74 -1.703 0.642 -3.314 1.00 0.00 O ATOM 1191 CB ALA A 74 1.133 1.742 -4.641 1.00 0.00 C ATOM 0 H ALA A 74 0.643 0.821 -6.887 1.00 0.00 H new ATOM 0 HA ALA A 74 0.431 -0.237 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.161 1.998 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.118 1.398 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.853 2.622 -5.220 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.943 1.887 -5.168 1.00 0.00 N ATOM 1198 CA ARG A 75 -3.293 2.336 -4.842 1.00 0.00 C ATOM 1199 C ARG A 75 -4.241 1.148 -4.644 1.00 0.00 C ATOM 1200 O ARG A 75 -4.945 1.066 -3.636 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.823 3.248 -5.949 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.182 3.850 -5.643 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.680 4.718 -6.788 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.934 5.389 -6.452 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.709 6.023 -7.331 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.367 6.091 -8.613 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.835 6.587 -6.919 1.00 0.00 N ATOM 0 H ARG A 75 -1.579 2.258 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.247 2.892 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.108 4.053 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.888 2.679 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.899 3.052 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.120 4.447 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.924 5.463 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.823 4.102 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.237 5.371 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.503 5.655 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.969 6.579 -9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.102 6.534 -5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.435 7.074 -7.585 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.246 0.230 -5.605 1.00 0.00 N ATOM 1222 CA ARG A 76 -5.095 -0.958 -5.527 1.00 0.00 C ATOM 1223 C ARG A 76 -4.739 -1.815 -4.318 1.00 0.00 C ATOM 1224 O ARG A 76 -5.612 -2.245 -3.566 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.954 -1.817 -6.784 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.646 -1.270 -8.020 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.546 -2.269 -9.162 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.339 -1.883 -10.329 1.00 0.00 N ATOM 1229 CZ ARG A 76 -7.303 -2.641 -10.849 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -7.697 -3.746 -10.226 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.900 -2.273 -11.974 1.00 0.00 N ATOM 0 H ARG A 76 -3.673 0.284 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.122 -0.605 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.894 -1.939 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.352 -2.810 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.693 -1.063 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.190 -0.324 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.502 -2.372 -9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.877 -3.247 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.143 -0.984 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.261 -4.018 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.436 -4.323 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.621 -1.410 -12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.638 -2.853 -12.373 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.448 -2.054 -4.141 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.978 -2.989 -3.133 1.00 0.00 C ATOM 1247 C ARG A 77 -3.080 -2.415 -1.725 1.00 0.00 C ATOM 1248 O ARG A 77 -3.400 -3.144 -0.788 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.541 -3.409 -3.429 1.00 0.00 C ATOM 1250 CG ARG A 77 -1.387 -4.896 -3.703 1.00 0.00 C ATOM 1251 CD ARG A 77 -2.206 -5.344 -4.905 1.00 0.00 C ATOM 1252 NE ARG A 77 -3.113 -6.440 -4.566 1.00 0.00 N ATOM 1253 CZ ARG A 77 -3.600 -7.314 -5.445 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -3.221 -7.280 -6.714 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -4.463 -8.235 -5.045 1.00 0.00 N ATOM 0 H ARG A 77 -2.707 -1.612 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.626 -3.865 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.178 -2.849 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.910 -3.136 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.335 -5.126 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.696 -5.460 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.782 -4.501 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.536 -5.661 -5.704 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.392 -6.542 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.549 -6.579 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.601 -7.955 -7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.752 -8.273 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.839 -8.907 -5.714 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.815 -1.122 -1.561 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.903 -0.516 -0.239 1.00 0.00 C ATOM 1271 C CYS A 78 -4.344 -0.552 0.251 1.00 0.00 C ATOM 1272 O CYS A 78 -4.602 -0.950 1.384 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.358 0.918 -0.222 1.00 0.00 C ATOM 1274 SG CYS A 78 -3.227 2.072 -1.306 1.00 0.00 S ATOM 0 H CYS A 78 -2.543 -0.486 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.278 -1.099 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.403 1.297 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.306 0.895 -0.507 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.812 1.413 -2.262 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.282 -0.169 -0.617 