USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.18) USER MOD Set 1.2: A 59 MET CE :methyl 159:sc= -0.726 (180deg=-0.924) USER MOD Single : A 21 TYR OH : rot 9:sc= 1.09 USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0.178 (180deg=-0.502!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.7) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -128:sc= 1.03 USER MOD Single : A 35 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.962) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.0186 (180deg=-0.255) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 150:sc= -2.1! USER MOD Single : A 43 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=-0.042) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 1.37! (180deg=0.853!) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 2.4 (180deg=2.15) USER MOD Single : A 50 SER OG : rot 77:sc= 1.27 USER MOD Single : A 51 TYR OH : rot -130:sc=-0.00824 USER MOD Single : A 52 CYS SG : rot 75:sc= -1.7! USER MOD Single : A 53 GLN : amide:sc= -0.816 K(o=-0.82,f=-3!) USER MOD Single : A 55 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.6) USER MOD Single : A 60 ASN : amide:sc= 0.0754 X(o=0.075,f=0) USER MOD Single : A 61 SER OG : rot -77:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.97) USER MOD Single : A 74 ASN : amide:sc= -0.0958 X(o=-0.096,f=-0.43) USER MOD Single : A 75 HIS : no HD1:sc= 0.629 K(o=0.63,f=-6!) USER MOD Single : A 76 THR OG1 : rot -61:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : B 357 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.96) USER MOD Single : B 358 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.859 6.224 9.809 1.00 10.00 N ATOM 2 CA TYR A 21 3.021 5.198 8.754 1.00 10.00 C ATOM 3 C TYR A 21 1.666 4.602 8.388 1.00 10.00 C ATOM 4 O TYR A 21 0.796 4.463 9.246 1.00 10.00 O ATOM 5 CB TYR A 21 3.968 4.091 9.228 1.00 10.00 C ATOM 6 CG TYR A 21 5.378 4.209 8.688 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.806 3.418 7.630 1.00 10.00 C ATOM 8 CD2 TYR A 21 6.285 5.106 9.241 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.094 3.515 7.135 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.574 5.212 8.751 1.00 10.00 C ATOM 11 CZ TYR A 21 7.976 4.413 7.700 1.00 10.00 C ATOM 12 OH TYR A 21 9.262 4.510 7.215 1.00 10.00 O ATOM 0 HA TYR A 21 3.450 5.673 7.871 1.00 10.00 H new ATOM 0 HB2 TYR A 21 4.006 4.102 10.317 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.557 3.125 8.933 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.120 2.713 7.185 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.978 5.730 10.067 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.407 2.891 6.311 1.00 10.00 H new ATOM 0 HE2 TYR A 21 8.264 5.918 9.189 1.00 10.00 H new ATOM 0 HH TYR A 21 9.342 3.983 6.393 1.00 10.00 H new ATOM 22 N ILE A 22 1.495 4.265 7.118 1.00 10.00 N ATOM 23 CA ILE A 22 0.250 3.686 6.628 1.00 10.00 C ATOM 24 C ILE A 22 0.486 2.249 6.176 1.00 10.00 C ATOM 25 O ILE A 22 1.365 1.987 5.359 1.00 10.00 O ATOM 26 CB ILE A 22 -0.323 4.511 5.451 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.573 5.964 5.878 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.603 3.884 4.921 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.647 6.119 6.939 1.00 10.00 C ATOM 0 H ILE A 22 2.210 4.384 6.401 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.473 3.700 7.444 1.00 10.00 H new ATOM 0 HB ILE A 22 0.414 4.510 4.648 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.359 6.387 6.254 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.856 6.546 5.001 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.986 4.482 4.094 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.395 2.873 4.571 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.347 3.847 5.717 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.764 7.174 7.187 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.591 5.728 6.561 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.358 5.566 7.833 1.00 10.00 H new ATOM 41 N LYS A 23 -0.293 1.324 6.711 1.00 10.00 N ATOM 42 CA LYS A 23 -0.150 -0.080 6.365 1.00 10.00 C ATOM 43 C LYS A 23 -1.140 -0.484 5.275 1.00 10.00 C ATOM 44 O LYS A 23 -2.337 -0.644 5.529 1.00 10.00 O ATOM 45 CB LYS A 23 -0.353 -0.945 7.608 1.00 10.00 C ATOM 46 CG LYS A 23 -0.137 -2.429 7.366 1.00 10.00 C ATOM 47 CD LYS A 23 -0.953 -3.274 8.333 1.00 10.00 C ATOM 48 CE LYS A 23 -2.397 -3.425 7.870 1.00 10.00 C ATOM 49 NZ LYS A 23 -3.239 -2.253 8.233 1.00 10.00 N ATOM 0 H LYS A 23 -1.031 1.520 7.387 1.00 10.00 H new ATOM 0 HA LYS A 23 0.857 -0.235 5.978 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.332 -0.610 8.387 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.364 -0.791 7.985 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.414 -2.676 6.341 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.921 -2.667 7.476 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.497 -4.259 8.429 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.934 -2.816 9.322 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.416 -3.560 6.789 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.824 -4.325 8.311 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.241 -2.531 8.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.976 -1.917 9.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.089 -1.490 7.542 1.00 10.00 H new ATOM 63 N LEU A 24 -0.632 -0.651 4.064 1.00 10.00 N ATOM 64 CA LEU A 24 -1.462 -1.043 2.932 1.00 10.00 C ATOM 65 C LEU A 24 -1.496 -2.562 2.815 1.00 10.00 C ATOM 66 O LEU A 24 -0.481 -3.229 3.032 1.00 10.00 O ATOM 67 CB LEU A 24 -0.932 -0.428 1.632 1.00 10.00 C ATOM 68 CG LEU A 24 -0.907 1.102 1.595 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.257 1.592 0.310 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.313 1.667 1.728 1.00 10.00 C ATOM 0 H LEU A 24 0.354 -0.521 3.838 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.473 -0.673 3.100 1.00 10.00 H new ATOM 0 HB2 LEU A 24 0.080 -0.796 1.462 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.545 -0.785 0.804 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.315 1.455 2.440 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.247 2.682 0.300 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.766 1.220 0.255 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.823 1.226 -0.547 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.272 2.756 1.699 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.930 1.305 0.905 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.746 1.345 2.675 1.00 10.00 H new ATOM 82 N LYS A 25 -2.657 -3.107 2.483 1.00 10.00 N ATOM 83 CA LYS A 25 -2.806 -4.548 2.347 1.00 10.00 C ATOM 84 C LYS A 25 -2.917 -4.952 0.886 1.00 10.00 C ATOM 85 O LYS A 25 -3.857 -4.563 0.191 1.00 10.00 O ATOM 86 CB LYS A 25 -4.038 -5.044 3.111 1.00 10.00 C ATOM 87 CG LYS A 25 -3.817 -5.191 4.607 1.00 10.00 C ATOM 88 CD LYS A 25 -4.945 -5.971 5.272 1.00 10.00 C ATOM 89 CE LYS A 25 -4.966 -7.430 4.825 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.912 -8.249 5.631 1.00 10.00 N ATOM 0 H LYS A 25 -3.508 -2.574 2.303 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.914 -5.009 2.772 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.862 -4.351 2.942 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.343 -6.007 2.702 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -2.869 -5.699 4.786 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.741 -4.203 5.062 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -4.830 -5.924 6.355 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.900 -5.504 5.033 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -5.247 -7.482 3.773 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.963 -7.849 4.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.894 -9.233 5.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -5.630 -8.221 6.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.874 -7.866 5.532 1.00 10.00 H new ATOM 104 N VAL A 26 -1.946 -5.718 0.421 1.00 10.00 N ATOM 105 CA VAL A 26 -1.943 -6.204 -0.950 1.00 10.00 C ATOM 106 C VAL A 26 -2.394 -7.655 -0.958 1.00 10.00 C ATOM 107 O VAL A 26 -1.818 -8.488 -0.258 1.00 10.00 O ATOM 108 CB VAL A 26 -0.547 -6.106 -1.606 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.665 -6.162 -3.123 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.179 -4.842 -1.165 1.00 10.00 C ATOM 0 H VAL A 26 -1.144 -6.019 0.975 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.623 -5.577 -1.527 1.00 10.00 H new ATOM 0 HB VAL A 26 0.043 -6.961 -1.275 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.328 -6.092 -3.568 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -1.129 -7.103 -3.417 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -1.278 -5.331 -3.471 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.158 -4.800 -1.642 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.404 -3.968 -1.455 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.303 -4.853 -0.082 1.00 10.00 H new ATOM 120 N ILE A 27 -3.433 -7.952 -1.719 1.00 10.00 N ATOM 121 CA ILE A 27 -3.947 -9.310 -1.784 1.00 10.00 C ATOM 122 C ILE A 27 -3.407 -10.035 -3.008 1.00 10.00 C ATOM 123 O ILE A 27 -3.780 -9.731 -4.144 1.00 10.00 O ATOM 124 CB ILE A 27 -5.492 -9.339 -1.806 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.066 -8.523 -0.638 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.002 -10.777 -1.752 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.701 -9.061 0.730 1.00 10.00 C ATOM 0 H ILE A 27 -3.934 -7.277 -2.297 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.608 -9.821 -0.883 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.828 -8.887 -2.739 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.713 -7.495 -0.719 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.152 -8.495 -0.728 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.092 -10.777 -1.768 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.626 -11.329 -2.613 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.653 -11.253 -0.836 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.145 -8.429 1.500 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.079 -10.078 0.834 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.617 -9.063 0.843 1.00 10.00 H new ATOM 139 N GLY A 28 -2.513 -10.983 -2.766 1.00 10.00 N ATOM 140 CA GLY A 28 -1.930 -11.748 -3.846 1.00 10.00 C ATOM 141 C GLY A 28 -2.894 -12.778 -4.397 1.00 10.00 C ATOM 142 O GLY A 28 -3.953 -13.023 -3.812 1.00 10.00 O ATOM 0 H GLY A 28 -2.181 -11.236 -1.835 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.625 -11.073 -4.645 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -1.029 -12.248 -3.491 1.00 10.00 H new ATOM 146 N GLN A 29 -2.524 -13.401 -5.507 1.00 10.00 N ATOM 147 CA GLN A 29 -3.373 -14.403 -6.142 1.00 10.00 C ATOM 148 C GLN A 29 -3.429 -15.679 -5.305 1.00 10.00 C ATOM 149 O GLN A 29 -4.340 -16.496 -5.454 1.00 10.00 O ATOM 150 CB GLN A 29 -2.868 -14.717 -7.553 1.00 10.00 C ATOM 151 CG GLN A 29 -3.895 -15.427 -8.423 1.00 10.00 C ATOM 152 CD GLN A 29 -5.149 -14.599 -8.632 1.00 10.00 C ATOM 153 OE1 GLN A 29 -5.246 -13.828 -9.585 1.00 10.00 O ATOM 154 NE2 GLN A 29 -6.116 -14.752 -7.739 1.00 10.00 N ATOM 0 H GLN A 29 -1.641 -13.231 -5.988 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.381 -13.995 -6.213 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -2.572 -13.787 -8.039 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.974 -15.337 -7.481 