USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 631 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 Single : A 1 GLY N :NH3+ -119:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.208 USER MOD Single : A 6 SER OG : rot -45:sc= 0.64 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -137:sc= 0.0732 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.815 F(o=-1.6,f=-0.81) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.991) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.0341 (180deg=-0.291) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0327 (180deg=-0.246) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-5.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.937 K(o=0.94,f=-0.58) USER MOD Single : A 45 ASN : amide:sc= -2.44 K(o=-2.4,f=-4.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0513 (180deg=-0.368) USER MOD Single : A 55 GLN : amide:sc= -4.83! C(o=-4.8!,f=-5.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -83:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -149:sc= -4.59! (180deg=-5.43!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0586 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.350 -2.548 -7.532 1.00 0.00 N ATOM 2 CA GLY A 1 13.158 -3.520 -8.592 1.00 0.00 C ATOM 3 C GLY A 1 12.175 -3.046 -9.644 1.00 0.00 C ATOM 4 O GLY A 1 11.753 -1.889 -9.632 1.00 0.00 O ATOM 0 H1 GLY A 1 14.347 -2.254 -7.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.749 -1.718 -7.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.092 -2.974 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.117 -3.731 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.802 -4.456 -8.162 1.00 0.00 H new ATOM 8 N SER A 2 11.809 -3.940 -10.557 1.00 0.00 N ATOM 9 CA SER A 2 10.874 -3.605 -11.624 1.00 0.00 C ATOM 10 C SER A 2 9.460 -4.054 -11.268 1.00 0.00 C ATOM 11 O SER A 2 9.266 -5.110 -10.664 1.00 0.00 O ATOM 12 CB SER A 2 11.312 -4.254 -12.938 1.00 0.00 C ATOM 13 OG SER A 2 12.579 -3.771 -13.348 1.00 0.00 O ATOM 0 H SER A 2 12.146 -4.902 -10.579 1.00 0.00 H new ATOM 0 HA SER A 2 10.873 -2.522 -11.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.354 -5.336 -12.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.573 -4.049 -13.713 1.00 0.00 H new ATOM 0 HG SER A 2 12.837 -4.202 -14.189 1.00 0.00 H new ATOM 19 N SER A 3 8.476 -3.245 -11.646 1.00 0.00 N ATOM 20 CA SER A 3 7.079 -3.557 -11.364 1.00 0.00 C ATOM 21 C SER A 3 6.328 -3.894 -12.648 1.00 0.00 C ATOM 22 O SER A 3 5.171 -4.312 -12.613 1.00 0.00 O ATOM 23 CB SER A 3 6.404 -2.378 -10.659 1.00 0.00 C ATOM 24 OG SER A 3 6.491 -1.199 -11.440 1.00 0.00 O ATOM 0 H SER A 3 8.620 -2.369 -12.148 1.00 0.00 H new ATOM 0 HA SER A 3 7.051 -4.428 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.357 -2.615 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.875 -2.212 -9.690 1.00 0.00 H new ATOM 0 HG SER A 3 6.051 -0.461 -10.969 1.00 0.00 H new ATOM 30 N GLY A 4 6.995 -3.708 -13.783 1.00 0.00 N ATOM 31 CA GLY A 4 6.376 -3.997 -15.064 1.00 0.00 C ATOM 32 C GLY A 4 5.004 -3.367 -15.199 1.00 0.00 C ATOM 33 O GLY A 4 4.061 -4.010 -15.662 1.00 0.00 O ATOM 0 H GLY A 4 7.953 -3.362 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.020 -3.634 -15.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.291 -5.077 -15.188 1.00 0.00 H new ATOM 37 N SER A 5 4.890 -2.107 -14.794 1.00 0.00 N ATOM 38 CA SER A 5 3.622 -1.391 -14.867 1.00 0.00 C ATOM 39 C SER A 5 3.673 -0.303 -15.936 1.00 0.00 C ATOM 40 O SER A 5 4.749 0.154 -16.321 1.00 0.00 O ATOM 41 CB SER A 5 3.281 -0.773 -13.510 1.00 0.00 C ATOM 42 OG SER A 5 2.749 -1.745 -12.626 1.00 0.00 O ATOM 0 H SER A 5 5.661 -1.560 -14.411 1.00 0.00 H new ATOM 0 HA SER A 5 2.845 -2.106 -15.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.176 -0.331 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.560 0.034 -13.645 1.00 0.00 H new ATOM 0 HG SER A 5 3.019 -2.639 -12.922 1.00 0.00 H new ATOM 48 N SER A 6 2.501 0.106 -16.411 1.00 0.00 N ATOM 49 CA SER A 6 2.410 1.138 -17.437 1.00 0.00 C ATOM 50 C SER A 6 1.582 2.321 -16.947 1.00 0.00 C ATOM 51 O SER A 6 0.796 2.897 -17.699 1.00 0.00 O ATOM 52 CB SER A 6 1.794 0.563 -18.714 1.00 0.00 C ATOM 53 OG SER A 6 1.813 1.516 -19.763 1.00 0.00 O ATOM 0 H SER A 6 1.601 -0.262 -16.102 1.00 0.00 H new ATOM 0 HA SER A 6 3.419 1.489 -17.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.344 -0.328 -19.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.767 0.253 -18.519 1.00 0.00 H new ATOM 0 HG SER A 6 1.520 2.386 -19.420 1.00 0.00 H new ATOM 59 N GLY A 7 1.763 2.678 -15.679 1.00 0.00 N ATOM 60 CA GLY A 7 1.026 3.791 -15.109 1.00 0.00 C ATOM 61 C GLY A 7 0.248 3.396 -13.870 1.00 0.00 C ATOM 62 O GLY A 7 0.433 3.978 -12.801 1.00 0.00 O ATOM 0 H GLY A 7 2.407 2.216 -15.036 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.721 4.593 -14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.338 4.188 -15.855 1.00 0.00 H new ATOM 66 N MET A 8 -0.627 2.405 -14.013 1.00 0.00 N ATOM 67 CA MET A 8 -1.436 1.934 -12.895 1.00 0.00 C ATOM 68 C MET A 8 -0.568 1.664 -11.670 1.00 0.00 C ATOM 69 O MET A 8 0.658 1.763 -11.732 1.00 0.00 O ATOM 70 CB MET A 8 -2.196 0.665 -13.286 1.00 0.00 C ATOM 71 CG MET A 8 -3.533 0.939 -13.954 1.00 0.00 C ATOM 72 SD MET A 8 -4.307 -0.556 -14.599 1.00 0.00 S ATOM 73 CE MET A 8 -5.594 0.146 -15.629 1.00 0.00 C ATOM 0 H MET A 8 -0.793 1.913 -14.891 1.00 0.00 H new ATOM 0 HA MET A 8 -2.153 2.716 -12.644 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.577 0.074 -13.960 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.362 0.061 -12.394 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.204 1.410 -13.235 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.389 1.649 -14.768 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.162 -0.657 -16.099 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.261 0.752 -15.016 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.143 0.770 -16.400 1.00 0.00 H new ATOM 83 N VAL A 9 -1.210 1.322 -10.558 1.00 0.00 N ATOM 84 CA VAL A 9 -0.496 1.036 -9.320 1.00 0.00 C ATOM 85 C VAL A 9 -0.940 -0.296 -8.724 1.00 0.00 C ATOM 86 O VAL A 9 -1.892 -0.353 -7.946 1.00 0.00 O ATOM 87 CB VAL A 9 -0.712 2.149 -8.277 1.00 0.00 C ATOM 88 CG1 VAL A 9 0.005 1.812 -6.979 1.00 0.00 C ATOM 89 CG2 VAL A 9 -0.242 3.489 -8.824 1.00 0.00 C ATOM 0 H VAL A 9 -2.224 1.236 -10.489 1.00 0.00 H new ATOM 0 HA VAL A 9 0.563 0.984 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.779 2.223 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.159 2.610 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.384 0.875 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.073 1.709 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.402 4.264 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.819 3.431 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.806 3.733 -9.724 1.00 0.00 H new ATOM 99 N ASP A 10 -0.242 -1.364 -9.094 1.00 0.00 N ATOM 100 CA ASP A 10 -0.563 -2.697 -8.595 1.00 0.00 C ATOM 101 C ASP A 10 0.164 -2.975 -7.283 1.00 0.00 C ATOM 102 O ASP A 10 1.352 -3.297 -7.276 1.00 0.00 O ATOM 103 CB ASP A 10 -0.190 -3.756 -9.634 1.00 0.00 C ATOM 104 CG ASP A 10 -1.026 -5.015 -9.502 1.00 0.00 C ATOM 105 OD1 ASP A 10 -0.666 -5.882 -8.678 1.00 0.00 O ATOM 106 OD2 ASP A 10 -2.039 -5.132 -10.222 1.00 0.00 O ATOM 0 H ASP A 10 0.549 -1.333 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.636 -2.742 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.318 -3.341 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.864 -4.010 -9.527 1.00 0.00 H new ATOM 111 N TYR A 11 -0.558 -2.847 -6.175 1.00 0.00 N ATOM 112 CA TYR A 11 0.019 -3.082 -4.857 1.00 0.00 C ATOM 113 C TYR A 11 1.064 -4.192 -4.909 1.00 0.00 C ATOM 114 O TYR A 11 2.249 -3.955 -4.673 1.00 0.00 O ATOM 115 CB TYR A 11 -1.078 -3.445 -3.855 1.00 0.00 C ATOM 116 CG TYR A 11 -2.230 -2.466 -3.836 1.00 0.00 C ATOM 117 CD1 TYR A 11 -2.016 -1.107 -4.029 1.00 0.00 C ATOM 118 CD2 TYR A 11 -3.533 -2.900 -3.626 1.00 0.00 C ATOM 119 CE1 TYR A 11 -3.065 -0.209 -4.011 1.00 0.00 C ATOM 120 CE2 TYR A 11 -4.589 -2.009 -3.608 1.00 0.00 C ATOM 121 CZ TYR A 11 -4.350 -0.665 -3.801 1.00 0.00 C ATOM 122 OH TYR A 11 -5.398 0.227 -3.784 1.00 0.00 O ATOM 0 H TYR A 11 -1.543 -2.582 -6.164 1.00 0.00 H new ATOM 0 HA TYR A 11 0.508 -2.163 -4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.460 -4.438 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.643 -3.500 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.012 -0.746 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.724 -3.952 -3.474 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.880 0.845 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.596 -2.363 -3.444 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.236 -0.256 -3.626 1.00 0.00 H new ATOM 132 N TYR A 12 0.616 -5.403 -5.219 1.00 0.00 N ATOM 133 CA TYR A 12 1.511 -6.551 -5.301 1.00 0.00 C ATOM 134 C TYR A 12 2.814 -6.178 -6.001 1.00 0.00 C ATOM 135 O TYR A 12 3.900 -6.524 -5.538 1.00 0.00 O ATOM 136 CB TYR A 12 0.831 -7.702 -6.044 1.00 0.00 C ATOM 137 CG TYR A 12 -0.404 -8.227 -5.348 1.00 0.00 C ATOM 138 CD1 TYR A 12 -0.301 -9.032 -4.220 1.00 0.00 C ATOM 139 CD2 TYR A 12 -1.675 -7.917 -5.818 1.00 0.00 C ATOM 140 CE1 TYR A 12 -1.427 -9.514 -3.582 1.00 0.00 C ATOM 141 CE2 TYR A 12 -2.806 -8.394 -5.185 1.00 0.00 C ATOM 142 CZ TYR A 12 -2.677 -9.192 -4.068 1.00 0.00 C ATOM 143 OH TYR A 12 -3.802 -9.669 -3.433 1.00 0.00 O ATOM 0 H TYR A 12 -0.362 -5.615 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 12 1.745 -6.870 -4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.559 -7.367 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.544 -8.517 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.676 -9.285 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.780 -7.293 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.329 -10.140 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.786 -8.143 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.450 -9.976 -4.101 1.00 0.00 H new ATOM 153 N GLU A 13 2.695 -5.469 -7.119 1.00 0.00 N ATOM 154 CA GLU A 13 3.863 -5.048 -7.884 1.00 0.00 C ATOM 155 C GLU A 13 4.542 -3.850 -7.226 1.00 0.00 C ATOM 156 O GLU A 13 5.723 -3.589 -7.452 1.00 0.00 O ATOM 157 CB GLU A 13 3.462 -4.697 -9.318 1.00 0.00 C ATOM 158 CG GLU A 13 2.718 -5.812 -10.033 1.00 0.00 C ATOM 159 CD GLU A 13 2.678 -5.617 -11.536 1.00 0.00 C ATOM 160 OE1 GLU A 13 2.421 -4.478 -11.979 1.00 0.00 O ATOM 161 OE2 GLU A 13 2.905 -6.602 -12.269 1.00 0.00 O ATOM 0 H GLU A 13 1.802 -5.174 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 13 4.570 -5.878 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.835 -3.805 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.358 -4.447 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.195 -6.765 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.699 -5.867 -9.650 1.00 0.00 H new ATOM 168 N VAL A 14 3.785 -3.123 -6.409 1.00 0.00 N ATOM 169 CA VAL A 14 4.312 -1.953 -5.717 1.00 0.00 C ATOM 170 C VAL A 14 5.139 -2.359 -4.503 1.00 0.00 C ATOM 171 O VAL A 14 6.088 -1.670 -4.127 1.00 0.00 O ATOM 172 CB VAL A 14 3.179 -1.013 -5.263 1.00 0.00 C ATOM 173 CG1 VAL A 14 3.749 0.306 -4.763 1.00 0.00 C ATOM 174 CG2 VAL A 14 2.192 -0.781 -6.397 1.00 0.00 C ATOM 0 H VAL A 14 2.805 -3.324 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 14 4.950 -1.425 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 14 2.645 -1.487 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.935 0.958 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.413 0.119 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.308 0.788 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.399 -0.115 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.709 -0.328 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.760 -1.733 -6.704 1.00 0.00 H new ATOM 184 N LEU A 15 4.774 -3.481 -3.894 1.00 0.00 N ATOM 185 CA LEU A 15 5.483 -3.980 -2.720 1.00 0.00 C ATOM 186 C LEU A 15 6.527 -5.019 -3.117 1.00 0.00 C ATOM 187 O LEU A 15 7.142 -5.654 -2.260 1.00 0.00 O ATOM 188 CB LEU A 15 4.495 -4.589 -1.724 1.00 0.00 C ATOM 189 CG LEU A 15 3.350 -3.680 -1.274 1.00 0.00 C ATOM 190 CD1 LEU A 15 2.470 -4.392 -0.259 1.00 0.00 C ATOM 191 CD2 LEU A 15 3.895 -2.383 -0.693 1.00 0.00 C ATOM 0 H LEU A 15 3.991 -4.063 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 15 5.993 -3.140 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.066 -5.486 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.049 -4.906 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 15 2.741 -3.437 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.661 -3.730 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.051 -5.292 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.067 -4.666 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.066 -1.749 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.527 -2.607 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.482 -1.863 -1.450 1.00 0.00 H new ATOM 203 N ASP A 16 6.724 -5.185 -4.420 1.00 0.00 N ATOM 204 CA ASP A 16 7.696 -6.144 -4.930 1.00 0.00 C ATOM 205 C ASP A 16 7.323 -7.566 -4.523 1.00 0.00 C ATOM 206 O ASP A 16 8.192 -8.391 -4.242 1.00 0.00 O ATOM 207 CB ASP A 16 9.097 -5.805 -4.418 1.00 0.00 C ATOM 208 CG ASP A 16 10.190 -6.342 -5.321 1.00 0.00 C ATOM 209 OD1 ASP A 16 10.019 -7.454 -5.861 1.00 0.00 O ATOM 210 OD2 ASP A 16 11.216 -5.650 -5.486 1.00 0.00 O ATOM 0 H ASP A 16 6.223 -4.668 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 16 7.691 -6.084 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.198 -4.723 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.223 -6.215 -3.416 1.00 0.00 H new ATOM 215 N VAL A 17 6.023 -7.846 -4.492 1.00 0.00 N ATOM 216 CA VAL A 17 5.534 -9.167 -4.118 1.00 0.00 C ATOM 217 C VAL A 17 4.510 -9.679 -5.125 1.00 0.00 C ATOM 218 O VAL A 17 3.805 -8.909 -5.777 1.00 0.00 O ATOM 219 CB VAL A 17 4.897 -9.155 -2.716 1.00 0.00 C ATOM 220 CG1 VAL A 17 5.911 -8.710 -1.673 1.00 0.00 C ATOM 221 CG2 VAL A 17 3.671 -8.255 -2.697 1.00 0.00 C ATOM 0 H VAL A 17 5.290 -7.175 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 17 6.397 -9.833 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 17 4.580 -10.169 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.443 -8.708 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.757 -9.398 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.261 -7.705 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.233 -8.258 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.962 -7.239 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.939 -8.623 -3.416 1.00 0.00 H new ATOM 231 N PRO A 18 4.425 -11.011 -5.257 1.00 0.00 N ATOM 232 CA PRO A 18 3.489 -11.657 -6.182 1.00 0.00 C ATOM 233 C PRO A 18 2.038 -11.509 -5.736 1.00 0.00 C ATOM 234 O PRO A 18 1.764 -11.146 -4.592 1.00 0.00 O ATOM 235 CB PRO A 18 3.912 -13.127 -6.146 1.00 0.00 C ATOM 236 CG PRO A 18 4.565 -13.301 -4.819 1.00 0.00 C ATOM 237 CD PRO A 18 5.234 -11.990 -4.512 1.00 0.00 C ATOM 0 HA PRO A 18 3.527 -11.213 -7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.053 -13.789 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.599 -13.361 -6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.832 -13.554 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.291 -14.113 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.234 -11.780 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.274 -11.983 -4.839 1.00 0.00 H new ATOM 245 N ARG A 19 1.112 -11.792 -6.647 1.00 0.00 N ATOM 246 CA ARG A 19 -0.311 -11.690 -6.347 1.00 0.00 C ATOM 247 C ARG A 19 -0.702 -12.656 -5.232 1.00 0.00 C ATOM 248 O ARG A 19 -1.623 -12.388 -4.461 1.00 0.00 O ATOM 249 CB ARG A 19 -1.140 -11.977 -7.600 1.00 0.00 C ATOM 250 CG ARG A 19 -0.441 -11.594 -8.894 1.00 0.00 C ATOM 251 CD ARG A 19 -1.411 -11.563 -10.064 1.00 0.00 C ATOM 252 NE ARG A 19 -1.733 -12.905 -10.543 1.00 0.00 N ATOM 253 CZ ARG A 19 -2.806 -13.186 -11.275 1.00 0.00 C ATOM 254 NH1 ARG A 19 -3.655 -12.224 -11.610 1.00 0.00 N ATOM 255 NH2 ARG A 19 -3.030 -14.431 -11.674 1.00 0.00 N ATOM 0 H ARG A 19 1.322 -12.094 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.514 -10.673 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.383 -13.039 -7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.084 -11.436 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.025 -10.615 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.358 -12.306 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.327 -11.056 -9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.979 -10.981 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.100 -13.668 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.485 -11.265 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.478 -12.443 -12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.379 -15.173 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.854 -14.646 -12.236 1.00 0.00 H new ATOM 269 N GLN A 20 0.003 -13.780 -5.156 1.00 0.00 N ATOM 270 CA GLN A 20 -0.273 -14.787 -4.137 1.00 0.00 C ATOM 271 C GLN A 20 0.632 -14.594 -2.924 1.00 0.00 C ATOM 272 O GLN A 20 0.592 -15.380 -1.978 1.00 0.00 O ATOM 273 CB GLN A 20 -0.082 -16.191 -4.712 1.00 0.00 C ATOM 274 CG GLN A 20 -0.982 -16.489 -5.901 1.00 0.00 C ATOM 275 CD GLN A 20 -0.342 -16.120 -7.225 1.00 0.00 C ATOM 276 OE1 GLN A 20 -1.031 -15.299 -8.008 1.00 0.00 O flip ATOM 277 NE2 GLN A 20 0.761 -16.569 -7.540 1.00 0.00 N flip ATOM 0 H GLN A 20 0.769 -14.017 -5.787 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.309 -14.671 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.958 -16.312 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.274 -16.925 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.232 -17.550 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.918 -15.942 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.256 -17.197 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.180 -16.312 -8.434 1.00 0.00 H new ATOM 286 N ALA A 21 1.446 -13.545 -2.960 1.00 0.00 N ATOM 287 CA ALA A 21 2.359 -13.249 -1.863 1.00 0.00 C ATOM 288 C ALA A 21 1.660 -13.385 -0.514 1.00 0.00 C ATOM 289 O ALA A 21 0.590 -12.817 -0.299 1.00 0.00 O ATOM 290 CB ALA A 21 2.937 -11.850 -2.020 1.00 0.00 C ATOM 0 H ALA A 21 1.492 -12.886 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 21 3.173 -13.973 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.617 -11.642 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.481 -11.785 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.128 -11.120 -2.016 1.00 0.00 H new ATOM 296 N SER A 22 2.271 -14.144 0.390 1.00 0.00 N ATOM 297 CA SER A 22 1.704 -14.359 1.716 1.00 0.00 C ATOM 298 C SER A 22 1.829 -13.102 2.571 1.00 0.00 C ATOM 299 O SER A 22 2.782 -12.336 2.431 1.00 0.00 O ATOM 300 CB SER A 22 2.403 -15.532 2.408 1.00 0.00 C ATOM 301 OG SER A 22 1.787 -16.763 2.070 1.00 0.00 O ATOM 0 H SER A 22 3.158 -14.620 0.228 1.00 0.00 H new ATOM 0 HA SER A 22 0.646 -14.593 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.454 -15.556 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.373 -15.391 3.488 1.00 0.00 H