USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 813 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 SER N :NH3+ -125:sc= 0.0803 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -10:sc= 0.0398 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 23 SER OG : rot 170:sc= -0.383 USER MOD Single : A 25 SER OG : rot 48:sc= 1.06 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.1 K(o=1.1,f=-0.032) USER MOD Single : A 33 SER OG : rot 158:sc= -3.23! USER MOD Single : A 35 MET CE :methyl -159:sc= -0.878 (180deg=-2.75) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= -0.508 (180deg=-0.523) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -177:sc= -0.544 USER MOD Single : A 41 SER OG : rot -3:sc= 0.694! USER MOD Single : A 42 GLN :FLIP amide:sc= -0.911 F(o=-5,f=-0.91) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.0343 (180deg=-0.328) USER MOD Single : A 52 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.48) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0845 F(o=-1.8,f=-0.084) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0389 F(o=-0.57,f=-0.039) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -67:sc= 0.953 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -73:sc= 0.557 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -50:sc= 0.922 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.0226 (180deg=-0.225) USER MOD Single : A 103 GLN : amide:sc= -3.67 K(o=-3.7,f=-5.3!) USER MOD Single : A 105 MET CE :methyl 174:sc= -1.27 (180deg=-1.35) USER MOD Single : A 107 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.4) USER MOD Single : A 108 SER OG : rot 5:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.802 1.518 0.855 1.00 0.00 N ATOM 2 CA SER A 1 2.818 0.444 0.923 1.00 0.00 C ATOM 3 C SER A 1 3.196 -0.700 -0.013 1.00 0.00 C ATOM 4 O SER A 1 4.083 -0.560 -0.856 1.00 0.00 O ATOM 5 CB SER A 1 1.428 0.974 0.565 1.00 0.00 C ATOM 6 OG SER A 1 0.413 0.123 1.068 1.00 0.00 O ATOM 0 H1 SER A 1 4.161 1.721 1.810 1.00 0.00 H new ATOM 0 H2 SER A 1 4.591 1.228 0.243 1.00 0.00 H new ATOM 0 H3 SER A 1 3.357 2.373 0.464 1.00 0.00 H new ATOM 0 HA SER A 1 2.802 0.064 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.301 1.977 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.334 1.056 -0.518 1.00 0.00 H new ATOM 0 HG SER A 1 -0.466 0.484 0.828 1.00 0.00 H new ATOM 12 N LEU A 2 2.515 -1.830 0.140 1.00 0.00 N ATOM 13 CA LEU A 2 2.778 -3.000 -0.691 1.00 0.00 C ATOM 14 C LEU A 2 1.646 -4.015 -0.576 1.00 0.00 C ATOM 15 O LEU A 2 0.960 -4.084 0.444 1.00 0.00 O ATOM 16 CB LEU A 2 4.103 -3.649 -0.289 1.00 0.00 C ATOM 17 CG LEU A 2 4.682 -4.663 -1.277 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.526 -3.960 -2.329 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.504 -5.713 -0.544 1.00 0.00 C ATOM 0 H LEU A 2 1.777 -1.961 0.831 1.00 0.00 H new ATOM 0 HA LEU A 2 2.842 -2.671 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.839 -2.860 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.964 -4.146 0.671 1.00 0.00 H new ATOM 0 HG LEU A 2 3.855 -5.165 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.930 -4.697 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.908 -3.248 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.346 -3.431 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.908 -6.426 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.324 -5.228 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.870 -6.238 0.170 1.00 0.00 H new ATOM 31 N THR A 3 1.456 -4.804 -1.629 1.00 0.00 N ATOM 32 CA THR A 3 0.408 -5.817 -1.646 1.00 0.00 C ATOM 33 C THR A 3 -0.935 -5.226 -1.232 1.00 0.00 C ATOM 34 O THR A 3 -1.713 -5.865 -0.523 1.00 0.00 O ATOM 35 CB THR A 3 0.748 -6.994 -0.713 1.00 0.00 C ATOM 36 OG1 THR A 3 0.530 -6.616 0.651 1.00 0.00 O ATOM 37 CG2 THR A 3 2.194 -7.431 -0.898 1.00 0.00 C ATOM 0 H THR A 3 2.015 -4.761 -2.481 1.00 0.00 H new ATOM 0 HA THR A 3 0.340 -6.184 -2.670 1.00 0.00 H new ATOM 0 HB THR A 3 0.097 -7.830 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.375 -5.650 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.411 -8.263 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.350 -7.745 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.858 -6.598 -0.668 1.00 0.00 H new ATOM 45 N ASP A 4 -1.201 -4.003 -1.678 1.00 0.00 N ATOM 46 CA ASP A 4 -2.451 -3.326 -1.354 1.00 0.00 C ATOM 47 C ASP A 4 -3.609 -3.913 -2.154 1.00 0.00 C ATOM 48 O ASP A 4 -4.419 -4.675 -1.625 1.00 0.00 O ATOM 49 CB ASP A 4 -2.331 -1.827 -1.631 1.00 0.00 C ATOM 50 CG ASP A 4 -3.672 -1.121 -1.591 1.00 0.00 C ATOM 51 OD1 ASP A 4 -4.297 -1.094 -0.510 1.00 0.00 O ATOM 52 OD2 ASP A 4 -4.097 -0.595 -2.641 1.00 0.00 O ATOM 0 H ASP A 4 -0.567 -3.460 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.653 -3.476 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.665 -1.377 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.874 -1.677 -2.609 1.00 0.00 H new ATOM 57 N ILE A 5 -3.682 -3.552 -3.431 1.00 0.00 N ATOM 58 CA ILE A 5 -4.742 -4.042 -4.304 1.00 0.00 C ATOM 59 C ILE A 5 -4.730 -5.565 -4.380 1.00 0.00 C ATOM 60 O ILE A 5 -5.746 -6.191 -4.684 1.00 0.00 O ATOM 61 CB ILE A 5 -4.611 -3.467 -5.726 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.993 -3.164 -6.307 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.855 -4.438 -6.622 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.131 -1.753 -6.833 1.00 0.00 C ATOM 0 H ILE A 5 -3.020 -2.922 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.686 -3.709 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.047 -2.535 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.201 -3.866 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.746 -3.332 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.770 -4.018 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.858 -4.608 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.394 -5.384 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.136 -1.609 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.955 -1.044 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.401 -1.587 -7.625 1.00 0.00 H new ATOM 76 N LEU A 6 -3.574 -6.157 -4.101 1.00 0.00 N ATOM 77 CA LEU A 6 -3.429 -7.608 -4.135 1.00 0.00 C ATOM 78 C LEU A 6 -3.478 -8.194 -2.728 1.00 0.00 C ATOM 79 O LEU A 6 -3.386 -7.468 -1.739 1.00 0.00 O ATOM 80 CB LEU A 6 -2.113 -7.993 -4.815 1.00 0.00 C ATOM 81 CG LEU A 6 -2.097 -9.346 -5.528 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.617 -10.440 -4.588 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.478 -9.677 -6.074 1.00 0.00 C ATOM 0 H LEU A 6 -2.723 -5.654 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.261 -8.018 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.862 -7.219 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.324 -7.992 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.402 -9.285 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.613 -11.395 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.608 -10.209 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.286 -10.501 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.448 -10.643 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.194 -9.718 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.783 -8.907 -6.783 1.00 0.00 H new ATOM 95 N SER A 7 -3.622 -9.513 -2.647 1.00 0.00 N ATOM 96 CA SER A 7 -3.685 -10.197 -1.360 1.00 0.00 C ATOM 97 C SER A 7 -2.284 -10.473 -0.823 1.00 0.00 C ATOM 98 O SER A 7 -1.463 -11.129 -1.465 1.00 0.00 O ATOM 99 CB SER A 7 -4.460 -11.509 -1.494 1.00 0.00 C ATOM 100 OG SER A 7 -5.849 -11.302 -1.308 1.00 0.00 O ATOM 0 H SER A 7 -3.697 -10.129 -3.456 1.00 0.00 H new ATOM 0 HA SER A 7 -4.204 -9.547 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.282 -11.941 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.095 -12.227 -0.760 1.00 0.00 H new ATOM 0 HG SER A 7 -6.322 -12.155 -1.400 1.00 0.00 H new ATOM 106 N PRO A 8 -2.002 -9.961 0.385 1.00 0.00 N ATOM 107 CA PRO A 8 -0.702 -10.139 1.036 1.00 0.00 C ATOM 108 C PRO A 8 -0.470 -11.578 1.485 1.00 0.00 C ATOM 109 O PRO A 8 0.654 -12.079 1.438 1.00 0.00 O ATOM 110 CB PRO A 8 -0.782 -9.208 2.249 1.00 0.00 C ATOM 111 CG PRO A 8 -2.239 -9.087 2.538 1.00 0.00 C ATOM 112 CD PRO A 8 -2.933 -9.169 1.206 1.00 0.00 C ATOM 0 HA PRO A 8 0.125 -9.914 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.242 -9.621 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.339 -8.236 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.573 -9.884 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.461 -8.143 3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.906 -9.652 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.103 -8.180 0.780 1.00 0.00 H new ATOM 120 N SER A 9 -1.539 -12.237 1.918 1.00 0.00 N ATOM 121 CA SER A 9 -1.451 -13.618 2.378 1.00 0.00 C ATOM 122 C SER A 9 -1.717 -14.590 1.232 1.00 0.00 C ATOM 123 O SER A 9 -2.115 -15.734 1.454 1.00 0.00 O ATOM 124 CB SER A 9 -2.448 -13.865 3.513 1.00 0.00 C ATOM 125 OG SER A 9 -3.746 -14.120 3.005 1.00 0.00 O ATOM 0 H SER A 9 -2.476 -11.837 1.960 1.00 0.00 H new ATOM 0 HA SER A 9 -0.440 -13.788 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.117 -14.711 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.476 -12.997 4.172 1.00 0.00 H new ATOM 0 HG SER A 9 -4.364 -14.276 3.750 1.00 0.00 H new ATOM 131 N ASP A 10 -1.494 -14.127 0.008 1.00 0.00 N ATOM 132 CA ASP A 10 -1.708 -14.954 -1.174 1.00 0.00 C ATOM 133 C ASP A 10 -0.445 -15.019 -2.027 1.00 0.00 C ATOM 134 O ASP A 10 -0.190 -16.018 -2.700 1.00 0.00 O ATOM 135 CB ASP A 10 -2.871 -14.406 -2.003 1.00 0.00 C ATOM 136 CG ASP A 10 -4.213 -14.625 -1.333 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.282 -14.510 -0.092 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.194 -14.913 -2.050 1.00 0.00 O ATOM 0 H ASP A 10 -1.165 -13.183 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.953 -15.963 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.722 -13.339 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.874 -14.886 -2.981 1.00 0.00 H new ATOM 143 N ILE A 11 0.341 -13.948 -1.995 1.00 0.00 N ATOM 144 CA ILE A 11 1.577 -13.885 -2.765 1.00 0.00 C ATOM 145 C ILE A 11 2.606 -14.876 -2.235 1.00 0.00 C ATOM 146 O ILE A 11 3.418 -15.408 -2.992 1.00 0.00 O ATOM 147 CB ILE A 11 2.183 -12.469 -2.741 1.00 0.00 C ATOM 148 CG1 ILE A 11 1.181 -11.451 -3.288 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.475 -12.433 -3.543 1.00 0.00 C ATOM 150 CD1 ILE A 11 1.102 -10.181 -2.470 1.00 0.00 C ATOM 0 H ILE A 11 0.144 -13.112 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 11 1.323 -14.145 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 11 2.411 -12.205 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.455 -11.197 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.193 -11.910 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.892 -11.426 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.191 -13.133 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.270 -12.714 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.372 -9.506 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.798 -10.423 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.079 -9.699 -2.452 1.00 0.00 H new ATOM 162 N ALA A 12 2.566 -15.122 -0.930 1.00 0.00 N ATOM 163 CA ALA A 12 3.493 -16.053 -0.299 1.00 0.00 C ATOM 164 C ALA A 12 3.170 -17.493 -0.681 1.00 0.00 C ATOM 165 O ALA A 12 4.051 -18.352 -0.703 1.00 0.00 O ATOM 166 CB ALA A 12 3.461 -15.887 1.213 1.00 0.00 C ATOM 0 H ALA A 12 1.901 -14.689 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 12 4.497 -15.826 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.158 -16.589 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.748 -14.868 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.454 -16.085 1.580 1.00 0.00 H new ATOM 172 N ALA A 13 1.901 -17.751 -0.981 1.00 0.00 N ATOM 173 CA ALA A 13 1.463 -19.087 -1.364 1.00 0.00 C ATOM 174 C ALA A 13 2.167 -19.553 -2.634 1.00 0.00 C ATOM 175 O ALA A 13 2.198 -20.746 -2.935 1.00 0.00 O ATOM 176 CB ALA A 13 -0.047 -19.112 -1.556 1.00 0.00 C ATOM 0 H ALA A 13 1.158 -17.052 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 13 1.728 -19.774 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.361 -20.116 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.537 -18.830 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.326 -18.408 -2.340 1.00 0.00 H new ATOM 182 N ALA A 14 2.731 -18.605 -3.374 1.00 0.00 N ATOM 183 CA ALA A 14 3.436 -18.919 -4.611 1.00 0.00 C ATOM 184 C ALA A 14 4.941 -18.735 -4.447 1.00 0.00 C ATOM 185 O ALA A 14 5.734 -19.487 -5.015 1.00 0.00 O ATOM 186 CB ALA A 14 2.917 -18.054 -5.749 1.00 0.00 C ATOM 0 H ALA A 14 2.714 -17.613 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 14 3.249 -19.966 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.453 -18.299 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.852 -18.239 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.074 -17.003 -5.508 1.00 0.00 H new ATOM 192 N LEU A 15 5.327 -17.731 -3.667 1.00 0.00 N ATOM 193 CA LEU A 15 6.738 -17.447 -3.429 1.00 0.00 C ATOM 194 C LEU A 15 7.441 -18.656 -2.820 1.00 0.00 C ATOM 195 O LEU A 15 8.637 -18.862 -3.029 1.00 0.00 O ATOM 196 CB LEU A 15 6.886 -16.237 -2.505 1.00 0.00 C ATOM 197 CG LEU A 15 6.604 -14.873 -3.135 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.687 -13.774 -2.087 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.575 -14.601 -4.274 1.00 0.00 C ATOM 0 H LEU A 15 4.683 -17.101 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 15 7.205 -17.223 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.215 -16.369 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.902 -16.229 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 15 5.593 -14.884 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.483 -12.810 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.951 -13.961 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.686 -13.762 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.360 -13.626 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.596 -14.610 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.466 -15.372 -5.037 1.00 0.00 H new ATOM 211 N ARG A 16 6.691 -19.453 -2.066 1.00 0.00 N ATOM 212 CA ARG A 16 7.242 -20.642 -1.428 1.00 0.00 C ATOM 213 C ARG A 16 6.937 -21.891 -2.249 1.00 0.00 C ATOM 214 O ARG A 16 7.839 -22.657 -2.590 1.00 0.00 O ATOM 215 CB ARG A 16 6.676 -20.797 -0.015 1.00 0.00 C ATOM 216 CG ARG A 16 7.307 -21.933 0.773 1.00 0.00 C ATOM 217 CD ARG A 16 6.586 -23.249 0.526 1.00 0.00 C ATOM 218 NE ARG A 16 6.759 -24.184 1.635 1.00 0.00 N ATOM 219 CZ ARG A 16 6.174 -25.375 1.690 1.00 0.00 C ATOM 220 NH1 ARG A 16 5.382 -25.775 0.705 1.00 0.00 N ATOM 221 NH2 ARG A 16 6.380 -26.169 2.733 1.00 0.00 N ATOM 0 H ARG A 16 5.700 -19.297 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 16 8.324 -20.523 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.821 -19.864 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.601 -20.964 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.356 -22.033 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.282 -21.697 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.524 -23.058 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.962 -23.702 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 16 7.362 -23.907 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.220 -25.167 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.934 -26.690 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.988 -25.865 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.930 -27.084 2.774 1.00 0.00 H new ATOM 235 N ASP A 17 5.662 -22.090 -2.562 1.00 0.00 N ATOM 236 CA ASP A 17 5.238 -23.246 -3.344 1.00 0.00 C ATOM 237 C ASP A 17 6.008 -23.325 -4.658 1.00 0.00 C ATOM 238 O ASP A 17 6.413 -24.406 -5.088 1.00 0.00 O ATOM 239 CB ASP A 17 3.735 -23.177 -3.622 1.00 0.00 C ATOM 240 CG ASP A 17 3.156 -24.523 -4.010 1.00 0.00 C ATOM 241 OD1 ASP A 17 2.983 -25.376 -3.113 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.874 -24.724 -5.209 1.00 0.00 O ATOM 0 H ASP A 17 4.904 -21.466 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 17 5.451 -24.144 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.221 -22.806 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.549 -22.460 -4.422 1.00 0.00 H new ATOM 247 N CYS A 18 6.205 -22.175 -5.292 1.00 0.00 N ATOM 248 CA CYS A 18 6.925 -22.114 -6.560 1.00 0.00 C ATOM 249 C CYS A 18 8.354 -21.623 -6.350 1.00 0.00 C ATOM 250 O CYS A 18 8.966 -21.062 -7.258 1.00 0.00 O ATOM 251 CB CYS A 18 6.196 -21.195 -7.541 1.00 0.00 C ATOM 252 SG CYS A 18 4.436 -21.565 -7.730 1.00 0.00 S ATOM 0 H CYS A 18 5.877 -21.272 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 18 6.963 -23.120 -6.977 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.306 -20.164 -7.206 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.678 -21.266 -8.516 1.00 0.00 H new ATOM 0 HG CYS A 18 3.906 -20.734 -8.577 1.00 0.00 H new ATOM 258 N GLN A 19 8.877 -21.836 -5.147 1.00 0.00 N ATOM 259 CA GLN A 19 10.233 -21.412 -4.818 1.00 0.00 C ATOM 260 C GLN A 19 11.257 -22.154 -5.671 1.00 0.00 C ATOM 261 O GLN A 19 12.356 -21.656 -5.911 1.00 0.00 O ATOM 262 CB GLN A 19 10.518 -21.650 -3.334 1.00 0.00 C ATOM 263 CG GLN A 19 11.828 -21.041 -2.861 1.00 0.00 C ATOM 264 CD GLN A 19 11.978 -21.078 -1.353 1.00 0.00 C ATOM 265 OE1 GLN A 19 12.950 -21.621 -0.828 1.00 0.00 O ATOM 266 NE2 GLN A 19 11.014 -20.498 -0.648 1.00 0.00 N ATOM 0 H GLN A 19 8.383 -22.299 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 19 10.316 -20.346 -5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.700 -21.235 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.536 -22.723 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.660 -21.577 -3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.888 -20.008 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.226 -20.060 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.061 -20.491 0.371 1.00 0.00 H new ATOM 275 N ALA A 20 10.888 -23.348 -6.124 1.00 0.00 N ATOM 276 CA ALA A 20 11.774 -24.158 -6.951 1.00 0.00 C ATOM 277 C ALA A 20 12.124 -23.438 -8.249 1.00 0.00 C ATOM 278 O ALA A 20 11.438 -22.509 -8.677 1.00 0.00 O ATOM 279 CB ALA A 20 11.133 -25.505 -7.249 1.00 0.00 C ATOM 0 H ALA A 20 9.982 -23.775 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 20 12.698 -24.322 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.806 -26.099 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.940 -26.031 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.193 -25.351 -7.780 1.00 0.00 H new ATOM 285 N PRO A 21 13.218 -23.873 -8.892 1.00 0.00 N ATOM 286 CA PRO A 21 13.683 -23.283 -10.151 1.00 0.00 C ATOM 287 C PRO A 21 12.753 -23.597 -11.317 1.00 0.00 C ATOM 288 O PRO A 21 12.326 -24.739 -11.493 1.00 0.00 O ATOM 289 CB PRO A 21 15.050 -23.939 -10.366 1.00 0.00 C ATOM 290 CG PRO A 21 14.971 -25.230 -9.627 1.00 0.00 C ATOM 291 CD PRO A 21 14.083 -24.975 -8.440 1.00 0.00 C ATOM 0 HA PRO A 21 13.719 -22.195 -10.102 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.249 -24.101 -11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.855 -23.312 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.560 -26.017 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.961 -25.559 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.503 -25.859 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.661 -24.697 -7.558 1.00 0.00 H new ATOM 299 N ASP A 22 12.443 -22.579 -12.111 1.00 0.00 N ATOM 300 CA ASP A 22 11.563 -22.747 -13.263 1.00 0.00 C ATOM 301 C ASP A 22 10.165 -23.169 -12.822 1.00 0.00 C ATOM 302 O ASP A 22 9.402 -23.736 -13.603 1.00 0.00 O ATOM 303 CB ASP A 22 12.142 -23.783 -14.227 1.00 0.00 C ATOM 304 CG ASP A 22 13.658 -23.753 -14.268 1.00 0.00 C ATOM 305 OD1 ASP A 22 14.231 -22.645 -14.195 1.00 0.00 O ATOM 306 OD2 ASP A 22 14.270 -24.836 -14.373 1.00 0.00 O ATOM 0 H ASP A 22 12.788 -21.628 -11.979 1.00 0.00 H new ATOM 0 HA ASP A 22 11.488 -21.788 -13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.809 -24.777 -13.930 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.751 -23.602 -15.228 1.00 0.00 H new ATOM 311 N SER A 23 9.837 -22.889 -11.565 1.00 0.00 N ATOM 312 CA SER A 23 8.533 -23.244 -11.018 1.00 0.00 C ATOM 313 C SER A 23 7.656 -22.005 -10.856 1.00 0.00 C ATOM 314 O SER A 23 6.429 -22.098 -10.835 1.00 0.00 O ATOM 315 CB SER A 23 8.696 -23.947 -9.669 1.00 0.00 C ATOM 316 OG SER A 23 7.439 -24.154 -9.047 1.00 0.00 O ATOM 0 H SER A 23 10.456 -22.417 -10.906 1.00 0.00 H new ATOM 0 HA SER A 23 8.046 -23.924 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.196 -24.905 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.333 -23.349 -9.018 1.00 0.00 H new ATOM 0 HG SER A 23 7.551 -24.742 -8.271 1.00 0.00 H new ATOM 322 N PHE A 24 8.296 -20.846 -10.741 1.00 0.00 N ATOM 323 CA PHE A 24 7.577 -19.588 -10.579 1.00 0.00 C ATOM 324 C PHE A 24 7.446 -18.861 -11.915 1.00 0.00 C ATOM 325 O PHE A 24 8.273 -19.031 -12.810 1.00 0.00 O ATOM 326 CB PHE A 24 8.293 -18.693 -9.566 1.00 0.00 C ATOM 327 CG PHE A 24 7.546 -17.428 -9.251 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.292 -17.477 -8.663 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.098 -16.191 -9.542 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.603 -16.316 -8.370 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.413 -15.026 -9.251 1.00 0.00 C ATOM 332 CZ PHE A 24 6.163 -15.089 -8.666 1.00 0.00 C ATOM 0 H PHE A 24 9.312 -20.752 -10.757 1.00 0.00 H new ATOM 0 HA PHE A 24 6.577 -19.815 -10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.448 -19.253 -8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.279 -18.437 -9.953 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.848 -18.434 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.074 -16.136 -10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.627 -16.368 -7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.855 -14.068 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.625 -14.180 -8.441 1.00 0.00 H new ATOM 342 N SER A 25 6.399 -18.051 -12.040 1.00 0.00 N ATOM 343 CA SER A 25 6.156 -17.301 -13.267 1.00 0.00 C ATOM 344 C SER A 25 5.039 -16.281 -13.068 1.00 0.00 C ATOM 345 O SER A 25 4.222 -16.388 -12.153 1.00 0.00 O ATOM 346 CB SER A 25 5.796 -18.253 -14.409 1.00 0.00 C ATOM 347 OG SER A 25 6.960 -18.763 -15.036 1.00 0.00 O ATOM 0 H SER A 25 5.706 -17.898 -11.307 1.00 0.00 H new ATOM 0 HA SER A 25 7.071 -16.767 -13.524 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.196 -19.078 -14.023 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.184 -17.730 -15.143 1.00 0.00 H new ATOM 0 HG SER A 25 7.585 -19.084 -14.353 1.00 0.00 H new ATOM 353 N PRO A 26 5.001 -15.268 -13.946 1.00 0.00 N ATOM 354 CA PRO A 26 3.989 -14.209 -13.889 1.00 0.00 C ATOM 355 C PRO A 26 2.600 -14.714 -14.263 1.00 0.00 C ATOM 356 O PRO A 26 1.598 -14.289 -13.687 1.00 0.00 O ATOM 357 CB PRO A 26 4.484 -13.190 -14.919 1.00 0.00 C ATOM 358 CG PRO A 26 5.305 -13.985 -15.874 1.00 0.00 C ATOM 359 CD PRO A 26 5.943 -15.078 -15.062 1.00 0.00 C ATOM 0 HA PRO A 26 3.881 -13.801 -12.884 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.651 -12.701 -15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.075 -12.405 -14.447 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.686 -14.400 -16.669 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.061 -13.362 -16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.066 -15.991 -15.644 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.933 -14.790 -14.708 1.00 0.00 H new ATOM 367 N LYS A 27 2.547 -15.623 -15.230 1.00 0.00 N ATOM 368 CA LYS A 27 1.280 -16.188 -15.681 1.00 0.00 C ATOM 369 C LYS A 27 0.964 -17.479 -14.933 1.00 0.00 C ATOM 370 O LYS A 27 0.317 -18.378 -15.471 1.00 0.00 O ATOM 371 CB LYS A 27 1.325 -16.456 -17.187 1.00 0.00 C ATOM 372 CG LYS A 27 2.479 -17.348 -17.612 1.00 0.00 C ATOM 373 CD LYS A 27 1.998 -18.518 -18.454 1.00 0.00 C ATOM 374 CE LYS A 27 2.032 -19.821 -17.668 1.00 0.00 C ATOM 375 NZ LYS A 27 3.238 -20.632 -17.992 1.00 0.00 N ATOM 0 H LYS A 27 3.367 -15.985 -15.717 1.00 0.00 H new ATOM 0 HA LYS A 27 0.492 -15.465 -15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.387 -16.919 -17.493 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.398 -15.505 -17.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.202 -16.763 -18.180 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.995 -17.722 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.982 -18.326 -18.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.624 -18.611 -19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.018 -19.602 -16.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.135 -20.401 -17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.225 -21.511 -17.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.239 -20.863 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.094 -20.089 -17.760 1.00 0.00 H new ATOM 389 N LYS A 28 1.423 -17.565 -13.689 1.00 0.00 N ATOM 390 CA LYS A 28 1.187 -18.744 -12.866 1.00 0.00 C ATOM 391 C LYS A 28 0.713 -18.348 -11.471 1.00 0.00 C ATOM 392 O LYS A 28 -0.161 -18.995 -10.894 1.00 0.00 O ATOM 393 CB LYS A 28 2.462 -19.584 -12.763 1.00 0.00 C ATOM 394 CG LYS A 28 2.871 -20.232 -14.075 1.00 0.00 C ATOM 395 CD LYS A 28 1.825 -21.223 -14.556 1.00 0.00 C ATOM 396 CE LYS A 28 1.619 -22.347 -13.553 1.00 0.00 C ATOM 397 NZ LYS A 28 0.958 -23.530 -14.172 1.00 0.00 N ATOM 0 H LYS A 28 1.961 -16.831 -13.229 1.00 0.00 H new ATOM 0 HA LYS A 28 0.406 -19.337 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.277 -18.951 -12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.315 -20.362 -12.