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -3.450 -15.657 -9.391 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -4.163 -16.377 -7.961 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -5.995 -15.403 -6.963 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.981 -14.219 -7.828 1.00 10.00 H new ATOM 163 N ASP A 30 -2.456 -15.840 -4.418 1.00 10.00 N ATOM 164 CA ASP A 30 -2.395 -17.010 -3.548 1.00 10.00 C ATOM 165 C ASP A 30 -3.015 -16.697 -2.189 1.00 10.00 C ATOM 166 O ASP A 30 -2.736 -17.370 -1.194 1.00 10.00 O ATOM 167 CB ASP A 30 -0.946 -17.490 -3.382 1.00 10.00 C ATOM 168 CG ASP A 30 -0.109 -16.581 -2.509 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.176 -15.441 -2.928 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.285 -17.006 -1.403 1.00 10.00 O ATOM 0 H ASP A 30 -1.696 -15.174 -4.281 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.968 -17.812 -4.013 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.950 -18.492 -2.952 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.481 -17.566 -4.365 1.00 10.00 H new ATOM 175 N SER A 31 -3.864 -15.669 -2.169 1.00 10.00 N ATOM 176 CA SER A 31 -4.556 -15.238 -0.957 1.00 10.00 C ATOM 177 C SER A 31 -3.565 -14.783 0.110 1.00 10.00 C ATOM 178 O SER A 31 -3.758 -15.022 1.302 1.00 10.00 O ATOM 179 CB SER A 31 -5.443 -16.364 -0.419 1.00 10.00 C ATOM 180 OG SER A 31 -6.235 -16.924 -1.457 1.00 10.00 O ATOM 0 H SER A 31 -4.090 -15.113 -2.993 1.00 10.00 H new ATOM 0 HA SER A 31 -5.188 -14.388 -1.214 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.822 -17.140 0.029 1.00 10.00 H new ATOM 0 HB3 SER A 31 -6.089 -15.978 0.370 1.00 10.00 H new ATOM 0 HG SER A 31 -6.793 -17.642 -1.092 1.00 10.00 H new ATOM 186 N SER A 32 -2.505 -14.125 -0.331 1.00 10.00 N ATOM 187 CA SER A 32 -1.486 -13.625 0.573 1.00 10.00 C ATOM 188 C SER A 32 -1.829 -12.213 1.018 1.00 10.00 C ATOM 189 O SER A 32 -2.297 -11.402 0.218 1.00 10.00 O ATOM 190 CB SER A 32 -0.126 -13.638 -0.120 1.00 10.00 C ATOM 191 OG SER A 32 -0.264 -13.338 -1.500 1.00 10.00 O ATOM 0 H SER A 32 -2.329 -13.925 -1.316 1.00 10.00 H new ATOM 0 HA SER A 32 -1.445 -14.270 1.451 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.535 -12.910 0.351 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.340 -14.616 -0.000 1.00 10.00 H new ATOM 0 HG SER A 32 0.188 -14.026 -2.031 1.00 10.00 H new ATOM 197 N GLU A 33 -1.617 -11.927 2.292 1.00 10.00 N ATOM 198 CA GLU A 33 -1.896 -10.609 2.821 1.00 10.00 C ATOM 199 C GLU A 33 -0.599 -9.849 3.036 1.00 10.00 C ATOM 200 O GLU A 33 0.055 -9.986 4.072 1.00 10.00 O ATOM 201 CB GLU A 33 -2.680 -10.709 4.131 1.00 10.00 C ATOM 202 CG GLU A 33 -4.030 -11.385 3.978 1.00 10.00 C ATOM 203 CD GLU A 33 -4.278 -12.442 5.031 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.668 -12.079 6.161 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.104 -13.643 4.723 1.00 10.00 O ATOM 0 H GLU A 33 -1.253 -12.591 2.975 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.506 -10.066 2.099 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.086 -11.261 4.859 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.828 -9.707 4.534 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.817 -10.632 4.033 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.093 -11.841 2.990 1.00 10.00 H new ATOM 212 N ILE A 34 -0.214 -9.065 2.046 1.00 10.00 N ATOM 213 CA ILE A 34 1.007 -8.288 2.134 1.00 10.00 C ATOM 214 C ILE A 34 0.762 -7.023 2.940 1.00 10.00 C ATOM 215 O ILE A 34 -0.110 -6.223 2.599 1.00 10.00 O ATOM 216 CB ILE A 34 1.547 -7.900 0.742 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.525 -9.101 -0.215 1.00 10.00 C ATOM 218 CG2 ILE A 34 2.953 -7.332 0.860 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.411 -10.255 0.215 1.00 10.00 C ATOM 0 H ILE A 34 -0.729 -8.950 1.173 1.00 10.00 H new ATOM 0 HA ILE A 34 1.752 -8.913 2.627 1.00 10.00 H new ATOM 0 HB ILE A 34 0.895 -7.132 0.327 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.500 -9.459 -0.307 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.836 -8.768 -1.205 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.321 -7.063 -0.130 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.935 -6.446 1.494 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.612 -8.080 1.301 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.338 -11.061 -0.515 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.445 -9.916 0.278 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.088 -10.618 1.191 1.00 10.00 H new ATOM 231 N HIS A 35 1.514 -6.862 4.016 1.00 10.00 N ATOM 232 CA HIS A 35 1.388 -5.695 4.870 1.00 10.00 C ATOM 233 C HIS A 35 2.536 -4.734 4.591 1.00 10.00 C ATOM 234 O HIS A 35 3.594 -4.803 5.224 1.00 10.00 O ATOM 235 CB HIS A 35 1.377 -6.100 6.352 1.00 10.00 C ATOM 236 CG HIS A 35 0.115 -6.782 6.803 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.326 -6.679 8.100 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.747 -7.566 6.108 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.434 -7.396 8.167 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.729 -7.954 6.985 1.00 10.00 N ATOM 0 H HIS A 35 2.222 -7.530 4.319 1.00 10.00 H new ATOM 0 HA HIS A 35 0.442 -5.200 4.651 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.221 -6.764 6.540 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.531 -5.209 6.960 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.674 -7.834 5.064 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.027 -7.517 9.062 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.529 -8.552 6.777 1.00 10.00 H new ATOM 248 N PHE A 36 2.337 -3.853 3.624 1.00 10.00 N ATOM 249 CA PHE A 36 3.362 -2.895 3.255 1.00 10.00 C ATOM 250 C PHE A 36 3.199 -1.610 4.053 1.00 10.00 C ATOM 251 O PHE A 36 2.202 -0.902 3.910 1.00 10.00 O ATOM 252 CB PHE A 36 3.305 -2.594 1.756 1.00 10.00 C ATOM 253 CG PHE A 36 4.659 -2.389 1.128 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.676 -1.753 1.825 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.917 -2.838 -0.159 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.921 -1.568 1.253 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.162 -2.654 -0.736 1.00 10.00 C ATOM 258 CZ PHE A 36 7.164 -2.020 -0.030 1.00 10.00 C ATOM 0 H PHE A 36 1.476 -3.783 3.082 1.00 10.00 H new ATOM 0 HA PHE A 36 4.335 -3.330 3.485 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.799 -3.415 1.248 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.701 -1.701 1.596 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.493 -1.398 2.828 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.138 -3.337 -0.717 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.703 -1.071 1.808 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.349 -3.007 -1.739 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.136 -1.877 -0.479 1.00 10.00 H new ATOM 268 N LYS A 37 4.178 -1.325 4.896 1.00 10.00 N ATOM 269 CA LYS A 37 4.154 -0.131 5.720 1.00 10.00 C ATOM 270 C LYS A 37 4.755 1.042 4.957 1.00 10.00 C ATOM 271 O LYS A 37 5.976 1.195 4.892 1.00 10.00 O ATOM 272 CB LYS A 37 4.924 -0.375 7.021 1.00 10.00 C ATOM 273 CG LYS A 37 4.218 0.152 8.258 1.00 10.00 C ATOM 274 CD LYS A 37 5.047 -0.066 9.515 1.00 10.00 C ATOM 275 CE LYS A 37 5.079 -1.532 9.923 1.00 10.00 C ATOM 276 NZ LYS A 37 5.665 -1.721 11.277 1.00 10.00 N ATOM 0 H LYS A 37 5.004 -1.909 5.027 1.00 10.00 H new ATOM 0 HA LYS A 37 3.120 0.109 5.968 1.00 10.00 H new ATOM 0 HB2 LYS A 37 5.092 -1.446 7.138 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.905 0.095 6.946 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.015 1.216 8.136 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.254 -0.346 8.367 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.064 0.286 9.345 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.635 0.529 10.330 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.066 -1.935 9.907 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.659 -2.098 9.195 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.668 -2.733 11.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.640 -1.360 11.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.097 -1.202 11.977 1.00 10.00 H new ATOM 290 N VAL A 38 3.892 1.857 4.374 1.00 10.00 N ATOM 291 CA VAL A 38 4.323 3.011 3.601 1.00 10.00 C ATOM 292 C VAL A 38 4.192 4.288 4.424 1.00 10.00 C ATOM 293 O VAL A 38 3.653 4.270 5.529 1.00 10.00 O ATOM 294 CB VAL A 38 3.511 3.157 2.294 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.421 1.827 1.568 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.118 3.705 2.566 1.00 10.00 C ATOM 0 H VAL A 38 2.880 1.739 4.422 1.00 10.00 H new ATOM 0 HA VAL A 38 5.369 2.851 3.341 1.00 10.00 H new ATOM 0 HB VAL A 38 4.035 3.869 1.657 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.845 1.951 0.651 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.424 1.478 1.323 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.929 1.095 2.209 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.573 3.796 1.626 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.584 3.027 3.232 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.198 4.686 3.035 1.00 10.00 H new ATOM 306 N LYS A 39 4.685 5.391 3.890 1.00 10.00 N ATOM 307 CA LYS A 39 4.603 6.665 4.583 1.00 10.00 C ATOM 308 C LYS A 39 3.917 7.694 3.693 1.00 10.00 C ATOM 309 O LYS A 39 4.212 7.783 2.500 1.00 10.00 O ATOM 310 CB LYS A 39 5.997 7.148 4.992 1.00 10.00 C ATOM 311 CG LYS A 39 5.980 8.242 6.046 1.00 10.00 C ATOM 312 CD LYS A 39 7.380 8.752 6.340 1.00 10.00 C ATOM 313 CE LYS A 39 7.348 10.061 7.112 1.00 10.00 C ATOM 314 NZ LYS A 39 8.651 10.773 7.059 1.00 10.00 N ATOM 0 H LYS A 39 5.145 5.431 2.981 1.00 10.00 H new ATOM 0 HA LYS A 39 4.013 6.535 5.490 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.569 6.301 5.370 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.518 7.516 4.108 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.355 9.067 5.705 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.531 7.859 6.962 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.927 8.004 6.914 1.00 10.00 H new ATOM 0 HD3 LYS A 39 7.920 8.894 5.404 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.568 10.703 6.704 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.086 9.862 8.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.522 11.757 7.