new ATOM 0 HG SER A 22 2.252 -17.497 2.523 1.00 0.00 H new ATOM 307 N SER A 23 0.859 -12.897 3.456 1.00 0.00 N ATOM 308 CA SER A 23 0.858 -11.731 4.332 1.00 0.00 C ATOM 309 C SER A 23 2.268 -11.418 4.823 1.00 0.00 C ATOM 310 O SER A 23 2.820 -10.361 4.522 1.00 0.00 O ATOM 311 CB SER A 23 -0.070 -11.965 5.526 1.00 0.00 C ATOM 312 OG SER A 23 -1.418 -11.687 5.187 1.00 0.00 O ATOM 0 H SER A 23 0.064 -13.523 3.586 1.00 0.00 H new ATOM 0 HA SER A 23 0.494 -10.878 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.018 -12.998 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.237 -11.332 6.359 1.00 0.00 H new ATOM 0 HG SER A 23 -1.991 -11.846 5.966 1.00 0.00 H new ATOM 318 N GLU A 24 2.844 -12.347 5.580 1.00 0.00 N ATOM 319 CA GLU A 24 4.189 -12.170 6.114 1.00 0.00 C ATOM 320 C GLU A 24 5.164 -11.770 5.010 1.00 0.00 C ATOM 321 O GLU A 24 6.125 -11.040 5.250 1.00 0.00 O ATOM 322 CB GLU A 24 4.667 -13.456 6.791 1.00 0.00 C ATOM 323 CG GLU A 24 5.859 -13.254 7.710 1.00 0.00 C ATOM 324 CD GLU A 24 6.713 -14.500 7.841 1.00 0.00 C ATOM 325 OE1 GLU A 24 7.384 -14.865 6.852 1.00 0.00 O ATOM 326 OE2 GLU A 24 6.711 -15.110 8.930 1.00 0.00 O ATOM 0 H GLU A 24 2.400 -13.229 5.837 1.00 0.00 H new ATOM 0 HA GLU A 24 4.156 -11.370 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.844 -13.881 7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.930 -14.184 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.472 -12.437 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.506 -12.955 8.697 1.00 0.00 H new ATOM 333 N ALA A 25 4.909 -12.256 3.799 1.00 0.00 N ATOM 334 CA ALA A 25 5.762 -11.949 2.658 1.00 0.00 C ATOM 335 C ALA A 25 5.505 -10.537 2.144 1.00 0.00 C ATOM 336 O ALA A 25 6.389 -9.907 1.563 1.00 0.00 O ATOM 337 CB ALA A 25 5.543 -12.965 1.547 1.00 0.00 C ATOM 0 H ALA A 25 4.119 -12.864 3.584 1.00 0.00 H new ATOM 0 HA ALA A 25 6.800 -12.004 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.187 -12.723 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.785 -13.963 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.501 -12.938 1.229 1.00 0.00 H new ATOM 343 N ILE A 26 4.290 -10.045 2.361 1.00 0.00 N ATOM 344 CA ILE A 26 3.917 -8.707 1.920 1.00 0.00 C ATOM 345 C ILE A 26 4.509 -7.641 2.836 1.00 0.00 C ATOM 346 O ILE A 26 4.938 -6.582 2.379 1.00 0.00 O ATOM 347 CB ILE A 26 2.388 -8.535 1.873 1.00 0.00 C ATOM 348 CG1 ILE A 26 1.787 -9.416 0.775 1.00 0.00 C ATOM 349 CG2 ILE A 26 2.025 -7.075 1.645 1.00 0.00 C ATOM 350 CD1 ILE A 26 0.319 -9.152 0.525 1.00 0.00 C ATOM 0 H ILE A 26 3.547 -10.553 2.840 1.00 0.00 H new ATOM 0 HA ILE A 26 4.319 -8.583 0.915 1.00 0.00 H new ATOM 0 HB ILE A 26 1.973 -8.847 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.339 -9.256 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.918 -10.463 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.940 -6.970 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.425 -6.469 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.449 -6.738 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.040 -9.812 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.245 -9.340 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.183 -8.114 0.221 1.00 0.00 H new ATOM 362 N LYS A 27 4.532 -7.930 4.133 1.00 0.00 N ATOM 363 CA LYS A 27 5.074 -6.999 5.115 1.00 0.00 C ATOM 364 C LYS A 27 6.596 -6.943 5.029 1.00 0.00 C ATOM 365 O LYS A 27 7.191 -5.866 5.066 1.00 0.00 O ATOM 366 CB LYS A 27 4.647 -7.409 6.527 1.00 0.00 C ATOM 367 CG LYS A 27 5.421 -8.595 7.076 1.00 0.00 C ATOM 368 CD LYS A 27 5.051 -8.881 8.521 1.00 0.00 C ATOM 369 CE LYS A 27 5.715 -10.154 9.025 1.00 0.00 C ATOM 370 NZ LYS A 27 7.161 -9.947 9.317 1.00 0.00 N ATOM 0 H LYS A 27 4.181 -8.802 4.528 1.00 0.00 H new ATOM 0 HA LYS A 27 4.678 -6.007 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.776 -6.560 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.584 -7.651 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.219 -9.476 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.491 -8.397 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.350 -8.041 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.969 -8.975 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.208 -10.496 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.604 -10.941 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.692 -10.804 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.516 -9.143 8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.286 -9.749 10.330 1.00 0.00 H new ATOM 384 N LYS A 28 7.221 -8.110 4.913 1.00 0.00 N ATOM 385 CA LYS A 28 8.674 -8.194 4.819 1.00 0.00 C ATOM 386 C LYS A 28 9.173 -7.553 3.528 1.00 0.00 C ATOM 387 O LYS A 28 10.322 -7.122 3.442 1.00 0.00 O ATOM 388 CB LYS A 28 9.125 -9.655 4.884 1.00 0.00 C ATOM 389 CG LYS A 28 9.016 -10.264 6.271 1.00 0.00 C ATOM 390 CD LYS A 28 9.126 -11.779 6.225 1.00 0.00 C ATOM 391 CE LYS A 28 10.578 -12.232 6.209 1.00 0.00 C ATOM 392 NZ LYS A 28 11.254 -11.975 7.510 1.00 0.00 N ATOM 0 H LYS A 28 6.744 -9.011 4.882 1.00 0.00 H new ATOM 0 HA LYS A 28 9.101 -7.650 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.525 -10.243 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.159 -9.723 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.802 -9.860 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.064 -9.981 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.619 -12.208 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.617 -12.155 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.624 -13.297 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.112 -11.712 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.088 -12.590 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.552 -10.980 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.595 -12.176 8.289 1.00 0.00 H new ATOM 406 N ALA A 29 8.301 -7.494 2.526 1.00 0.00 N ATOM 407 CA ALA A 29 8.653 -6.902 1.241 1.00 0.00 C ATOM 408 C ALA A 29 8.259 -5.430 1.188 1.00 0.00 C ATOM 409 O ALA A 29 8.756 -4.675 0.353 1.00 0.00 O ATOM 410 CB ALA A 29 7.989 -7.670 0.108 1.00 0.00 C ATOM 0 H ALA A 29 7.346 -7.849 2.580 1.00 0.00 H new ATOM 0 HA ALA A 29 9.735 -6.965 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.260 -7.218 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.324 -8.707 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.906 -7.636 0.231 1.00 0.00 H new ATOM 416 N TYR A 30 7.364 -5.030 2.084 1.00 0.00 N ATOM 417 CA TYR A 30 6.901 -3.648 2.137 1.00 0.00 C ATOM 418 C TYR A 30 7.745 -2.827 3.106 1.00 0.00 C ATOM 419 O TYR A 30 8.296 -1.788 2.741 1.00 0.00 O ATOM 420 CB TYR A 30 5.430 -3.597 2.554 1.00 0.00 C ATOM 421 CG TYR A 30 5.064 -2.352 3.330 1.00 0.00 C ATOM 422 CD1 TYR A 30 4.866 -1.139 2.683 1.00 0.00 C ATOM 423 CD2 TYR A 30 4.915 -2.390 4.711 1.00 0.00 C ATOM 424 CE1 TYR A 30 4.533 0.001 3.389 1.00 0.00 C ATOM 425 CE2 TYR A 30 4.580 -1.255 5.425 1.00 0.00 C ATOM 426 CZ TYR A 30 4.390 -0.062 4.759 1.00 0.00 C ATOM 427 OH TYR A 30 4.057 1.071 5.466 1.00 0.00 O ATOM 0 H TYR A 30 6.945 -5.643 2.783 1.00 0.00 H new ATOM 0 HA TYR A 30 7.005 -3.218 1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.806 -3.656 1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.202 -4.473 3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.974 -1.086 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.064 -3.322 5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.385 0.937 2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.468 -1.302 6.498 1.00 0.00 H new ATOM 0 HH TYR A 30 3.995 0.855 6.420 1.00 0.00 H new ATOM 437 N ARG A 31 7.842 -3.302 4.344 1.00 0.00 N ATOM 438 CA ARG A 31 8.619 -2.612 5.367 1.00 0.00 C ATOM 439 C ARG A 31 9.962 -2.150 4.811 1.00 0.00 C ATOM 440 O ARG A 31 10.516 -1.143 5.253 1.00 0.00 O ATOM 441 CB ARG A 31 8.842 -3.529 6.572 1.00 0.00 C ATOM 442 CG ARG A 31 7.567 -3.855 7.333 1.00 0.00 C ATOM 443 CD ARG A 31 7.854 -4.701 8.564 1.00 0.00 C ATOM 444 NE ARG A 31 8.132 -3.880 9.739 1.00 0.00 N ATOM 445 CZ ARG A 31 8.432 -4.382 10.932 1.00 0.00 C ATOM 446 NH1 ARG A 31 8.494 -5.694 11.106 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.672 -3.570 11.953 1.00 0.00 N ATOM 0 H ARG A 31 7.393 -4.161 4.662 1.00 0.00 H new ATOM 0 HA ARG A 31 8.056 -1.734 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.299 -4.458 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.550 -3.056 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.074 -2.930 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.877 -4.386 6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.000 -5.347 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.706 -5.351 8.366 1.00 0.00 H new ATOM 0 HE ARG A 31 8.094 -2.866 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.311 -6.322 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.725 -6.077 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.626 -2.559 11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.902 -3.956 12.869 1.00 0.00 H new ATOM 461 N LYS A 32 10.482 -2.892 3.840 1.00 0.00 N ATOM 462 CA LYS A 32 11.760 -2.560 3.222 1.00 0.00 C ATOM 463 C LYS A 32 11.610 -1.384 2.261 1.00 0.00 C ATOM 464 O LYS A 32 12.515 -0.559 2.128 1.00 0.00 O ATOM 465 CB LYS A 32 12.320 -3.773 2.476 1.00 0.00 C ATOM 466 CG LYS A 32 11.585 -4.085 1.184 1.00 0.00 C ATOM 467 CD LYS A 32 11.678 -5.561 0.833 1.00 0.00 C ATOM 468 CE LYS A 32 13.057 -5.923 0.304 1.00 0.00 C ATOM 469 NZ LYS A 32 13.318 -5.312 -1.029 1.00 0.00 N ATOM 0 H LYS A 32 10.037 -3.729 3.463 1.00 0.00 H new ATOM 0 HA LYS A 32 12.454 -2.275 