USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HD1:sc= 1.06 K(o=1.4,f=-7.5!) USER MOD Set 1.2: B 199 CYS SG : rot -9:sc= 0.339 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= 1.42 (180deg=-0.227!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.06) USER MOD Single : A 29 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.31) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -77:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 168:sc= -0.0297 (180deg=-0.273) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 171:sc= -2.83! USER MOD Single : A 43 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-0.065) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 1.44 (180deg=1.25) USER MOD Single : A 50 SER OG : rot 68:sc= 1.19 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.172 USER MOD Single : A 52 CYS SG : rot 69:sc= 1.15 USER MOD Single : A 53 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.6!) USER MOD Single : A 55 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 59 MET CE :methyl -133:sc= -0.195 (180deg=-0.591) USER MOD Single : A 60 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.1) USER MOD Single : A 61 SER OG : rot -112:sc= 1.33 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 74 ASN : amide:sc= -0.0727 K(o=-0.073,f=-0.73) USER MOD Single : A 75 HIS : no HD1:sc= 0.723 K(o=0.72,f=-6!) USER MOD Single : A 76 THR OG1 : rot -61:sc= 1.1 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 151:sc= 1.26 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.106 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.409 -6.282 -0.355 1.00 10.00 N ATOM 2 CA TYR A 21 12.001 -5.958 -0.539 1.00 10.00 C ATOM 3 C TYR A 21 11.209 -6.291 0.717 1.00 10.00 C ATOM 4 O TYR A 21 11.548 -7.220 1.445 1.00 10.00 O ATOM 5 CB TYR A 21 11.428 -6.721 -1.734 1.00 10.00 C ATOM 6 CG TYR A 21 11.839 -6.149 -3.070 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.998 -5.292 -3.766 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.069 -6.464 -3.634 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.371 -4.765 -4.987 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.448 -5.941 -4.854 1.00 10.00 C ATOM 11 CZ TYR A 21 12.597 -5.093 -5.527 1.00 10.00 C ATOM 12 OH TYR A 21 12.976 -4.569 -6.741 1.00 10.00 O ATOM 0 HA TYR A 21 11.920 -4.888 -0.733 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.750 -7.761 -1.679 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.340 -6.720 -1.667 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.037 -5.033 -3.346 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.739 -7.129 -3.110 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.706 -4.099 -5.516 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.408 -6.196 -5.279 1.00 10.00 H new ATOM 0 HH TYR A 21 13.868 -4.900 -6.976 1.00 10.00 H new ATOM 22 N ILE A 22 10.165 -5.519 0.965 1.00 10.00 N ATOM 23 CA ILE A 22 9.310 -5.716 2.125 1.00 10.00 C ATOM 24 C ILE A 22 7.898 -6.054 1.665 1.00 10.00 C ATOM 25 O ILE A 22 7.218 -5.221 1.064 1.00 10.00 O ATOM 26 CB ILE A 22 9.267 -4.452 3.016 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.681 -4.030 3.437 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.393 -4.688 4.239 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.413 -5.065 4.266 1.00 10.00 C ATOM 0 H ILE A 22 9.886 -4.739 0.370 1.00 10.00 H new ATOM 0 HA ILE A 22 9.722 -6.536 2.713 1.00 10.00 H new ATOM 0 HB ILE A 22 8.831 -3.641 2.432 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.266 -3.816 2.543 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.618 -3.103 4.006 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.376 -3.788 4.853 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.379 -4.930 3.920 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.798 -5.516 4.821 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.404 -4.691 4.523 