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.332 10.298 7.686 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.013 10.763 6.084 1.00 10.00 H new ATOM 328 N MET A 40 3.001 8.458 4.273 1.00 10.00 N ATOM 329 CA MET A 40 2.259 9.472 3.530 1.00 10.00 C ATOM 330 C MET A 40 3.130 10.693 3.235 1.00 10.00 C ATOM 331 O MET A 40 3.042 11.713 3.920 1.00 10.00 O ATOM 332 CB MET A 40 1.006 9.882 4.310 1.00 10.00 C ATOM 333 CG MET A 40 0.120 10.884 3.580 1.00 10.00 C ATOM 334 SD MET A 40 -0.474 10.275 1.989 1.00 10.00 S ATOM 335 CE MET A 40 -1.541 8.931 2.510 1.00 10.00 C ATOM 0 H MET A 40 2.752 8.395 5.260 1.00 10.00 H new ATOM 0 HA MET A 40 1.958 9.042 2.575 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.421 8.990 4.532 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.309 10.310 5.265 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.735 11.131 4.210 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.678 11.807 3.424 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.155 8.607 1.670 1.00 10.00 H new ATOM 0 HE2 MET A 40 -0.932 8.096 2.857 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.185 9.271 3.321 1.00 10.00 H new ATOM 345 N THR A 41 3.984 10.565 2.225 1.00 10.00 N ATOM 346 CA THR A 41 4.879 11.642 1.809 1.00 10.00 C ATOM 347 C THR A 41 5.825 11.153 0.716 1.00 10.00 C ATOM 348 O THR A 41 6.208 11.911 -0.174 1.00 10.00 O ATOM 349 CB THR A 41 5.699 12.214 2.996 1.00 10.00 C ATOM 350 OG1 THR A 41 6.590 13.242 2.545 1.00 10.00 O ATOM 351 CG2 THR A 41 6.496 11.128 3.700 1.00 10.00 C ATOM 0 H THR A 41 4.076 9.713 1.671 1.00 10.00 H new ATOM 0 HA THR A 41 4.254 12.446 1.420 1.00 10.00 H new ATOM 0 HB THR A 41 4.987 12.635 3.706 1.00 10.00 H new ATOM 0 HG1 THR A 41 7.098 13.592 3.307 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.057 11.566 4.525 1.00 10.00 H new ATOM 0 HG22 THR A 41 5.815 10.370 4.086 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.188 10.669 2.994 1.00 10.00 H new ATOM 359 N THR A 42 6.186 9.879 0.783 1.00 10.00 N ATOM 360 CA THR A 42 7.082 9.284 -0.192 1.00 10.00 C ATOM 361 C THR A 42 6.343 8.965 -1.485 1.00 10.00 C ATOM 362 O THR A 42 5.147 8.666 -1.467 1.00 10.00 O ATOM 363 CB THR A 42 7.686 7.991 0.369 1.00 10.00 C ATOM 364 OG1 THR A 42 7.666 8.050 1.796 1.00 10.00 O ATOM 365 CG2 THR A 42 9.112 7.794 -0.123 1.00 10.00 C ATOM 0 H THR A 42 5.868 9.236 1.508 1.00 10.00 H new ATOM 0 HA THR A 42 7.874 10.003 -0.403 1.00 10.00 H new ATOM 0 HB THR A 42 7.093 7.145 0.022 1.00 10.00 H new ATOM 0 HG1 THR A 42 7.578 7.144 2.160 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.515 6.870 0.291 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.117 7.737 -1.211 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.727 8.634 0.199 1.00 10.00 H new ATOM 373 N HIS A 43 7.050 9.044 -2.602 1.00 10.00 N ATOM 374 CA HIS A 43 6.460 8.745 -3.895 1.00 10.00 C ATOM 375 C HIS A 43 6.234 7.245 -4.011 1.00 10.00 C ATOM 376 O HIS A 43 6.996 6.455 -3.449 1.00 10.00 O ATOM 377 CB HIS A 43 7.371 9.216 -5.034 1.00 10.00 C ATOM 378 CG HIS A 43 7.861 10.624 -4.879 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.134 10.892 -4.435 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.222 11.793 -5.123 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.240 12.208 -4.416 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.107 12.795 -4.824 1.00 10.00 N ATOM 0 H HIS A 43 8.033 9.313 -2.638 1.00 10.00 H new ATOM 0 HA HIS A 43 5.509 9.272 -3.974 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.230 8.548 -5.099 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.830 9.132 -5.977 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.211 11.912 -5.483 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.127 12.743 -4.110 1.00 10.00 H new ATOM 0 HE2 HIS A 43 7.936 13.798 -4.898 1.00 10.00 H new ATOM 390 N LEU A 44 5.205 6.847 -4.746 1.00 10.00 N ATOM 391 CA LEU A 44 4.901 5.433 -4.918 1.00 10.00 C ATOM 392 C LEU A 44 5.946 4.767 -5.810 1.00 10.00 C ATOM 393 O LEU A 44 5.950 3.549 -5.980 1.00 10.00 O ATOM 394 CB LEU A 44 3.490 5.248 -5.486 1.00 10.00 C ATOM 395 CG LEU A 44 2.359 5.572 -4.504 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.018 5.607 -5.217 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.330 4.560 -3.369 1.00 10.00 C ATOM 0 H LEU A 44 4.569 7.480 -5.231 1.00 10.00 H new ATOM 0 HA LEU A 44 4.933 4.950 -3.941 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.381 5.881 -6.367 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.379 4.216 -5.820 1.00 10.00 H new ATOM 0 HG LEU A 44 2.548 6.559 -4.083 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.231 5.839 -4.500 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.039 6.372 -5.993 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.821 4.635 -5.670 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.520 4.807 -2.682 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.169 3.562 -3.776 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.280 4.585 -2.835 1.00 10.00 H new ATOM 409 N LYS A 45 6.833 5.587 -6.364 1.00 10.00 N ATOM 410 CA LYS A 45 7.919 5.114 -7.209 1.00 10.00 C ATOM 411 C LYS A 45 8.770 4.108 -6.440 1.00 10.00 C ATOM 412 O LYS A 45 8.984 2.981 -6.889 1.00 10.00 O ATOM 413 CB LYS A 45 8.786 6.300 -7.644 1.00 10.00 C ATOM 414 CG LYS A 45 10.046 5.906 -8.395 1.00 10.00 C ATOM 415 CD LYS A 45 9.743 5.541 -9.834 1.00 10.00 C ATOM 416 CE LYS A 45 10.960 4.961 -10.529 1.00 10.00 C ATOM 417 NZ LYS A 45 10.729 4.794 -11.985 1.00 10.00 N ATOM 0 H LYS A 45 6.817 6.599 -6.238 1.00 10.00 H new ATOM 0 HA LYS A 45 7.503 4.629 -8.092 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.190 6.959 -8.276 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.067 6.874 -6.761 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.759 6.730 -8.370 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.519 5.060 -7.896 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.927 4.818 -9.863 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.404 6.427 -10.371 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.817 5.615 -10.369 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.207 3.996 -10.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.593 4.427 -12.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.948 4.124 -12.138 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.484 5.713 -12.405 1.00 10.00 H new ATOM 431 N LYS A 46 9.213 4.527 -5.257 1.00 10.00 N ATOM 432 CA LYS A 46 10.041 3.697 -4.389 1.00 10.00 C ATOM 433 C LYS A 46 9.307 2.419 -3.988 1.00 10.00 C ATOM 434 O LYS A 46 9.913 1.359 -3.835 1.00 10.00 O ATOM 435 CB LYS A 46 10.431 4.492 -3.137 1.00 10.00 C ATOM 436 CG LYS A 46 11.279 3.712 -2.144 1.00 10.00 C ATOM 437 CD LYS A 46 12.755 3.774 -2.497 1.00 10.00 C ATOM 438 CE LYS A 46 13.373 5.106 -2.099 1.00 10.00 C ATOM 439 NZ LYS A 46 13.497 5.256 -0.624 1.00 10.00 N ATOM 0 H LYS A 46 9.008 5.450 -4.875 1.00 10.00 H new ATOM 0 HA LYS A 46 10.940 3.413 -4.937 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.977 5.385 -3.442 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.523 4.829 -2.637 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.127 4.113 -1.142 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.953 2.672 -2.124 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.284 2.963 -1.996 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.880 3.621 -3.569 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.359 5.196 -2.555 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.763 5.919 -2.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.154 6.033 -0.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.564 5.468 -0.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.860 4.372 -0.214 1.00 10.00 H new ATOM 453 N LEU A 47 7.996 2.527 -3.835 1.00 10.00 N ATOM 454 CA LEU A 47 7.173 1.389 -3.441 1.00 10.00 C ATOM 455 C LEU A 47 7.089 0.355 -4.559 1.00 10.00 C ATOM 456 O LEU A 47 7.242 -0.844 -4.322 1.00 10.00 O ATOM 457 CB LEU A 47 5.761 1.857 -3.059 1.00 10.00 C ATOM 458 CG LEU A 47 5.597 2.398 -1.633 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.097 1.391 -0.614 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.313 3.731 -1.466 1.00 10.00 C ATOM 0 H LEU A 47 7.476 3.393 -3.978 1.00 10.00 H new ATOM 0 HA LEU A 47 7.644 0.922 -2.576 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.455 2.634 -3.759 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.074 1.021 -3.191 1.00 10.00 H new ATOM 0 HG LEU A 47 4.534 2.563 -1.459 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.971 1.796 0.390 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.527 0.466 -0.706 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.153 1.186 -0.793 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.180 4.090 -0.446 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.376 3.601 -1.669 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.897 4.458 -2.164 1.00 10.00 H new ATOM 472 N LYS A 48 6.867 0.830 -5.777 1.00 10.00 N ATOM 473 CA LYS A 48 6.740 -0.048 -6.934 1.00 10.00 C ATOM 474 C LYS A 48 8.010 -0.859 -7.178 1.00 10.00 C ATOM 475 O LYS A 48 7.945 -2.072 -7.381 1.00 10.00 O ATOM 476 CB LYS A 48 6.385 0.763 -8.184 1.00 10.00 C ATOM 477 CG LYS A 48 5.020 1.432 -8.111 1.00 10.00 C ATOM 478 CD LYS A 48 4.710 2.218 -9.374 1.00 10.00 C ATOM 479 CE LYS A 48 4.361 1.302 -10.536 1.00 10.00 C ATOM 480 NZ LYS A 48 4.030 2.069 -11.764 1.00 10.00 N ATOM 0 H LYS A 48 6.771 1.823 -5.991 1.00 10.00 H new ATOM 0 HA LYS A 48 5.935 -0.751 -6.720 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.147 1.527 -8.339 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.412 0.105 -9.053 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.252 0.675 -7.956 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.988 2.100 -7.250 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.879 2.898 -9.185 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.570 2.832 -9.641 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.200 0.636 -10.739 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.514 0.673 -10.261 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 3.897 1.411 -12.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.154 2.608 -11.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.807 2.725 -11.984 1.00 10.00 H new ATOM 494 N GLU A 49 9.162 -0.200 -7.147 1.00 10.00 N ATOM 495 CA GLU A 49 10.427 -0.888 -7.389 1.00 10.00 C ATOM 496 C GLU A 49 10.762 -1.861 -6.262 1.00 10.00 C ATOM 497 O GLU A 49 11.176 -2.992 -6.518 1.00 10.00 O ATOM 498 CB GLU A 49 11.568 0.115 -7.596 1.00 10.00 C ATOM 499 CG GLU A 49 11.600 1.246 -6.581 1.00 10.00 C ATOM 500 CD GLU A 49 12.644 2.290 -6.914 1.00 10.00 C ATOM 501 OE1 GLU A 49 12.320 3.252 -7.643 1.00 10.00 O ATOM 502 OE2 GLU A 49 13.791 2.153 -6.452 1.00 10.00 O ATOM 0 H GLU A 49 9.248 0.799 -6.959 1.00 10.00 H new ATOM 0 HA GLU A 49 10.311 -1.468 -8.304 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.517 -0.419 -7.557 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.484 0.542 -8.595 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.619 1.719 -6.536 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.802 0.837 -5.591 1.00 10.00 H new ATOM 509 N SER A 50 10.556 -1.432 -5.020 1.00 10.00 N ATOM 510 CA SER A 50 10.846 -2.276 -3.866 1.00 10.00 C ATOM 511 C SER A 50 9.973 -3.532 -3.866 1.00 10.00 C ATOM 512 O SER A 50 10.413 -4.604 -3.447 1.00 10.00 O ATOM 513 CB SER A 50 10.650 -1.489 -2.568 1.00 10.00 C ATOM 514 OG SER A 50 11.506 -0.356 -2.523 1.00 10.00 O ATOM 0 H SER A 50 10.191 -0.508 -4.788 1.00 10.00 H new ATOM 0 HA SER A 50 11.887 -2.591 -3.932 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.612 -1.168 -2.487 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.851 -2.135 -1.713 1.00 10.00 H new ATOM 0 HG SER A 50 11.141 0.352 -3.094 1.00 10.00 H new ATOM 520 N TYR A 51 8.740 -3.400 -4.345 1.00 10.00 N ATOM 521 CA TYR A 51 7.828 -4.534 -4.403 1.00 10.00 C ATOM 522 C TYR A 51 8.334 -5.569 -5.402 1.00 10.00 C ATOM 523 O TYR A 51 8.243 -6.774 -5.160 1.00 10.00 O ATOM 524 CB TYR A 51 6.419 -4.078 -4.784 1.00 10.00 C ATOM 525 CG TYR A 51 5.349 -5.108 -4.483 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.735 -5.155 -3.238 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.953 -6.035 -5.443 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.759 -6.092 -2.957 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.978 -6.973 -5.170 1.00 10.00 C ATOM 530 CZ TYR A 51 3.385 -6.999 -3.926 1.00 10.00 C ATOM 531 OH TYR A 51 2.415 -7.934 -3.648 1.00 10.00 O ATOM 0 H TYR A 51 8.352 -2.524 -4.696 1.00 10.00 H new ATOM 0 HA TYR A 51 7.786 -4.990 -3.414 