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.372 -3.597 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.274 -4.644 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.538 -3.798 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.004 -3.490 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.457 -6.161 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.924 -5.806 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.816 -5.589 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.145 -7.007 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.119 -5.796 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.472 -5.408 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.545 -4.304 -0.910 1.00 0.00 H new ATOM 483 N LEU A 33 10.462 -1.312 1.596 1.00 0.00 N ATOM 484 CA LEU A 33 10.193 -0.235 0.649 1.00 0.00 C ATOM 485 C LEU A 33 9.765 1.035 1.376 1.00 0.00 C ATOM 486 O LEU A 33 10.263 2.123 1.091 1.00 0.00 O ATOM 487 CB LEU A 33 9.108 -0.661 -0.341 1.00 0.00 C ATOM 488 CG LEU A 33 9.476 -1.800 -1.293 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.259 -2.248 -2.086 1.00 0.00 C ATOM 490 CD2 LEU A 33 10.597 -1.371 -2.229 1.00 0.00 C ATOM 0 H LEU A 33 9.703 -1.986 1.695 1.00 0.00 H new ATOM 0 HA LEU A 33 11.113 -0.025 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.225 -0.958 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.827 0.207 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 33 9.828 -2.644 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.541 -3.059 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.486 -2.596 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.876 -1.410 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.846 -2.194 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.273 -0.511 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.476 -1.101 -1.644 1.00 0.00 H new ATOM 502 N ALA A 34 8.839 0.888 2.318 1.00 0.00 N ATOM 503 CA ALA A 34 8.347 2.023 3.089 1.00 0.00 C ATOM 504 C ALA A 34 9.500 2.827 3.679 1.00 0.00 C ATOM 505 O ALA A 34 9.405 4.045 3.836 1.00 0.00 O ATOM 506 CB ALA A 34 7.414 1.546 4.193 1.00 0.00 C ATOM 0 H ALA A 34 8.415 -0.006 2.565 1.00 0.00 H new ATOM 0 HA ALA A 34 7.791 2.675 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.054 2.404 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.567 1.021 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.952 0.871 4.858 1.00 0.00 H new ATOM 512 N LEU A 35 10.589 2.140 4.006 1.00 0.00 N ATOM 513 CA LEU A 35 11.761 2.791 4.580 1.00 0.00 C ATOM 514 C LEU A 35 12.797 3.095 3.503 1.00 0.00 C ATOM 515 O LEU A 35 13.745 3.847 3.731 1.00 0.00 O ATOM 516 CB LEU A 35 12.380 1.907 5.664 1.00 0.00 C ATOM 517 CG LEU A 35 11.697 1.944 7.032 1.00 0.00 C ATOM 518 CD1 LEU A 35 12.130 0.757 7.877 1.00 0.00 C ATOM 519 CD2 LEU A 35 12.007 3.251 7.747 1.00 0.00 C ATOM 0 H LEU A 35 10.685 1.132 3.883 1.00 0.00 H new ATOM 0 HA LEU A 35 11.441 3.733 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.380 0.877 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.422 2.200 5.792 1.00 0.00 H new ATOM 0 HG LEU A 35 10.619 1.882 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.634 0.800 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.857 -0.169 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.210 0.787 8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.513 3.260 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.084 3.343 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.646 4.088 7.149 1.00 0.00 H new ATOM 531 N LYS A 36 12.610 2.506 2.326 1.00 0.00 N ATOM 532 CA LYS A 36 13.525 2.716 1.211 1.00 0.00 C ATOM 533 C LYS A 36 13.143 3.963 0.420 1.00 0.00 C ATOM 534 O LYS A 36 14.006 4.659 -0.115 1.00 0.00 O ATOM 535 CB LYS A 36 13.527 1.494 0.289 1.00 0.00 C ATOM 536 CG LYS A 36 14.444 1.640 -0.913 1.00 0.00 C ATOM 537 CD LYS A 36 14.182 0.560 -1.949 1.00 0.00 C ATOM 538 CE LYS A 36 14.598 1.011 -3.341 1.00 0.00 C ATOM 539 NZ LYS A 36 16.080 1.045 -3.493 1.00 0.00 N ATOM 0 H LYS A 36 11.832 1.879 2.120 1.00 0.00 H new ATOM 0 HA LYS A 36 14.526 2.859 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.830 0.618 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.511 1.311 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.300 2.621 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.483 1.589 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.728 -0.344 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.122 0.304 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.172 0.337 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.190 2.002 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.323 1.357 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.485 1.708 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.468 0.094 -3.329 1.00 0.00 H new ATOM 553 N TRP A 37 11.846 4.238 0.350 1.00 0.00 N ATOM 554 CA TRP A 37 11.350 5.403 -0.375 1.00 0.00 C ATOM 555 C TRP A 37 10.811 6.455 0.588 1.00 0.00 C ATOM 556 O TRP A 37 10.109 7.382 0.182 1.00 0.00 O ATOM 557 CB TRP A 37 10.256 4.988 -1.360 1.00 0.00 C ATOM 558 CG TRP A 37 10.742 4.058 -2.430 1.00 0.00 C ATOM 559 CD1 TRP A 37 10.581 2.702 -2.474 1.00 0.00 C ATOM 560 CD2 TRP A 37 11.471 4.415 -3.610 1.00 0.00 C ATOM 561 NE1 TRP A 37 11.165 2.195 -3.609 1.00 0.00 N ATOM 562 CE2 TRP A 37 11.717 3.226 -4.323 1.00 0.00 C ATOM 563 CE3 TRP A 37 11.938 5.623 -4.134 1.00 0.00 C ATOM 564 CZ2 TRP A 37 12.410 3.212 -5.531 1.00 0.00 C ATOM 565 CZ3 TRP A 37 12.626 5.609 -5.332 1.00 0.00 C ATOM 566 CH2 TRP A 37 12.856 4.410 -6.020 1.00 0.00 C ATOM 0 H TRP A 37 11.119 3.671 0.786 1.00 0.00 H new ATOM 0 HA TRP A 37 12.183 5.837 -0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.446 4.507 -0.811 1.00 0.00 H new ATOM 0 HB3 TRP A 37 9.839 5.881 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.069 2.115 -1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.185 1.211 -3.877 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.764 6.552 -3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.589 2.289 -6.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.993 6.537 -5.745 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.396 4.432 -6.955 1.00 0.00 H new ATOM 577 N HIS A 38 11.143 6.306 1.867 1.00 0.00 N ATOM 578 CA HIS A 38 10.692 7.245 2.888 1.00 0.00 C ATOM 579 C HIS A 38 11.341 8.612 2.693 1.00 0.00 C ATOM 580 O HIS A 38 12.522 8.725 2.363 1.00 0.00 O ATOM 581 CB HIS A 38 11.016 6.709 4.283 1.00 0.00 C ATOM 582 CG HIS A 38 10.078 7.196 5.344 1.00 0.00 C ATOM 583 ND1 HIS A 38 10.427 8.150 6.276 1.00 0.00 N ATOM 584 CD2 HIS A 38 8.797 6.856 5.617 1.00 0.00 C ATOM 585 CE1 HIS A 38 9.401 8.375 7.078 1.00 0.00 C ATOM 586 NE2 HIS A 38 8.399 7.603 6.699 1.00 0.00 N ATOM 0 H HIS A 38 11.722 5.545 2.221 1.00 0.00 H new ATOM 0 HA HIS A 38 9.612 7.357 2.792 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.991 5.620 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 38 12.033 6.999 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.199 6.132 5.084 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.385 9.072 7.903 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.479 7.567 7.138 1.00 0.00 H new ATOM 594 N PRO A 39 10.552 9.677 2.901 1.00 0.00 N ATOM 595 CA PRO A 39 11.029 11.056 2.753 1.00 0.00 C ATOM 596 C PRO A 39 12.014 11.449 3.849 1.00 0.00 C ATOM 597 O PRO A 39 12.722 12.449 3.730 1.00 0.00 O ATOM 598 CB PRO A 39 9.748 11.887 2.863 1.00 0.00 C ATOM 599 CG PRO A 39 8.814 11.041 3.658 1.00 0.00 C ATOM 600 CD PRO A 39 9.135 9.618 3.296 1.00 0.00 C ATOM 0 HA PRO A 39 11.570 11.203 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.936 12.840 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.337 12.113 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.947 11.211 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.776 11.279 3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.981 8.944 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.506 9.259 2.482 1.00 0.00 H new ATOM 608 N ASP A 40 12.055 10.656 4.914 1.00 0.00 N ATOM 609 CA ASP A 40 12.955 10.921 6.030 1.00 0.00 C ATOM 610 C ASP A 40 14.278 10.183 5.848 1.00 0.00 C ATOM 611 O ASP A 40 15.286 10.532 6.463 1.00 0.00 O ATOM 612 CB ASP A 40 12.302 10.505 7.349 1.00 0.00 C ATOM 613 CG ASP A 40 12.897 11.228 8.542 1.00 0.00 C ATOM 614 OD1 ASP A 40 12.892 12.476 8.542 1.00 0.00 O ATOM 615 OD2 ASP A 40 13.367 10.545 9.476 1.00 0.00 O ATOM 0 H ASP A 40 11.475 9.824 5.028 1.00 0.00 H new ATOM 0 HA ASP A 40 13.157 11.992 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.232 10.708 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.417 9.430 7.485 1.00 0.00 H new ATOM 620 N LYS A 41 14.267 9.160 5.000 1.00 0.00 N ATOM 621 CA LYS A 41 15.465 8.372 4.736 1.00 0.00 C ATOM 622 C LYS A 41 16.104 8.781 3.412 1.00 0.00 C ATOM 623 O LYS A 41 17.304 8.603 3.211 1.00 0.00 O ATOM 624 CB LYS A 41 15.123 6.881 4.710 1.00 0.00 C ATOM 625 CG LYS A 41 14.329 6.418 5.919 1.00 0.00 C ATOM 626 CD LYS A 41 15.241 6.037 7.074 1.00 0.00 C ATOM 627 CE LYS A 41 14.547 6.216 8.415 1.00 0.00 C ATOM 628 NZ LYS A 41 15.306 5.573 9.523 1.00 0.00 N ATOM 0 H LYS A 41 13.441 8.857 4.484 1.00 0.00 H new ATOM 0 HA LYS A 41 16.179 8.561 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.553 6.663 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.047 6.306 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.652 7.211 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.712 5.563 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.557 5.000 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.142 