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.019 -19.462 -14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.826 -20.742 -13.948 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.881 -20.705 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.132 -21.641 -15.515 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.582 -22.645 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.013 -21.986 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.836 -24.274 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.028 -23.252 -14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.549 -23.891 -14.948 1.00 0.00 H new ATOM 411 N PHE A 29 1.295 -17.281 -10.934 1.00 0.00 N ATOM 412 CA PHE A 29 0.932 -16.798 -9.607 1.00 0.00 C ATOM 413 C PHE A 29 -0.283 -15.877 -9.677 1.00 0.00 C ATOM 414 O PHE A 29 -0.910 -15.579 -8.660 1.00 0.00 O ATOM 415 CB PHE A 29 2.110 -16.059 -8.970 1.00 0.00 C ATOM 416 CG PHE A 29 2.161 -14.599 -9.319 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.435 -14.192 -10.614 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.934 -13.633 -8.351 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.484 -12.849 -10.938 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.981 -12.289 -8.669 1.00 0.00 C ATOM 421 CZ PHE A 29 2.255 -11.896 -9.964 1.00 0.00 C ATOM 0 H PHE A 29 2.020 -16.734 -11.398 1.00 0.00 H new ATOM 0 HA PHE A 29 0.677 -17.660 -8.991 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.051 -16.164 -7.887 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.039 -16.533 -9.286 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.612 -14.933 -11.380 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.718 -13.934 -7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.701 -12.545 -11.951 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.804 -11.546 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.290 -10.846 -10.215 1.00 0.00 H new ATOM 431 N PHE A 30 -0.610 -15.429 -10.884 1.00 0.00 N ATOM 432 CA PHE A 30 -1.748 -14.541 -11.088 1.00 0.00 C ATOM 433 C PHE A 30 -3.014 -15.129 -10.471 1.00 0.00 C ATOM 434 O PHE A 30 -3.916 -14.397 -10.065 1.00 0.00 O ATOM 435 CB PHE A 30 -1.965 -14.290 -12.582 1.00 0.00 C ATOM 436 CG PHE A 30 -2.555 -15.465 -13.308 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.792 -16.593 -13.562 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.872 -15.442 -13.737 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.331 -17.677 -14.230 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.417 -16.522 -14.405 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.645 -17.640 -14.653 1.00 0.00 C ATOM 0 H PHE A 30 -0.103 -15.666 -11.736 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.530 -13.593 -10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.622 -13.429 -12.706 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.011 -14.031 -13.041 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.763 -16.626 -13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.480 -14.570 -13.547 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.726 -18.551 -14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.446 -16.492 -14.733 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.068 -18.484 -15.177 1.00 0.00 H new ATOM 451 N GLN A 31 -3.072 -16.455 -10.404 1.00 0.00 N ATOM 452 CA GLN A 31 -4.227 -17.141 -9.838 1.00 0.00 C ATOM 453 C GLN A 31 -4.039 -17.382 -8.344 1.00 0.00 C ATOM 454 O GLN A 31 -5.006 -17.403 -7.582 1.00 0.00 O ATOM 455 CB GLN A 31 -4.459 -18.472 -10.556 1.00 0.00 C ATOM 456 CG GLN A 31 -3.532 -19.584 -10.090 1.00 0.00 C ATOM 457 CD GLN A 31 -3.307 -20.640 -11.154 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.258 -21.202 -11.698 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.044 -20.915 -11.457 1.00 0.00 N ATOM 0 H GLN A 31 -2.333 -17.075 -10.735 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.100 -16.504 -9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.492 -18.783 -10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.327 -18.325 -11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.573 -19.155 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.952 -20.053 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.287 -20.425 -10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.831 -21.617 -12.166 1.00 0.00 H new ATOM 468 N ILE A 32 -2.788 -17.562 -7.932 1.00 0.00 N ATOM 469 CA ILE A 32 -2.474 -17.801 -6.528 1.00 0.00 C ATOM 470 C ILE A 32 -2.596 -16.518 -5.712 1.00 0.00 C ATOM 471 O ILE A 32 -3.379 -16.445 -4.765 1.00 0.00 O ATOM 472 CB ILE A 32 -1.053 -18.371 -6.359 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.920 -19.699 -7.107 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.728 -18.552 -4.884 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.443 -19.909 -7.727 1.00 0.00 C ATOM 0 H ILE A 32 -1.976 -17.547 -8.550 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.196 -18.531 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.340 -17.664 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.127 -20.517 -6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.677 -19.743 -7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.279 -18.955 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.787 -17.589 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.443 -19.242 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.465 -20.870 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.644 -19.111 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.204 -19.897 -6.946 1.00 0.00 H new ATOM 487 N SER A 33 -1.817 -15.508 -6.087 1.00 0.00 N ATOM 488 CA SER A 33 -1.836 -14.228 -5.389 1.00 0.00 C ATOM 489 C SER A 33 -3.232 -13.612 -5.423 1.00 0.00 C ATOM 490 O SER A 33 -3.707 -13.070 -4.426 1.00 0.00 O ATOM 491 CB SER A 33 -0.826 -13.266 -6.017 1.00 0.00 C ATOM 492 OG SER A 33 -1.478 -12.282 -6.801 1.00 0.00 O ATOM 0 H SER A 33 -1.165 -15.552 -6.870 1.00 0.00 H new ATOM 0 HA SER A 33 -1.561 -14.404 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.243 -12.783 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.125 -13.824 -6.638 1.00 0.00 H new ATOM 0 HG SER A 33 -0.894 -11.501 -6.897 1.00 0.00 H new ATOM 498 N GLY A 34 -3.883 -13.699 -6.579 1.00 0.00 N ATOM 499 CA GLY A 34 -5.217 -13.146 -6.722 1.00 0.00 C ATOM 500 C GLY A 34 -5.268 -12.008 -7.723 1.00 0.00 C ATOM 501 O GLY A 34 -6.091 -11.102 -7.600 1.00 0.00 O ATOM 0 H GLY A 34 -3.510 -14.142 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.902 -13.934 -7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.565 -12.789 -5.753 1.00 0.00 H new ATOM 505 N MET A 35 -4.386 -12.055 -8.715 1.00 0.00 N ATOM 506 CA MET A 35 -4.334 -11.020 -9.741 1.00 0.00 C ATOM 507 C MET A 35 -5.364 -11.286 -10.835 1.00 0.00 C ATOM 508 O MET A 35 -5.709 -10.391 -11.606 1.00 0.00 O ATOM 509 CB MET A 35 -2.933 -10.945 -10.351 1.00 0.00 C ATOM 510 CG MET A 35 -1.883 -10.401 -9.396 1.00 0.00 C ATOM 511 SD MET A 35 -0.532 -9.566 -10.251 1.00 0.00 S ATOM 512 CE MET A 35 -0.222 -10.712 -11.592 1.00 0.00 C ATOM 0 H MET A 35 -3.697 -12.799 -8.831 1.00 0.00 H new ATOM 0 HA MET A 35 -4.568 -10.065 -9.270 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.634 -11.941 -10.678 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.966 -10.315 -11.240 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.354 -9.705 -8.702 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.480 -11.220 -8.801 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.784 -10.555 -11.980 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.314 -11.734 -11.225 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.948 -10.545 -12.388 1.00 0.00 H new ATOM 522 N SER A 36 -5.851 -12.521 -10.895 1.00 0.00 N ATOM 523 CA SER A 36 -6.838 -12.905 -11.897 1.00 0.00 C ATOM 524 C SER A 36 -8.044 -11.971 -11.858 1.00 0.00 C ATOM 525 O SER A 36 -8.661 -11.692 -12.885 1.00 0.00 O ATOM 526 CB SER A 36 -7.289 -14.350 -11.671 1.00 0.00 C ATOM 527 OG SER A 36 -8.094 -14.456 -10.509 1.00 0.00 O ATOM 0 H SER A 36 -5.578 -13.273 -10.262 1.00 0.00 H new ATOM 0 HA SER A 36 -6.372 -12.827 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.849 -14.700 -12.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.416 -14.996 -11.573 1.00 0.00 H new ATOM 0 HG SER A 36 -8.371 -15.388 -10.387 1.00 0.00 H new ATOM 533 N LYS A 37 -8.374 -11.491 -10.664 1.00 0.00 N ATOM 534 CA LYS A 37 -9.504 -10.588 -10.487 1.00 0.00 C ATOM 535 C LYS A 37 -9.249 -9.255 -11.185 1.00 0.00 C ATOM 536 O LYS A 37 -10.185 -8.563 -11.586 1.00 0.00 O ATOM 537 CB LYS A 37 -9.769 -10.354 -8.999 1.00 0.00 C ATOM 538 CG LYS A 37 -9.830 -11.634 -8.183 1.00 0.00 C ATOM 539 CD LYS A 37 -10.414 -11.388 -6.802 1.00 0.00 C ATOM 540 CE LYS A 37 -9.376 -10.812 -5.852 1.00 0.00 C ATOM 541 NZ LYS A 37 -9.722 -11.074 -4.427 1.00 0.00 N ATOM 0 H LYS A 37 -7.874 -11.713 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.382 -11.052 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.985 -9.713 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.710 -9.816 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.435 -12.373 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.828 -12.053 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.258 -10.702 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.800 -12.324 -6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.401 -11.245 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.292 -9.737 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.990 -10.666 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.641 -10.640 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.777 -12.100 -4.266 1.00 0.00 H new ATOM 555 N LYS A 38 -7.977 -8.901 -11.327 1.00 0.00 N ATOM 556 CA LYS A 38 -7.597 -7.653 -11.979 1.00 0.00 C ATOM 557 C LYS A 38 -8.200 -7.564 -13.377 1.00 0.00 C ATOM 558 O LYS A 38 -8.923 -8.462 -13.810 1.00 0.00 O ATOM 559 CB LYS A 38 -6.073 -7.539 -12.061 1.00 0.00 C ATOM 560 CG LYS A 38 -5.386 -7.585 -10.707 1.00 0.00 C ATOM 561 CD LYS A 38 -5.995 -6.584 -9.739 1.00 0.00 C ATOM 562 CE LYS A 38 -6.830 -7.277 -8.673 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.358 -6.950 -7.299 1.00 0.00 N ATOM 0 H LYS A 38 -7.190 -9.461 -10.999 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.985 -6.828 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.689 -8.349 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.813 -6.605 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.466 -8.589 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.324 -7.374 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.202 -6.007 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.617 -5.878 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.873 -6.980 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.789 -8.356 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.931 -7.468 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.360 -7.226 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.453 -5.928 -7.133 1.00 0.00 H new ATOM 577 N SER A 39 -7.897 -6.477 -14.079 1.00 0.00 N ATOM 578 CA SER A 39 -8.411 -6.270 -15.428 1.00 0.00 C ATOM 579 C SER A 39 -7.672 -5.131 -16.123 1.00 0.00 C ATOM 580 O SER A 39 -8.278 -4.318 -16.821 1.00 0.00 O ATOM 581 CB SER A 39 -9.911 -5.969 -15.385 1.00 0.00 C ATOM 582 OG SER A 39 -10.533 -6.297 -16.615 1.00 0.00 O ATOM 0 H SER A 39 -7.298 -5.726 -13.736 1.00 0.00 H new ATOM 0 HA SER A 39 -8.247 -7.186 -15.996 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.375 -6.534 -14.577 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.067 -4.913 -15.165 1.00 0.00 H new ATOM 0 HG SER A 39 -11.491 -6.097 -16.561 1.00 0.00 H new ATOM 588 N SER A 40 -6.359 -5.078 -15.925 1.00 0.00 N ATOM 589 CA SER A 40 -5.536 -4.036 -16.528 1.00 0.00 C ATOM 590 C SER A 40 -5.949 -2.657 -16.023 1.00 0.00 C ATOM 591 O SER A 40 -5.631 -1.638 -16.636 1.00 0.00 O ATOM 592 CB SER A 40 -5.648 -4.088 -18.053 1.00 0.00 C ATOM 593 OG SER A 40 -5.298 -5.369 -18.547 1.00 0.00 O ATOM 0 H SER A 40 -5.842 -5.745 -15.352 1.00 0.00 H new ATOM 0 HA SER A 40 -4.500 -4.213 -16.240 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.667 -3.845 -18.354 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.996 -3.334 -18.494 1.00 0.00 H new ATOM 0 HG SER A 40 -5.333 -5.363 -19.526 1.00 0.00 H new ATOM 599 N SER A 41 -6.661 -2.634 -14.900 1.00 0.00 N ATOM 600 CA SER A 41 -7.121 -1.381 -14.314 1.00 0.00 C ATOM 601 C SER A 41 -6.535 -1.186 -12.919 1.00 0.00 C ATOM 602 O SER A 41 -6.711 -0.136 -12.302 1.00 0.00 O ATOM 603 CB SER A 41 -8.650 -1.357 -14.245 1.00 0.00 C ATOM 604 OG SER A 41 -9.106 -0.307 -13.409 1.00 0.00 O ATOM 0 H SER A 41 -6.931 -3.468 -14.379 1.00 0.00 H new ATOM 0 HA SER A 41 -6.780 -0.564 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.061 -1.233 -15.247 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.015 -2.312 -13.867 1.00 0.00 H new ATOM 0 HG SER A 41 -8.337 0.150 -13.009 1.00 0.00 H new ATOM 610 N GLN A 42 -5.838 -2.206 -12.429 1.00 0.00 N ATOM 611 CA GLN A 42 -5.226 -2.148 -11.107 1.00 0.00 C ATOM 612 C GLN A 42 -3.748 -2.519 -11.174 1.00 0.00 C ATOM 613 O GLN A 42 -2.984 -2.236 -10.250 1.00 0.00 O ATOM 614 CB GLN A 42 -5.956 -3.085 -10.142 1.00 0.00 C ATOM 615 CG GLN A 42 -7.450 -2.819 -10.051 1.00 0.00 C ATOM 616 CD GLN A 42 -8.278 -3.920 -10.685 1.00 0.00 C ATOM 617 OE1 GLN A 42 -7.815 -4.430 -11.820 1.00 0.00 O flip ATOM 618 NE2 GLN A 42 -9.322 -4.308 -10.160 1.00 0.00 N flip ATOM 0 H GLN A 42 -5.683 -3.082 -12.928 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.309 -1.125 -10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.797 -4.116 -10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.516 -2.986 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.733 -2.714 -9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.677 -1.871 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.641 -3.888 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.868 -5.050 -10.598 1.00 0.00 H new ATOM 627 N LEU A 43 -3.353 -3.154 -12.271 1.00 0.00 N ATOM 628 CA LEU A 43 -1.965 -3.565 -12.459 1.00 0.00 C ATOM 629 C LEU A 43 -1.020 -2.378 -12.301 1.00 0.00 C ATOM 630 O LEU A 43 0.047 -2.496 -11.698 1.00 0.00 O ATOM 631 CB LEU A 43 -1.783 -4.197 -13.840 1.00 0.00 C ATOM 632 CG LEU A 43 -2.833 -5.229 -14.251 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.423 -5.925 -15.539 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.046 -6.245 -13.138 1.00 0.00 C ATOM 0 H LEU A 43 -3.973 -3.396 -13.