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.187 -3.157 -4.249 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.397 -3.843 -5.848 1.00 10.00 H new ATOM 0 HD1 TYR A 51 5.025 -4.447 -2.476 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.417 -6.020 -6.418 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.292 -6.114 -1.984 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.681 -7.683 -5.928 1.00 10.00 H new ATOM 0 HH TYR A 51 2.735 -8.824 -3.904 1.00 10.00 H new ATOM 541 N CYS A 52 8.877 -5.091 -6.516 1.00 10.00 N ATOM 542 CA CYS A 52 9.412 -5.975 -7.544 1.00 10.00 C ATOM 543 C CYS A 52 10.588 -6.769 -6.983 1.00 10.00 C ATOM 544 O CYS A 52 10.715 -7.968 -7.221 1.00 10.00 O ATOM 545 CB CYS A 52 9.854 -5.168 -8.769 1.00 10.00 C ATOM 546 SG CYS A 52 8.573 -4.083 -9.448 1.00 10.00 S ATOM 0 H CYS A 52 8.958 -4.097 -6.730 1.00 10.00 H new ATOM 0 HA CYS A 52 8.629 -6.668 -7.853 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.720 -4.564 -8.498 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.178 -5.859 -9.547 1.00 10.00 H new ATOM 0 HG CYS A 52 8.426 -3.049 -8.674 1.00 10.00 H new ATOM 552 N GLN A 53 11.429 -6.089 -6.208 1.00 10.00 N ATOM 553 CA GLN A 53 12.592 -6.716 -5.590 1.00 10.00 C ATOM 554 C GLN A 53 12.152 -7.784 -4.596 1.00 10.00 C ATOM 555 O GLN A 53 12.786 -8.829 -4.469 1.00 10.00 O ATOM 556 CB GLN A 53 13.437 -5.671 -4.865 1.00 10.00 C ATOM 557 CG GLN A 53 13.876 -4.514 -5.745 1.00 10.00 C ATOM 558 CD GLN A 53 14.460 -3.369 -4.943 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.086 -3.150 -3.791 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.380 -2.630 -5.543 1.00 10.00 N ATOM 0 H GLN A 53 11.325 -5.097 -5.993 1.00 10.00 H new ATOM 0 HA GLN A 53 13.188 -7.178 -6.377 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.867 -5.278 -4.023 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.321 -6.156 -4.452 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.617 -4.867 -6.462 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.023 -4.154 -6.320 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.663 -2.845 -6.499 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.806 -1.846 -5.049 1.00 10.00 H new ATOM 569 N ARG A 54 11.051 -7.507 -3.901 1.00 10.00 N ATOM 570 CA ARG A 54 10.503 -8.427 -2.912 1.00 10.00 C ATOM 571 C ARG A 54 10.070 -9.737 -3.569 1.00 10.00 C ATOM 572 O ARG A 54 10.135 -10.805 -2.957 1.00 10.00 O ATOM 573 CB ARG A 54 9.313 -7.777 -2.199 1.00 10.00 C ATOM 574 CG ARG A 54 8.804 -8.561 -1.000 1.00 10.00 C ATOM 575 CD ARG A 54 9.858 -8.663 0.085 1.00 10.00 C ATOM 576 NE ARG A 54 9.292 -9.077 1.366 1.00 10.00 N ATOM 577 CZ ARG A 54 9.966 -9.053 2.512 1.00 10.00 C ATOM 578 NH1 ARG A 54 11.235 -8.667 2.526 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.370 -9.423 3.637 1.00 10.00 N ATOM 0 H ARG A 54 10.518 -6.644 -4.008 1.00 10.00 H new ATOM 0 HA ARG A 54 11.280 -8.652 -2.182 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.601 -6.778 -1.871 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.498 -7.655 -2.913 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.913 -8.077 -0.599 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.508 -9.561 -1.317 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.623 -9.377 -0.220 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.351 -7.698 0.202 1.00 10.00 H new ATOM 0 HE ARG A 54 8.326 -9.403 1.383 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.693 -8.389 1.658 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.753 -8.648 3.405 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.396 -9.725 3.623 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.886 -9.405 4.517 1.00 10.00 H new ATOM 593 N GLN A 55 9.624 -9.648 -4.815 1.00 10.00 N ATOM 594 CA GLN A 55 9.191 -10.825 -5.552 1.00 10.00 C ATOM 595 C GLN A 55 10.361 -11.450 -6.307 1.00 10.00 C ATOM 596 O GLN A 55 10.400 -12.661 -6.513 1.00 10.00 O ATOM 597 CB GLN A 55 8.066 -10.464 -6.523 1.00 10.00 C ATOM 598 CG GLN A 55 6.725 -10.234 -5.845 1.00 10.00 C ATOM 599 CD GLN A 55 6.298 -11.411 -4.988 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.569 -11.452 -3.790 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.635 -12.379 -5.600 1.00 10.00 N ATOM 0 H GLN A 55 9.553 -8.773 -5.335 1.00 10.00 H new ATOM 0 HA GLN A 55 8.813 -11.555 -4.836 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.345 -9.564 -7.071 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.960 -11.264 -7.256 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.784 -9.340 -5.225 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.965 -10.047 -6.604 1.00 10.00 H new ATOM 0 HE21 GLN A 55 5.430 -12.306 -6.597 1.00 10.00 H new ATOM 0 HE22 GLN A 55 5.329 -13.198 -5.075 1.00 10.00 H new ATOM 610 N GLY A 56 11.305 -10.615 -6.725 1.00 10.00 N ATOM 611 CA GLY A 56 12.469 -11.099 -7.450 1.00 10.00 C ATOM 612 C GLY A 56 12.415 -10.747 -8.922 1.00 10.00 C ATOM 613 O GLY A 56 13.435 -10.736 -9.609 1.00 10.00 O ATOM 0 H GLY A 56 11.286 -9.606 -6.575 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.371 -10.674 -7.010 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.539 -12.181 -7.340 1.00 10.00 H new ATOM 617 N VAL A 57 11.219 -10.453 -9.401 1.00 10.00 N ATOM 618 CA VAL A 57 11.017 -10.100 -10.798 1.00 10.00 C ATOM 619 C VAL A 57 11.457 -8.661 -11.056 1.00 10.00 C ATOM 620 O VAL A 57 11.501 -7.849 -10.130 1.00 10.00 O ATOM 621 CB VAL A 57 9.538 -10.273 -11.210 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.199 -11.746 -11.381 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.612 -9.628 -10.184 1.00 10.00 C ATOM 0 H VAL A 57 10.367 -10.452 -8.840 1.00 10.00 H new ATOM 0 HA VAL A 57 11.626 -10.775 -11.400 1.00 10.00 H new ATOM 0 HB VAL A 57 9.391 -9.772 -12.167 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.153 -11.847 -11.671 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.834 -12.178 -12.155 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.367 -12.270 -10.440 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.576 -9.762 -10.494 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.763 -10.097 -9.212 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.834 -8.563 -10.112 1.00 10.00 H new ATOM 633 N PRO A 58 11.816 -8.329 -12.310 1.00 10.00 N ATOM 634 CA PRO A 58 12.243 -6.972 -12.675 1.00 10.00 C ATOM 635 C PRO A 58 11.136 -5.948 -12.449 1.00 10.00 C ATOM 636 O PRO A 58 9.979 -6.310 -12.226 1.00 10.00 O ATOM 637 CB PRO A 58 12.583 -7.082 -14.166 1.00 10.00 C ATOM 638 CG PRO A 58 11.881 -8.307 -14.638 1.00 10.00 C ATOM 639 CD PRO A 58 11.846 -9.243 -13.465 1.00 10.00 C ATOM 0 HA PRO A 58 13.081 -6.630 -12.068 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.247 -6.201 -14.712 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.659 -7.161 -14.320 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.873 -8.072 -14.979 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.406 -8.757 -15.481 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.969 -9.889 -13.491 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.720 -9.893 -13.442 1.00 10.00 H new ATOM 647 N MET A 59 11.481 -4.674 -12.510 1.00 10.00 N ATOM 648 CA MET A 59 10.504 -3.623 -12.288 1.00 10.00 C ATOM 649 C MET A 59 9.509 -3.533 -13.442 1.00 10.00 C ATOM 650 O MET A 59 9.842 -3.840 -14.586 1.00 10.00 O ATOM 651 CB MET A 59 11.195 -2.274 -12.084 1.00 10.00 C ATOM 652 CG MET A 59 10.262 -1.205 -11.536 1.00 10.00 C ATOM 653 SD MET A 59 11.104 0.337 -11.142 1.00 10.00 S ATOM 654 CE MET A 59 9.731 1.304 -10.511 1.00 10.00 C ATOM 0 H MET A 59 12.425 -4.343 -12.710 1.00 10.00 H new ATOM 0 HA MET A 59 9.952 -3.877 -11.383 1.00 10.00 H new ATOM 0 HB2 MET A 59 12.034 -2.402 -11.400 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.607 -1.936 -13.035 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.478 -1.007 -12.267 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.773 -1.584 -10.639 1.00 10.00 H new ATOM 0 HE1 MET A 59 10.112 2.116 -9.892 1.00 10.00 H new ATOM 0 HE2 MET A 59 9.164 1.719 -11.345 1.00 10.00 H new ATOM 0 HE3 MET A 59 9.081 0.666 -9.912 1.00 10.00 H new ATOM 664 N ASN A 60 8.280 -3.142 -13.101 1.00 10.00 N ATOM 665 CA ASN A 60 7.184 -2.964 -14.063 1.00 10.00 C ATOM 666 C ASN A 60 6.630 -4.292 -14.569 1.00 10.00 C ATOM 667 O ASN A 60 5.793 -4.315 -15.471 1.00 10.00 O ATOM 668 CB ASN A 60 7.608 -2.092 -15.246 1.00 10.00 C ATOM 669 CG ASN A 60 6.511 -1.134 -15.672 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.470 0.014 -15.232 1.00 10.00 O ATOM 671 ND2 ASN A 60 5.604 -1.604 -16.514 1.00 10.00 N ATOM 0 H ASN A 60 8.012 -2.937 -12.139 1.00 10.00 H new ATOM 0 HA ASN A 60 6.388 -2.455 -13.520 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.499 -1.525 -14.977 1.00 10.00 H new ATOM 0 HB3 ASN A 60 7.878 -2.730 -16.087 1.00 10.00 H new ATOM 0 HD21 ASN A 60 4.835 -1.008 -16.821 1.00 10.00 H new ATOM 0 HD22 ASN A 60 5.674 -2.562 -16.856 1.00 10.00 H new ATOM 678 N SER A 61 7.088 -5.394 -13.996 1.00 10.00 N ATOM 679 CA SER A 61 6.591 -6.703 -14.389 1.00 10.00 C ATOM 680 C SER A 61 5.219 -6.914 -13.769 1.00 10.00 C ATOM 681 O SER A 61 4.392 -7.676 -14.275 1.00 10.00 O ATOM 682 CB SER A 61 7.551 -7.802 -13.936 1.00 10.00 C ATOM 683 OG SER A 61 7.823 -7.690 -12.551 1.00 10.00 O ATOM 0 H SER A 61 7.797 -5.409 -13.263 1.00 10.00 H new ATOM 0 HA SER A 61 6.516 -6.750 -15.475 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.119 -8.780 -14.149 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.481 -7.735 -14.501 1.00 10.00 H new ATOM 0 HG SER A 61 8.462 -6.963 -12.401 1.00 10.00 H new ATOM 689 N LEU A 62 4.990 -6.210 -12.670 1.00 10.00 N ATOM 690 CA LEU A 62 3.737 -6.281 -11.949 1.00 10.00 C ATOM 691 C LEU A 62 3.033 -4.933 -12.007 1.00 10.00 C ATOM 692 O LEU A 62 3.648 -3.892 -11.768 1.00 10.00 O ATOM 693 CB LEU A 62 3.986 -6.678 -10.493 1.00 10.00 C ATOM 694 CG LEU A 62 4.758 -7.985 -10.294 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.121 -8.171 -8.830 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.944 -9.171 -10.795 1.00 10.00 C ATOM 0 H LEU A 62 5.672 -5.574 -12.256 1.00 10.00 H new ATOM 0 HA LEU A 62 3.104 -7.037 -12.414 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.534 -5.873 -10.003 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.024 -6.763 -9.987 1.00 10.00 H new ATOM 0 HG LEU A 62 5.679 -7.931 -10.875 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.669 -9.105 -8.707 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.743 -7.339 -8.501 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.211 -8.203 -8.231 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.510 -10.090 -10.645 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.006 -9.228 -10.243 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.733 -9.045 -11.857 1.00 10.00 H new ATOM 708 N ARG A 63 1.752 -4.957 -12.333 1.00 10.00 N ATOM 709 CA ARG A 63 0.963 -3.740 -12.424 1.00 10.00 C ATOM 710 C ARG A 63 0.117 -3.561 -11.172 1.00 10.00 C ATOM 711 O ARG A 63 -0.572 -4.485 -10.733 1.00 10.00 O ATOM 712 CB ARG A 63 0.065 -3.758 -13.668 1.00 10.00 C ATOM 713 CG ARG A 63 -0.854 -4.968 -13.756 1.00 10.00 C ATOM 714 CD ARG A 63 -1.748 -4.902 -14.983 1.00 10.00 C ATOM 715 NE ARG A 63 -2.634 -6.062 -15.080 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.635 -6.927 -16.097 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.807 -6.770 -17.124 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.477 -7.949 -16.086 1.00 10.00 N ATOM 0 H ARG A 63 1.234 -5.811 -12.540 1.00 10.00 H