6.650 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.430 7.279 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.545 5.789 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.800 5.718 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.396 4.554 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.253 5.998 9.587 1.00 0.00 H new ATOM 642 N ASN A 42 15.293 9.330 2.514 1.00 0.00 N ATOM 643 CA ASN A 42 15.781 9.765 1.209 1.00 0.00 C ATOM 644 C ASN A 42 15.666 11.279 1.063 1.00 0.00 C ATOM 645 O ASN A 42 14.716 11.801 0.480 1.00 0.00 O ATOM 646 CB ASN A 42 14.997 9.073 0.092 1.00 0.00 C ATOM 647 CG ASN A 42 15.120 7.562 0.151 1.00 0.00 C ATOM 648 OD1 ASN A 42 15.920 6.965 -0.569 1.00 0.00 O ATOM 649 ND2 ASN A 42 14.323 6.937 1.011 1.00 0.00 N ATOM 0 H ASN A 42 14.296 9.484 2.665 1.00 0.00 H new ATOM 0 HA ASN A 42 16.833 9.489 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.946 9.352 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.357 9.427 -0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.359 5.921 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.675 7.473 1.588 1.00 0.00 H new ATOM 656 N PRO A 43 16.658 12.003 1.604 1.00 0.00 N ATOM 657 CA PRO A 43 16.692 13.467 1.546 1.00 0.00 C ATOM 658 C PRO A 43 16.952 13.985 0.135 1.00 0.00 C ATOM 659 O PRO A 43 16.290 14.914 -0.325 1.00 0.00 O ATOM 660 CB PRO A 43 17.856 13.832 2.471 1.00 0.00 C ATOM 661 CG PRO A 43 18.737 12.631 2.463 1.00 0.00 C ATOM 662 CD PRO A 43 17.822 11.447 2.313 1.00 0.00 C ATOM 0 HA PRO A 43 15.740 13.909 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 43 18.386 14.714 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 17.505 14.059 3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.453 12.678 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.314 12.564 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.293 10.645 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.542 11.031 3.281 1.00 0.00 H new ATOM 670 N GLU A 44 17.918 13.377 -0.546 1.00 0.00 N ATOM 671 CA GLU A 44 18.264 13.779 -1.904 1.00 0.00 C ATOM 672 C GLU A 44 17.111 13.500 -2.864 1.00 0.00 C ATOM 673 O GLU A 44 16.849 14.279 -3.779 1.00 0.00 O ATOM 674 CB GLU A 44 19.521 13.043 -2.373 1.00 0.00 C ATOM 675 CG GLU A 44 19.443 11.535 -2.204 1.00 0.00 C ATOM 676 CD GLU A 44 19.870 11.080 -0.823 1.00 0.00 C ATOM 677 OE1 GLU A 44 20.901 11.580 -0.326 1.00 0.00 O ATOM 678 OE2 GLU A 44 19.174 10.223 -0.238 1.00 0.00 O ATOM 0 H GLU A 44 18.475 12.605 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 44 18.460 14.851 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.696 13.274 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.380 13.418 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.421 11.205 -2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.075 11.056 -2.952 1.00 0.00 H new ATOM 685 N ASN A 45 16.426 12.381 -2.648 1.00 0.00 N ATOM 686 CA ASN A 45 15.302 11.998 -3.494 1.00 0.00 C ATOM 687 C ASN A 45 13.978 12.192 -2.760 1.00 0.00 C ATOM 688 O ASN A 45 12.964 11.591 -3.116 1.00 0.00 O ATOM 689 CB ASN A 45 15.443 10.540 -3.937 1.00 0.00 C ATOM 690 CG ASN A 45 14.743 10.266 -5.253 1.00 0.00 C ATOM 691 OD1 ASN A 45 14.502 11.178 -6.044 1.00 0.00 O ATOM 692 ND2 ASN A 45 14.412 9.002 -5.495 1.00 0.00 N ATOM 0 H ASN A 45 16.630 11.724 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 45 15.307 12.640 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.500 10.293 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.031 9.888 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.939 8.756 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.631 8.278 -4.811 1.00 0.00 H new ATOM 699 N LYS A 46 13.995 13.036 -1.734 1.00 0.00 N ATOM 700 CA LYS A 46 12.797 13.312 -0.950 1.00 0.00 C ATOM 701 C LYS A 46 11.590 13.527 -1.858 1.00 0.00 C ATOM 702 O LYS A 46 10.495 13.041 -1.576 1.00 0.00 O ATOM 703 CB LYS A 46 13.011 14.545 -0.070 1.00 0.00 C ATOM 704 CG LYS A 46 12.191 14.529 1.209 1.00 0.00 C ATOM 705 CD LYS A 46 12.270 15.860 1.938 1.00 0.00 C ATOM 706 CE LYS A 46 13.569 15.992 2.718 1.00 0.00 C ATOM 707 NZ LYS A 46 13.576 17.204 3.583 1.00 0.00 N ATOM 0 H LYS A 46 14.826 13.541 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 46 12.603 12.448 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.068 14.619 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.759 15.438 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.151 14.304 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.549 13.733 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.192 16.675 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.424 15.954 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.714 15.105 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.407 16.037 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.478 17.258 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.463 18.053 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.792 17.149 4.264 1.00 0.00 H new ATOM 721 N GLU A 47 11.799 14.256 -2.950 1.00 0.00 N ATOM 722 CA GLU A 47 10.727 14.534 -3.899 1.00 0.00 C ATOM 723 C GLU A 47 10.102 13.238 -4.408 1.00 0.00 C ATOM 724 O GLU A 47 8.887 13.054 -4.338 1.00 0.00 O ATOM 725 CB GLU A 47 11.258 15.353 -5.077 1.00 0.00 C ATOM 726 CG GLU A 47 12.438 14.709 -5.784 1.00 0.00 C ATOM 727 CD GLU A 47 13.292 15.715 -6.530 1.00 0.00 C ATOM 728 OE1 GLU A 47 13.812 16.647 -5.881 1.00 0.00 O ATOM 729 OE2 GLU A 47 13.439 15.572 -7.762 1.00 0.00 O ATOM 0 H GLU A 47 12.700 14.664 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 47 9.959 15.110 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.453 15.504 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.554 16.339 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.054 14.187 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.071 13.959 -6.485 1.00 0.00 H new ATOM 736 N GLU A 48 10.942 12.343 -4.919 1.00 0.00 N ATOM 737 CA GLU A 48 10.471 11.066 -5.441 1.00 0.00 C ATOM 738 C GLU A 48 9.948 10.178 -4.316 1.00 0.00 C ATOM 739 O GLU A 48 8.810 9.711 -4.358 1.00 0.00 O ATOM 740 CB GLU A 48 11.598 10.349 -6.189 1.00 0.00 C ATOM 741 CG GLU A 48 11.106 9.282 -7.153 1.00 0.00 C ATOM 742 CD GLU A 48 12.050 9.072 -8.321 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.341 10.056 -9.032 1.00 0.00 O ATOM 744 OE2 GLU A 48 12.497 7.923 -8.524 1.00 0.00 O ATOM 0 H GLU A 48 11.951 12.479 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 48 9.653 11.265 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.182 11.085 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.269 9.890 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.983 8.341 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.123 9.564 -7.531 1.00 0.00 H new ATOM 751 N ALA A 49 10.787 9.949 -3.311 1.00 0.00 N ATOM 752 CA ALA A 49 10.410 9.119 -2.174 1.00 0.00 C ATOM 753 C ALA A 49 9.063 9.550 -1.604 1.00 0.00 C ATOM 754 O ALA A 49 8.234 8.713 -1.247 1.00 0.00 O ATOM 755 CB ALA A 49 11.484 9.179 -1.098 1.00 0.00 C ATOM 0 H ALA A 49 11.733 10.327 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 49 10.316 8.090 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.189 8.555 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.428 8.817 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.605 10.209 -0.762 1.00 0.00 H new ATOM 761 N GLU A 50 8.851 10.860 -1.521 1.00 0.00 N ATOM 762 CA GLU A 50 7.604 11.399 -0.991 1.00 0.00 C ATOM 763 C GLU A 50 6.407 10.877 -1.780 1.00 0.00 C ATOM 764 O GLU A 50 5.290 10.819 -1.267 1.00 0.00 O ATOM 765 CB GLU A 50 7.627 12.929 -1.032 1.00 0.00 C ATOM 766 CG GLU A 50 8.236 13.561 0.209 1.00 0.00 C ATOM 767 CD GLU A 50 8.149 15.075 0.194 1.00 0.00 C ATOM 768 OE1 GLU A 50 8.098 15.656 -0.909 1.00 0.00 O ATOM 769 OE2 GLU A 50 8.132 15.678 1.288 1.00 0.00 O ATOM 0 H GLU A 50 9.526 11.567 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 50 7.506 11.071 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.190 13.252 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.608 13.296 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.726 13.180 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.281 13.261 0.289 1.00 0.00 H new ATOM 776 N ARG A 51 6.650 10.498 -3.031 1.00 0.00 N ATOM 777 CA ARG A 51 5.593 9.982 -3.892 1.00 0.00 C ATOM 778 C ARG A 51 5.563 8.457 -3.862 1.00 0.00 C ATOM 779 O ARG A 51 4.496 7.848 -3.773 1.00 0.00 O ATOM 780 CB ARG A 51 5.791 10.471 -5.328 1.00 0.00 C ATOM 781 CG ARG A 51 5.220 11.856 -5.584 1.00 0.00 C ATOM 782 CD ARG A 51 6.220 12.945 -5.227 1.00 0.00 C ATOM 783 NE ARG A 51 5.653 14.282 -5.385 1.00 0.00 N ATOM 784 CZ ARG A 51 4.799 14.824 -4.525 1.00 0.00 C ATOM 785 NH1 ARG A 51 4.415 14.148 -3.450 1.00 0.00 N ATOM 786 NH2 ARG A 51 4.327 16.046 -4.738 1.00 0.00 N ATOM 0 H ARG A 51 7.570 10.539 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 51 4.640 10.354 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.857 10.479 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.324 9.762 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.940 11.947 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.310 11.990 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.550 12.811 -4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.102 12.848 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 51 5.928 14.829 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.776 13.209 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.759 14.567 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.620 16.569 