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.723 -4.303 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.776 -3.400 -14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.803 -4.673 -13.873 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.775 -4.710 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.183 -6.656 -15.815 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.322 -5.187 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.469 -6.431 -15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.797 -6.972 -13.448 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.107 -6.759 -12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.387 -5.733 -12.238 1.00 0.00 H new ATOM 646 N LYS A 44 -1.419 -1.234 -12.845 1.00 0.00 N ATOM 647 CA LYS A 44 -0.610 -0.023 -12.763 1.00 0.00 C ATOM 648 C LYS A 44 -0.887 0.728 -11.464 1.00 0.00 C ATOM 649 O LYS A 44 -0.373 1.825 -11.251 1.00 0.00 O ATOM 650 CB LYS A 44 -0.892 0.886 -13.961 1.00 0.00 C ATOM 651 CG LYS A 44 -2.048 1.846 -13.738 1.00 0.00 C ATOM 652 CD LYS A 44 -3.339 1.103 -13.438 1.00 0.00 C ATOM 653 CE LYS A 44 -3.822 0.314 -14.645 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.153 1.203 -15.793 1.00 0.00 N ATOM 0 H LYS A 44 -2.299 -1.119 -13.348 1.00 0.00 H new ATOM 0 HA LYS A 44 0.440 -0.315 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.006 1.459 -14.191 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.107 0.268 -14.833 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.812 2.516 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.182 2.468 -14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.183 0.426 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.108 1.814 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.052 -0.396 -14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.702 -0.267 -14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.737 0.682 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.678 2.032 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.275 1.516 -16.254 1.00 0.00 H new ATOM 668 N GLU A 45 -1.702 0.129 -10.601 1.00 0.00 N ATOM 669 CA GLU A 45 -2.046 0.744 -9.324 1.00 0.00 C ATOM 670 C GLU A 45 -0.979 0.449 -8.274 1.00 0.00 C ATOM 671 O GLU A 45 -0.745 1.251 -7.370 1.00 0.00 O ATOM 672 CB GLU A 45 -3.407 0.239 -8.840 1.00 0.00 C ATOM 673 CG GLU A 45 -4.002 1.073 -7.719 1.00 0.00 C ATOM 674 CD GLU A 45 -3.422 0.725 -6.362 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.869 -0.385 -6.219 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.521 1.564 -5.442 1.00 0.00 O ATOM 0 H GLU A 45 -2.136 -0.780 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.098 1.823 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.101 0.228 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.303 -0.791 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.827 2.129 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.082 0.927 -7.697 1.00 0.00 H new ATOM 683 N ILE A 46 -0.336 -0.707 -8.401 1.00 0.00 N ATOM 684 CA ILE A 46 0.706 -1.108 -7.464 1.00 0.00 C ATOM 685 C ILE A 46 2.074 -0.608 -7.916 1.00 0.00 C ATOM 686 O ILE A 46 2.939 -0.305 -7.093 1.00 0.00 O ATOM 687 CB ILE A 46 0.759 -2.639 -7.302 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.653 -3.206 -7.139 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.628 -3.016 -6.111 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.105 -4.048 -8.312 1.00 0.00 C ATOM 0 H ILE A 46 -0.518 -1.382 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 46 0.457 -0.658 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 46 1.201 -3.069 -8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.691 -3.810 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.353 -2.382 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.656 -4.101 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.639 -2.640 -6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.212 -2.577 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.114 -4.417 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.100 -3.442 -9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.427 -4.893 -8.436 1.00 0.00 H new ATOM 702 N PHE A 47 2.262 -0.522 -9.228 1.00 0.00 N ATOM 703 CA PHE A 47 3.525 -0.057 -9.790 1.00 0.00 C ATOM 704 C PHE A 47 4.705 -0.786 -9.154 1.00 0.00 C ATOM 705 O PHE A 47 5.776 -0.210 -8.966 1.00 0.00 O ATOM 706 CB PHE A 47 3.673 1.452 -9.587 1.00 0.00 C ATOM 707 CG PHE A 47 4.769 2.064 -10.412 1.00 0.00 C ATOM 708 CD1 PHE A 47 4.669 2.111 -11.793 1.00 0.00 C ATOM 709 CD2 PHE A 47 5.898 2.591 -9.807 1.00 0.00 C ATOM 710 CE1 PHE A 47 5.677 2.672 -12.556 1.00 0.00 C ATOM 711 CE2 PHE A 47 6.909 3.154 -10.564 1.00 0.00 C ATOM 712 CZ PHE A 47 6.797 3.196 -11.940 1.00 0.00 C ATOM 0 H PHE A 47 1.556 -0.768 -9.922 1.00 0.00 H new ATOM 0 HA PHE A 47 3.520 -0.274 -10.858 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.729 1.938 -9.834 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.868 1.651 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.794 1.705 -12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.990 2.562 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.589 2.700 -13.632 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.785 3.560 -10.080 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.584 3.638 -12.533 1.00 0.00 H new ATOM 722 N ARG A 48 4.499 -2.057 -8.825 1.00 0.00 N ATOM 723 CA ARG A 48 5.544 -2.866 -8.209 1.00 0.00 C ATOM 724 C ARG A 48 5.389 -4.335 -8.588 1.00 0.00 C ATOM 725 O ARG A 48 5.933 -5.218 -7.924 1.00 0.00 O ATOM 726 CB ARG A 48 5.505 -2.714 -6.687 1.00 0.00 C ATOM 727 CG ARG A 48 5.854 -1.315 -6.205 1.00 0.00 C ATOM 728 CD ARG A 48 5.605 -1.161 -4.713 1.00 0.00 C ATOM 729 NE ARG A 48 4.406 -0.376 -4.436 1.00 0.00 N ATOM 730 CZ ARG A 48 4.361 0.950 -4.513 1.00 0.00 C ATOM 731 NH1 ARG A 48 5.443 1.634 -4.858 1.00 0.00 N ATOM 732 NH2 ARG A 48 3.232 1.593 -4.246 1.00 0.00 N ATOM 0 H ARG A 48 3.618 -2.549 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 48 6.507 -2.513 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.509 -2.974 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.199 -3.426 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.901 -1.104 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.260 -0.582 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.506 -2.147 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.467 -0.682 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 48 3.556 -0.872 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.313 1.143 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.406 2.652 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.397 1.070 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.198 2.611 -4.305 1.00 0.00 H new ATOM 746 N ILE A 49 4.644 -4.590 -9.658 1.00 0.00 N ATOM 747 CA ILE A 49 4.419 -5.952 -10.126 1.00 0.00 C ATOM 748 C ILE A 49 4.876 -6.120 -11.571 1.00 0.00 C ATOM 749 O ILE A 49 5.243 -7.217 -11.994 1.00 0.00 O ATOM 750 CB ILE A 49 2.934 -6.345 -10.019 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.099 -5.544 -11.020 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.428 -6.124 -8.601 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.626 -5.888 -10.990 1.00 0.00 C ATOM 0 H ILE A 49 4.186 -3.871 -10.218 1.00 0.00 H new ATOM 0 HA ILE A 49 5.007 -6.608 -9.484 1.00 0.00 H new ATOM 0 HB ILE A 49 2.835 -7.404 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.220 -4.481 -10.813 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.484 -5.719 -12.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.377 -6.406 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.007 -6.735 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.537 -5.072 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.096 -5.282 -11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.494 -6.944 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.225 -5.686 -9.997 1.00 0.00 H new ATOM 765 N LEU A 50 4.852 -5.026 -12.324 1.00 0.00 N ATOM 766 CA LEU A 50 5.265 -5.051 -13.723 1.00 0.00 C ATOM 767 C LEU A 50 6.737 -4.676 -13.862 1.00 0.00 C ATOM 768 O LEU A 50 7.568 -5.508 -14.227 1.00 0.00 O ATOM 769 CB LEU A 50 4.403 -4.093 -14.547 1.00 0.00 C ATOM 770 CG LEU A 50 2.917 -4.048 -14.187 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.296 -2.739 -14.646 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.185 -5.233 -14.800 1.00 0.00 C ATOM 0 H LEU A 50 4.551 -4.111 -11.990 1.00 0.00 H new ATOM 0 HA LEU A 50 5.130 -6.065 -14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.812 -3.088 -14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.494 -4.367 -15.598 1.00 0.00 H new ATOM 0 HG LEU A 50 2.823 -4.109 -13.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.239 -2.725 -14.381 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.803 -1.906 -14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.401 -2.646 -15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.129 -5.186 -14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.288 -5.203 -15.885 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.613 -6.161 -14.421 1.00 0.00 H new ATOM 784 N ASP A 51 7.053 -3.420 -13.567 1.00 0.00 N ATOM 785 CA ASP A 51 8.426 -2.936 -13.656 1.00 0.00 C ATOM 786 C ASP A 51 8.536 -1.514 -13.115 1.00 0.00 C ATOM 787 O ASP A 51 7.531 -0.831 -12.925 1.00 0.00 O ATOM 788 CB ASP A 51 8.912 -2.982 -15.105 1.00 0.00 C ATOM 789 CG ASP A 51 10.407 -2.757 -15.221 1.00 0.00 C ATOM 790 OD1 ASP A 51 11.126 -3.033 -14.239 1.00 0.00 O ATOM 791 OD2 ASP A 51 10.857 -2.304 -16.295 1.00 0.00 O ATOM 0 H ASP A 51 6.377 -2.718 -13.264 1.00 0.00 H new ATOM 0 HA ASP A 51 9.055 -3.587 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.658 -3.949 -15.540 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.387 -2.223 -15.686 1.00 0.00 H new ATOM 796 N ASN A 52 9.766 -1.074 -12.867 1.00 0.00 N ATOM 797 CA ASN A 52 10.008 0.266 -12.346 1.00 0.00 C ATOM 798 C ASN A 52 10.426 1.217 -13.463 1.00 0.00 C ATOM 799 O ASN A 52 10.628 2.410 -13.234 1.00 0.00 O ATOM 800 CB ASN A 52 11.089 0.227 -11.263 1.00 0.00 C ATOM 801 CG ASN A 52 11.322 1.585 -10.630 1.00 0.00 C ATOM 802 OD1 ASN A 52 10.376 2.291 -10.282 1.00 0.00 O ATOM 803 ND2 ASN A 52 12.588 1.957 -10.478 1.00 0.00 N ATOM 0 H ASN A 52 10.610 -1.626 -13.019 1.00 0.00 H new ATOM 0 HA ASN A 52 9.079 0.633 -11.910 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.800 -0.486 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.022 -0.133 -11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.807 2.860 -10.058 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.341 1.339 -10.781 1.00 0.00 H new ATOM 810 N ASP A 53 10.552 0.681 -14.672 1.00 0.00 N ATOM 811 CA ASP A 53 10.943 1.482 -15.826 1.00 0.00 C ATOM 812 C ASP A 53 9.754 1.718 -16.753 1.00 0.00 C ATOM 813 O ASP A 53 9.923 1.917 -17.955 1.00 0.00 O ATOM 814 CB ASP A 53 12.074 0.794 -16.592 1.00 0.00 C ATOM 815 CG ASP A 53 13.440 1.110 -16.015 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.796 2.305 -15.953 1.00 0.00 O ATOM 817 OD2 ASP A 53 14.152 0.162 -15.625 1.00 0.00 O ATOM 0 H ASP A 53 10.389 -0.305 -14.878 1.00 0.00 H new ATOM 0 HA ASP A 53 11.295 2.448 -15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.917 -0.284 -16.576 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.043 1.105 -17.636 1.00 0.00 H new ATOM 822 N GLN A 54 8.553 1.692 -16.184 1.00 0.00 N ATOM 823 CA GLN A 54 7.336 1.901 -16.960 1.00 0.00 C ATOM 824 C GLN A 54 7.419 3.194 -17.764 1.00 0.00 C ATOM 825 O GLN A 54 6.734 3.352 -18.775 1.00 0.00 O ATOM 826 CB GLN A 54 6.117 1.937 -16.037 1.00 0.00 C ATOM 827 CG GLN A 54 4.880 1.288 -16.636 1.00 0.00 C ATOM 828 CD GLN A 54 4.658 -0.123 -16.130 1.00 0.00 C ATOM 829 OE1 GLN A 54 4.691 -0.292 -14.813 1.00 0.00 O flip ATOM 830 NE2 GLN A 54 4.460 -1.052 -16.914 1.00 0.00 N flip ATOM 0 H GLN A 54 8.397 1.528 -15.189 1.00 0.00 H new ATOM 0 HA GLN A 54 7.231 1.068 -17.656 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.365 1.434 -15.102 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.889 2.974 -15.790 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.006 1.896 -16.401 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.974 1.270 -17.722 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.443 -0.877 -17.919 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.313 -1.997 -16.559 1.00 0.00 H new ATOM 839 N SER A 55 8.261 4.116 -17.309 1.00 0.00 N ATOM 840 CA SER A 55 8.430 5.397 -17.984 1.00 0.00 C ATOM 841 C SER A 55 8.921 5.197 -19.414 1.00 0.00 C ATOM 842 O SER A 55 8.794 6.086 -20.256 1.00 0.00 O ATOM 843 CB SER A 55 9.415 6.278 -17.213 1.00 0.00 C ATOM 844 OG SER A 55 9.849 7.371 -18.003 1.00 0.00 O ATOM 0 H SER A 55 8.837 4.000 -16.475 1.00 0.00 H new ATOM 0 HA SER A 55 7.460 5.893 -18.017 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.942 6.648 -16.304 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.275 5.684 -16.905 1.00 0.00 H new ATOM 0 HG SER A 55 10.476 7.919 -17.487 1.00 0.00 H new ATOM 850 N GLY A 56 9.483 4.022 -19.682 1.00 0.00 N ATOM 851 CA GLY A 56 9.985 3.725 -21.010 1.00 0.00 C ATOM 852 C GLY A 56 9.658 2.313 -21.452 1.00 0.00 C ATOM 853 O GLY A 56 8.964 2.111 -22.449 1.00 0.00 O ATOM 0 H GLY A 56 9.599 3.270 -19.