new ATOM 0 HA ARG A 63 1.651 -2.899 -12.510 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.542 -2.853 -13.677 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.695 -3.728 -14.557 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.256 -5.879 -13.789 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.470 -5.024 -12.859 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.346 -3.991 -14.947 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.130 -4.842 -15.879 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.295 -6.221 -14.320 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.160 -5.981 -17.142 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -1.818 -7.438 -17.895 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.120 -8.072 -15.304 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.483 -8.613 -16.860 1.00 10.00 H new ATOM 732 N PHE A 64 0.192 -2.374 -10.595 1.00 10.00 N ATOM 733 CA PHE A 64 -0.568 -2.053 -9.398 1.00 10.00 C ATOM 734 C PHE A 64 -1.908 -1.443 -9.780 1.00 10.00 C ATOM 735 O PHE A 64 -1.957 -0.400 -10.428 1.00 10.00 O ATOM 736 CB PHE A 64 0.215 -1.086 -8.508 1.00 10.00 C ATOM 737 CG PHE A 64 1.338 -1.735 -7.755 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.607 -1.808 -8.304 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.123 -2.273 -6.496 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.642 -2.403 -7.612 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.155 -2.869 -5.799 1.00 10.00 C ATOM 742 CZ PHE A 64 3.415 -2.934 -6.358 1.00 10.00 C ATOM 0 H PHE A 64 0.776 -1.611 -10.939 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.742 -2.973 -8.840 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.619 -0.284 -9.126 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.470 -0.626 -7.796 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.789 -1.395 -9.285 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.138 -2.226 -6.056 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.628 -2.453 -8.051 1.00 10.00 H new ATOM 0 HE2 PHE A 64 1.976 -3.284 -4.818 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.223 -3.400 -5.815 1.00 10.00 H new ATOM 752 N LEU A 65 -2.980 -2.101 -9.386 1.00 10.00 N ATOM 753 CA LEU A 65 -4.320 -1.631 -9.687 1.00 10.00 C ATOM 754 C LEU A 65 -5.001 -1.119 -8.428 1.00 10.00 C ATOM 755 O LEU A 65 -5.145 -1.846 -7.443 1.00 10.00 O ATOM 756 CB LEU A 65 -5.152 -2.750 -10.316 1.00 10.00 C ATOM 757 CG LEU A 65 -4.706 -3.200 -11.709 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.516 -4.406 -12.160 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.846 -2.062 -12.710 1.00 10.00 C ATOM 0 H LEU A 65 -2.949 -2.970 -8.852 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.241 -0.810 -10.400 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.130 -3.613 -9.650 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.189 -2.419 -10.375 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.655 -3.486 -11.659 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.187 -4.714 -13.152 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.369 -5.226 -11.458 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.573 -4.142 -12.194 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.524 -2.402 -13.694 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.888 -1.746 -12.758 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.226 -1.222 -12.395 1.00 10.00 H new ATOM 771 N PHE A 66 -5.394 0.139 -8.463 1.00 10.00 N ATOM 772 CA PHE A 66 -6.068 0.766 -7.345 1.00 10.00 C ATOM 773 C PHE A 66 -7.330 1.459 -7.833 1.00 10.00 C ATOM 774 O PHE A 66 -7.258 2.432 -8.586 1.00 10.00 O ATOM 775 CB PHE A 66 -5.138 1.774 -6.663 1.00 10.00 C ATOM 776 CG PHE A 66 -5.705 2.370 -5.404 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.840 1.604 -4.259 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.095 3.700 -5.365 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.359 2.149 -3.099 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.615 4.251 -4.210 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.746 3.475 -3.075 1.00 10.00 C ATOM 0 H PHE A 66 -5.255 0.753 -9.265 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.340 0.001 -6.618 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.194 1.282 -6.428 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.912 2.577 -7.364 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.536 0.568 -4.272 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -5.991 4.313 -6.248 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.462 1.539 -2.213 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.919 5.287 -4.194 1.00 10.00 H new ATOM 0 HZ PHE A 66 -7.150 3.904 -2.170 1.00 10.00 H new ATOM 791 N GLU A 67 -8.481 0.916 -7.444 1.00 10.00 N ATOM 792 CA GLU A 67 -9.780 1.472 -7.824 1.00 10.00 C ATOM 793 C GLU A 67 -10.018 1.343 -9.327 1.00 10.00 C ATOM 794 O GLU A 67 -10.799 2.093 -9.912 1.00 10.00 O ATOM 795 CB GLU A 67 -9.892 2.939 -7.389 1.00 10.00 C ATOM 796 CG GLU A 67 -10.711 3.142 -6.125 1.00 10.00 C ATOM 797 CD GLU A 67 -12.203 3.085 -6.385 1.00 10.00 C ATOM 798 OE1 GLU A 67 -12.755 1.968 -6.473 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.831 4.157 -6.512 1.00 10.00 O ATOM 0 H GLU A 67 -8.541 0.082 -6.859 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.550 0.898 -7.309 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.890 3.339 -7.230 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.341 3.515 -8.198 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -10.443 2.378 -5.396 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.459 4.106 -5.683 1.00 10.00 H new ATOM 806 N GLY A 68 -9.335 0.386 -9.947 1.00 10.00 N ATOM 807 CA GLY A 68 -9.490 0.160 -11.374 1.00 10.00 C ATOM 808 C GLY A 68 -8.446 0.876 -12.206 1.00 10.00 C ATOM 809 O GLY A 68 -8.354 0.660 -13.413 1.00 10.00 O ATOM 0 H GLY A 68 -8.675 -0.239 -9.485 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.434 -0.910 -11.574 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.482 0.491 -11.683 1.00 10.00 H new ATOM 813 N GLN A 69 -7.658 1.726 -11.567 1.00 10.00 N ATOM 814 CA GLN A 69 -6.624 2.473 -12.268 1.00 10.00 C ATOM 815 C GLN A 69 -5.241 1.965 -11.885 1.00 10.00 C ATOM 816 O GLN A 69 -5.012 1.574 -10.740 1.00 10.00 O ATOM 817 CB GLN A 69 -6.738 3.964 -11.948 1.00 10.00 C ATOM 818 CG GLN A 69 -7.954 4.627 -12.572 1.00 10.00 C ATOM 819 CD GLN A 69 -8.201 6.021 -12.028 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.928 6.305 -10.860 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.725 6.899 -12.865 1.00 10.00 N ATOM 0 H GLN A 69 -7.714 1.916 -10.566 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.764 2.327 -13.339 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.779 4.093 -10.866 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.839 4.472 -12.296 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -7.820 4.681 -13.652 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.833 4.009 -12.391 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -8.937 6.625 -13.824 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.917 7.850 -12.552 1.00 10.00 H new ATOM 830 N ARG A 70 -4.327 1.958 -12.843 1.00 10.00 N ATOM 831 CA ARG A 70 -2.970 1.502 -12.581 1.00 10.00 C ATOM 832 C ARG A 70 -2.133 2.632 -11.993 1.00 10.00 C ATOM 833 O ARG A 70 -2.164 3.767 -12.475 1.00 10.00 O ATOM 834 CB ARG A 70 -2.319 0.948 -13.855 1.00 10.00 C ATOM 835 CG ARG A 70 -2.190 1.960 -14.984 1.00 10.00 C ATOM 836 CD ARG A 70 -1.808 1.292 -16.293 1.00 10.00 C ATOM 837 NE ARG A 70 -0.420 0.826 -16.292 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.021 -0.349 -16.784 1.00 10.00 C ATOM 839 NH1 ARG A 70 -0.905 -1.220 -17.253 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.266 -0.662 -16.792 1.00 10.00 N ATOM 0 H ARG A 70 -4.498 2.260 -13.802 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.018 0.693 -11.852 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.327 0.570 -13.607 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -2.905 0.099 -14.209 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.134 2.490 -15.108 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.438 2.704 -14.722 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.473 0.448 -16.476 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.953 1.995 -17.113 1.00 10.00 H new ATOM 0 HE ARG A 70 0.288 1.439 -15.889 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -1.900 -0.994 -17.240 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.590 -2.115 -17.627 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.953 -0.005 -16.422 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.570 -1.560 -17.168 1.00 10.00 H new ATOM 854 N ILE A 71 -1.399 2.315 -10.940 1.00 10.00 N ATOM 855 CA ILE A 71 -0.554 3.288 -10.267 1.00 10.00 C ATOM 856 C ILE A 71 0.661 3.638 -11.123 1.00 10.00 C ATOM 857 O ILE A 71 1.416 2.757 -11.540 1.00 10.00 O ATOM 858 CB ILE A 71 -0.078 2.758 -8.896 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.278 2.467 -7.987 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.871 3.746 -8.230 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.179 3.663 -7.766 1.00 10.00 C ATOM 0 H ILE A 71 -1.371 1.382 -10.529 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.153 4.185 -10.111 1.00 10.00 H new ATOM 0 HB ILE A 71 0.465 1.827 -9.062 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.864 1.657 -8.422 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.914 2.114 -7.022 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.192 3.350 -7.267 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.742 3.900 -8.867 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.359 4.697 -8.079 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -3.005 3.381 -7.113 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.609 4.467 -7.302 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.573 4.004 -8.724 1.00 10.00 H new ATOM 873 N ALA A 72 0.839 4.926 -11.381 1.00 10.00 N ATOM 874 CA ALA A 72 1.958 5.407 -12.173 1.00 10.00 C ATOM 875 C ALA A 72 3.204 5.522 -11.303 1.00 10.00 C ATOM 876 O ALA A 72 3.121 5.453 -10.078 1.00 10.00 O ATOM 877 CB ALA A 72 1.619 6.749 -12.806 1.00 10.00 C ATOM 0 H ALA A 72 0.215 5.661 -11.049 1.00 10.00 H new ATOM 0 HA ALA A 72 2.158 4.693 -12.972 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.466 7.097 -13.396 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.748 6.637 -13.452 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.399 7.475 -12.023 1.00 10.00 H new ATOM 883 N ASP A 73 4.355 5.695 -11.932 1.00 10.00 N ATOM 884 CA ASP A 73 5.611 5.810 -11.197 1.00 10.00 C ATOM 885 C ASP A 73 5.719 7.173 -10.524 1.00 10.00 C ATOM 886 O ASP A 73 6.400 7.331 -9.514 1.00 10.00 O ATOM 887 CB ASP A 73 6.801 5.587 -12.131 1.00 10.00 C ATOM 888 CG ASP A 73 7.111 4.117 -12.341 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.168 3.335 -12.593 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.299 3.739 -12.257 1.00 10.00 O ATOM 0 H ASP A 73 4.449 5.759 -12.946 1.00 10.00 H new ATOM 0 HA ASP A 73 5.624 5.041 -10.425 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.594 6.052 -13.095 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.679 6.084 -11.719 1.00 10.00 H new ATOM 895 N ASN A 74 5.023 8.149 -11.085 1.00 10.00 N ATOM 896 CA ASN A 74 5.030 9.507 -10.553 1.00 10.00 C ATOM 897 C ASN A 74 3.830 9.745 -9.640 1.00 10.00 C ATOM 898 O ASN A 74 3.521 10.886 -9.297 1.00 10.00 O ATOM 899 CB ASN A 74 