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.690 -0.258 -0.276 1.00 0.00 C ATOM 1282 C GLY A 79 -7.086 -1.669 0.110 1.00 0.00 C ATOM 1283 O GLY A 79 -7.910 -1.873 1.003 1.00 0.00 O ATOM 0 H GLY A 79 -5.089 0.200 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.908 0.420 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.291 0.069 -1.124 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.475 -2.642 -0.556 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.707 -4.045 -0.258 1.00 0.00 C ATOM 1289 C GLU A 80 -6.176 -4.396 1.133 1.00 0.00 C ATOM 1290 O GLU A 80 -6.863 -5.052 1.912 1.00 0.00 O ATOM 1291 CB GLU A 80 -6.046 -4.921 -1.326 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.279 -6.409 -1.136 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.781 -7.226 -2.308 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.533 -7.374 -3.293 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.637 -7.723 -2.258 1.00 0.00 O ATOM 0 H GLU A 80 -5.810 -2.480 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.781 -4.233 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.422 -4.627 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.973 -4.729 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.776 -6.739 -0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.344 -6.592 -0.996 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.964 -3.941 1.444 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.368 -4.171 2.761 1.00 0.00 C ATOM 1304 C VAL A 81 -5.197 -3.490 3.851 1.00 0.00 C ATOM 1305 O VAL A 81 -5.469 -4.080 4.901 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.907 -3.663 2.828 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.327 -3.861 4.221 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -2.042 -4.368 1.795 1.00 0.00 C ATOM 0 H VAL A 81 -4.374 -3.411 0.803 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.362 -5.248 2.927 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.914 -2.596 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.300 -3.496 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.924 -3.307 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.341 -4.921 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.020 -3.995 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.050 -5.441 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.436 -4.174 0.797 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.607 -2.254 3.588 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.466 -1.514 4.508 1.00 0.00 C ATOM 1320 C PHE A 82 -7.759 -2.280 4.764 1.00 0.00 C ATOM 1321 O PHE A 82 -8.167 -2.466 5.910 1.00 0.00 O ATOM 1322 CB PHE A 82 -6.784 -0.124 3.948 1.00 0.00 C ATOM 1323 CG PHE A 82 -5.696 0.899 4.156 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -4.393 0.652 3.756 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.987 2.114 4.747 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -3.402 1.598 3.941 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -5.001 3.064 4.937 1.00 0.00 C ATOM 1328 CZ PHE A 82 -3.708 2.805 4.533 1.00 0.00 C ATOM 0 H PHE A 82 -5.358 -1.741 2.742 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.933 -1.398 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.982 -0.213 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.701 0.240 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.148 -0.293 3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.998 2.324 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.391 1.392 3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.243 4.008 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.937 3.546 4.680 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.381 -2.739 3.690 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.616 -3.503 3.784 1.00 0.00 C ATOM 1340 C ARG A 83 -9.372 -4.844 4.475 1.00 0.00 C ATOM 1341 O ARG A 83 -10.215 -5.329 5.226 1.00 0.00 O ATOM 1342 CB ARG A 83 -10.193 -3.722 2.388 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.504 -4.485 2.375 1.00 0.00 C ATOM 1344 CD ARG A 83 -12.043 -4.615 0.964 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.301 -3.309 0.357 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.443 -3.111 -0.953 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -12.277 -4.119 -1.805 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -12.725 -1.901 -1.415 1.00 0.00 N ATOM 0 H ARG A 83 -8.049 -2.595 2.737 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.332 -2.940 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.344 -2.753 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.464 -4.263 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.356 -5.476 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.234 -3.972 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.329 -5.165 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.965 -5.197 0.979 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.377 -2.501 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.040 -5.048 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.387 -3.963 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.833 -1.120 -0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.833 -1.751 -2.418 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.206 -5.426 4.218 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.812 -6.688 4.833 1.00 0.00 C ATOM 1364 C TYR A 84 -7.797 -6.548 6.351 1.00 0.00 C ATOM 1365 O TYR A 84 -8.246 -7.436 7.077 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.426 -7.096 4.323 1.00 0.00 C ATOM 1367 CG TYR A 84 -6.054 -8.535 4.596 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.588 -9.561 3.828 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.153 -8.866 5.603 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -6.243 -10.877 4.059 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.800 -10.182 5.834 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.348 -11.183 5.059 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.992 -12.496 5.275 1.00 0.00 O ATOM 0 H TYR A 84 -7.510 -5.039 3.581 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.532 -7.461 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.383 -6.921 3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.679 -6.448 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.285 -9.325 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.724 -8.084 6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.674 -11.664 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.098 -10.426 6.618 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.351 -12.544 6.015 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.300 -5.407 6.817 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.254 -5.113 8.239 1.00 0.00 C ATOM 1385 C ALA A 85 -8.654 -4.850 8.785 1.00 0.00 C ATOM 1386 O ALA A 85 -8.918 -5.063 9.969 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.343 -3.925 8.504 1.00 0.00 C ATOM 0 H ALA A 85 -6.922 -4.668 6.224 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.849 -5.983 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.319 -3.717 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.336 -4.154 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.721 -3.051 7.973 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.546 -4.389 7.917 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.938 -4.174 8.293 1.00 0.00 C ATOM 1395 C ILE A 86 -11.650 -5.510 8.479 1.00 0.00 C ATOM 1396 O ILE A 86 -12.408 -5.692 9.430 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.692 -3.325 7.242 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.042 -1.942 7.114 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.165 -3.189 7.615 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.683 -1.058 6.067 1.00 0.00 C ATOM 0 H ILE A 86 -9.330 -4.157 6.947 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.939 -3.626 9.235 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.630 -3.832 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.090 -1.438 8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.987 -2.068 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.677 -2.588 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.621 -4.178 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.251 -2.703 8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.168 -0.098 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.612 -1.539 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.732 -0.899 6.318 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.373 -6.446 7.578 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.969 -7.778 7.641 1.00 0.00 C ATOM 1414 C VAL A 87 -11.574 -8.493 8.931 1.00 0.00 C ATOM 1415 O VAL A 87 -12.395 -9.162 9.557 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.555 -8.640 6.424 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.174 -10.030 6.501 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.957 -7.954 5.127 1.00 0.00 C ATOM 0 H VAL A 87 -10.737 -6.307 6.792 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.051 -7.647 7.623 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.471 -8.750 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.866 -10.614 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.839 -10.528 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.261 -9.944 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.659 -8.573 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.038 -7.812 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.463 -6.985 5.060 1.00 0.00 H new ATOM 1428 N THR A 88 -10.320 -8.335 9.336 1.00 0.00 N ATOM 1429 CA THR A 88 -9.832 -8.958 10.559 1.00 0.00 C ATOM 1430 C THR A 88 -10.165 -8.100 11.787 1.00 0.00 C ATOM 1431 O THR A 88 -9.918 -8.502 12.925 1.00 0.00 O ATOM 1432 CB THR A 88 -8.313 -9.232 10.486 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.856 -9.871 11.684 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.540 -7.945 10.269 1.00 0.00 C ATOM 0 H THR A 88 -9.624 -7.782 8.836 1.00 0.00 H new ATOM 0 HA THR A 88 -10.342 -9.916 10.661 1.00 0.00 H new ATOM 0 HB THR A 88 -8.136 -9.895 9.639 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.892 -10.038 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.473 -8.165 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.858 -7.483 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.733 -7.261 11.095 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.710 -6.913 11.546 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.255 -6.108 12.626 1.00 0.00 C ATOM 1444 C GLY A 89 -10.245 -5.221 13.338 1.00 0.00 C ATOM 1445 O GLY A 89 -10.534 -4.706 14.416 1.00 0.00 O ATOM 0 H GLY A 89 -10.785 -6.492 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.050 -5.479 12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.713 -6.772 13.359 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.070 -5.019 12.757 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.080 -4.141 13.384 1.00 0.00 C ATOM 1451 C ARG A 90 -8.000 -2.806 12.650 1.00 0.00 C ATOM 1452 O ARG A 90 -7.142 -1.969 12.928 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.707 -4.817 13.485 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.080 -5.210 12.158 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.816 -6.025 12.388 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.235 -6.531 11.145 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.135 -7.829 10.849 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -4.642 -8.738 11.673 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.550 -8.216 9.721 1.00 0.00 N ATOM 0 H ARG A 90 -8.779 -5.438 11.874 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.408 -3.941 14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.026 -4.144 14.005 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.804 -5.711 14.101 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.792 -5.789 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.844 -4.316 11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.080 -5.408 12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.045 -6.864 13.045 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.887 -5.854 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.108 -8.445 12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.566 -9.730 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.175 -7.520 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.476 -9.209 9.499 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.914 -2.629 11.712 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.129 -1.355 11.050 1.00 0.00 C ATOM 1475 C ALA A 91 -10.609 -1.225 10.738 1.00 0.00 C ATOM 1476 O ALA A 91 -11.273 -2.231 10.497 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.300 -1.251 9.779 1.00 0.00 C ATOM 0 H ALA A 91 -9.533 -3.372 11.386 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.813 -0.544 11.706 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.481 -0.287 9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.242 -1.341 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.582 -2.051 9.094 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.143 -0.017 10.776 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.563 0.171 10.501 1.00 0.00 C ATOM 1485 C LYS A 92 -12.790 1.233 9.428 1.00 0.00 C ATOM 1486 O LYS A 92 -13.915 1.432 8.968 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.312 0.536 11.785 1.00 0.00 C ATOM 1488 CG LYS A 92 -14.822 0.405 11.662 1.00 0.00 C ATOM 1489 CD LYS A 92 -15.528 0.724 12.967 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.025 0.502 12.845 1.00 0.00 C ATOM 1491 NZ LYS A 92 -17.750 0.826 14.100 1.00 0.00 N ATOM 0 H LYS A 92 -10.628 0.837 10.990 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.956 -0.772 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.964 -0.106 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.065 1.561 12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.182 1.076 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.074 -0.609 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.128 0.097 13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.332 1.759 13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.416 1.117 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.215 -0.537 12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.768 0.658 13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.398 0.222 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.593 1.825 14.344 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.727 1.906 9.021 1.00 0.00 N ATOM 1506 CA TYR A 93 -11.842 2.943 8.009 1.00 0.00 C ATOM 1507 C TYR A 93 -10.622 2.951 7.106 1.00 0.00 C ATOM 1508 O TYR A 93 -9.487 2.998 7.579 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.022 4.320 8.657 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.254 5.437 7.657 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.473 5.565 7.003 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.256 6.365 7.372 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.693 6.585 6.094 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.470 7.386 6.463 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.689 7.492 5.828 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.912 8.512 4.927 1.00 0.00 O ATOM 0 H TYR A 93 -10.781 1.755 9.372 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.723 2.724 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.865 4.280 9.347 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.137 4.552 9.249 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.262 4.857 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.300 6.287 7.868 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.647 6.670 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.685 8.097 6.252 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.426 8.327 4.096 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.867 2.887 5.811 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.813 3.009 4.825 1.00 0.00 C ATOM 1528 C ASN A 94 -10.016 4.285 4.019 1.00 0.00 C ATOM 1529 O ASN A 94 -11.041 4.453 3.360 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.771 1.780 3.898 1.00 0.00 C ATOM 1531 CG ASN A 94 -11.100 1.470 3.215 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -12.176 1.702 3.767 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -11.035 0.930 2.006 1.00 0.00 N ATOM 0 H ASN A 94 -11.797 2.750 5.416 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.855 3.060 5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.011 1.940 3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.461 0.911 4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.892 0.694 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.128 0.750 1.576 1.00 0.00 H new ATOM 1540 N PRO A 95 -9.053 5.218 4.087 1.00 0.00 N ATOM 1541 CA PRO A 95 -9.116 6.494 3.356 1.00 0.00 C ATOM 1542 C PRO A 95 -8.932 6.312 1.849 1.00 0.00 C ATOM 1543 O PRO A 95 -8.228 7.082 1.197 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.953 7.295 3.948 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.992 6.269 4.432 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.827 5.110 4.900 1.00 0.00 C ATOM 0 HA PRO A 95 -10.086 6.980 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.497 7.942 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.289 