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.560 4.433 -21.722 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.066 3.866 -21.026 1.00 0.00 H new ATOM 857 N PHE A 57 10.159 1.331 -20.709 1.00 0.00 N ATOM 858 CA PHE A 57 9.918 -0.071 -21.031 1.00 0.00 C ATOM 859 C PHE A 57 10.553 -0.985 -19.987 1.00 0.00 C ATOM 860 O PHE A 57 10.991 -0.529 -18.931 1.00 0.00 O ATOM 861 CB PHE A 57 10.472 -0.400 -22.419 1.00 0.00 C ATOM 862 CG PHE A 57 11.960 -0.221 -22.528 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.516 1.046 -22.587 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.801 -1.321 -22.573 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.884 1.214 -22.687 1.00 0.00 C ATOM 866 CE2 PHE A 57 14.170 -1.159 -22.672 1.00 0.00 C ATOM 867 CZ PHE A 57 14.712 0.110 -22.731 1.00 0.00 C ATOM 0 H PHE A 57 10.734 1.480 -19.880 1.00 0.00 H new ATOM 0 HA PHE A 57 8.841 -0.239 -21.029 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.219 -1.431 -22.668 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.982 0.236 -23.157 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.873 1.913 -22.554 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.382 -2.316 -22.530 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.305 2.208 -22.731 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.816 -2.024 -22.703 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.781 0.238 -22.811 1.00 0.00 H new ATOM 877 N ILE A 58 10.598 -2.278 -20.291 1.00 0.00 N ATOM 878 CA ILE A 58 11.179 -3.256 -19.381 1.00 0.00 C ATOM 879 C ILE A 58 12.231 -4.106 -20.085 1.00 0.00 C ATOM 880 O ILE A 58 12.210 -4.248 -21.307 1.00 0.00 O ATOM 881 CB ILE A 58 10.101 -4.182 -18.786 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.845 -3.381 -18.439 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.637 -4.898 -17.555 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.708 -4.234 -17.921 1.00 0.00 C ATOM 0 H ILE A 58 10.239 -2.672 -21.161 1.00 0.00 H new ATOM 0 HA ILE A 58 11.650 -2.695 -18.574 1.00 0.00 H new ATOM 0 HB ILE A 58 9.836 -4.932 -19.531 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.097 -2.632 -17.689 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.510 -2.843 -19.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.863 -5.548 -17.147 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.505 -5.496 -17.831 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.927 -4.163 -16.804 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.851 -3.600 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.428 -4.966 -18.678 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.025 -4.751 -17.015 1.00 0.00 H new ATOM 896 N GLU A 59 13.147 -4.671 -19.305 1.00 0.00 N ATOM 897 CA GLU A 59 14.207 -5.508 -19.855 1.00 0.00 C ATOM 898 C GLU A 59 14.479 -6.706 -18.951 1.00 0.00 C ATOM 899 O GLU A 59 13.983 -6.772 -17.826 1.00 0.00 O ATOM 900 CB GLU A 59 15.489 -4.692 -20.039 1.00 0.00 C ATOM 901 CG GLU A 59 16.327 -5.135 -21.226 1.00 0.00 C ATOM 902 CD GLU A 59 15.532 -5.181 -22.517 1.00 0.00 C ATOM 903 OE1 GLU A 59 14.946 -6.242 -22.816 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.497 -4.155 -23.228 1.00 0.00 O ATOM 0 H GLU A 59 13.177 -4.565 -18.291 1.00 0.00 H new ATOM 0 HA GLU A 59 13.877 -5.876 -20.826 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.226 -3.641 -20.162 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.090 -4.766 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.169 -4.453 -21.346 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.743 -6.122 -21.024 1.00 0.00 H new ATOM 911 N GLU A 60 15.268 -7.651 -19.451 1.00 0.00 N ATOM 912 CA GLU A 60 15.604 -8.848 -18.689 1.00 0.00 C ATOM 913 C GLU A 60 16.295 -8.482 -17.378 1.00 0.00 C ATOM 914 O GLU A 60 16.284 -9.255 -16.421 1.00 0.00 O ATOM 915 CB GLU A 60 16.506 -9.769 -19.513 1.00 0.00 C ATOM 916 CG GLU A 60 17.783 -9.099 -19.993 1.00 0.00 C ATOM 917 CD GLU A 60 18.541 -9.943 -21.000 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.879 -11.099 -20.669 1.00 0.00 O ATOM 919 OE2 GLU A 60 18.796 -9.447 -22.117 1.00 0.00 O ATOM 0 H GLU A 60 15.687 -7.611 -20.380 1.00 0.00 H new ATOM 0 HA GLU A 60 14.677 -9.372 -18.458 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.766 -10.641 -18.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.949 -10.132 -20.377 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.537 -8.137 -20.442 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.426 -8.896 -19.137 1.00 0.00 H new ATOM 926 N ASP A 61 16.896 -7.297 -17.344 1.00 0.00 N ATOM 927 CA ASP A 61 17.592 -6.827 -16.152 1.00 0.00 C ATOM 928 C ASP A 61 16.599 -6.438 -15.061 1.00 0.00 C ATOM 929 O ASP A 61 16.986 -6.168 -13.925 1.00 0.00 O ATOM 930 CB ASP A 61 18.486 -5.635 -16.494 1.00 0.00 C ATOM 931 CG ASP A 61 19.749 -5.598 -15.655 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.708 -6.322 -15.995 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.777 -4.845 -14.660 1.00 0.00 O ATOM 0 H ASP A 61 16.915 -6.645 -18.128 1.00 0.00 H new ATOM 0 HA ASP A 61 18.213 -7.641 -15.779 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.756 -5.678 -17.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.927 -4.711 -16.345 1.00 0.00 H new ATOM 938 N GLU A 62 15.318 -6.409 -15.417 1.00 0.00 N ATOM 939 CA GLU A 62 14.271 -6.050 -14.468 1.00 0.00 C ATOM 940 C GLU A 62 13.371 -7.247 -14.173 1.00 0.00 C ATOM 941 O GLU A 62 12.269 -7.094 -13.643 1.00 0.00 O ATOM 942 CB GLU A 62 13.434 -4.891 -15.013 1.00 0.00 C ATOM 943 CG GLU A 62 14.114 -3.538 -14.887 1.00 0.00 C ATOM 944 CD GLU A 62 14.799 -3.108 -16.169 1.00 0.00 C ATOM 945 OE1 GLU A 62 14.154 -3.168 -17.237 1.00 0.00 O ATOM 946 OE2 GLU A 62 15.981 -2.710 -16.105 1.00 0.00 O ATOM 0 H GLU A 62 14.981 -6.629 -16.354 1.00 0.00 H new ATOM 0 HA GLU A 62 14.749 -5.739 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.209 -5.079 -16.063 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.482 -4.861 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.374 -2.789 -14.606 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.849 -3.578 -14.083 1.00 0.00 H new ATOM 953 N LEU A 63 13.847 -8.437 -14.519 1.00 0.00 N ATOM 954 CA LEU A 63 13.086 -9.661 -14.293 1.00 0.00 C ATOM 955 C LEU A 63 13.770 -10.542 -13.251 1.00 0.00 C ATOM 956 O LEU A 63 13.137 -11.402 -12.637 1.00 0.00 O ATOM 957 CB LEU A 63 12.923 -10.434 -15.603 1.00 0.00 C ATOM 958 CG LEU A 63 12.596 -9.596 -16.839 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.448 -10.487 -18.063 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.331 -8.782 -16.613 1.00 0.00 C ATOM 0 H LEU A 63 14.757 -8.581 -14.957 1.00 0.00 H new ATOM 0 HA LEU A 63 12.101 -9.383 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.845 -10.984 -15.795 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.133 -11.173 -15.470 1.00 0.00 H new ATOM 0 HG LEU A 63 13.421 -8.905 -17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.215 -9.874 -18.934 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.380 -11.025 -18.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.642 -11.202 -17.897 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.114 -8.192 -17.503 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.497 -9.454 -16.411 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.474 -8.116 -15.762 1.00 0.00 H new ATOM 972 N LYS A 64 15.065 -10.321 -13.056 1.00 0.00 N ATOM 973 CA LYS A 64 15.835 -11.092 -12.086 1.00 0.00 C ATOM 974 C LYS A 64 15.682 -10.511 -10.684 1.00 0.00 C ATOM 975 O LYS A 64 16.317 -10.974 -9.737 1.00 0.00 O ATOM 976 CB LYS A 64 17.314 -11.115 -12.481 1.00 0.00 C ATOM 977 CG LYS A 64 17.547 -11.449 -13.944 1.00 0.00 C ATOM 978 CD LYS A 64 19.028 -11.449 -14.286 1.00 0.00 C ATOM 979 CE LYS A 64 19.252 -11.509 -15.790 1.00 0.00 C ATOM 980 NZ LYS A 64 20.554 -10.901 -16.180 1.00 0.00 N ATOM 0 H LYS A 64 15.604 -9.614 -13.556 1.00 0.00 H new ATOM 0 HA LYS A 64 15.450 -12.112 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.755 -10.142 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.835 -11.846 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.121 -12.427 -14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.028 -10.724 -14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.496 -10.551 -13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.513 -12.302 -13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.222 -12.547 -16.121 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.441 -10.989 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.670 -10.961 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.573 -9.903 -15.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.330 -11.413 -15.714 1.00 0.00 H new ATOM 994 N TYR A 65 14.833 -9.496 -10.559 1.00 0.00 N ATOM 995 CA TYR A 65 14.597 -8.852 -9.272 1.00 0.00 C ATOM 996 C TYR A 65 13.103 -8.681 -9.015 1.00 0.00 C ATOM 997 O TYR A 65 12.632 -7.578 -8.735 1.00 0.00 O ATOM 998 CB TYR A 65 15.294 -7.491 -9.225 1.00 0.00 C ATOM 999 CG TYR A 65 16.795 -7.573 -9.383 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.371 -7.800 -10.627 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.638 -7.423 -8.289 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.742 -7.876 -10.776 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.010 -7.497 -8.429 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.557 -7.724 -9.674 1.00 0.00 C ATOM 1005 OH TYR A 65 20.924 -7.798 -9.819 1.00 0.00 O ATOM 0 H TYR A 65 14.297 -9.102 -11.333 1.00 0.00 H new ATOM 0 HA TYR A 65 15.010 -9.491 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.888 -6.857 -10.014 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.063 -7.007 -8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.736 -7.919 -11.492 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.213 -7.245 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.173 -8.053 -11.750 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.651 -7.378 -7.568 1.00 0.00 H new ATOM 0 HH TYR A 65 21.353 -7.669 -8.947 1.00 0.00 H new ATOM 1015 N PHE A 66 12.363 -9.780 -9.112 1.00 0.00 N ATOM 1016 CA PHE A 66 10.922 -9.753 -8.890 1.00 0.00 C ATOM 1017 C PHE A 66 10.582 -10.189 -7.468 1.00 0.00 C ATOM 1018 O PHE A 66 9.962 -9.443 -6.709 1.00 0.00 O ATOM 1019 CB PHE A 66 10.213 -10.661 -9.897 1.00 0.00 C ATOM 1020 CG PHE A 66 8.721 -10.696 -9.726 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.136 -11.546 -8.801 1.00 0.00 C ATOM 1022 CD2 PHE A 66 7.904 -9.878 -10.490 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.763 -11.580 -8.643 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.530 -9.908 -10.335 1.00 0.00 C ATOM 1025 CZ PHE A 66 5.960 -10.759 -9.410 1.00 0.00 C ATOM 0 H PHE A 66 12.737 -10.700 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 66 10.577 -8.728 -9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.447 -10.323 -10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.606 -11.673 -9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.759 -12.189 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.345 -9.210 -11.215 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.319 -12.248 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.904 -9.266 -10.937 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.887 -10.783 -9.286 1.00 0.00 H new ATOM 1035 N LEU A 67 10.992 -11.402 -7.113 1.00 0.00 N ATOM 1036 CA LEU A 67 10.732 -11.939 -5.782 1.00 0.00 