5.015 10.521 -11.702 1.00 10.00 C ATOM 900 CG ASN A 74 3.887 10.269 -12.687 1.00 10.00 C ATOM 901 OD1 ASN A 74 4.043 9.506 -13.643 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.745 10.905 -12.473 1.00 10.00 N ATOM 0 H ASN A 74 4.442 8.027 -11.914 1.00 10.00 H new ATOM 0 HA ASN A 74 5.940 9.636 -9.966 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.918 11.527 -11.293 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.968 10.482 -12.229 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.959 10.771 -13.110 1.00 10.00 H new ATOM 0 HD22 ASN A 74 2.651 11.529 -11.672 1.00 10.00 H new ATOM 909 N HIS A 75 3.159 8.672 -9.248 1.00 10.00 N ATOM 910 CA HIS A 75 1.990 8.781 -8.385 1.00 10.00 C ATOM 911 C HIS A 75 2.392 8.833 -6.915 1.00 10.00 C ATOM 912 O HIS A 75 3.443 8.319 -6.522 1.00 10.00 O ATOM 913 CB HIS A 75 1.032 7.608 -8.620 1.00 10.00 C ATOM 914 CG HIS A 75 -0.022 7.876 -9.654 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.852 6.877 -10.105 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.352 9.036 -10.275 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.664 7.445 -10.980 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.398 8.753 -11.115 1.00 10.00 N ATOM 0 H HIS A 75 3.402 7.717 -9.513 1.00 10.00 H new ATOM 0 HA HIS A 75 1.481 9.711 -8.637 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.610 6.736 -8.924 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.546 7.356 -7.678 1.00 10.00 H new ATOM 0 HD2 HIS A 75 0.119 9.998 -10.135 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.442 6.923 -11.517 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.882 9.411 -11.726 1.00 10.00 H new ATOM 926 N THR A 76 1.555 9.472 -6.115 1.00 10.00 N ATOM 927 CA THR A 76 1.790 9.597 -4.686 1.00 10.00 C ATOM 928 C THR A 76 0.591 9.053 -3.911 1.00 10.00 C ATOM 929 O THR A 76 -0.517 9.015 -4.440 1.00 10.00 O ATOM 930 CB THR A 76 2.019 11.069 -4.292 1.00 10.00 C ATOM 931 OG1 THR A 76 0.948 11.881 -4.789 1.00 10.00 O ATOM 932 CG2 THR A 76 3.344 11.585 -4.834 1.00 10.00 C ATOM 0 H THR A 76 0.696 9.918 -6.436 1.00 10.00 H new ATOM 0 HA THR A 76 2.683 9.023 -4.440 1.00 10.00 H new ATOM 0 HB THR A 76 2.048 11.125 -3.204 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.919 11.822 -5.767 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.477 12.626 -4.540 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.160 10.986 -4.430 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.345 11.513 -5.922 1.00 10.00 H new ATOM 940 N PRO A 77 0.789 8.621 -2.657 1.00 10.00 N ATOM 941 CA PRO A 77 -0.303 8.093 -1.831 1.00 10.00 C ATOM 942 C PRO A 77 -1.275 9.188 -1.390 1.00 10.00 C ATOM 943 O PRO A 77 -2.355 8.909 -0.868 1.00 10.00 O ATOM 944 CB PRO A 77 0.423 7.494 -0.621 1.00 10.00 C ATOM 945 CG PRO A 77 1.716 8.230 -0.541 1.00 10.00 C ATOM 946 CD PRO A 77 2.085 8.589 -1.954 1.00 10.00 C ATOM 0 HA PRO A 77 -0.915 7.372 -2.373 1.00 10.00 H new ATOM 0 HB2 PRO A 77 -0.160 7.621 0.291 1.00 10.00 H new ATOM 0 HB3 PRO A 77 0.586 6.424 -0.749 1.00 10.00 H new ATOM 0 HG2 PRO A 77 1.617 9.124 0.074 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.488 7.612 -0.083 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.591 9.553 -2.003 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.759 7.853 -2.391 1.00 10.00 H new ATOM 954 N LYS A 78 -0.879 10.436 -1.616 1.00 10.00 N ATOM 955 CA LYS A 78 -1.694 11.584 -1.246 1.00 10.00 C ATOM 956 C LYS A 78 -2.821 11.785 -2.258 1.00 10.00 C ATOM 957 O LYS A 78 -3.903 12.261 -1.911 1.00 10.00 O ATOM 958 CB LYS A 78 -0.809 12.836 -1.140 1.00 10.00 C ATOM 959 CG LYS A 78 -1.564 14.127 -0.834 1.00 10.00 C ATOM 960 CD LYS A 78 -2.411 14.019 0.430 1.00 10.00 C ATOM 961 CE LYS A 78 -1.563 13.849 1.681 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.403 13.780 2.909 1.00 10.00 N ATOM 0 H LYS A 78 0.008 10.678 -2.057 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.151 11.403 -0.273 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.065 12.673 -0.361 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.267 12.962 -2.077 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.851 14.944 -0.722 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.206 14.378 -1.678 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.026 14.913 0.530 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.091 13.173 0.337 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.967 12.940 1.596 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.865 14.682 1.764 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.791 13.664 3.742 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.953 14.657 3.003 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.052 12.970 2.841 1.00 10.00 H new ATOM 976 N GLU A 79 -2.574 11.404 -3.504 1.00 10.00 N ATOM 977 CA GLU A 79 -3.582 11.536 -4.545 1.00 10.00 C ATOM 978 C GLU A 79 -4.377 10.243 -4.652 1.00 10.00 C ATOM 979 O GLU A 79 -4.060 9.264 -3.971 1.00 10.00 O ATOM 980 CB GLU A 79 -2.942 11.893 -5.892 1.00 10.00 C ATOM 981 CG GLU A 79 -2.032 10.814 -6.454 1.00 10.00 C ATOM 982 CD GLU A 79 -1.109 11.341 -7.529 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.594 11.640 -8.641 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.102 11.472 -7.262 1.00 10.00 O ATOM 0 H GLU A 79 -1.690 11.003 -3.817 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.257 12.349 -4.277 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.732 12.099 -6.614 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.368 12.813 -5.777 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.438 10.387 -5.646 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.640 10.007 -6.864 1.00 10.00 H new ATOM 991 N LEU A 80 -5.414 10.252 -5.494 1.00 10.00 N ATOM 992 CA LEU A 80 -6.286 9.088 -5.701 1.00 10.00 C ATOM 993 C LEU A 80 -7.197 8.865 -4.496 1.00 10.00 C ATOM 994 O LEU A 80 -8.421 8.849 -4.624 1.00 10.00 O ATOM 995 CB LEU A 80 -5.472 7.820 -5.989 1.00 10.00 C ATOM 996 CG LEU A 80 -4.829 7.759 -7.376 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.462 7.101 -7.300 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.727 7.003 -8.343 1.00 10.00 C ATOM 0 H LEU A 80 -5.674 11.065 -6.052 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.905 9.300 -6.573 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.687 7.733 -5.238 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.124 6.954 -5.870 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.702 8.778 -7.743 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.019 7.066 -8.295 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.817 7.677 -6.636 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.567 6.087 -6.914 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.256 6.968 -9.325 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.881 5.987 -7.978 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.688 7.511 -8.419 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.595 8.711 -3.327 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.354 8.494 -2.117 1.00 10.00 C ATOM 1012 C GLY A 81 -6.901 7.255 -1.382 1.00 10.00 C ATOM 1013 O GLY A 81 -7.645 6.280 -1.281 1.00 10.00 O ATOM 0 H GLY A 81 -5.584 8.733 -3.196 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.252 9.361 -1.464 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.412 8.403 -2.363 1.00 10.00 H new ATOM 1017 N MET A 82 -5.676 7.284 -0.878 1.00 10.00 N ATOM 1018 CA MET A 82 -5.129 6.153 -0.145 1.00 10.00 C ATOM 1019 C MET A 82 -5.182 6.417 1.353 1.00 10.00 C ATOM 1020 O MET A 82 -4.833 7.507 1.814 1.00 10.00 O ATOM 1021 CB MET A 82 -3.691 5.865 -0.574 1.00 10.00 C ATOM 1022 CG MET A 82 -3.587 5.232 -1.952 1.00 10.00 C ATOM 1023 SD MET A 82 -1.903 4.740 -2.370 1.00 10.00 S ATOM 1024 CE MET A 82 -2.176 3.942 -3.950 1.00 10.00 C ATOM 0 H MET A 82 -5.042 8.079 -0.963 1.00 10.00 H new ATOM 0 HA MET A 82 -5.737 5.278 -0.374 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.124 6.796 -0.566 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.227 5.203 0.158 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.237 4.358 -1.995 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.951 5.937 -2.699 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.226 3.580 -4.344 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.859 3.102 -3.820 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.610 4.657 -4.649 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.633 5.427 2.102 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.740 5.543 3.546 1.00 10.00 C ATOM 1036 C GLU A 83 -5.284 4.257 4.227 1.00 10.00 C ATOM 1037 O GLU A 83 -4.903 3.294 3.562 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.187 5.856 3.927 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.354 7.183 4.643 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.881 7.123 6.077 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -5.680 7.340 6.325 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -7.708 6.844 6.967 1.00 10.00 O ATOM 0 H GLU A 83 -5.934 4.526 1.730 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.093 6.353 3.882 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.799 5.860 3.025 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.566 5.058 4.565 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -6.796 7.954 4.111 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.404 7.476 4.621 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.310 4.254 5.552 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.919 3.084 6.321 1.00 10.00 C ATOM 1051 C GLU A 84 -5.919 1.956 6.096 1.00 10.00 C ATOM 1052 O GLU A 84 -7.121 2.206 5.938 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.830 3.445 7.809 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.549 2.264 8.729 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.279 1.519 8.370 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.182 2.083 8.538 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -3.377 0.356 7.934 1.00 10.00 O ATOM 0 H GLU A 84 -5.599 5.052 6.117 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.938 2.744 5.989 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.045 4.189 7.943 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.767 3.912 8.113 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.476 2.621 9.756 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.391 1.573 8.691 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.408 0.726 6.057 1.00 10.00 N ATOM 1065 CA GLU A 85 -6.224 -0.467 5.861 1.00 10.00 C ATOM 1066 C GLU A 85 -6.770 -0.550 4.441 1.00 10.00 C ATOM 1067 O GLU A 85 -7.769 -1.227 4.192 1.00 10.00 O ATOM 1068 CB GLU A 85 -7.368 -0.514 6.874 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.994 -1.216 8.163 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.829 -2.703 7.970 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -5.691 -3.199 8.091 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -7.840 -3.380 7.698 1.00 10.00 O ATOM 0 H GLU A 85 -4.412 0.530 6.161 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.579 -1.331 6.020 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.686 0.504 7.101 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.222 -1.022 6.425 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -6.065 -0.795 8.549 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.763 -1.031 8.913 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.111 0.133 3.514 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.529 