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.671 16.462 -4.077 1.00 0.00 H new ATOM 800 N ARG A 52 6.741 7.845 -3.937 1.00 0.00 N ATOM 801 CA ARG A 52 6.850 6.392 -3.921 1.00 0.00 C ATOM 802 C ARG A 52 6.320 5.822 -2.608 1.00 0.00 C ATOM 803 O ARG A 52 5.670 4.776 -2.591 1.00 0.00 O ATOM 804 CB ARG A 52 8.305 5.965 -4.123 1.00 0.00 C ATOM 805 CG ARG A 52 8.666 5.703 -5.577 1.00 0.00 C ATOM 806 CD ARG A 52 8.269 4.299 -6.004 1.00 0.00 C ATOM 807 NE ARG A 52 8.304 4.138 -7.455 1.00 0.00 N ATOM 808 CZ ARG A 52 8.024 2.998 -8.076 1.00 0.00 C ATOM 809 NH1 ARG A 52 7.689 1.923 -7.375 1.00 0.00 N ATOM 810 NH2 ARG A 52 8.078 2.930 -9.400 1.00 0.00 N ATOM 0 H ARG A 52 7.633 8.334 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 52 6.246 5.999 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.961 6.741 -3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.494 5.062 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.167 6.433 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.739 5.838 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.942 3.576 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.266 4.079 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 52 8.558 4.946 -8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.646 1.971 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.474 1.048 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.335 3.754 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.863 2.053 -9.875 1.00 0.00 H new ATOM 824 N PHE A 53 6.602 6.516 -1.511 1.00 0.00 N ATOM 825 CA PHE A 53 6.155 6.079 -0.194 1.00 0.00 C ATOM 826 C PHE A 53 4.635 6.155 -0.081 1.00 0.00 C ATOM 827 O PHE A 53 4.021 5.431 0.702 1.00 0.00 O ATOM 828 CB PHE A 53 6.802 6.934 0.898 1.00 0.00 C ATOM 829 CG PHE A 53 6.393 6.541 2.289 1.00 0.00 C ATOM 830 CD1 PHE A 53 6.742 5.303 2.804 1.00 0.00 C ATOM 831 CD2 PHE A 53 5.659 7.410 3.081 1.00 0.00 C ATOM 832 CE1 PHE A 53 6.368 4.938 4.083 1.00 0.00 C ATOM 833 CE2 PHE A 53 5.283 7.051 4.361 1.00 0.00 C ATOM 834 CZ PHE A 53 5.636 5.813 4.863 1.00 0.00 C ATOM 0 H PHE A 53 7.138 7.384 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 53 6.460 5.041 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.886 6.859 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.540 7.979 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.313 4.615 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.378 8.378 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.647 3.970 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.713 7.738 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.341 5.530 5.862 1.00 0.00 H new ATOM 844 N LYS A 54 4.034 7.040 -0.870 1.00 0.00 N ATOM 845 CA LYS A 54 2.586 7.213 -0.862 1.00 0.00 C ATOM 846 C LYS A 54 1.888 5.988 -1.445 1.00 0.00 C ATOM 847 O LYS A 54 0.878 5.527 -0.914 1.00 0.00 O ATOM 848 CB LYS A 54 2.196 8.461 -1.656 1.00 0.00 C ATOM 849 CG LYS A 54 2.445 9.760 -0.909 1.00 0.00 C ATOM 850 CD LYS A 54 1.449 9.952 0.222 1.00 0.00 C ATOM 851 CE LYS A 54 0.107 10.445 -0.295 1.00 0.00 C ATOM 852 NZ LYS A 54 0.198 11.823 -0.851 1.00 0.00 N ATOM 0 H LYS A 54 4.528 7.648 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 54 2.266 7.334 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.756 8.476 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.140 8.399 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.458 9.761 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.376 10.598 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.312 9.009 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.848 10.667 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.257 9.766 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.622 10.428 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.750 12.250 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.821 12.399 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.587 11.784 -1.815 1.00 0.00 H new ATOM 866 N GLN A 55 2.434 5.466 -2.539 1.00 0.00 N ATOM 867 CA GLN A 55 1.864 4.295 -3.193 1.00 0.00 C ATOM 868 C GLN A 55 2.217 3.021 -2.433 1.00 0.00 C ATOM 869 O GLN A 55 1.401 2.107 -2.319 1.00 0.00 O ATOM 870 CB GLN A 55 2.362 4.197 -4.636 1.00 0.00 C ATOM 871 CG GLN A 55 3.754 3.599 -4.759 1.00 0.00 C ATOM 872 CD GLN A 55 4.085 3.179 -6.178 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.960 2.342 -6.402 1.00 0.00 O ATOM 874 NE2 GLN A 55 3.386 3.760 -7.146 1.00 0.00 N ATOM 0 H GLN A 55 3.270 5.836 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 55 0.780 4.405 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.663 3.591 -5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.363 5.192 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.490 4.328 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.833 2.734 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.670 4.449 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.565 3.518 -8.120 1.00 0.00 H new ATOM 883 N VAL A 56 3.440 2.967 -1.914 1.00 0.00 N ATOM 884 CA VAL A 56 3.902 1.805 -1.164 1.00 0.00 C ATOM 885 C VAL A 56 3.099 1.625 0.119 1.00 0.00 C ATOM 886 O VAL A 56 2.635 0.527 0.424 1.00 0.00 O ATOM 887 CB VAL A 56 5.396 1.924 -0.809 1.00 0.00 C ATOM 888 CG1 VAL A 56 5.860 0.700 -0.034 1.00 0.00 C ATOM 889 CG2 VAL A 56 6.229 2.115 -2.067 1.00 0.00 C ATOM 0 H VAL A 56 4.129 3.715 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 56 3.757 0.936 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 56 5.532 2.800 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.918 0.802 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.284 0.613 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.711 -0.193 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.282 2.197 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.090 1.260 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.913 3.025 -2.578 1.00 0.00 H new ATOM 899 N ALA A 57 2.938 2.711 0.868 1.00 0.00 N ATOM 900 CA ALA A 57 2.188 2.674 2.117 1.00 0.00 C ATOM 901 C ALA A 57 0.757 2.202 1.885 1.00 0.00 C ATOM 902 O ALA A 57 0.269 1.309 2.576 1.00 0.00 O ATOM 903 CB ALA A 57 2.194 4.045 2.777 1.00 0.00 C ATOM 0 H ALA A 57 3.317 3.628 0.631 1.00 0.00 H new ATOM 0 HA ALA A 57 2.674 1.961 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.630 4.003 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.221 4.343 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.735 4.773 2.108 1.00 0.00 H new ATOM 909 N GLU A 58 0.090 2.810 0.908 1.00 0.00 N ATOM 910 CA GLU A 58 -1.287 2.452 0.587 1.00 0.00 C ATOM 911 C GLU A 58 -1.377 1.003 0.116 1.00 0.00 C ATOM 912 O GLU A 58 -2.371 0.321 0.359 1.00 0.00 O ATOM 913 CB GLU A 58 -1.842 3.386 -0.490 1.00 0.00 C ATOM 914 CG GLU A 58 -3.217 2.982 -0.997 1.00 0.00 C ATOM 915 CD GLU A 58 -3.932 4.114 -1.709 1.00 0.00 C ATOM 916 OE1 GLU A 58 -3.246 4.957 -2.322 1.00 0.00 O ATOM 917 OE2 GLU A 58 -5.179 4.155 -1.652 1.00 0.00 O ATOM 0 H GLU A 58 0.480 3.551 0.326 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.884 2.559 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.895 4.398 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.148 3.412 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.115 2.137 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.825 2.644 -0.158 1.00 0.00 H new ATOM 924 N ALA A 59 -0.330 0.542 -0.561 1.00 0.00 N ATOM 925 CA ALA A 59 -0.289 -0.825 -1.066 1.00 0.00 C ATOM 926 C ALA A 59 -0.297 -1.833 0.078 1.00 0.00 C ATOM 927 O ALA A 59 -1.161 -2.708 0.142 1.00 0.00 O ATOM 928 CB ALA A 59 0.938 -1.028 -1.942 1.00 0.00 C ATOM 0 H ALA A 59 0.501 1.095 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.183 -0.990 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.955 -2.053 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.901 -0.338 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.838 -0.838 -1.357 1.00 0.00 H new ATOM 934 N TYR A 60 0.671 -1.706 0.979 1.00 0.00 N ATOM 935 CA TYR A 60 0.777 -2.608 2.119 1.00 0.00 C ATOM 936 C TYR A 60 -0.433 -2.470 3.038 1.00 0.00 C ATOM 937 O TYR A 60 -0.875 -3.441 3.650 1.00 0.00 O ATOM 938 CB TYR A 60 2.061 -2.326 2.902 1.00 0.00 C ATOM 939 CG TYR A 60 2.103 -2.994 4.258 1.00 0.00 C ATOM 940 CD1 TYR A 60 2.501 -4.318 4.390 1.00 0.00 C ATOM 941 CD2 TYR A 60 1.745 -2.300 5.407 1.00 0.00 C ATOM 942 CE1 TYR A 60 2.540 -4.933 5.626 1.00 0.00 C ATOM 943 CE2 TYR A 60 1.783 -2.906 6.648 1.00 0.00 C ATOM 944 CZ TYR A 60 2.180 -4.222 6.752 1.00 0.00 C ATOM 945 OH TYR A 60 2.219 -4.830 7.986 1.00 0.00 O ATOM 0 H TYR A 60 1.393 -0.987 0.942 1.00 0.00 H new ATOM 0 HA TYR A 60 0.807 -3.629 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.916 -2.661 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.167 -1.249 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.785 -4.877 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.432 -1.269 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.850 -5.964 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.503 -2.352 7.532 1.00 0.00 H new ATOM 0 HH TYR A 60 1.937 -4.192 8.674 1.00 0.00 H new ATOM 955 N GLU A 61 -0.963 -1.254 3.129 1.00 0.00 N ATOM 956 CA GLU A 61 -2.121 -0.987 3.973 1.00 0.00 C ATOM 957 C GLU A 61 -3.346 -1.747 3.471 1.00 0.00 C ATOM 958 O GLU A 61 -4.196 -2.165 4.258 1.00 0.00 O ATOM 959 CB GLU A 61 -2.418 0.513 4.011 1.00 0.00 C ATOM 960 CG GLU A 61 -3.254 0.938 5.206 1.00 0.00 C ATOM 961 CD GLU A 61 -2.413 1.224 6.435 1.00 0.00 C ATOM 962 OE1 GLU A 61 -1.552 0.383 6.772 1.00 0.00 O ATOM 963 OE2 GLU A 61 -2.614 2.286 7.059 1.00 0.00 O ATOM 0 H GLU A 61 -0.609 -0.439 2.629 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.890 -1.329 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.476 1.061 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.938 0.795 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.826 1.829 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.974 0.154 5.438 1.00 0.00 H new ATOM 970 N VAL A 62 -3.430 -1.921 2.156 1.00 0.00 N ATOM 971 CA VAL A 62 -4.550 -2.630 1.549 1.00 0.00 C ATOM 972 C VAL A 62 -4.281 -4.129 1.484 1.00 0.00 C ATOM 973 O VAL A 62 -5.161 -4.942 1.771 1.00 0.00 O ATOM 974 CB VAL A 62 -4.839 -2.110 0.128 1.00 0.00 C ATOM 975 CG1 VAL A 62 -5.835 -3.015 -0.580 1.00 0.00 C ATOM 976 CG2 VAL A 62 -5.350 -0.678 0.179 1.00 0.00 C ATOM 0 H VAL A 62 -2.736 -1.581 1.491 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.420 -2.447 2.180 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.909 -2.120 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.027 -2.631 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.426 -4.023 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.768 -3.040 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.549 -0.326 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.269 -0.640 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.598 -0.040 0.643 1.00 0.00 H new ATOM 986 N LEU A 63 -3.059 -4.490 1.106 1.00 0.00 N ATOM 987 CA LEU A 63 -2.673 -5.893 1.004 1.00 0.00 C ATOM 988 C LEU A 63 -2.544 -6.524 2.387 1.00 0.00 C ATOM 989 O LEU A 63 -3.163 -7.549 2.673 1.00 0.00 O ATOM 990 CB LEU A 63 -1.351 -6.024 0.246 1.00 0.00 C ATOM 991 CG LEU A 63 -1.353 -5.521 -1.198 1.00 0.00 C ATOM 992 CD1 LEU A 63 -0.046 -5.879 -1.889 1.00 0.00 C ATOM 993 CD2 LEU A 63 -2.537 -6.096 -1.961 1.00 0.00 C ATOM 0 H LEU A 63 -2.319 -3.831 0.865 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.453 -6.421 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.584 -5.481 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.059 -7.074 0.243 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.448 -4.435 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.065 -5.513 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.786 -5.419 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.079 -6.962 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.523 -5.727 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.473 -7.184 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.465 -5.789 -1.478 1.00 0.00 H new ATOM 1005 N SER A 64 -1.738 -5.903 3.243 1.00 0.00 N ATOM 1006 CA SER A 64 -1.527 -6.404 4.595 1.00 0.00 C ATOM 1007 C SER A 64 -2.858 -6.606 5.314 1.00 0.00 C ATOM 1008 O SER A 64 -2.934 -7.320 6.314 1.00 0.00 O ATOM 1009 CB SER A 64 -0.647 -5.437 5.389 1.00 0.00 C ATOM 1010 OG SER A 64 -1.404 -4.344 5.879 1.00 0.00 O ATOM 0 H SER A 64 -1.221 -5.052 3.023 1.00 0.00 H new ATOM 0 HA SER A 64 -1.023 -7.368 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.182 -5.964 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.159 -5.070 4.754 1.00 0.00 H new ATOM 0 HG SER A 64 -1.490 -3.665 5.177 1.00 0.00 H new ATOM 1016 N ASP A 65 -3.904 -5.971 4.797 1.00 0.00 N ATOM 1017 CA ASP A 65 -5.233 -6.080 5.387 1.00 0.00 C ATOM 1018 C ASP A 65 -5.997 -7.259 4.793 1.00 0.00 C ATOM 1019 O ASP A 65 -5.813 -7.605 3.626 1.00 0.00 O ATOM 1020 CB ASP A 65 -6.018 -4.786 5.171 1.00 0.00 C ATOM 1021 CG ASP A 65 -7.016 -4.521 6.281 1.00 0.00 C ATOM 1022 OD1 ASP A 65 -8.158 -5.016 6.183 1.00 0.00 O ATOM 1023 OD2 ASP A 65 -6.654 -3.820 7.248 1.00 0.00 O ATOM 0 H ASP A 65 -3.857 -5.375 3.970 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.115 -6.250 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.322 -3.949 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.545 -4.839 4.218 1.00 0.00 H new ATOM 1028 N ALA A 66 -6.852 -7.873 5.603 1.00 0.00 N ATOM 1029 CA ALA A 66 -7.644 -9.012 5.157 1.00 0.00 C ATOM 1030 C ALA A 66 -8.925 -8.554 4.466 1.00 0.00 C ATOM 1031 O ALA A 66 -9.469 -9.257 3.614 1.00 0.00 O ATOM 1032 CB ALA A 66 -7.973 -9.920 6.333 1.00 0.00 C ATOM 0 H ALA A 66 -7.014 -7.601 6.572 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.052 -9.573 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.565 -10.766 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.049 -10.284 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.542 -9.361 7.076 1.00 0.00 H new ATOM 1038 N LYS A 67 -9.402 -7.371 4.839 1.00 0.00 N ATOM 1039 CA LYS A 67 -10.618 -6.818 4.256 1.00 0.00 C ATOM 1040 C LYS A 67 -10.297 -5.977 3.025 1.00 0.00 C ATOM 1041 O LYS A 67 -10.911 -6.141 1.970 1.00 0.00 O ATOM 1042 CB LYS A 67 -11.362 -5.968 5.288 1.00 0.00 C ATOM 1043 CG LYS A 67 -11.784 -6.743 6.524 1.00 0.00 C ATOM 1044 CD LYS A 67 -13.080 -7.501 6.293 1.00 0.00 C ATOM 1045 CE LYS A 67 -14.293 -6.610 6.509 1.00 0.00 C ATOM 1046 NZ LYS A 67 -15.549 -7.259 6.039 1.00 0.00 N ATOM 0 H LYS A 67 -8.964 -6.777 5.543 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.255 -7.648 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.724 -5.138 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.247 -5.536 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.996 -7.444 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.908 -6.055 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.095 -7.898 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.129 -8.354 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.383 -6.370 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.151 -5.668 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.353 -6.620 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.474 -7.466 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.699 -8.145 6.562 1.00 0.00 H new ATOM 1060 N LYS A 68 -9.330 -5.076 3.165 1.00 0.00 N ATOM 1061 CA LYS A 68 -8.925 -4.211 2.064 1.00 0.00 C ATOM 1062 C LYS A 68 -8.334 -5.027 0.919 1.00 0.00 C ATOM 1063 O LYS A 68 -8.665 -4.810 -0.247 1.00 0.00 O ATOM 1064 CB LYS A 68 -7.904 -3.179 2.549 1.00 0.00 C ATOM 1065 CG LYS A 68 -8.270 -2.538 3.876 1.00 0.00 C ATOM 1066 CD LYS A 68 -7.279 -1.453 4.263 1.00 0.00 C ATOM 1067 CE LYS A 68 -7.706 -0.093 3.730 1.00 0.00 C ATOM 1068 NZ LYS A 68 -7.139 0.175 2.380 1.00 0.00 N ATOM 0 H LYS A 68 -8.812 -4.926 4.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.811 -3.693 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.931 -3.660 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.802 -2.399 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.271 -2.112 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.298 -3.301 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.192 -1.409 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.292 -1.704 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.794 -0.046 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.383 0.686 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.982 1.197 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.234 -0.328 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.804 -0.157 1.652 1.00 0.00 H new ATOM 1082 N ARG A 69 -7.459 -5.968 1.259 1.00 0.00 N ATOM 1083 CA ARG A 69 -6.822 -6.817 0.259 1.00 0.00 C ATOM 1084 C ARG A 69 -7.865 -7.605 -0.528 1.00 0.00 C ATOM 1085 O ARG A 69 -7.924 -7.523 -1.755 1.00 0.00 O ATOM 1086 CB ARG A 69 -5.838 -7.778 0.927 1.00 0.00 C ATOM 1087 CG ARG A 69 -5.006 -8.581 -0.059 1.00 0.00 C ATOM 1088 CD ARG A 69 -4.104 -9.576 0.653 1.00 0.00 C ATOM 1089 NE ARG A 69 -3.880 -10.780 -0.143 1.00 0.00 N ATOM 1090 CZ ARG A 69 -2.859 -11.608 0.048 1.00 0.00 C ATOM 1091 NH1 ARG A 69 -1.973 -11.364 1.004 1.00 0.00 N ATOM 1092 NH2 ARG A 69 -2.723 -12.683 -0.718 1.00 0.00 N ATOM 0 H ARG A 69 -7.175 -6.162 2.219 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.278 -6.175 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.170 -7.209 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.392 -8.465 1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.666 -9.113 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.399 -7.904 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.147 -9.104 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.551 -9.851 1.608 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.544 -10.997 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.075 -10.539 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.190 -12.002 1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.403 -12.874 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.939 -13.318 -0.571 1.00 0.00 H new ATOM 1106 N ASP A 70 -8.685 -8.368 0.186 1.00 0.00 N ATOM 1107 CA ASP A 70 -9.726 -9.172 -0.444 1.00 0.00 C ATOM 1108 C ASP A 70 -10.544 -8.331 -1.419 1.00 0.00 C ATOM 1109 O ASP A 70 -10.819 -8.757 -2.542 1.00 0.00 O ATOM 1110 CB ASP A 70 -10.642 -9.782 0.617 1.00 0.00 C ATOM 1111 CG ASP A 70 -11.229 -11.110 0.181 1.00 0.00 C ATOM 1112 OD1 ASP A 70 -10.544 -11.847 -0.557 1.00 0.00 O ATOM 1113 OD2 ASP A 70 -12.375 -11.411 0.577 1.00 0.00 O ATOM 0 H ASP A 70 -8.649 -8.447 1.202 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.244 -9.976 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.080 -9.922 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.451 -9.086 0.838 1.00 0.00 H new ATOM 1118 N ILE A 71 -10.932 -7.138 -0.983 1.00 0.00 N ATOM 1119 CA ILE A 71 -11.719 -6.238 -1.817 1.00 0.00 C ATOM 1120 C ILE A 71 -10.971 -5.879 -3.096 1.00 0.00 C ATOM 1121 O ILE A 71 -11.544 -5.888 -4.186 1.00 0.00 O ATOM 1122 CB ILE A 71 -12.079 -4.943 -1.065 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -13.044 -5.246 0.083 