C ATOM 1037 C LEU A 67 11.203 -10.971 -4.702 1.00 0.00 C ATOM 1038 O LEU A 67 10.661 -10.948 -3.597 1.00 0.00 O ATOM 1039 CB LEU A 67 11.429 -13.290 -5.611 1.00 0.00 C ATOM 1040 CG LEU A 67 11.197 -14.311 -6.725 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.806 -15.654 -6.354 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.710 -14.459 -7.013 1.00 0.00 C ATOM 0 H LEU A 67 11.506 -12.032 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 67 9.656 -12.076 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.501 -13.115 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.100 -13.729 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 67 11.687 -13.950 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.631 -16.368 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.879 -15.537 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.346 -16.021 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.564 -15.190 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.197 -14.796 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.302 -13.497 -7.325 1.00 0.00 H new ATOM 1054 N GLN A 68 12.212 -10.171 -5.031 1.00 0.00 N ATOM 1055 CA GLN A 68 12.754 -9.199 -4.089 1.00 0.00 C ATOM 1056 C GLN A 68 11.667 -8.245 -3.605 1.00 0.00 C ATOM 1057 O GLN A 68 11.560 -7.965 -2.411 1.00 0.00 O ATOM 1058 CB GLN A 68 13.891 -8.407 -4.738 1.00 0.00 C ATOM 1059 CG GLN A 68 15.090 -8.206 -3.826 1.00 0.00 C ATOM 1060 CD GLN A 68 16.398 -8.129 -4.589 1.00 0.00 C ATOM 1061 OE1 GLN A 68 16.720 -9.190 -5.321 1.00 0.00 O flip ATOM 1062 NE2 GLN A 68 17.111 -7.128 -4.522 1.00 0.00 N flip ATOM 0 H GLN A 68 12.670 -10.177 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 68 13.144 -9.743 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.214 -8.925 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.513 -7.433 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.955 -7.290 -3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.139 -9.027 -3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.825 -6.335 -3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.988 -7.091 -5.041 1.00 0.00 H new ATOM 1071 N ARG A 69 10.862 -7.750 -4.539 1.00 0.00 N ATOM 1072 CA ARG A 69 9.783 -6.826 -4.208 1.00 0.00 C ATOM 1073 C ARG A 69 8.940 -7.366 -3.056 1.00 0.00 C ATOM 1074 O ARG A 69 9.058 -6.909 -1.919 1.00 0.00 O ATOM 1075 CB ARG A 69 8.898 -6.581 -5.431 1.00 0.00 C ATOM 1076 CG ARG A 69 9.568 -5.746 -6.510 1.00 0.00 C ATOM 1077 CD ARG A 69 10.001 -4.390 -5.975 1.00 0.00 C ATOM 1078 NE ARG A 69 8.981 -3.786 -5.123 1.00 0.00 N ATOM 1079 CZ ARG A 69 9.235 -2.829 -4.236 1.00 0.00 C ATOM 1080 NH1 ARG A 69 10.470 -2.371 -4.087 1.00 0.00 N ATOM 1081 NH2 ARG A 69 8.253 -2.330 -3.497 1.00 0.00 N ATOM 0 H ARG A 69 10.936 -7.973 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 69 10.230 -5.881 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.606 -7.541 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.983 -6.082 -5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.436 -6.279 -6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.880 -5.607 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.926 -4.502 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.217 -3.723 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 69 8.020 -4.117 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.227 -2.753 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.663 -1.637 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.302 -2.681 -3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.449 -1.596 -2.817 1.00 0.00 H new ATOM 1095 N PHE A 70 8.090 -8.341 -3.359 1.00 0.00 N ATOM 1096 CA PHE A 70 7.225 -8.942 -2.350 1.00 0.00 C ATOM 1097 C PHE A 70 8.050 -9.645 -1.276 1.00 0.00 C ATOM 1098 O PHE A 70 8.046 -9.243 -0.113 1.00 0.00 O ATOM 1099 CB PHE A 70 6.261 -9.937 -3.001 1.00 0.00 C ATOM 1100 CG PHE A 70 5.285 -9.295 -3.945 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.358 -8.375 -3.484 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.295 -9.613 -5.294 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.459 -7.782 -4.351 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.399 -9.023 -6.165 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.479 -8.107 -5.693 1.00 0.00 C ATOM 0 H PHE A 70 7.981 -8.732 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 70 6.650 -8.145 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.837 -10.688 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.709 -10.460 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.337 -8.118 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.011 -10.330 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.742 -7.065 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.418 -9.278 -7.214 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.777 -7.646 -6.372 1.00 0.00 H new ATOM 1115 N GLU A 71 8.757 -10.698 -1.676 1.00 0.00 N ATOM 1116 CA GLU A 71 9.585 -11.458 -0.747 1.00 0.00 C ATOM 1117 C GLU A 71 10.815 -10.655 -0.332 1.00 0.00 C ATOM 1118 O GLU A 71 11.596 -10.216 -1.176 1.00 0.00 O ATOM 1119 CB GLU A 71 10.018 -12.782 -1.381 1.00 0.00 C ATOM 1120 CG GLU A 71 10.384 -13.852 -0.366 1.00 0.00 C ATOM 1121 CD GLU A 71 9.167 -14.473 0.292 1.00 0.00 C ATOM 1122 OE1 GLU A 71 8.437 -13.745 0.997 1.00 0.00 O ATOM 1123 OE2 GLU A 71 8.945 -15.687 0.102 1.00 0.00 O ATOM 0 H GLU A 71 8.773 -11.043 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 71 8.991 -11.666 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.211 -13.153 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.874 -12.601 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.963 -14.632 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.024 -13.416 0.401 1.00 0.00 H new ATOM 1130 N SER A 72 10.978 -10.466 0.973 1.00 0.00 N ATOM 1131 CA SER A 72 12.109 -9.712 1.501 1.00 0.00 C ATOM 1132 C SER A 72 13.277 -10.639 1.824 1.00 0.00 C ATOM 1133 O SER A 72 14.180 -10.279 2.578 1.00 0.00 O ATOM 1134 CB SER A 72 11.694 -8.940 2.755 1.00 0.00 C ATOM 1135 OG SER A 72 11.103 -7.697 2.417 1.00 0.00 O ATOM 0 H SER A 72 10.341 -10.825 1.685 1.00 0.00 H new ATOM 0 HA SER A 72 12.430 -9.004 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.989 -9.535 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.566 -8.772 3.387 1.00 0.00 H new ATOM 0 HG SER A 72 10.845 -7.224 3.236 1.00 0.00 H new ATOM 1141 N GLY A 73 13.251 -11.836 1.246 1.00 0.00 N ATOM 1142 CA GLY A 73 14.312 -12.797 1.484 1.00 0.00 C ATOM 1143 C GLY A 73 14.845 -13.402 0.200 1.00 0.00 C ATOM 1144 O GLY A 73 15.669 -14.315 0.232 1.00 0.00 O ATOM 0 H GLY A 73 12.515 -12.157 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.127 -12.309 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.940 -13.592 2.130 1.00 0.00 H new ATOM 1148 N ALA A 74 14.374 -12.891 -0.933 1.00 0.00 N ATOM 1149 CA ALA A 74 14.809 -13.386 -2.233 1.00 0.00 C ATOM 1150 C ALA A 74 16.170 -12.811 -2.612 1.00 0.00 C ATOM 1151 O ALA A 74 16.707 -11.952 -1.913 1.00 0.00 O ATOM 1152 CB ALA A 74 13.776 -13.050 -3.298 1.00 0.00 C ATOM 0 H ALA A 74 13.691 -12.135 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 74 14.908 -14.470 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.114 -13.426 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.824 -13.514 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.649 -11.969 -3.353 1.00 0.00 H new ATOM 1158 N ARG A 75 16.721 -13.290 -3.722 1.00 0.00 N ATOM 1159 CA ARG A 75 18.020 -12.825 -4.193 1.00 0.00 C ATOM 1160 C ARG A 75 18.002 -12.597 -5.701 1.00 0.00 C ATOM 1161 O ARG A 75 18.006 -11.457 -6.168 1.00 0.00 O ATOM 1162 CB ARG A 75 19.109 -13.836 -3.832 1.00 0.00 C ATOM 1163 CG ARG A 75 18.591 -15.255 -3.660 1.00 0.00 C ATOM 1164 CD ARG A 75 19.654 -16.283 -4.012 1.00 0.00 C ATOM 1165 NE ARG A 75 19.546 -17.485 -3.190 1.00 0.00 N ATOM 1166 CZ ARG A 75 18.670 -18.456 -3.420 1.00 0.00 C ATOM 1167 NH1 ARG A 75 17.829 -18.368 -4.441 1.00 0.00 N ATOM 1168 NH2 ARG A 75 18.633 -19.520 -2.627 1.00 0.00 N ATOM 0 H ARG A 75 16.288 -14.000 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 75 18.238 -11.876 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.872 -13.829 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.594 -13.521 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.268 -15.403 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.716 -15.403 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.562 -16.554 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.642 -15.842 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 75 20.178 -17.584 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.853 -17.552 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.157 -19.116 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.278 -19.592 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.960 -20.265 -2.805 1.00 0.00 H new ATOM 1182 N VAL A 76 17.983 -13.688 -6.459 1.00 0.00 N ATOM 1183 CA VAL A 76 17.964 -13.608 -7.915 1.00 0.00 C ATOM 1184 C VAL A 76 17.124 -14.729 -8.516 1.00 0.00 C ATOM 1185 O VAL A 76 16.864 -15.742 -7.866 1.00 0.00 O ATOM 1186 CB VAL A 76 19.387 -13.678 -8.500 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.398 -13.187 -9.939 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.354 -12.873 -7.645 1.00 0.00 C ATOM 0 H VAL A 76 17.980 -14.639 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 76 17.520 -12.647 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 76 19.713 -14.718 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.412 -13.244 -10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.738 -13.811 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.052 -12.154 -9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.355 -12.933 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.034 -11.831 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.367 -13.277 -6.633 1.00 0.00 H new ATOM 1198 N LEU A 77 16.701 -14.541 -9.762 1.00 0.00 N ATOM 1199 CA LEU A 77 15.890 -15.537 -10.453 1.00 0.00 C ATOM 1200 C LEU A 77 16.716 -16.287 -11.493 1.00 0.00 C ATOM 1201 O LEU A 77 17.921 -16.065 -11.623 1.00 0.00 O ATOM 1202 CB LEU A 77 14.689 -14.869 -11.124 1.00 0.00 C ATOM 1203 CG LEU A 77 13.513 -14.526 -10.209 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.213 -13.036 -10.260 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.282 -15.333 -10.596 1.00 0.00 C ATOM 0 H LEU A 77 16.906 -13.708 -10.314 1.00 0.00 H new ATOM 0 HA LEU A 77 15.533 -16.254 -9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.030 -13.951 -11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.328 -15.526 -11.915 1.00 0.00 H new ATOM 0 HG LEU A 77 13.786 -14.786 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.373 -12.811 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.090 -12.477 -9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.961 -12.750 -11.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.455 -15.076 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.007 -15.105 -11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.501 -16.397 -10.506 1.00 0.00 H new ATOM 1217 N THR A 78 16.061 -17.174 -12.235 1.00 0.00 N ATOM 1218 CA THR A 78 16.734 -17.955 -13.265 1.00 0.00 C ATOM 1219 C THR A 78 16.394 -17.438 -14.658 1.00 0.00 C ATOM 1220 O THR A 78 15.426 -16.699 -14.837 1.00 0.00 O ATOM 1221 CB THR A 78 16.356 -19.446 -13.176 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.002 -19.634 -13.604 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.521 -19.963 -11.755 1.00 0.00 C ATOM 0 H THR A 78 15.064 -17.370 -12.142 1.00 0.00 H new ATOM 0 HA THR A 78 17.805 -17.848 -13.093 1.00 0.00 H new ATOM 0 HB THR A 78 17.024 -20.007 -13.829 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.395 -19.206 -12.