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.852 -5.263 5.179 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.511 -5.987 3.693 1.00 10.00 H new ATOM 41 N LYS A 23 7.460 -7.273 1.928 1.00 10.00 N ATOM 42 CA LYS A 23 6.132 -7.699 1.515 1.00 10.00 C ATOM 43 C LYS A 23 5.088 -7.369 2.577 1.00 10.00 C ATOM 44 O LYS A 23 5.155 -7.849 3.711 1.00 10.00 O ATOM 45 CB LYS A 23 6.121 -9.197 1.209 1.00 10.00 C ATOM 46 CG LYS A 23 4.808 -9.686 0.618 1.00 10.00 C ATOM 47 CD LYS A 23 4.434 -11.062 1.148 1.00 10.00 C ATOM 48 CE LYS A 23 4.114 -11.024 2.635 1.00 10.00 C ATOM 49 NZ LYS A 23 5.256 -11.490 3.465 1.00 10.00 N ATOM 0 H LYS A 23 8.000 -7.983 2.423 1.00 10.00 H new ATOM 0 HA LYS A 23 5.875 -7.152 0.608 1.00 10.00 H new ATOM 0 HB2 LYS A 23 6.930 -9.424 0.514 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.325 -9.749 2.127 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.015 -8.976 0.855 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.889 -9.723 -0.468 1.00 10.00 H new ATOM 0 HD2 LYS A 23 3.572 -11.441 0.600 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.255 -11.756 0.970 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.849 -10.007 2.922 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.243 -11.649 2.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.903 -12.101 4.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 5.921 -12.026 2.871 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.744 -10.669 3.876 1.00 10.00 H new ATOM 63 N LEU A 24 4.120 -6.552 2.196 1.00 10.00 N ATOM 64 CA LEU A 24 3.051 -6.158 3.097 1.00 10.00 C ATOM 65 C LEU A 24 1.789 -6.948 2.777 1.00 10.00 C ATOM 66 O LEU A 24 1.407 -7.074 1.611 1.00 10.00 O ATOM 67 CB LEU A 24 2.772 -4.657 2.970 1.00 10.00 C ATOM 68 CG LEU A 24 4.009 -3.756 3.011 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.632 -2.323 2.674 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.680 -3.822 4.375 1.00 10.00 C ATOM 0 H LEU A 24 4.053 -6.147 1.262 1.00 10.00 H new ATOM 0 HA LEU A 24 3.359 -6.371 4.121 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.245 -4.480 2.032 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.099 -4.360 3.775 1.00 10.00 H new ATOM 0 HG LEU A 24 4.718 -4.114 2.264 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.522 -1.695 2.707 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.199 -2.286 1.674 1.00 10.00 H new ATOM 0 HD13 LEU A 24 2.904 -1.958 3.398 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.557 -3.174 4.381 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.979 -3.492 5.142 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.986 -4.848 4.581 1.00 10.00 H new ATOM 82 N LYS A 25 1.154 -7.490 3.804 1.00 10.00 N ATOM 83 CA LYS A 25 -0.061 -8.267 3.621 1.00 10.00 C ATOM 84 C LYS A 25 -1.288 -7.367 3.659 1.00 10.00 C ATOM 85 O LYS A 25 -1.658 -6.845 4.714 1.00 10.00 O ATOM 86 CB LYS A 25 -0.179 -9.351 4.698 1.00 10.00 C ATOM 87 CG LYS A 25 0.899 -10.425 4.615 1.00 10.00 C ATOM 88 CD LYS A 25 0.371 -11.784 5.057 1.00 10.00 C ATOM 89 CE LYS A 25 -0.597 -12.359 4.036 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.272 -13.590 4.520 1.00 10.00 N ATOM 0 H LYS A 25 1.460 -7.406 4.773 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.007 -8.746 2.643 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.134 -8.880 5.680 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.157 -9.825 4.617 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.268 -10.493 3.592 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.745 -10.141 5.241 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.205 -12.472 5.199 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.129 -11.686 6.021 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.349 -11.609 3.791 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.058 -12.583 3.