7.937 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.312 5.964 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.378 6.661 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.320 4.159 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.045 5.177 5.966 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.593 5.305 1.299 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.509 5.006 -0.120 1.00 0.00 C ATOM 1556 C ALA A 96 -10.163 6.108 -0.966 1.00 0.00 C ATOM 1557 O ALA A 96 -9.557 6.579 -1.930 1.00 0.00 O ATOM 1558 CB ALA A 96 -10.122 3.641 -0.412 1.00 0.00 C ATOM 0 H ALA A 96 -10.200 4.675 1.823 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.456 4.973 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -10.052 3.431 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.584 2.874 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.169 3.641 -0.111 1.00 0.00 H new ATOM 1564 N PRO A 97 -11.406 6.545 -0.639 1.00 0.00 N ATOM 1565 CA PRO A 97 -12.028 7.680 -1.330 1.00 0.00 C ATOM 1566 C PRO A 97 -11.244 8.967 -1.097 1.00 0.00 C ATOM 1567 O PRO A 97 -11.155 9.825 -1.979 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.427 7.776 -0.708 1.00 0.00 C ATOM 1569 CG PRO A 97 -13.326 7.054 0.591 1.00 0.00 C ATOM 1570 CD PRO A 97 -12.304 5.974 0.387 1.00 0.00 C ATOM 0 HA PRO A 97 -12.055 7.540 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.722 8.815 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.178 7.321 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.024 7.730 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.289 6.631 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.769 5.747 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.763 5.045 0.048 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.664 9.080 0.094 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.840 10.225 0.458 1.00 0.00 C ATOM 1580 C ASP A 98 -8.616 10.301 -0.441 1.00 0.00 C ATOM 1581 O ASP A 98 -8.267 11.366 -0.942 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.394 10.123 1.920 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.557 10.073 2.886 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.158 8.990 3.044 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.875 11.116 3.492 1.00 0.00 O ATOM 0 H ASP A 98 -10.752 8.381 0.832 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.437 11.128 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.783 9.229 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.762 10.978 2.163 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.979 9.153 -0.644 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.818 9.046 -1.520 1.00 0.00 C ATOM 1592 C LEU A 99 -7.168 9.536 -2.922 1.00 0.00 C ATOM 1593 O LEU A 99 -6.378 10.225 -3.570 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.332 7.581 -1.548 1.00 0.00 C ATOM 1595 CG LEU A 99 -5.011 7.297 -2.285 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.218 7.211 -3.790 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.977 8.359 -1.958 1.00 0.00 C ATOM 0 H LEU A 99 -8.252 8.273 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.013 9.674 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.226 7.240 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.113 6.974 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.645 6.330 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.264 7.010 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.918 6.406 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.620 8.155 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.050 8.140 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.349 9.336 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.788 8.364 -0.885 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.369 9.194 -3.372 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.834 9.585 -4.694 1.00 0.00 C ATOM 1611 C ALA A 100 -8.966 11.102 -4.805 1.00 0.00 C ATOM 1612 O ALA A 100 -8.539 11.705 -5.791 1.00 0.00 O ATOM 1613 CB ALA A 100 -10.163 8.917 -4.999 1.00 0.00 C ATOM 0 H ALA A 100 -9.041 8.644 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.095 9.257 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.502 9.217 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.041 7.834 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.901 9.220 -4.257 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.549 11.718 -3.784 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.727 13.165 -3.769 1.00 0.00 C ATOM 1621 C ASP A 101 -8.399 13.872 -3.526 1.00 0.00 C ATOM 1622 O ASP A 101 -8.174 14.974 -4.024 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.748 13.590 -2.710 1.00 0.00 C ATOM 1624 CG ASP A 101 -12.170 13.228 -3.093 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.688 13.784 -4.085 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.793 12.401 -2.390 1.00 0.00 O ATOM 0 H ASP A 101 -9.906 11.239 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.107 13.457 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.500 13.116 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.680 14.667 -2.556 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.522 13.233 -2.764 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.193 13.771 -2.505 1.00 0.00 C ATOM 1633 C ALA A 102 -5.377 13.831 -3.790 1.00 0.00 C ATOM 1634 O ALA A 102 -4.805 14.864 -4.123 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.470 12.935 -1.460 1.00 0.00 C ATOM 0 H ALA A 102 -7.708 12.337 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.307 14.784 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.480 13.353 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.040 12.941 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.372 11.910 -1.818 1.00 0.00 H new