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 16.248 -21.018 -11.718 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.559 -19.845 -11.443 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.874 -19.397 -11.084 1.00 0.00 H new ATOM 1231 N ALA A 79 17.196 -17.831 -15.642 1.00 0.00 N ATOM 1232 CA ALA A 79 16.977 -17.409 -17.020 1.00 0.00 C ATOM 1233 C ALA A 79 15.649 -17.938 -17.552 1.00 0.00 C ATOM 1234 O ALA A 79 15.145 -17.464 -18.570 1.00 0.00 O ATOM 1235 CB ALA A 79 18.125 -17.876 -17.903 1.00 0.00 C ATOM 0 H ALA A 79 18.003 -18.441 -15.511 1.00 0.00 H new ATOM 0 HA ALA A 79 16.938 -16.320 -17.039 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.949 -17.554 -18.929 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.059 -17.445 -17.543 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.190 -18.964 -17.870 1.00 0.00 H new ATOM 1241 N SER A 80 15.089 -18.923 -16.858 1.00 0.00 N ATOM 1242 CA SER A 80 13.821 -19.519 -17.263 1.00 0.00 C ATOM 1243 C SER A 80 12.648 -18.641 -16.840 1.00 0.00 C ATOM 1244 O SER A 80 11.785 -18.307 -17.651 1.00 0.00 O ATOM 1245 CB SER A 80 13.673 -20.916 -16.657 1.00 0.00 C ATOM 1246 OG SER A 80 13.987 -21.920 -17.606 1.00 0.00 O ATOM 0 H SER A 80 15.493 -19.326 -16.012 1.00 0.00 H new ATOM 0 HA SER A 80 13.817 -19.600 -18.350 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.329 -21.012 -15.792 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.652 -21.055 -16.300 1.00 0.00 H new ATOM 0 HG SER A 80 13.886 -22.803 -17.193 1.00 0.00 H new ATOM 1252 N GLU A 81 12.624 -18.272 -15.563 1.00 0.00 N ATOM 1253 CA GLU A 81 11.556 -17.433 -15.031 1.00 0.00 C ATOM 1254 C GLU A 81 11.533 -16.075 -15.726 1.00 0.00 C ATOM 1255 O GLU A 81 10.513 -15.666 -16.283 1.00 0.00 O ATOM 1256 CB GLU A 81 11.730 -17.244 -13.522 1.00 0.00 C ATOM 1257 CG GLU A 81 11.533 -18.520 -12.722 1.00 0.00 C ATOM 1258 CD GLU A 81 12.380 -18.557 -11.464 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.596 -18.289 -11.561 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.827 -18.852 -10.384 1.00 0.00 O ATOM 0 H GLU A 81 13.331 -18.540 -14.878 1.00 0.00 H new ATOM 0 HA GLU A 81 10.607 -17.934 -15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.728 -16.853 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.020 -16.494 -13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.482 -18.615 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.780 -19.378 -13.347 1.00 0.00 H new ATOM 1267 N THR A 82 12.665 -15.379 -15.688 1.00 0.00 N ATOM 1268 CA THR A 82 12.775 -14.066 -16.312 1.00 0.00 C ATOM 1269 C THR A 82 12.349 -14.115 -17.775 1.00 0.00 C ATOM 1270 O THR A 82 11.573 -13.276 -18.234 1.00 0.00 O ATOM 1271 CB THR A 82 14.214 -13.523 -16.227 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.131 -14.476 -16.775 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.593 -13.219 -14.785 1.00 0.00 C ATOM 0 H THR A 82 13.518 -15.702 -15.232 1.00 0.00 H new ATOM 0 HA THR A 82 12.109 -13.399 -15.764 1.00 0.00 H new ATOM 0 HB THR A 82 14.264 -12.599 -16.803 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.231 -15.228 -16.154 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.613 -12.837 -14.750 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.911 -12.471 -14.379 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.526 -14.131 -14.191 1.00 0.00 H new ATOM 1281 N LYS A 83 12.860 -15.102 -18.503 1.00 0.00 N ATOM 1282 CA LYS A 83 12.530 -15.262 -19.914 1.00 0.00 C ATOM 1283 C LYS A 83 11.024 -15.166 -20.136 1.00 0.00 C ATOM 1284 O LYS A 83 10.563 -14.492 -21.057 1.00 0.00 O ATOM 1285 CB LYS A 83 13.048 -16.607 -20.430 1.00 0.00 C ATOM 1286 CG LYS A 83 12.569 -16.945 -21.831 1.00 0.00 C ATOM 1287 CD LYS A 83 13.566 -17.829 -22.563 1.00 0.00 C ATOM 1288 CE LYS A 83 13.472 -19.275 -22.101 1.00 0.00 C ATOM 1289 NZ LYS A 83 12.342 -19.993 -22.752 1.00 0.00 N ATOM 0 H LYS A 83 13.505 -15.804 -18.139 1.00 0.00 H new ATOM 0 HA LYS A 83 13.012 -14.456 -20.468 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.138 -16.595 -20.420 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.732 -17.395 -19.747 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.605 -17.451 -21.775 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.414 -16.025 -22.395 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.382 -17.776 -23.636 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.577 -17.457 -22.394 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.406 -19.789 -22.325 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.345 -19.303 -21.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.312 -20.975 -22.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.447 -19.517 -22.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.476 -19.989 -23.783 1.00 0.00 H new ATOM 1303 N THR A 84 10.261 -15.844 -19.284 1.00 0.00 N ATOM 1304 CA THR A 84 8.807 -15.835 -19.387 1.00 0.00 C ATOM 1305 C THR A 84 8.205 -14.699 -18.567 1.00 0.00 C ATOM 1306 O THR A 84 7.218 -14.889 -17.856 1.00 0.00 O ATOM 1307 CB THR A 84 8.202 -17.170 -18.915 1.00 0.00 C ATOM 1308 OG1 THR A 84 6.778 -17.143 -19.066 1.00 0.00 O ATOM 1309 CG2 THR A 84 8.558 -17.442 -17.461 1.00 0.00 C ATOM 0 H THR A 84 10.626 -16.406 -18.515 1.00 0.00 H new ATOM 0 HA THR A 84 8.566 -15.688 -20.440 1.00 0.00 H new ATOM 0 HB THR A 84 8.617 -17.969 -19.529 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.422 -16.322 -18.666 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.120 -18.390 -17.150 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.642 -17.491 -17.355 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.168 -16.640 -16.835 1.00 0.00 H new ATOM 1317 N PHE A 85 8.805 -13.518 -18.671 1.00 0.00 N ATOM 1318 CA PHE A 85 8.327 -12.351 -17.939 1.00 0.00 C ATOM 1319 C PHE A 85 8.319 -11.114 -18.832 1.00 0.00 C ATOM 1320 O PHE A 85 7.391 -10.305 -18.784 1.00 0.00 O ATOM 1321 CB PHE A 85 9.204 -12.101 -16.709 1.00 0.00 C ATOM 1322 CG PHE A 85 8.512 -11.320 -15.629 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.321 -9.954 -15.757 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.052 -11.953 -14.485 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.684 -9.233 -14.764 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.414 -11.237 -13.489 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.231 -9.875 -13.629 1.00 0.00 C ATOM 0 H PHE A 85 9.623 -13.344 -19.255 1.00 0.00 H new ATOM 0 HA PHE A 85 7.305 -12.549 -17.615 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.528 -13.059 -16.303 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.102 -11.565 -17.016 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.674 -9.446 -16.643 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.194 -13.018 -14.370 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.541 -8.168 -14.876 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.059 -11.742 -12.603 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.734 -9.313 -12.852 1.00 0.00 H new ATOM 1337 N LEU A 86 9.359 -10.973 -19.646 1.00 0.00 N ATOM 1338 CA LEU A 86 9.474 -9.834 -20.551 1.00 0.00 C ATOM 1339 C LEU A 86 9.374 -10.282 -22.005 1.00 0.00 C ATOM 1340 O LEU A 86 8.840 -9.565 -22.851 1.00 0.00 O ATOM 1341 CB LEU A 86 10.798 -9.105 -20.319 1.00 0.00 C ATOM 1342 CG LEU A 86 11.055 -7.883 -21.203 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.659 -8.304 -22.534 1.00 0.00 C ATOM 1344 CD2 LEU A 86 9.767 -7.103 -21.422 1.00 0.00 C ATOM 0 H LEU A 86 10.135 -11.633 -19.698 1.00 0.00 H new ATOM 0 HA LEU A 86 8.650 -9.151 -20.343 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.838 -8.789 -19.276 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.612 -9.815 -20.469 1.00 0.00 H new ATOM 0 HG LEU A 86 11.767 -7.234 -20.694 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.835 -7.422 -23.149 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.604 -8.818 -22.358 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.972 -8.975 -23.050 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.969 -6.237 -22.053 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.032 -7.744 -21.909 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.376 -6.768 -20.461 1.00 0.00 H new ATOM 1356 N ALA A 87 9.889 -11.474 -22.288 1.00 0.00 N ATOM 1357 CA ALA A 87 9.854 -12.020 -23.640 1.00 0.00 C ATOM 1358 C ALA A 87 8.638 -12.919 -23.837 1.00 0.00 C ATOM 1359 O ALA A 87 8.600 -13.732 -24.760 1.00 0.00 O ATOM 1360 CB ALA A 87 11.134 -12.788 -23.932 1.00 0.00 C ATOM 0 H ALA A 87 10.335 -12.080 -21.600 1.00 0.00 H new ATOM 0 HA ALA A 87 9.775 -11.188 -24.340 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.094 -13.190 -24.944 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.989 -12.118 -23.841 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.237 -13.607 -23.220 1.00 0.00 H new ATOM 1366 N ALA A 88 7.648 -12.767 -22.964 1.00 0.00 N ATOM 1367 CA ALA A 88 6.430 -13.564 -23.044 1.00 0.00 C ATOM 1368 C ALA A 88 5.216 -12.685 -23.324 1.00 0.00 C ATOM 1369 O ALA A 88 4.306 -13.081 -24.052 1.00 0.00 O ATOM 1370 CB ALA A 88 6.229 -14.351 -21.758 1.00 0.00 C ATOM 0 H ALA A 88 7.665 -12.099 -22.193 1.00 0.00 H new ATOM 0 HA ALA A 88 6.537 -14.264 -23.872 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.316 -14.942 -21.832 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.079 -15.015 -21.601 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.148 -13.661 -20.918 1.00 0.00 H new ATOM 1376 N ALA A 89 5.208 -11.491 -22.741 1.00 0.00 N ATOM 1377 CA ALA A 89 4.106 -10.556 -22.929 1.00 0.00 C ATOM 1378 C ALA A 89 3.764 -10.401 -24.407 1.00 0.00 C ATOM 1379 O ALA A 89 2.706 -10.840 -24.858 1.00 0.00 O ATOM 1380 CB ALA A 89 4.451 -9.204 -22.320 1.00 0.00 C ATOM 0 H ALA A 89 5.953 -11.148 -22.134 1.00 0.00 H new ATOM 0 HA ALA A 89 3.230 -10.958 -22.420 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.619 -8.515 -22.468 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.639 -9.323 -21.253 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.343 -8.804 -22.803 1.00 0.00 H new ATOM 1386 N ASP A 90 4.664 -9.773 -25.155 1.00 0.00 N ATOM 1387 CA ASP A 90 4.457 -9.560 -26.583 1.00 0.00 C ATOM 1388 C ASP A 90 5.744 -9.091 -27.254 1.00 0.00 C ATOM 1389 O ASP A 90 6.760 -8.877 -26.592 1.00 0.00 O ATOM 1390 CB ASP A 90 3.345 -8.536 -26.811 1.00 0.00 C ATOM 1391 CG ASP A 90 2.508 -8.852 -28.036 1.00 0.00 C ATOM 1392 OD1 ASP A 90 2.878 -8.402 -29.140 1.00 0.00 O ATOM 1393 OD2 ASP A 90 1.485 -9.552 -27.889 1.00 0.00 O ATOM 0 H ASP A 90 5.544 -9.402 -24.797 1.00 0.00 H new ATOM 0 HA ASP A 90 4.162 -10.510 -27.029 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.700 -8.503 -25.933 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.785 -7.545 -26.921 1.00 0.00 H new ATOM 1398 N HIS A 91 5.694 -8.934 -28.574 1.00 0.00 N ATOM 1399 CA HIS A 91 6.856 -8.490 -29.335 1.00 0.00 C ATOM 1400 C HIS A 91 6.455 -7.463 -30.389 1.00 0.00 C ATOM 1401 O HIS A 91 6.847 -7.566 -31.552 1.00 0.00 O ATOM 1402 CB HIS A 91 7.539 -9.684 -30.004 1.00 0.00 C ATOM 1403 CG HIS A 91 6.588 -10.601 -30.710 1.00 0.00 C ATOM 1404 ND1 HIS A 91 6.240 -10.448 -32.035 1.00 0.00 N ATOM 1405 CD2 HIS A 91 5.913 -11.687 -30.267 1.00 0.00 C ATOM 1406 CE1 HIS A 91 5.390 -11.400 -32.377 1.00 0.00 C ATOM 1407 NE2 HIS A 91 5.175 -12.165 -31.322 1.00 0.00 N ATOM 0 H HIS A 91 4.862 -9.108 -29.138 1.00 0.00 H new ATOM 0 HA HIS A 91 7.555 -8.020 -28.643 1.00 0.00 H new ATOM 0 HB2 HIS A 91 8.275 -9.317 -30.719 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.084 -10.251 -29.249 1.00 0.00 H new ATOM 0 HD2 HIS A 91 5.948 -12.101 -29.270 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.947 -11.530 -33.353 1.00 0.00 H new ATOM 0 HE2 HIS A 91 4.561 -12.979 -31.295 1.00 0.00 H new ATOM 1415 N ASP A 92 5.670 -6.474 -29.976 1.00 0.00 N ATOM 1416 CA ASP A 92 5.216 -5.427 -30.884 1.00 0.00 C ATOM 1417 C ASP A 92 6.393 -4.809 -31.633 1.00 0.00 C ATOM 1418 O ASP A 92 6.298 -4.513 -32.823 1.00 0.00 O ATOM 1419 CB ASP A 92 4.462 -4.344 -30.111 1.00 0.00 C ATOM 1420 CG ASP A 92 4.208 -3.106 -30.949 1.00 0.00 C ATOM 1421 OD1 ASP A 92 5.154 -2.314 -31.140 1.00 0.00 O ATOM 1422 OD2 ASP A 92 3.062 -2.930 -31.414 1.00 0.00 O ATOM 0 H ASP A 92 5.335 -6.375 -29.018 1.00 0.00 H new ATOM 0 HA ASP A 92 4.542 -5.879 -31.612 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.510 -4.746 -29.763 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.034 -4.069 -29.225 1.00 0.00 H new ATOM 1427 N GLY A 93 7.502 -4.616 -30.926 1.00 0.00 N ATOM 1428 CA GLY A 93 8.681 -4.034 -31.540 1.00 0.00 C ATOM 1429 C GLY A 93 9.953 -4.771 -31.169 1.00 0.00 C ATOM 1430 O GLY A 93 10.636 -5.318 -32.034 1.00 0.00 O ATOM 0 H GLY A 93 7.605 -4.852 -29.939 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.564 -4.042 -32.624 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.768 -2.991 -31.236 1.00 0.00 H new ATOM 1434 N ASP A 94 10.272 -4.784 -29.879 1.00 0.00 N ATOM 1435 CA ASP A 94 11.471 -5.459 -29.395 1.00 0.00 C ATOM 1436 C ASP A 94 11.239 -6.050 -28.008 1.00 0.00 C ATOM 1437 O ASP A 94 12.182 -6.264 -27.248 1.00 0.00 O ATOM 1438 CB ASP A 94 12.650 -4.485 -29.358 1.00 0.00 C ATOM 1439 CG ASP A 94 13.795 -4.929 -30.246 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.485 -5.903 -29.882 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.002 -4.301 -31.306 1.00 0.00 O ATOM 0 H ASP A 94 9.717 -4.335 -29.150 1.00 0.00 H new ATOM 0 HA ASP A 94 11.703 -6.272 -30.082 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.312 -3.498 -29.672 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.006 -4.388 -28.332 1.00 0.00 H new ATOM 1446 N GLY A 95 9.976 -6.311 -27.685 1.00 0.00 N ATOM 1447 CA GLY A 95 9.642 -6.873 -26.389 1.00 0.00 C ATOM 1448 C GLY A 95 9.357 -5.807 -25.350 1.00 0.00 C ATOM 1449 O GLY A 95 8.854 -6.105 -24.267 1.00 0.00 O ATOM 0 H GLY A 95 9.178 -6.143 -28.298 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.770 -7.519 -26.491 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.465 -7.500 -26.045 1.00 0.00 H new ATOM 1453 N LYS A 96 9.679 -4.561 -25.680 1.00 0.00 N ATOM 1454 CA LYS A 96 9.455 -3.446 -24.767 1.00 0.00 C ATOM 1455 C LYS A 96 7.984 -3.352 -24.375 1.00 0.00 C ATOM 1456 O LYS A 96 7.109 -3.241 -25.234 1.00 0.00 O ATOM 1457 CB LYS A 96 9.907 -2.134 -25.412 1.00 0.00 C ATOM 1458 CG LYS A 96 11.381 -2.111 -25.776 1.00 0.00 C ATOM 1459 CD LYS A 96 11.619 -1.403 -27.099 1.00 0.00 C ATOM 1460 CE LYS A 96 11.161 0.046 -27.046 1.00 0.00 C ATOM 1461 NZ LYS A 96 11.798 0.789 -25.924 1.00 0.00 N ATOM 0 H LYS A 96 10.096 -4.298 -26.573 1.00 0.00 H new ATOM 0 HA LYS A 96 10.043 -3.622 -23.866 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.317 -1.959 -26.311 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.697 -1.312 -24.728 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.943 -1.610 -24.988 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.758 -3.132 -25.836 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.680 -1.442 -27.348 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.086 -1.925 -27.893 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.401 0.537 -27.989 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.077 0.080 -26.