0.122 2.119 1.00 10.00 C ATOM 1081 C ASP A 86 -6.072 -1.157 1.441 1.00 10.00 C ATOM 1082 O ASP A 86 -5.076 -1.765 1.846 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.965 1.328 1.369 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.049 2.228 0.817 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.103 1.711 0.383 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -6.854 3.455 0.810 1.00 10.00 O ATOM 0 H ASP A 86 -5.285 0.701 3.703 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.618 0.174 2.096 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.327 1.903 2.040 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.335 0.980 0.551 1.00 10.00 H new ATOM 1091 N VAL A 87 -6.796 -1.562 0.415 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.471 -2.773 -0.318 1.00 10.00 C ATOM 1093 C VAL A 87 -6.093 -2.440 -1.753 1.00 10.00 C ATOM 1094 O VAL A 87 -6.816 -1.727 -2.447 1.00 10.00 O ATOM 1095 CB VAL A 87 -7.652 -3.770 -0.318 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.320 -5.013 -1.133 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.030 -4.156 1.102 1.00 10.00 C ATOM 0 H VAL A 87 -7.618 -1.068 0.068 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.624 -3.240 0.185 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.505 -3.275 -0.783 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.169 -5.697 -1.116 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.106 -4.727 -2.163 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -6.448 -5.506 -0.705 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -8.863 -4.858 1.079 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.176 -4.623 1.592 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.323 -3.264 1.656 1.00 10.00 H new ATOM 1107 N ILE A 88 -4.952 -2.942 -2.190 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.491 -2.708 -3.545 1.00 10.00 C ATOM 1109 C ILE A 88 -4.231 -4.046 -4.231 1.00 10.00 C ATOM 1110 O ILE A 88 -3.811 -5.011 -3.588 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.227 -1.809 -3.576 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.852 -1.453 -5.019 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.058 -2.483 -2.866 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.887 -0.293 -5.126 1.00 10.00 C ATOM 0 H ILE A 88 -4.327 -3.516 -1.624 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.270 -2.172 -4.088 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.457 -0.886 -3.043 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.410 -2.327 -5.497 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.760 -1.212 -5.572 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.185 -1.831 -2.903 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.325 -2.674 -1.827 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.827 -3.427 -3.360 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.667 -0.098 -6.176 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.334 0.595 -4.678 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.964 -0.538 -4.601 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.511 -4.114 -5.523 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.327 -5.344 -6.274 1.00 10.00 C ATOM 1128 C GLU A 89 -3.096 -5.257 -7.165 1.00 10.00 C ATOM 1129 O GLU A 89 -2.774 -4.194 -7.694 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.572 -5.630 -7.116 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.863 -5.602 -6.308 1.00 10.00 C ATOM 1132 CD GLU A 89 -8.097 -5.786 -7.164 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.540 -6.942 -7.329 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.635 -4.775 -7.668 1.00 10.00 O ATOM 0 H GLU A 89 -4.866 -3.332 -6.073 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.177 -6.161 -5.569 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.637 -4.895 -7.918 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.467 -6.607 -7.587 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.830 -6.387 -5.553 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.933 -4.652 -5.777 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.405 -6.374 -7.323 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.214 -6.416 -8.152 1.00 10.00 C ATOM 1143 C VAL A 90 -1.227 -7.664 -9.032 1.00 10.00 C ATOM 1144 O VAL A 90 -1.473 -8.773 -8.556 1.00 10.00 O ATOM 1145 CB VAL A 90 0.076 -6.367 -7.296 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.158 -7.555 -6.345 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.309 -6.301 -8.185 1.00 10.00 C ATOM 0 H VAL A 90 -2.649 -7.263 -6.888 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.219 -5.533 -8.791 1.00 10.00 H new ATOM 0 HB VAL A 90 0.039 -5.461 -6.691 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.075 -7.490 -5.759 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.702 -7.545 -5.675 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.159 -8.481 -6.919 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.204 -6.267 -7.564 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.344 -7.183 -8.824 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.263 -5.405 -8.804 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.001 -7.472 -10.324 1.00 10.00 N ATOM 1158 CA TYR A 91 -0.995 -8.579 -11.270 1.00 10.00 C ATOM 1159 C TYR A 91 0.185 -8.461 -12.220 1.00 10.00 C ATOM 1160 O TYR A 91 0.833 -7.422 -12.280 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.308 -8.618 -12.055 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.494 -9.006 -11.201 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.778 -10.341 -10.943 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.318 -8.038 -10.639 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.853 -10.698 -10.153 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.393 -8.388 -9.851 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.655 -9.719 -9.608 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.724 -10.071 -8.822 1.00 10.00 O ATOM 0 H TYR A 91 -0.819 -6.559 -10.741 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.897 -9.509 -10.711 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.490 -7.638 -12.497 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.212 -9.326 -12.878 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.149 -11.111 -11.366 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.112 -6.994 -10.823 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.064 -11.740 -9.963 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.027 -7.623 -9.426 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.185 -9.262 -8.516 1.00 10.00 H new ATOM 1178 N GLN A 92 0.455 -9.520 -12.961 1.00 10.00 N ATOM 1179 CA GLN A 92 1.571 -9.533 -13.894 1.00 10.00 C ATOM 1180 C GLN A 92 1.188 -8.884 -15.218 1.00 10.00 C ATOM 1181 O GLN A 92 0.120 -9.160 -15.769 1.00 10.00 O ATOM 1182 CB GLN A 92 2.033 -10.969 -14.131 1.00 10.00 C ATOM 1183 CG GLN A 92 3.355 -11.074 -14.872 1.00 10.00 C ATOM 1184 CD GLN A 92 3.487 -12.387 -15.612 1.00 10.00 C ATOM 1185 OE1 GLN A 92 3.932 -13.388 -15.052 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.089 -12.396 -16.870 1.00 10.00 N ATOM 0 H GLN A 92 -0.084 -10.386 -12.936 1.00 10.00 H new ATOM 0 HA GLN A 92 2.387 -8.957 -13.458 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.125 -11.474 -13.170 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.267 -11.498 -14.697 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.441 -10.249 -15.579 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.177 -10.973 -14.163 1.00 10.00 H new ATOM 0 HE21 GLN A 92 2.726 -11.543 -17.296 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.144 -13.256 -17.416 1.00 10.00 H new ATOM 1195 N GLU A 93 2.062 -8.020 -15.719 1.00 10.00 N ATOM 1196 CA GLU A 93 1.829 -7.336 -16.981 1.00 10.00 C ATOM 1197 C GLU A 93 2.029 -8.293 -18.148 1.00 10.00 C ATOM 1198 O GLU A 93 2.805 -9.247 -18.054 1.00 10.00 O ATOM 1199 CB GLU A 93 2.770 -6.137 -17.128 1.00 10.00 C ATOM 1200 CG GLU A 93 2.223 -4.858 -16.520 1.00 10.00 C ATOM 1201 CD GLU A 93 1.106 -4.252 -17.344 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.059 -4.911 -17.512 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.269 -3.110 -17.821 1.00 10.00 O ATOM 0 H GLU A 93 2.943 -7.777 -15.266 1.00 10.00 H new ATOM 0 HA GLU A 93 0.800 -6.977 -16.987 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.724 -6.374 -16.657 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.970 -5.970 -18.186 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.856 -5.066 -15.515 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.031 -4.133 -16.421 1.00 10.00 H new ATOM 1210 N GLN A 94 1.342 -8.024 -19.248 1.00 10.00 N ATOM 1211 CA GLN A 94 1.439 -8.866 -20.435 1.00 10.00 C ATOM 1212 C GLN A 94 2.806 -8.711 -21.099 1.00 10.00 C ATOM 1213 O GLN A 94 3.212 -9.542 -21.909 1.00 10.00 O ATOM 1214 CB GLN A 94 0.328 -8.515 -21.424 1.00 10.00 C ATOM 1215 CG GLN A 94 -0.036 -9.659 -22.359 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.139 -9.296 -23.329 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.266 -8.144 -23.742 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.945 -10.276 -23.701 1.00 10.00 N ATOM 0 H GLN A 94 0.710 -7.229 -19.345 1.00 10.00 H new ATOM 0 HA GLN A 94 1.323 -9.906 -20.128 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.560 -8.214 -20.869 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.639 -7.656 -22.018 1.00 10.00 H new ATOM 0 HG2 GLN A 94 0.849 -9.960 -22.919 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.347 -10.520 -21.768 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.805 -11.218 -23.335 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.706 -10.090 -24.354 1.00 10.00 H new ATOM 1227 N THR A 95 3.511 -7.644 -20.749 1.00 10.00 N ATOM 1228 CA THR A 95 4.831 -7.388 -21.302 1.00 10.00 C ATOM 1229 C THR A 95 5.875 -8.283 -20.639 1.00 10.00 C ATOM 1230 O THR A 95 6.919 -8.584 -21.220 1.00 10.00 O ATOM 1231 CB THR A 95 5.228 -5.917 -21.100 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.957 -5.525 -19.748 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.473 -5.008 -22.059 1.00 10.00 C ATOM 0 H THR A 95 3.189 -6.941 -20.083 1.00 10.00 H new ATOM 0 HA THR A 95 4.792 -7.608 -22.369 1.00 10.00 H new ATOM 0 HB THR A 95 6.294 -5.819 -21.305 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.213 -4.587 -19.622 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.774 -3.974 -21.893 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.702 -5.292 -23.086 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.401 -5.106 -21.886 1.00 10.00 H new ATOM 1241 N GLY A 96 5.578 -8.710 -19.416 1.00 10.00 N ATOM 1242 CA GLY A 96 6.492 -9.554 -18.675 1.00 10.00 C ATOM 1243 C GLY A 96 7.532 -8.744 -17.930 1.00 10.00 C ATOM 1244 O GLY A 96 8.348 -9.296 -17.188 1.00 10.00 O ATOM 0 H GLY A 96 4.714 -8.484 -18.924 1.00 10.00 H new ATOM 0 HA2 GLY A 96 5.930 -10.163 -17.966 1.00 10.00 H new ATOM 0 HA3 GLY A 96 6.989 -10.240 -19.361 1.00 10.00 H new ATOM 1248 N GLY A 97 7.496 -7.432 -18.130 1.00 10.00 N ATOM 1249 CA GLY A 97 8.434 -6.544 -17.486 1.00 10.00 C ATOM 1250 C GLY A 97 8.490 -5.205 -18.184 1.00 10.00 C ATOM 1251 O GLY A 97 9.526 -4.516 -18.082 1.00 10.00 O ATOM 0 H GLY A 97 6.822 -6.966 -18.737 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.147 -6.402 -16.444 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.425 -6.997 -17.484 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.654 -16.110 5.477 