ATOM 1641 N MET A 103 -5.341 12.716 -4.509 1.00 0.00 N ATOM 1642 CA MET A 103 -4.638 12.635 -5.789 1.00 0.00 C ATOM 1643 C MET A 103 -5.182 13.670 -6.770 1.00 0.00 C ATOM 1644 O MET A 103 -4.444 14.236 -7.577 1.00 0.00 O ATOM 1645 CB MET A 103 -4.799 11.231 -6.378 1.00 0.00 C ATOM 1646 CG MET A 103 -4.089 11.025 -7.708 1.00 0.00 C ATOM 1647 SD MET A 103 -4.478 9.428 -8.454 1.00 0.00 S ATOM 1648 CE MET A 103 -3.908 8.319 -7.169 1.00 0.00 C ATOM 0 H MET A 103 -5.794 11.847 -4.226 1.00 0.00 H new ATOM 0 HA MET A 103 -3.581 12.841 -5.618 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.420 10.503 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.861 11.025 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.371 11.823 -8.395 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.012 11.100 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.292 7.536 -7.611 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.319 8.877 -6.441 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.766 7.867 -6.671 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.481 13.911 -6.689 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.148 14.873 -7.553 1.00 0.00 C ATOM 1660 C LYS A 104 -6.818 16.306 -7.142 1.00 0.00 C ATOM 1661 O LYS A 104 -6.419 17.126 -7.969 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.660 14.642 -7.501 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.470 15.628 -8.323 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.956 15.347 -8.196 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.782 16.339 -8.997 1.00 0.00 C ATOM 1666 NZ LYS A 104 -13.237 16.058 -8.892 1.00 0.00 N ATOM 0 H LYS A 104 -7.101 13.447 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.792 14.729 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.874 13.632 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.989 14.695 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.258 16.644 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.172 15.566 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.166 14.335 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.247 15.393 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.581 17.350 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.479 16.302 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.767 16.756 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.433 15.103 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.531 16.118 -7.896 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.971 16.590 -5.859 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.809 17.944 -5.363 1.00 0.00 C ATOM 1682 C GLY A 105 -5.362 18.386 -5.272 1.00 0.00 C ATOM 1683 O GLY A 105 -5.063 19.571 -5.419 1.00 0.00 O ATOM 0 H GLY A 105 -7.207 15.901 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.349 18.629 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.266 18.018 -4.376 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.460 17.443 -5.034 1.00 0.00 N ATOM 1688 CA TYR A 106 -3.048 17.771 -4.881 1.00 0.00 C ATOM 1689 C TYR A 106 -2.455 18.214 -6.215 1.00 0.00 C ATOM 1690 O TYR A 106 -1.566 19.062 -6.262 1.00 0.00 O ATOM 1691 CB TYR A 106 -2.275 16.569 -4.333 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.941 16.934 -3.721 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.864 17.366 -2.403 1.00 0.00 C ATOM 1694 CD2 TYR A 106 0.235 16.853 -4.456 1.00 0.00 C ATOM 1695 CE1 TYR A 106 0.347 17.707 -1.833 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.452 17.192 -3.891 1.00 0.00 C ATOM 1697 CZ TYR A 106 1.501 17.620 -2.580 1.00 0.00 C ATOM 1698 OH TYR A 106 2.706 17.961 -2.011 1.00 0.00 O ATOM 0 H TYR A 106 -4.678 16.451 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.962 18.594 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.885 16.068 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.112 15.854 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.766 17.436 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.199 16.521 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.389 18.040 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.359 17.122 -4.473 1.00 0.00 H new ATOM 0 HH TYR A 106 2.959 18.864 -2.296 1.00 0.00 H new ATOM 1708 N ARG A 107 -2.976 17.658 -7.304 1.00 0.00 N ATOM 1709 CA ARG A 107 -2.489 17.991 -8.639 1.00 0.00 C ATOM 1710 C ARG A 107 -3.104 19.295 -9.142 1.00 0.00 C ATOM 1711 O ARG A 107 -3.003 19.627 -10.323 1.00 0.00 O ATOM 1712 CB ARG A 107 -2.786 16.856 -9.621 1.00 0.00 C ATOM 1713 CG ARG A 107 -1.978 15.596 -9.358 1.00 0.00 C ATOM 1714 CD ARG A 107 -2.263 14.541 -10.409 1.00 0.00 C ATOM 1715 NE ARG A 107 -1.498 13.312 -10.200 1.00 0.00 N ATOM 1716 CZ ARG A 107 -1.899 12.118 -10.625 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -3.079 11.986 -11.211 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -1.132 11.055 -10.441 1.00 0.00 N ATOM 0 H ARG A 107 -3.734 16.976 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.409 18.126 -8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.848 16.613 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.584 17.202 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.915 15.835 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.219 15.205 -8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.327 14.307 -10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.031 14.945 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.610 13.374 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.680 12.800 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.387 11.070 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.231 11.151 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.442 10.140 -10.768 1.00 0.00 H new ATOM 1732 N LYS A 108 -3.742 20.031 -8.243 1.00 0.00 N ATOM 1733 CA LYS A 108 -4.255 21.355 -8.568 1.00 0.00 C ATOM 1734 C LYS A 108 -3.162 22.396 -8.314 1.00 0.00 C ATOM 1735 O LYS A 108 -3.317 23.582 -8.612 1.00 0.00 O ATOM 1736 CB LYS A 108 -5.524 21.649 -7.753 1.00 0.00 C ATOM 1737 CG LYS A 108 -6.197 22.973 -8.093 1.00 0.00 C ATOM 1738 CD LYS A 108 -7.659 23.006 -7.655 1.00 0.00 C ATOM 1739 CE LYS A 108 -7.838 22.595 -6.201 1.00 0.00 C ATOM 1740 NZ LYS A 108 -8.559 21.299 -6.074 1.00 0.00 N ATOM 0 H LYS A 108 -3.917 19.734 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.530 21.398 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.238 20.841 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.269 21.646 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.657 23.788 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.138 23.143 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.055 24.011 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.242 22.341 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.861 22.515 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.390 23.371 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.586 21.013 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.530 21.406 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.065 20.571 -6.629 1.00 0.00 H new ATOM 1754 N LYS A 109 -2.049 21.931 -7.759 1.00 0.00 N ATOM 1755 CA LYS A 109 -0.868 22.761 -7.591 1.00 0.00 C ATOM 1756 C LYS A 109 0.127 22.477 -8.710 1.00 0.00 C ATOM 1757 O LYS A 109 0.092 21.407 -9.324 1.00 0.00 O ATOM 1758 CB LYS A 109 -0.205 22.500 -6.234 1.00 0.00 C ATOM 1759 CG LYS A 109 -1.057 22.899 -5.040 1.00 0.00 C ATOM 1760 CD LYS A 109 -0.299 22.733 -3.732 1.00 0.00 C ATOM 1761 CE LYS A 109 -1.114 23.223 -2.546 1.00 0.00 C ATOM 1762 NZ LYS A 109 -2.294 22.360 -2.281 1.00 0.00 N ATOM 0 H LYS A 109 -1.942 20.976 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.175 23.806 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.035 21.440 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.738 23.045 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.374 23.936 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.961 22.290 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.044 21.683 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.639 23.285 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.481 23.252 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.447 24.244 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.781 22.692 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.946 22.406 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.982 21.378 -2.143 1.00 0.00 H new ATOM 1776 N ASN A 110 1.006 23.432 -8.977 1.00 0.00 N ATOM 1777 CA ASN A 110 2.025 23.265 -10.009 1.00 0.00 C ATOM 1778 C ASN A 110 3.384 23.048 -9.368 1.00 0.00 C ATOM 1779 O ASN A 110 4.391 22.853 -10.051 1.00 0.00 O ATOM 1780 CB ASN A 110 2.070 24.485 -10.935 1.00 0.00 C ATOM 1781 CG ASN A 110 0.839 24.606 -11.812 1.00 0.00 C ATOM 1782 OD1 ASN A 110 0.376 25.708 -12.100 1.00 0.00 O ATOM 1783 ND2 ASN A 110 0.312 23.478 -12.260 1.00 0.00 N ATOM 0 H ASN A 110 1.036 24.331 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 110 1.767 22.391 -10.607 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.171 25.388 -10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 110 2.956 24.422 -11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.507 23.504 -12.867 1.00 0.00 H new ATOM 0 HD22 ASN A 110 0.725 22.583 -11.999 1.00 0.00 H new ATOM 1790 N LEU A 111 3.403 23.084 -8.047 1.00 0.00 N ATOM 1791 CA LEU A 111 4.620 22.878 -7.292 1.00 0.00 C ATOM 1792 C LEU A 111 4.305 22.067 -6.042 1.00 0.00 C ATOM 1793 O LEU A 111 3.308 22.328 -5.367 1.00 0.00 O ATOM 1794 CB LEU A 111 5.243 24.232 -6.927 1.00 0.00 C ATOM 1795 CG LEU A 111 6.645 24.177 -6.317 1.00 0.00 C ATOM 1796 CD1 LEU A 111 7.611 23.471 -7.255 1.00 0.00 C ATOM 1797 CD2 LEU A 111 7.136 25.584 -6.011 1.00 0.00 C ATOM 0 H LEU A 111 2.578 23.256 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 111 5.341 22.325 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.282 24.847 -7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.581 24.738 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 111 6.597 23.610 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.602 23.443 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.265 22.453 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.659 24.010 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.135 25.535 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.169 26.166 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.457 26.061 -5.304 1.00 0.00 H new ATOM 1809 N GLU A 112 5.141 21.067 -5.767 1.00 0.00 N ATOM 1810 CA GLU A 112 4.942 20.166 -4.628 1.00 0.00 C ATOM 1811 C GLU A 112 4.779 20.943 -3.321 1.00 0.00 C ATOM 1812 O GLU A 112 3.947 20.601 -2.480 1.00 0.00 O ATOM 1813 CB GLU A 112 6.128 19.205 -4.507 1.00 0.00 C ATOM 1814 CG GLU A 112 5.920 18.095 -3.488 1.00 0.00 C ATOM 1815 CD GLU A 112 7.178 17.290 -3.235 1.00 0.00 C ATOM 1816 OE1 GLU A 112 7.734 16.728 -4.201 1.00 0.00 O ATOM 1817 OE2 GLU A 112 7.624 17.220 -2.071 1.00 0.00 O ATOM 0 H GLU A 112 5.971 20.858 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 112 4.027 19.602 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.322 18.758 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.017 19.773 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.576 18.529 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.132 17.429 -3.838 1.00 0.00 H new ATOM 1824 N HIS A 113 5.585 21.982 -3.154 1.00 0.00 N ATOM 1825 CA HIS A 113 5.522 22.818 -1.962 1.00 0.00 C ATOM 1826 C HIS A 113 5.239 24.254 -2.368 1.00 0.00 C ATOM 1827 O HIS A 113 5.212 24.566 -3.555 1.00 0.00 O ATOM 1828 CB HIS A 113 6.832 22.745 -1.168 1.00 0.00 C ATOM 1829 CG HIS A 113 7.178 