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.610 1.806 -26.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.405 0.457 -25.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.825 0.624 -25.937 1.00 0.00 H new ATOM 1475 N ILE A 97 7.720 -3.395 -23.073 1.00 0.00 N ATOM 1476 CA ILE A 97 6.355 -3.311 -22.568 1.00 0.00 C ATOM 1477 C ILE A 97 5.931 -1.860 -22.367 1.00 0.00 C ATOM 1478 O ILE A 97 6.744 -1.009 -22.009 1.00 0.00 O ATOM 1479 CB ILE A 97 6.201 -4.068 -21.236 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.866 -5.443 -21.325 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.730 -4.208 -20.873 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.234 -6.354 -22.355 1.00 0.00 C ATOM 0 H ILE A 97 8.433 -3.487 -22.349 1.00 0.00 H new ATOM 0 HA ILE A 97 5.712 -3.774 -23.317 1.00 0.00 H new ATOM 0 HB ILE A 97 6.696 -3.496 -20.451 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.921 -5.313 -21.566 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.819 -5.924 -20.348 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.638 -4.745 -19.929 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.284 -3.218 -20.772 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.213 -4.761 -21.657 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.756 -7.311 -22.363 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.186 -6.515 -22.104 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.305 -5.893 -23.340 1.00 0.00 H new ATOM 1494 N GLY A 98 4.651 -1.586 -22.599 1.00 0.00 N ATOM 1495 CA GLY A 98 4.140 -0.237 -22.437 1.00 0.00 C ATOM 1496 C GLY A 98 2.794 -0.207 -21.741 1.00 0.00 C ATOM 1497 O GLY A 98 1.834 0.364 -22.256 1.00 0.00 O ATOM 0 H GLY A 98 3.959 -2.274 -22.896 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.855 0.353 -21.864 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.050 0.234 -23.416 1.00 0.00 H new ATOM 1501 N ALA A 99 2.723 -0.825 -20.567 1.00 0.00 N ATOM 1502 CA ALA A 99 1.485 -0.867 -19.799 1.00 0.00 C ATOM 1503 C ALA A 99 0.319 -1.336 -20.662 1.00 0.00 C ATOM 1504 O ALA A 99 -0.809 -0.871 -20.503 1.00 0.00 O ATOM 1505 CB ALA A 99 1.186 0.502 -19.205 1.00 0.00 C ATOM 0 H ALA A 99 3.509 -1.304 -20.127 1.00 0.00 H new ATOM 0 HA ALA A 99 1.614 -1.583 -18.988 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.259 0.456 -18.634 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.003 0.800 -18.547 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.082 1.232 -20.008 1.00 0.00 H new ATOM 1511 N GLU A 100 0.599 -2.260 -21.576 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.427 -2.791 -22.465 1.00 0.00 C ATOM 1513 C GLU A 100 -0.195 -4.273 -22.741 1.00 0.00 C ATOM 1514 O GLU A 100 -1.141 -5.054 -22.831 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.445 -2.012 -23.782 1.00 0.00 C ATOM 1516 CG GLU A 100 -0.940 -0.583 -23.638 1.00 0.00 C ATOM 1517 CD GLU A 100 -2.453 -0.483 -23.666 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -3.044 -0.752 -24.733 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -3.045 -0.138 -22.623 1.00 0.00 O ATOM 0 H GLU A 100 1.528 -2.656 -21.720 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.392 -2.679 -21.971 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.562 -1.998 -24.200 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.079 -2.537 -24.496 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.570 -0.167 -22.701 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.525 0.024 -24.442 1.00 0.00 H new ATOM 1526 N GLU A 101 1.073 -4.652 -22.876 1.00 0.00 N ATOM 1527 CA GLU A 101 1.429 -6.041 -23.143 1.00 0.00 C ATOM 1528 C GLU A 101 1.264 -6.896 -21.890 1.00 0.00 C ATOM 1529 O GLU A 101 0.469 -7.836 -21.867 1.00 0.00 O ATOM 1530 CB GLU A 101 2.870 -6.132 -23.649 1.00 0.00 C ATOM 1531 CG GLU A 101 3.078 -5.494 -25.013 1.00 0.00 C ATOM 1532 CD GLU A 101 4.510 -5.606 -25.498 1.00 0.00 C ATOM 1533 OE1 GLU A 101 5.148 -6.645 -25.227 1.00 0.00 O ATOM 1534 OE2 GLU A 101 4.993 -4.655 -26.147 1.00 0.00 O ATOM 0 H GLU A 101 1.869 -4.018 -22.805 1.00 0.00 H new ATOM 0 HA GLU A 101 0.756 -6.421 -23.912 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.530 -5.651 -22.928 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.163 -7.181 -23.699 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.415 -5.969 -25.737 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.796 -4.442 -24.965 1.00 0.00 H new ATOM 1541 N PHE A 102 2.021 -6.563 -20.850 1.00 0.00 N ATOM 1542 CA PHE A 102 1.961 -7.301 -19.593 1.00 0.00 C ATOM 1543 C PHE A 102 0.538 -7.318 -19.041 1.00 0.00 C ATOM 1544 O PHE A 102 0.170 -8.210 -18.277 1.00 0.00 O ATOM 1545 CB PHE A 102 2.911 -6.680 -18.567 1.00 0.00 C ATOM 1546 CG PHE A 102 3.430 -7.665 -17.558 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.708 -7.946 -16.410 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.639 -8.310 -17.759 1.00 0.00 C ATOM 1549 CE1 PHE A 102 3.184 -8.851 -15.480 1.00 0.00 C ATOM 1550 CE2 PHE A 102 5.120 -9.216 -16.833 1.00 0.00 C ATOM 1551 CZ PHE A 102 4.391 -9.488 -15.692 1.00 0.00 C ATOM 0 H PHE A 102 2.683 -5.787 -20.852 1.00 0.00 H new ATOM 0 HA PHE A 102 2.269 -8.328 -19.788 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.754 -6.230 -19.090 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.393 -5.875 -18.045 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.763 -7.453 -16.240 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.213 -8.102 -18.650 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.612 -9.060 -14.588 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.065 -9.711 -17.001 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.764 -10.197 -14.967 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.255 -6.326 -19.433 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.636 -6.227 -18.976 1.00 0.00 C ATOM 1563 C GLN A 103 -2.486 -7.347 -19.566 1.00 0.00 C ATOM 1564 O GLN A 103 -3.212 -8.032 -18.846 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.225 -4.868 -19.358 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.113 -3.826 -18.257 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.685 -3.613 -17.797 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.416 -3.503 -16.600 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.241 -3.556 -18.747 1.00 0.00 N ATOM 0 H GLN A 103 0.035 -5.580 -20.065 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.641 -6.325 -17.890 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.718 -4.499 -20.249 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.275 -4.997 -19.619 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.520 -2.880 -18.615 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.722 -4.134 -17.407 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.027 -3.652 -19.727 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.220 -3.416 -18.497 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.391 -7.526 -20.880 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.153 -8.563 -21.566 1.00 0.00 C ATOM 1580 C GLU A 104 -2.667 -9.952 -21.163 1.00 0.00 C ATOM 1581 O GLU A 104 -3.392 -10.938 -21.298 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.041 -8.391 -23.082 1.00 0.00 C ATOM 1583 CG GLU A 104 -1.831 -9.084 -23.685 1.00 0.00 C ATOM 1584 CD GLU A 104 -1.275 -8.347 -24.888 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -2.063 -7.682 -25.592 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -0.052 -8.437 -25.126 1.00 0.00 O ATOM 0 H GLU A 104 -1.795 -6.967 -21.490 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.198 -8.464 -21.273 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.944 -8.781 -23.551 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.994 -7.327 -23.316 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.053 -9.173 -22.927 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.106 -10.097 -23.980 1.00 0.00 H new ATOM 1593 N MET A 105 -1.435 -10.021 -20.669 1.00 0.00 N ATOM 1594 CA MET A 105 -0.852 -11.289 -20.246 1.00 0.00 C ATOM 1595 C MET A 105 -1.593 -11.852 -19.037 1.00 0.00 C ATOM 1596 O MET A 105 -2.010 -13.010 -19.035 1.00 0.00 O ATOM 1597 CB MET A 105 0.630 -11.107 -19.912 1.00 0.00 C ATOM 1598 CG MET A 105 1.246 -12.307 -19.211 1.00 0.00 C ATOM 1599 SD MET A 105 2.946 -12.616 -19.728 1.00 0.00 S ATOM 1600 CE MET A 105 3.768 -11.165 -19.075 1.00 0.00 C ATOM 0 H MET A 105 -0.822 -9.214 -20.552 1.00 0.00 H new ATOM 0 HA MET A 105 -0.947 -11.997 -21.069 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.180 -10.912 -20.832 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.746 -10.227 -19.279 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.222 -12.145 -18.133 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.642 -13.191 -19.414 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.844 -11.260 -19.220 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.408 -10.278 -19.596 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.552 -11.073 -18.011 1.00 0.00 H new ATOM 1610 N VAL A 106 -1.752 -11.024 -18.009 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.443 -11.439 -16.794 1.00 0.00 C ATOM 1612 C VAL A 106 -3.867 -11.891 -17.098 1.00 0.00 C ATOM 1613 O VAL A 106 -4.271 -12.992 -16.728 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.488 -10.301 -15.757 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.982 -10.820 -14.415 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.118 -9.655 -15.616 1.00 0.00 C ATOM 0 H VAL A 106 -1.412 -10.063 -17.994 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.880 -12.276 -16.380 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.188 -9.542 -16.106 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.007 -10.002 -13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.984 -11.232 -14.531 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.309 -11.599 -14.056 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.168 -8.853 -14.879 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.395 -10.403 -15.290 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.808 -9.246 -16.578 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.622 -11.032 -17.776 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.002 -11.343 -18.130 1.00 0.00 C ATOM 1628 C GLN A 107 -6.078 -12.627 -18.949 1.00 0.00 C ATOM 1629 O GLN A 107 -7.037 -13.390 -18.839 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.623 -10.186 -18.914 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.426 -8.830 -18.257 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.615 -8.877 -16.753 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -7.582 -9.454 -16.256 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -5.690 -8.269 -16.020 1.00 0.00 N ATOM 0 H GLN A 107 -4.302 -10.116 -18.091 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.563 -11.489 -17.207 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.190 -10.162 -19.914 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.691 -10.371 -19.033 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.424 -8.463 -18.482 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.130 -8.117 -18.686 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.905 -7.803 -16.474 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.765 -8.268 -15.003 1.00 0.00 H new ATOM 1643 N SER A 108 -5.059 -12.860 -19.771 1.00 0.00 N ATOM 1644 CA SER A 108 -5.012 -14.050 -20.613 1.00 0.00 C ATOM 1645 C SER A 108 -4.477 -15.246 -19.832 1.00 0.00 C ATOM 1646 O SER A 108 -3.532 -15.121 -19.055 1.00 0.00 O ATOM 1647 CB SER A 108 -4.138 -13.796 -21.842 1.00 0.00 C ATOM 1648 OG SER A 108 -2.814 -13.460 -21.466 1.00 0.00 O ATOM 0 H SER A 108 -4.255 -12.240 -19.872 1.00 0.00 H new ATOM 0 HA SER A 108 -6.027 -14.276 -20.939 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.126 -14.685 -22.473 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.566 -12.989 -22.436 1.00 0.00 H new ATOM 0 HG SER A 108 -2.719 -13.544 -20.494 1.00 0.00 H new TER 1654 SER A 108