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.101 -13.789 3.924 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.610 -14.391 4.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.578 -13.454 5.504 1.00 10.00 H new ATOM 104 N VAL A 26 -1.902 -7.173 2.503 1.00 10.00 N ATOM 105 CA VAL A 26 -3.095 -6.348 2.404 1.00 10.00 C ATOM 106 C VAL A 26 -4.323 -7.242 2.302 1.00 10.00 C ATOM 107 O VAL A 26 -4.675 -7.713 1.220 1.00 10.00 O ATOM 108 CB VAL A 26 -3.053 -5.400 1.184 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.961 -4.200 1.404 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.629 -4.950 0.887 1.00 10.00 C ATOM 0 H VAL A 26 -1.593 -7.576 1.619 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.142 -5.731 3.302 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.418 -5.952 0.318 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.916 -3.546 0.533 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.986 -4.541 1.550 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.632 -3.652 2.287 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.630 -4.284 0.024 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.226 -4.422 1.752 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.010 -5.821 0.672 1.00 10.00 H new ATOM 120 N ILE A 27 -4.953 -7.498 3.438 1.00 10.00 N ATOM 121 CA ILE A 27 -6.133 -8.348 3.479 1.00 10.00 C ATOM 122 C ILE A 27 -7.375 -7.560 3.081 1.00 10.00 C ATOM 123 O ILE A 27 -7.843 -6.695 3.826 1.00 10.00 O ATOM 124 CB ILE A 27 -6.346 -8.963 4.883 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.105 -9.756 5.320 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.582 -9.856 4.899 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.776 -10.930 4.419 1.00 10.00 C ATOM 0 H ILE A 27 -4.667 -7.129 4.345 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.970 -9.158 2.768 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.502 -8.149 5.591 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.248 -9.083 5.350 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.259 -10.122 6.335 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.713 -10.278 5.895 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.460 -9.266 4.636 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.457 -10.663 4.177 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.888 -11.439 4.794 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.615 -11.626 4.407 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.588 -10.571 3.407 1.00 10.00 H new ATOM 139 N GLY A 28 -7.895 -7.853 1.898 1.00 10.00 N ATOM 140 CA GLY A 28 -9.082 -7.174 1.422 1.00 10.00 C ATOM 141 C GLY A 28 -10.327 -7.618 2.164 1.00 10.00 C ATOM 142 O GLY A 28 -10.346 -8.692 2.771 1.00 10.00 O ATOM 0 H GLY A 28 -7.515 -8.550 1.258 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.955 -6.098 1.539 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.207 -7.367 0.356 1.00 10.00 H new ATOM 146 N GLN A 29 -11.370 -6.798 2.114 1.00 10.00 N ATOM 147 CA GLN A 29 -12.632 -7.107 2.782 1.00 10.00 C ATOM 148 C GLN A 29 -13.294 -8.334 2.155 1.00 10.00 C ATOM 149 O GLN A 29 -14.150 -8.976 2.765 1.00 10.00 O ATOM 150 CB GLN A 29 -13.573 -5.899 2.702 1.00 10.00 C ATOM 151 CG GLN A 29 -14.775 -5.979 3.635 1.00 10.00 C ATOM 152 CD GLN A 29 -14.382 -6.017 5.100 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.157 -4.979 5.722 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.313 -7.211 5.669 1.00 10.00 N ATOM 0 H GLN A 29 -11.368 -5.908 1.615 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.424 -7.331 3.828 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.007 -4.996 2.933 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.929 -5.798 1.677 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.423 -5.120 3.460 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.356 -6.870 3.396 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.506 -8.049 5.121 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.066 -7.292 6.655 1.00 10.00 H new ATOM 163 N ASP A 30 -12.875 -8.664 0.938 1.00 10.00 N ATOM 164 CA ASP A 30 -13.417 -9.810 0.216 1.00 10.00 C ATOM 165 C ASP A 30 -12.554 -11.055 0.432 1.00 10.00 C ATOM 166 O ASP A 30 -12.760 -12.081 -0.221 1.00 10.00 O ATOM 167 CB ASP A 30 -13.532 -9.494 -1.279 1.00 10.00 C ATOM 168 CG ASP A 30 -12.185 -9.365 -1.964 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.332 -8.597 -1.470 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.976 -10.021 -3.006 1.00 10.00 O ATOM 0 H ASP A 30 -12.157 -8.150 0.428 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.413 -10.016 0.609 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.108 -10.280 -1.767 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.088 -8.565 -1.406 1.00 10.00 H new ATOM 175 N SER A 31 -11.592 -10.946 1.352 1.00 10.00 N ATOM 176 CA SER A 31 -10.690 -12.047 1.702 1.00 10.00 C ATOM 177 C SER A 31 -9.731 -12.407 0.560 1.00 10.00 C ATOM 178 O SER A 31 -9.454 -13.582 0.311 1.00 10.00 O ATOM 179 CB SER A 31 -11.496 -13.276 2.140 1.00 10.00 C ATOM 180 OG SER A 31 -12.395 -12.939 3.188 1.00 10.00 O ATOM 0 H SER A 31 -11.416 -10.089 1.877 1.00 10.00 H new ATOM 0 HA SER A 31 -10.074 -11.707 2.535 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.052 -13.674 1.291 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.818 -14.062 2.474 1.00 10.00 H new ATOM 0 HG SER A 31 -12.902 -13.735 3.453 1.00 10.00 H new ATOM 186 N SER A 32 -9.213 -11.392 -0.116 1.00 10.00 N ATOM 187 CA SER A 32 -8.270 -11.596 -1.207 1.00 10.00 C ATOM 188 C SER A 32 -6.845 -11.382 -0.702 1.00 10.00 C ATOM 189 O SER A 32 -6.572 -10.418 0.017 1.00 10.00 O ATOM 190 CB SER A 32 -8.586 -10.628 -2.349 1.00 10.00 C ATOM 191 OG SER A 32 -8.857 -9.323 -1.857 1.00 10.00 O ATOM 0 H SER A 32 -9.431 -10.414 0.073 1.00 10.00 H new ATOM 0 HA SER A 32 -8.359 -12.616 -1.580 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.745 -10.591 -3.041 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.445 -10.993 -2.911 1.00 10.00 H new ATOM 0 HG SER A 32 -9.763 -9.296 -1.483 1.00 10.00 H new ATOM 197 N GLU A 33 -5.944 -12.289 -1.059 1.00 10.00 N ATOM 198 CA GLU A 33 -4.556 -12.187 -0.638 1.00 10.00 C ATOM 199 C GLU A 33 -3.775 -11.258 -1.561 1.00 10.00 C ATOM 200 O GLU A 33 -3.379 -11.649 -2.661 1.00 10.00 O ATOM 201 CB GLU A 33 -3.900 -13.567 -0.621 1.00 10.00 C ATOM 202 CG GLU A 33 -4.198 -14.375 0.629 1.00 10.00 C ATOM 203 CD GLU A 33 -3.075 -14.305 1.639 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.242 -13.633 2.676 1.00 10.00 O ATOM 205 OE2 GLU A 33 -2.012 -14.919 1.399 1.00 10.00 O ATOM 0 H GLU A 33 -6.151 -13.102 -1.639 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.541 -11.772 0.370 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.235 -14.128 -1.493 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.821 -13.447 -0.715 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.117 -14.008 1.085 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.372 -15.415 0.354 1.00 10.00 H new ATOM 212 N ILE A 34 -3.577 -10.025 -1.124 1.00 10.00 N ATOM 213 CA ILE A 34 -2.830 -9.053 -1.906 1.00 10.00 C ATOM 214 C ILE A 34 -1.423 -8.907 -1.341 1.00 10.00 C ATOM 215 O ILE A 34 -1.211 -8.240 -0.327 1.00 10.00 O ATOM 216 CB ILE A 34 -3.513 -7.668 -1.925 1.00 10.00 C ATOM 217 CG1 ILE A 34 -5.021 -7.796 -2.173 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.875 -6.778 -2.985 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.376 -8.385 -3.521 1.00 10.00 C ATOM 0 H ILE A 34 -3.923 -9.673 -0.231 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.793 -9.423 -2.930 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.371 -7.209 -0.947 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.456 -8.418 -1.391 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.478 -6.810 -2.087 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.366 -5.805 -2.987 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.816 -6.649 -2.762 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.986 -7.242 -3.965 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.460 -8.442 -3.619 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.973 -7.752 -4.312 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.951 -9.385 -3.604 1.00 10.00 H new ATOM 231 N HIS A 35 -0.466 -9.552 -1.989 1.00 10.00 N ATOM 232 CA HIS A 35 0.921 -9.504 -1.556 1.00 10.00 C ATOM 233 C HIS A 35 1.661 -8.388 -2.281 1.00 10.00 C ATOM 234 O HIS A 35 2.196 -8.585 -3.375 1.00 10.00 O ATOM 235 CB HIS A 35 1.621 -10.845 -1.816 1.00 10.00 C ATOM 236 CG HIS A 35 0.829 -12.045 -1.390 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.473 -13.021 -2.291 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.355 -12.380 -0.165 1.00 10.00 C ATOM 239 CE1 HIS A 35 -0.206 -13.922 -1.601 1.00 10.00 C ATOM 240 NE2 HIS A 35 -0.305 -13.573 -0.311 1.00 10.00 N ATOM 0 H HIS A 35 -0.626 -10.118 -2.822 1.00 10.00 H new ATOM 0 HA HIS A 35 0.935 -9.307 -0.484 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.840 -10.927 -2.881 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.577 -10.850 -1.293 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.474 -11.817 0.749 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.627 -14.823 -2.023 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -0.781 -14.096 0.424 1.00 10.00 H new ATOM 248 N PHE A 36 1.666 -7.212 -1.680 1.00 10.00 N ATOM 249 CA PHE A 36 2.344 -6.068 -2.261 1.00 10.00 C ATOM 250 C PHE A 36 3.723 -5.933 -1.641 1.00 10.00 C ATOM 251 O PHE A 36 3.846 -5.713 -0.436 1.00 10.00 O ATOM 252 CB PHE A 36 1.532 -4.789 -2.031 1.00 10.00 C ATOM 253 CG PHE A 36 1.617 -3.799 -3.159 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.833 -3.491 -3.747 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.472 -3.181 -3.634 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.905 -2.585 -4.787 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.539 -2.271 -4.673 1.00 10.00 C ATOM 258 CZ PHE A 36 1.756 -1.974 -5.250 1.00 10.00 C ATOM 0 H PHE A 36 1.207 -7.024 -0.788 1.00 10.00 H new ATOM 0 HA PHE A 36 2.443 -6.220 -3.336 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.487 -5.057 -1.875 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.878 -4.311 -1.115 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.735 -3.965 -3.388 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.484 -3.412 -3.188 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.859 -2.354 -5.238 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.361 -1.793 -5.032 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.811 -1.265 -6.063 1.00 10.00 H new ATOM 268 N LYS A 37 4.760 -6.082 -2.449 1.00 10.00 N ATOM 269 CA LYS A 37 6.114 -5.974 -1.939 1.00 10.00 C ATOM 270 C LYS A 37 6.731 -4.639 -2.316 1.00 10.00 C ATOM 271 O LYS A 37 6.838 -4.289 -3.492 1.00 10.00 O ATOM 272 CB LYS A 37 6.987 -7.145 -2.406 1.00 10.00 C ATOM 273 CG LYS A 37 6.917 -7.439 -3.896 1.00 10.00 C ATOM 274 CD LYS A 37 7.304 -8.881 -4.192 1.00 10.00 C ATOM 275 CE LYS A 37 8.667 -9.229 -3.612 1.00 10.00 C ATOM 276 NZ LYS A 37 8.928 -10.691 -3.644 1.00 10.00 N ATOM 0 H LYS A 37 4.691 -6.276 -3.448 1.00 10.00 H new ATOM 0 HA LYS A 37 6.063 -6.024 -0.851 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.023 -6.936 -2.140 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.692 -8.040 -1.859 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.907 -7.249 -4.260 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.582 -6.764 -4.434 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.551 -9.552 -3.779 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.316 -9.040 -5.270 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.443 -8.710 -4.174 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.725 -8.873 -2.584 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.866 -10.885 -3.240 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.202 -11.185 -3.