21.366 -0.699 1.00 0.00 C ATOM 1830 ND1 HIS A 113 6.789 20.862 0.518 1.00 0.00 N ATOM 1831 CD2 HIS A 113 7.873 20.378 -1.305 1.00 0.00 C ATOM 1832 CE1 HIS A 113 7.228 19.624 0.639 1.00 0.00 C ATOM 1833 NE2 HIS A 113 7.887 19.301 -0.456 1.00 0.00 N ATOM 0 H HIS A 113 6.293 22.267 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 113 4.719 22.452 -1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 113 7.644 23.122 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 113 6.759 23.405 -0.304 1.00 0.00 H new ATOM 0 HD2 HIS A 113 8.334 20.428 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.073 18.982 1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 113 8.332 18.402 -0.641 1.00 0.00 H new ATOM 1842 N HIS A 114 5.043 25.127 -1.394 1.00 0.00 N ATOM 1843 CA HIS A 114 4.759 26.525 -1.689 1.00 0.00 C ATOM 1844 C HIS A 114 6.050 27.269 -1.996 1.00 0.00 C ATOM 1845 O HIS A 114 6.116 28.046 -2.941 1.00 0.00 O ATOM 1846 CB HIS A 114 4.046 27.212 -0.521 1.00 0.00 C ATOM 1847 CG HIS A 114 2.693 26.652 -0.199 1.00 0.00 C ATOM 1848 ND1 HIS A 114 1.828 26.160 -1.151 1.00 0.00 N ATOM 1849 CD2 HIS A 114 2.056 26.518 0.986 1.00 0.00 C ATOM 1850 CE1 HIS A 114 0.720 25.751 -0.566 1.00 0.00 C ATOM 1851 NE2 HIS A 114 0.828 25.957 0.733 1.00 0.00 N ATOM 0 H HIS A 114 5.074 24.898 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 114 4.101 26.550 -2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 114 4.676 27.138 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 114 3.941 28.272 -0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 114 2.442 26.800 1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.134 25.319 -1.066 1.00 0.00 H new ATOM 0 HE2 HIS A 114 0.119 25.737 1.432 1.00 0.00 H new ATOM 1860 N HIS A 115 7.068 27.021 -1.172 1.00 0.00 N ATOM 1861 CA HIS A 115 8.379 27.666 -1.308 1.00 0.00 C ATOM 1862 C HIS A 115 8.298 29.169 -1.053 1.00 0.00 C ATOM 1863 O HIS A 115 9.206 29.919 -1.402 1.00 0.00 O ATOM 1864 CB HIS A 115 9.004 27.385 -2.680 1.00 0.00 C ATOM 1865 CG HIS A 115 9.588 26.011 -2.798 1.00 0.00 C ATOM 1866 ND1 HIS A 115 10.902 25.731 -2.502 1.00 0.00 N ATOM 1867 CD2 HIS A 115 9.033 24.835 -3.175 1.00 0.00 C ATOM 1868 CE1 HIS A 115 11.133 24.446 -2.690 1.00 0.00 C ATOM 1869 NE2 HIS A 115 10.013 23.876 -3.100 1.00 0.00 N ATOM 0 H HIS A 115 7.010 26.368 -0.391 1.00 0.00 H new ATOM 0 HA HIS A 115 9.026 27.232 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 115 8.244 27.516 -3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.784 28.121 -2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.008 24.680 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.077 23.945 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 115 9.896 22.888 -3.324 1.00 0.00 H new ATOM 1878 N HIS A 116 7.207 29.595 -0.434 1.00 0.00 N ATOM 1879 CA HIS A 116 7.063 30.972 0.023 1.00 0.00 C ATOM 1880 C HIS A 116 7.039 30.974 1.541 1.00 0.00 C ATOM 1881 O HIS A 116 6.141 30.396 2.153 1.00 0.00 O ATOM 1882 CB HIS A 116 5.783 31.618 -0.526 1.00 0.00 C ATOM 1883 CG HIS A 116 5.809 31.861 -2.005 1.00 0.00 C ATOM 1884 ND1 HIS A 116 6.059 33.094 -2.564 1.00 0.00 N ATOM 1885 CD2 HIS A 116 5.609 31.018 -3.044 1.00 0.00 C ATOM 1886 CE1 HIS A 116 6.013 32.997 -3.879 1.00 0.00 C ATOM 1887 NE2 HIS A 116 5.742 31.746 -4.197 1.00 0.00 N ATOM 0 H HIS A 116 6.401 29.002 -0.235 1.00 0.00 H new ATOM 0 HA HIS A 116 7.905 31.558 -0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.934 30.977 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 116 5.619 32.567 -0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.385 29.964 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.171 33.806 -4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 116 5.647 31.381 -5.145 1.00 0.00 H new ATOM 1896 N HIS A 117 8.031 31.597 2.149 1.00 0.00 N ATOM 1897 CA HIS A 117 8.189 31.527 3.593 1.00 0.00 C ATOM 1898 C HIS A 117 8.082 32.899 4.242 1.00 0.00 C ATOM 1899 O HIS A 117 9.060 33.647 4.314 1.00 0.00 O ATOM 1900 CB HIS A 117 9.525 30.869 3.951 1.00 0.00 C ATOM 1901 CG HIS A 117 9.609 29.433 3.528 1.00 0.00 C ATOM 1902 ND1 HIS A 117 10.267 29.022 2.390 1.00 0.00 N ATOM 1903 CD2 HIS A 117 9.103 28.312 4.091 1.00 0.00 C ATOM 1904 CE1 HIS A 117 10.161 27.714 2.271 1.00 0.00 C ATOM 1905 NE2 HIS A 117 9.460 27.258 3.291 1.00 0.00 N ATOM 0 H HIS A 117 8.738 32.155 1.670 1.00 0.00 H new ATOM 0 HA HIS A 117 7.375 30.916 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.335 31.427 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.677 30.933 5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.525 28.258 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.577 27.117 1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.222 26.280 3.457 1.00 0.00 H new ATOM 1914 N HIS A 118 6.883 33.218 4.708 1.00 0.00 N ATOM 1915 CA HIS A 118 6.631 34.450 5.435 1.00 0.00 C ATOM 1916 C HIS A 118 5.243 34.398 6.061 1.00 0.00 C ATOM 1917 O HIS A 118 4.274 34.819 5.397 1.00 0.00 O ATOM 1918 CB HIS A 118 6.761 35.673 4.517 1.00 0.00 C ATOM 1919 CG HIS A 118 6.552 36.977 5.224 1.00 0.00 C ATOM 1920 ND1 HIS A 118 7.320 37.386 6.293 1.00 0.00 N ATOM 1921 CD2 HIS A 118 5.647 37.961 5.016 1.00 0.00 C ATOM 1922 CE1 HIS A 118 6.894 38.562 6.712 1.00 0.00 C ATOM 1923 NE2 HIS A 118 5.882 38.934 5.953 1.00 0.00 N ATOM 1924 OXT HIS A 118 5.125 33.923 7.206 1.00 0.00 O ATOM 0 H HIS A 118 6.059 32.629 4.592 1.00 0.00 H new ATOM 0 HA HIS A 118 7.378 34.548 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 118 7.751 35.671 4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 118 6.036 35.588 3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 118 4.882 37.977 4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 118 7.305 39.125 7.537 1.00 0.00 H new ATOM 0 HE2 HIS A 118 5.359 39.804 6.048 1.00 0.00 H new TER 1933 HIS A 118