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.083 -15.931 6.837 1.00 10.00 C ATOM 1258 C ASN B 357 -2.562 -15.880 6.777 1.00 10.00 C ATOM 1259 O ASN B 357 -1.876 -16.440 7.628 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.537 -17.060 7.774 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.261 -16.738 9.236 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -4.394 -15.600 9.673 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -3.857 -17.743 9.998 1.00 10.00 N ATOM 0 HA ASN B 357 -4.450 -14.984 7.234 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.604 -17.237 7.638 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.024 -17.983 7.504 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.645 -17.583 10.983 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -3.758 -18.677 9.600 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.034 -15.230 5.753 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.592 -15.099 5.608 1.00 10.00 C ATOM 1272 C ASN B 358 -0.245 -13.628 5.565 1.00 10.00 C ATOM 1273 O ASN B 358 -0.738 -12.904 4.701 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.141 -15.768 4.308 1.00 10.00 C ATOM 1275 CG ASN B 358 1.370 -15.816 4.146 1.00 10.00 C ATOM 1276 OD1 ASN B 358 2.123 -15.720 5.116 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.824 -15.979 2.908 1.00 10.00 N ATOM 0 H ASN B 358 -2.578 -14.787 5.013 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.089 -15.579 6.447 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.535 -16.784 4.275 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.573 -15.231 3.463 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.828 -16.029 2.735 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.168 -16.055 2.130 1.00 10.00 H new ATOM 1284 N ARG B 359 0.597 -13.177 6.473 1.00 10.00 N ATOM 1285 CA ARG B 359 0.978 -11.780 6.470 1.00 10.00 C ATOM 1286 C ARG B 359 2.483 -11.601 6.436 1.00 10.00 C ATOM 1287 O ARG B 359 3.215 -12.191 7.229 1.00 10.00 O ATOM 1288 CB ARG B 359 0.355 -11.018 7.650 1.00 10.00 C ATOM 1289 CG ARG B 359 0.913 -11.365 9.025 1.00 10.00 C ATOM 1290 CD ARG B 359 0.560 -10.283 10.036 1.00 10.00 C ATOM 1291 NE ARG B 359 0.944 -10.638 11.397 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.055 -9.757 12.389 1.00 10.00 C ATOM 1293 NH1 ARG B 359 0.820 -8.471 12.162 1.00 10.00 N ATOM 1294 NH2 ARG B 359 1.397 -10.164 13.605 1.00 10.00 N ATOM 0 H ARG B 359 1.022 -13.743 7.207 1.00 10.00 H new ATOM 0 HA ARG B 359 0.580 -11.349 5.551 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.490 -9.950 7.482 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.719 -11.206 7.655 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.512 -12.323 9.355 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.996 -11.476 8.966 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.054 -9.353 9.754 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -0.513 -10.096 10.003 1.00 10.00 H new ATOM 0 HE ARG B 359 1.139 -11.618 11.601 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.555 -8.158 11.228 1.00 10.00 H new ATOM 0 HH12 ARG B 359 0.905 -7.795 12.921 1.00 10.00 H new ATOM 0 HH21 ARG B 359 1.575 -11.153 13.781 1.00 10.00 H new ATOM 0 HH22 ARG B 359 1.482 -9.488 14.364 1.00 10.00 H new ATOM 1308 N ASP B 360 2.932 -10.792 5.500 1.00 10.00 N ATOM 1309 CA ASP B 360 4.339 -10.471 5.368 1.00 10.00 C ATOM 1310 C ASP B 360 4.461 -8.965 5.514 1.00 10.00 C ATOM 1311 O ASP B 360 3.727 -8.231 4.856 1.00 10.00 O ATOM 1312 CB ASP B 360 4.902 -10.934 4.020 1.00 10.00 C ATOM 1313 CG ASP B 360 6.378 -10.616 3.869 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.769 -10.011 2.848 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.161 -10.973 4.774 1.00 10.00 O ATOM 0 H ASP B 360 2.334 -10.338 4.810 1.00 10.00 H new ATOM 0 HA ASP B 360 4.917 -10.989 6.133 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.752 -12.009 3.917 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.346 -10.456 3.214 1.00 10.00 H new ATOM 1320 N PRO B 361 5.373 -8.465 6.354 1.00 10.00 N ATOM 1321 CA PRO B 361 5.510 -7.044 6.558 1.00 10.00 C ATOM 1322 C PRO B 361 6.776 -6.466 5.930 1.00 10.00 C ATOM 1323 O PRO B 361 7.889 -6.955 6.132 1.00 10.00 O ATOM 1324 CB PRO B 361 5.593 -6.980 8.092 1.00 10.00 C ATOM 1325 CG PRO B 361 6.150 -8.314 8.526 1.00 10.00 C ATOM 1326 CD PRO B 361 6.214 -9.199 7.301 1.00 10.00 C ATOM 0 HA PRO B 361 4.705 -6.467 6.104 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.237 -6.163 8.416 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.611 -6.804 8.530 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.141 -8.192 8.963 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.517 -8.763 9.291 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.234 -9.317 6.935 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.829 -10.199 7.499 1.00 10.00 H new ATOM 1334 N ILE B 362 6.564 -5.416 5.155 1.00 10.00 N ATOM 1335 CA ILE B 362 7.627 -4.723 4.447 1.00 10.00 C ATOM 1336 C ILE B 362 7.694 -3.280 4.909 1.00 10.00 C ATOM 1337 O ILE B 362 6.664 -2.628 5.091 1.00 10.00 O ATOM 1338 CB ILE B 362 7.429 -4.750 2.917 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.837 -6.088 2.469 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.754 -4.487 2.209 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.379 -6.090 1.028 1.00 10.00 C ATOM 0 H ILE B 362 5.639 -5.016 4.998 1.00 10.00 H new ATOM 0 HA ILE B 362 8.557 -5.244 4.675 1.00 10.00 H new ATOM 0 HB ILE B 362 6.726 -3.962 2.647 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.583 -6.871 2.606 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.992 -6.336 3.111 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.601 -4.509 1.130 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.135 -3.509 2.502 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.475 -5.255 2.489 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.970 -7.069 0.777 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.610 -5.330 0.889 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.226 -5.873 0.377 1.00 10.00 H new ATOM 1353 N VAL B 363 8.899 -2.788 5.124 1.00 10.00 N ATOM 1354 CA VAL B 363 9.100 -1.424 5.574 1.00 10.00 C ATOM 1355 C VAL B 363 9.788 -0.623 4.481 1.00 10.00 C ATOM 1356 O VAL B 363 10.744 -1.084 3.856 1.00 10.00 O ATOM 1357 CB VAL B 363 9.929 -1.358 6.874 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.073 0.078 7.364 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.295 -2.221 7.951 1.00 10.00 C ATOM 0 H VAL B 363 9.761 -3.318 4.993 1.00 10.00 H new ATOM 0 HA VAL B 363 8.120 -0.997 5.789 1.00 10.00 H new ATOM 0 HB VAL B 363 10.926 -1.742 6.656 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.662 0.092 8.281 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.575 0.674 6.602 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.086 0.496 7.560 1.00 10.00 H new ATOM 0 HG21 VAL B 363 9.892 -2.164 8.861 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.286 -1.864 8.156 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.252 -3.255 7.610 1.00 10.00 H new ATOM 1369 N ILE B 364 9.276 0.571 4.264 1.00 10.00 N ATOM 1370 CA ILE B 364 9.749 1.466 3.225 1.00 10.00 C ATOM 1371 C ILE B 364 10.405 2.694 3.835 1.00 10.00 C ATOM 1372 O ILE B 364 9.988 3.186 4.890 1.00 10.00 O ATOM 1373 CB ILE B 364 8.619 1.890 2.256 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.215 2.271 0.899 1.00 10.00 C ATOM 1375 CG2 ILE B 364 7.789 3.047 2.823 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.836 1.104 0.157 1.00 10.00 C ATOM 0 H ILE B 364 8.507 0.954 4.813 1.00 10.00 H new ATOM 0 HA ILE B 364 10.488 0.916 2.643 1.00 10.00 H new ATOM 0 HB ILE B 364 7.947 1.041 2.129 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.433 2.710 0.279 1.00 10.00 H new ATOM 0 HG13 ILE B 364 9.973 3.040 1.048 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.006 3.315 2.113 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.335 2.741 3.766 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.435 3.908 2.994 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.237 1.450 -0.795 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.641 0.678 0.757 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.077 0.343 -0.024 1.00 10.00 H new HETATM 1388 N SEP B 365 11.449 3.170 3.180 1.00 10.00 N HETATM 1389 CA SEP B 365 12.206 4.303 3.663 1.00 10.00 C HETATM 1390 CB SEP B 365 13.709 4.027 3.569 1.00 10.00 C HETATM 1391 OG SEP B 365 14.188 4.229 2.247 1.00 10.00 O HETATM 1392 C SEP B 365 11.847 5.518 2.833 1.00 10.00 C HETATM 1393 O SEP B 365 11.701 5.451 1.610 1.00 10.00 O HETATM 1394 P SEP B 365 14.871 3.031 1.442 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.886 2.286 2.216 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.311 3.403 0.082 1.00 10.00 O HETATM 1397 O3P SEP B 365 13.689 1.979 1.199 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.245 4.681 4.256 1.00 10.00 H new HETATM 0 HB2 SEP B 365 13.913 3.002 3.880 1.00 10.00 H new HETATM 0 HA SEP B 365 11.961 4.482 4.710 1.00 10.00 H new HETATM 0 H SEP B 365 11.934 2.340 2.841 1.00 10.00 H new ATOM 1402 N ASP B 366 11.647 6.615 3.533 1.00 10.00 N ATOM 1403 CA ASP B 366 11.222 7.852 2.927 1.00 10.00 C ATOM 1404 C ASP B 366 12.312 8.895 3.028 1.00 10.00 C ATOM 1405 O ASP B 366 12.891 9.116 4.096 1.00 10.00 O ATOM 1406 CB ASP B 366 9.957 8.316 3.651 1.00 10.00 C ATOM 1407 CG ASP B 366 9.693 9.804 3.542 1.00 10.00 C ATOM 1408 OD1 ASP B 366 9.860 10.514 4.560 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.275 10.254 2.458 1.00 10.00 O ATOM 0 H ASP B 366 11.776 6.670 4.543 1.00 10.00 H new ATOM 0 HA ASP B 366 11.014 7.703 1.867 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.101 7.775 3.247 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.035 8.048 4.705 1.00 10.00 H new HETATM 1414 N SEP B 367 12.612 9.494 1.889 1.00 10.00 N HETATM 1415 CA SEP B 367 13.635 10.512 1.786 1.00 10.00 C HETATM 1416 CB SEP B 367 13.883 10.847 0.315 1.00 10.00 C HETATM 1417 OG SEP B 367 14.742 9.891 -0.292 1.00 10.00 O HETATM 1418 C SEP B 367 13.249 11.766 2.560 1.00 10.00 C HETATM 1419 O SEP B 367 12.249 12.416 2.242 1.00 10.00 O HETATM 1420 P SEP B 367 14.145 8.576 -0.985 1.00 10.00 P HETATM 1421 O1P SEP B 367 12.791 8.205 -0.534 1.00 10.00 O HETATM 1422 O2P SEP B 367 14.307 8.547 -2.450 1.00 10.00 O HETATM 1423 O3P SEP B 367 15.076 7.386 -0.463 1.00 10.00 O HETATM 0 HB3 SEP B 367 12.933 10.877 -0.219 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.325 11.840 0.235 1.00 10.00 H new HETATM 0 HA SEP B 367 14.553 10.122 2.226 1.00 10.00 H new HETATM 0 H SEP B 367 12.180 9.118 1.045 1.00 10.00 H new ATOM 1428 N PRO B 368 14.038 12.119 3.590 1.00 10.00 N ATOM 1429 CA PRO B 368 13.781 13.303 4.410 1.00 10.00 C ATOM 1430 C PRO B 368 13.887 14.581 3.589 1.00 10.00 C ATOM 1431 O PRO B 368 12.934 15.383 3.615 1.00 10.00 O ATOM 1432 CB PRO B 368 14.874 13.252 5.490 1.00 10.00 C ATOM 1433 CG PRO B 368 15.937 12.371 4.934 1.00 10.00 C ATOM 1434 CD PRO B 368 15.242 11.389 4.033 1.00 10.00 C ATOM 0 HA PRO B 368 12.774 13.306 4.828 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.261 14.248 5.704 1.00 10.00 H new ATOM 0 HB3 PRO B 368 14.483 12.854 6.426 1.00 10.00 H new ATOM 0 HG2 PRO B 368 16.674 12.953 4.380 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.472 11.856 5.732 1.00 10.00 H new ATOM 0 HD2 PRO B 368 15.871 11.103 3.190 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.983 10.472 4.563 1.00 10.00 H new TER 1442 PRO B 368