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -12.686 -3.927 -2.021 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -13.063 -4.178 1.154 1.00 0.00 C ATOM 0 H ILE A 71 -10.714 -6.772 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.637 -6.767 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.167 -4.518 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -14.050 -5.363 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.769 -6.199 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.935 -3.017 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.968 -3.693 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.590 -4.342 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -13.769 -4.459 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.067 -4.076 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.367 -3.228 0.715 1.00 0.00 H new ATOM 1137 N TYR A 72 -9.688 -5.564 -2.956 1.00 0.00 N ATOM 1138 CA TYR A 72 -8.861 -5.201 -4.100 1.00 0.00 C ATOM 1139 C TYR A 72 -8.722 -6.374 -5.066 1.00 0.00 C ATOM 1140 O TYR A 72 -9.026 -6.254 -6.253 1.00 0.00 O ATOM 1141 CB TYR A 72 -7.478 -4.746 -3.632 1.00 0.00 C ATOM 1142 CG TYR A 72 -6.516 -4.469 -4.765 1.00 0.00 C ATOM 1143 CD1 TYR A 72 -6.827 -3.549 -5.758 1.00 0.00 C ATOM 1144 CD2 TYR A 72 -5.294 -5.127 -4.841 1.00 0.00 C ATOM 1145 CE1 TYR A 72 -5.951 -3.293 -6.795 1.00 0.00 C ATOM 1146 CE2 TYR A 72 -4.412 -4.877 -5.874 1.00 0.00 C ATOM 1147 CZ TYR A 72 -4.745 -3.960 -6.849 1.00 0.00 C ATOM 1148 OH TYR A 72 -3.869 -3.707 -7.880 1.00 0.00 O ATOM 0 H TYR A 72 -9.198 -5.553 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.350 -4.379 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.586 -3.844 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.052 -5.513 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.770 -3.025 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.030 -5.846 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.209 -2.575 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.466 -5.397 -5.918 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.066 -4.258 -7.770 1.00 0.00 H new ATOM 1158 N ASP A 73 -8.262 -7.507 -4.548 1.00 0.00 N ATOM 1159 CA ASP A 73 -8.084 -8.704 -5.363 1.00 0.00 C ATOM 1160 C ASP A 73 -9.411 -9.151 -5.968 1.00 0.00 C ATOM 1161 O ASP A 73 -9.445 -9.726 -7.056 1.00 0.00 O ATOM 1162 CB ASP A 73 -7.486 -9.834 -4.523 1.00 0.00 C ATOM 1163 CG ASP A 73 -6.814 -10.893 -5.374 1.00 0.00 C ATOM 1164 OD1 ASP A 73 -5.691 -10.641 -5.860 1.00 0.00 O ATOM 1165 OD2 ASP A 73 -7.410 -11.975 -5.554 1.00 0.00 O ATOM 0 H ASP A 73 -8.005 -7.622 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.398 -8.463 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.760 -9.419 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.273 -10.296 -3.927 1.00 0.00 H new ATOM 1170 N ARG A 74 -10.501 -8.884 -5.256 1.00 0.00 N ATOM 1171 CA ARG A 74 -11.830 -9.261 -5.722 1.00 0.00 C ATOM 1172 C ARG A 74 -12.295 -8.337 -6.844 1.00 0.00 C ATOM 1173 O ARG A 74 -12.551 -8.783 -7.962 1.00 0.00 O ATOM 1174 CB ARG A 74 -12.830 -9.220 -4.565 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.906 -10.519 -3.780 1.00 0.00 C ATOM 1176 CD ARG A 74 -13.419 -10.287 -2.367 1.00 0.00 C ATOM 1177 NE ARG A 74 -14.024 -11.489 -1.799 1.00 0.00 N ATOM 1178 CZ ARG A 74 -15.279 -11.858 -2.029 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -16.058 -11.122 -2.810 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -15.758 -12.965 -1.476 1.00 0.00 N ATOM 0 H ARG A 74 -10.490 -8.408 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.777 -10.278 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.556 -8.411 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.819 -8.985 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.563 -11.219 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.919 -10.979 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.596 -9.961 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.153 -9.481 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.452 -12.077 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.694 -10.270 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.021 -11.408 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.162 -13.533 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.722 -13.248 -1.653 1.00 0.00 H new ATOM 1194 N TYR A 75 -12.402 -7.049 -6.536 1.00 0.00 N ATOM 1195 CA TYR A 75 -12.839 -6.063 -7.517 1.00 0.00 C ATOM 1196 C TYR A 75 -11.663 -5.223 -8.006 1.00 0.00 C ATOM 1197 O TYR A 75 -11.389 -5.154 -9.203 1.00 0.00 O ATOM 1198 CB TYR A 75 -13.913 -5.156 -6.915 1.00 0.00 C ATOM 1199 CG TYR A 75 -14.888 -5.885 -6.018 1.00 0.00 C ATOM 1200 CD1 TYR A 75 -14.638 -6.029 -4.659 1.00 0.00 C ATOM 1201 CD2 TYR A 75 -16.060 -6.428 -6.530 1.00 0.00 C ATOM 1202 CE1 TYR A 75 -15.526 -6.695 -3.836 1.00 0.00 C ATOM 1203 CE2 TYR A 75 -16.954 -7.095 -5.714 1.00 0.00 C ATOM 1204 CZ TYR A 75 -16.682 -7.225 -4.368 1.00 0.00 C ATOM 1205 OH TYR A 75 -17.570 -7.888 -3.551 1.00 0.00 O ATOM 0 H TYR A 75 -12.192 -6.664 -5.615 1.00 0.00 H new ATOM 0 HA TYR A 75 -13.260 -6.597 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.429 -4.364 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.465 -4.675 -7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -13.734 -5.613 -4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.276 -6.327 -7.583 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -15.316 -6.800 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -17.860 -7.512 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 75 -18.333 -8.199 -4.082 1.00 0.00 H new ATOM 1215 N GLY A 76 -10.970 -4.584 -7.068 1.00 0.00 N ATOM 1216 CA GLY A 76 -9.831 -3.757 -7.421 1.00 0.00 C ATOM 1217 C GLY A 76 -10.044 -2.297 -7.070 1.00 0.00 C ATOM 1218 O GLY A 76 -9.589 -1.830 -6.026 1.00 0.00 O ATOM 0 H GLY A 76 -11.177 -4.624 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.944 -4.126 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.638 -3.846 -8.490 1.00 0.00 H new ATOM 1222 N SER A 77 -10.736 -1.575 -7.946 1.00 0.00 N ATOM 1223 CA SER A 77 -11.003 -0.158 -7.726 1.00 0.00 C ATOM 1224 C SER A 77 -12.498 0.133 -7.822 1.00 0.00 C ATOM 1225 O SER A 77 -13.099 0.009 -8.888 1.00 0.00 O ATOM 1226 CB SER A 77 -10.240 0.690 -8.745 1.00 0.00 C ATOM 1227 OG SER A 77 -10.644 2.047 -8.683 1.00 0.00 O ATOM 0 H SER A 77 -11.122 -1.947 -8.814 1.00 0.00 H new ATOM 0 HA SER A 77 -10.664 0.100 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.169 0.617 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.413 0.301 -9.749 1.00 0.00 H new ATOM 0 HG SER A 77 -10.141 2.569 -9.343 1.00 0.00 H new ATOM 1233 N GLY A 78 -13.091 0.524 -6.698 1.00 0.00 N ATOM 1234 CA GLY A 78 -14.510 0.827 -6.675 1.00 0.00 C ATOM 1235 C GLY A 78 -14.854 1.915 -5.677 1.00 0.00 C ATOM 1236 O GLY A 78 -14.109 2.180 -4.733 1.00 0.00 O ATOM 0 H GLY A 78 -12.614 0.636 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.828 1.137 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.068 -0.077 -6.429 1.00 0.00 H new ATOM 1240 N PRO A 79 -16.008 2.568 -5.882 1.00 0.00 N ATOM 1241 CA PRO A 79 -16.475 3.645 -5.004 1.00 0.00 C ATOM 1242 C PRO A 79 -16.896 3.132 -3.631 1.00 0.00 C ATOM 1243 O PRO A 79 -16.964 1.925 -3.403 1.00 0.00 O ATOM 1244 CB PRO A 79 -17.681 4.217 -5.754 1.00 0.00 C ATOM 1245 CG PRO A 79 -18.167 3.093 -6.601 1.00 0.00 C ATOM 1246 CD PRO A 79 -16.946 2.305 -6.987 1.00 0.00 C ATOM 0 HA PRO A 79 -15.692 4.377 -4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -18.453 4.555 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.398 5.077 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.876 2.471 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.686 3.466 -7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.167 1.242 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.542 2.633 -7.944 1.00 0.00 H new ATOM 1254 N SER A 80 -17.177 4.058 -2.719 1.00 0.00 N ATOM 1255 CA SER A 80 -17.588 3.699 -1.367 1.00 0.00 C ATOM 1256 C SER A 80 -19.100 3.510 -1.291 1.00 0.00 C ATOM 1257 O SER A 80 -19.841 4.450 -1.007 1.00 0.00 O ATOM 1258 CB SER A 80 -17.147 4.776 -0.374 1.00 0.00 C ATOM 1259 OG SER A 80 -17.041 4.248 0.937 1.00 0.00 O ATOM 0 H SER A 80 -17.127 5.062 -2.892 1.00 0.00 H new ATOM 0 HA SER A 80 -17.108 2.756 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.186 5.188 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.863 5.598 -0.382 1.00 0.00 H new ATOM 0 HG SER A 80 -16.756 4.955 1.553 1.00 0.00 H new ATOM 1265 N SER A 81 -19.550 2.286 -1.548 1.00 0.00 N ATOM 1266 CA SER A 81 -20.974 1.972 -1.513 1.00 0.00 C ATOM 1267 C SER A 81 -21.413 1.595 -0.102 1.00 0.00 C ATOM 1268 O SER A 81 -22.416 2.096 0.403 1.00 0.00 O ATOM 1269 CB SER A 81 -21.290 0.830 -2.480 1.00 0.00 C ATOM 1270 OG SER A 81 -20.962 1.183 -3.813 1.00 0.00 O ATOM 0 H SER A 81 -18.949 1.496 -1.783 1.00 0.00 H new ATOM 0 HA SER A 81 -21.524 2.861 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 81 -20.733 -0.061 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 81 -22.349 0.579 -2.417 1.00 0.00 H new ATOM 0 HG SER A 81 -21.172 0.435 -4.411 1.00 0.00 H new ATOM 1276 N GLY A 82 -20.652 0.706 0.530 1.00 0.00 N ATOM 1277 CA GLY A 82 -20.977 0.276 1.878 1.00 0.00 C ATOM 1278 C GLY A 82 -19.772 0.289 2.797 1.00 0.00 C ATOM 1279 O GLY A 82 -19.884 0.638 3.973 1.00 0.00 O ATOM 0 H GLY A 82 -19.817 0.276 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.749 0.927 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.394 -0.731 1.844 1.00 0.00 H new TER 1283 GLY A 82