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.898 -11.028 -4.628 1.00 10.00 H new ATOM 290 N VAL A 38 7.118 -3.892 -1.295 1.00 10.00 N ATOM 291 CA VAL A 38 7.715 -2.587 -1.482 1.00 10.00 C ATOM 292 C VAL A 38 9.226 -2.651 -1.293 1.00 10.00 C ATOM 293 O VAL A 38 9.785 -3.711 -1.012 1.00 10.00 O ATOM 294 CB VAL A 38 7.114 -1.540 -0.515 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.610 -1.435 -0.717 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.438 -1.877 0.935 1.00 10.00 C ATOM 0 H VAL A 38 7.026 -4.174 -0.319 1.00 10.00 H new ATOM 0 HA VAL A 38 7.494 -2.277 -2.503 1.00 10.00 H new ATOM 0 HB VAL A 38 7.566 -0.574 -0.741 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.201 -0.694 -0.030 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.401 -1.132 -1.743 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.148 -2.403 -0.523 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.002 -1.123 1.590 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.025 -2.855 1.182 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.519 -1.895 1.072 1.00 10.00 H new ATOM 306 N LYS A 39 9.872 -1.512 -1.442 1.00 10.00 N ATOM 307 CA LYS A 39 11.313 -1.408 -1.310 1.00 10.00 C ATOM 308 C LYS A 39 11.640 -0.156 -0.504 1.00 10.00 C ATOM 309 O LYS A 39 10.821 0.757 -0.430 1.00 10.00 O ATOM 310 CB LYS A 39 11.935 -1.344 -2.708 1.00 10.00 C ATOM 311 CG LYS A 39 13.412 -1.678 -2.770 1.00 10.00 C ATOM 312 CD LYS A 39 13.857 -1.882 -4.208 1.00 10.00 C ATOM 313 CE LYS A 39 15.137 -1.125 -4.518 1.00 10.00 C ATOM 314 NZ LYS A 39 15.525 -1.265 -5.943 1.00 10.00 N ATOM 0 H LYS A 39 9.411 -0.628 -1.659 1.00 10.00 H new ATOM 0 HA LYS A 39 11.721 -2.275 -0.790 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.395 -2.030 -3.361 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.788 -0.341 -3.109 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.991 -0.874 -2.316 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.610 -2.580 -2.191 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.010 -2.945 -4.393 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.067 -1.551 -4.883 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.003 -0.070 -4.279 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.942 -1.496 -3.883 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.403 -0.735 -6.117 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.677 -2.270 -6.164 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.767 -0.888 -6.548 1.00 10.00 H new ATOM 328 N MET A 40 12.822 -0.108 0.092 1.00 10.00 N ATOM 329 CA MET A 40 13.214 1.041 0.906 1.00 10.00 C ATOM 330 C MET A 40 13.380 2.307 0.062 1.00 10.00 C ATOM 331 O MET A 40 13.163 3.417 0.546 1.00 10.00 O ATOM 332 CB MET A 40 14.508 0.738 1.661 1.00 10.00 C ATOM 333 CG MET A 40 14.696 1.587 2.909 1.00 10.00 C ATOM 334 SD MET A 40 13.291 1.492 4.041 1.00 10.00 S ATOM 335 CE MET A 40 13.279 -0.256 4.442 1.00 10.00 C ATOM 0 H MET A 40 13.525 -0.845 0.030 1.00 10.00 H new ATOM 0 HA MET A 40 12.413 1.224 1.622 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.517 -0.315 1.943 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.355 0.896 0.993 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.598 1.265 3.429 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.851 2.625 2.616 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.611 -0.431 5.286 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.931 -0.825 3.580 1.00 10.00 H new ATOM 0 HE3 MET A 40 14.287 -0.576 4.705 1.00 10.00 H new ATOM 345 N THR A 41 13.754 2.138 -1.202 1.00 10.00 N ATOM 346 CA THR A 41 13.942 3.275 -2.098 1.00 10.00 C ATOM 347 C THR A 41 12.606 3.790 -2.610 1.00 10.00 C ATOM 348 O THR A 41 12.463 4.967 -2.943 1.00 10.00 O ATOM 349 CB THR A 41 14.830 2.899 -3.315 1.00 10.00 C ATOM 350 OG1 THR A 41 15.713 3.982 -3.633 1.00 10.00 O ATOM 351 CG2 THR A 41 13.994 2.533 -4.553 1.00 10.00 C ATOM 0 H THR A 41 13.932 1.229 -1.628 1.00 10.00 H new ATOM 0 HA THR A 41 14.439 4.054 -1.520 1.00 10.00 H new ATOM 0 HB THR A 41 15.408 2.019 -3.034 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.270 3.735 -4.400 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.659 2.277 -5.378 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.357 1.679 -4.322 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.373 3.383 -4.837 1.00 10.00 H new ATOM 359 N THR A 42 11.634 2.898 -2.643 1.00 10.00 N ATOM 360 CA THR A 42 10.328 3.210 -3.167 1.00 10.00 C ATOM 361 C THR A 42 9.491 4.033 -2.210 1.00 10.00 C ATOM 362 O THR A 42 9.067 3.558 -1.155 1.00 10.00 O ATOM 363 CB THR A 42 9.600 1.916 -3.521 1.00 10.00 C ATOM 364 OG1 THR A 42 10.561 0.951 -3.969 1.00 10.00 O ATOM 365 CG2 THR A 42 8.578 2.149 -4.611 1.00 10.00 C ATOM 0 H THR A 42 11.732 1.940 -2.307 1.00 10.00 H new ATOM 0 HA THR A 42 10.472 3.819 -4.060 1.00 10.00 H new ATOM 0 HB THR A 42 9.079 1.553 -2.635 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.128 0.076 -4.060 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.074 1.211 -4.844 1.00 10.00 H new ATOM 0 HG22 THR A 42 7.845 2.880 -4.272 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.078 2.524 -5.504 1.00 10.00 H new ATOM 373 N HIS A 43 9.267 5.279 -2.594 1.00 10.00 N ATOM 374 CA HIS A 43 8.461 6.185 -1.806 1.00 10.00 C ATOM 375 C HIS A 43 7.014 5.697 -1.838 1.00 10.00 C ATOM 376 O HIS A 43 6.558 5.179 -2.860 1.00 10.00 O ATOM 377 CB HIS A 43 8.527 7.618 -2.355 1.00 10.00 C ATOM 378 CG HIS A 43 9.898 8.128 -2.735 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.030 9.323 -3.402 1.00 10.00 N ATOM 380 CD2 HIS A 43 11.142 7.617 -2.509 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.322 9.513 -3.558 1.00 10.00 C ATOM 382 NE2 HIS A 43 12.030 8.515 -3.025 1.00 10.00 N ATOM 0 H HIS A 43 9.637 5.684 -3.454 1.00 10.00 H new ATOM 0 HA HIS A 43 8.844 6.199 -0.786 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.884 7.678 -3.233 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.107 8.290 -1.607 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.378 6.684 -2.018 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.755 10.369 -4.055 1.00 10.00 H new ATOM 0 HE2 HIS A 43 13.047 8.438 -3.007 1.00 10.00 H new ATOM 390 N LEU A 44 6.283 5.882 -0.746 1.00 10.00 N ATOM 391 CA LEU A 44 4.896 5.426 -0.681 1.00 10.00 C ATOM 392 C LEU A 44 3.988 6.248 -1.592 1.00 10.00 C ATOM 393 O LEU A 44 2.823 5.909 -1.790 1.00 10.00 O ATOM 394 CB LEU A 44 4.374 5.462 0.758 1.00 10.00 C ATOM 395 CG LEU A 44 4.995 4.429 1.706 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.365 4.521 3.086 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.837 3.023 1.144 1.00 10.00 C ATOM 0 H LEU A 44 6.621 6.340 0.100 1.00 10.00 H new ATOM 0 HA LEU A 44 4.880 4.395 -1.033 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.550 6.457 1.166 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.295 5.311 0.739 1.00 10.00 H new ATOM 0 HG LEU A 44 6.059 4.647 1.797 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.819 3.780 3.744 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.529 5.518 3.495 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.294 4.331 3.011 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.284 2.304 1.831 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.778 2.797 1.021 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.336 2.959 0.177 1.00 10.00 H new ATOM 409 N LYS A 45 4.532 7.323 -2.145 1.00 10.00 N ATOM 410 CA LYS A 45 3.789 8.191 -3.049 1.00 10.00 C ATOM 411 C LYS A 45 3.268 7.410 -4.256 1.00 10.00 C ATOM 412 O LYS A 45 2.072 7.428 -4.554 1.00 10.00 O ATOM 413 CB LYS A 45 4.686 9.341 -3.518 1.00 10.00 C ATOM 414 CG LYS A 45 4.071 10.196 -4.613 1.00 10.00 C ATOM 415 CD LYS A 45 2.936 11.053 -4.081 1.00 10.00 C ATOM 416 CE LYS A 45 2.305 11.889 -5.182 1.00 10.00 C ATOM 417 NZ LYS A 45 1.320 12.860 -4.639 1.00 10.00 N ATOM 0 H LYS A 45 5.495 7.617 -1.981 1.00 10.00 H new ATOM 0 HA LYS A 45 2.932 8.595 -2.510 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.921 9.976 -2.664 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.629 8.929 -3.879 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.838 10.836 -5.049 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.700 9.554 -5.412 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.178 10.414 -3.628 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.311 11.708 -3.295 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.084 12.425 -5.723 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.812 11.233 -5.900 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.626 13.100 -5.376 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.829 12.438 -3.825 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.815 13.723 -4.335 1.00 10.00 H new ATOM 431 N LYS A 46 4.170 6.703 -4.930 1.00 10.00 N ATOM 432 CA LYS A 46 3.808 5.930 -6.111 1.00 10.00 C ATOM 433 C LYS A 46 3.008 4.686 -5.735 1.00 10.00 C ATOM 434 O LYS A 46 2.273 4.139 -6.554 1.00 10.00 O ATOM 435 CB LYS A 46 5.065 5.528 -6.883 1.00 10.00 C ATOM 436 CG LYS A 46 4.780 4.893 -8.236 1.00 10.00 C ATOM 437 CD LYS A 46 6.068 4.538 -8.959 1.00 10.00 C ATOM 438 CE LYS A 46 6.101 5.097 -10.366 1.00 10.00 C ATOM 439 NZ LYS A 46 6.476 6.534 -10.363 1.00 10.00 N ATOM 0 H LYS A 46 5.157 6.650 -4.678 1.00 10.00 H new ATOM 0 HA LYS A 46 3.181 6.558 -6.744 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.687 6.411 -7.031 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.643 4.829 -6.279 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.177 3.995 -8.099 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.195 5.580 -8.847 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.918 4.923 -8.396 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.176 3.454 -8.997 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.814 4.533 -10.968 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.123 4.974 -10.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.491 6.891 -11.340 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 5.781 7.073 -9.808 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.419 6.646 -9.939 1.00 10.00 H new ATOM 453 N LEU A 47 3.144 4.251 -4.495 1.00 10.00 N ATOM 454 CA LEU A 47 2.438 3.069 -4.023 1.00 10.00 C ATOM 455 C LEU A 47 0.929 3.278 -4.038 1.00 10.00 C ATOM 456 O LEU A 47 0.184 2.447 -4.561 1.00 10.00 O ATOM 457 CB LEU A 47 2.894 2.699 -2.610 1.00 10.00 C ATOM 458 CG LEU A 47 3.929 1.579 -2.533 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.519 0.425 -3.427 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.309 2.091 -2.918 1.00 10.00 C ATOM 0 H LEU A 47 3.737 4.697 -3.795 1.00 10.00 H new ATOM 0 HA LEU A 47 2.678 2.252 -4.704 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.308 3.588 -2.135 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.020 2.405 -2.029 1.00 10.00 H new ATOM 0 HG LEU A 47 3.976 1.223 -1.504 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.265 -0.367 -3.363 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.552 0.040 -3.103 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.445 0.772 -4.458 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.030 1.276 -2.856 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.283 2.475 -3.938 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.604 2.889 -2.237 1.00 10.00 H new ATOM 472 N LYS A 48 0.497 4.403 -3.488 1.00 10.00 N ATOM 473 CA LYS A 48 -0.921 4.730 -3.407 1.00 10.00 C ATOM 474 C LYS A 48 -1.586 4.733 -4.782 1.00 10.00 C ATOM 475 O LYS A 48 -2.637 4.117 -4.972 1.00 10.00 O ATOM 476 CB LYS A 48 -1.105 6.090 -2.731 1.00 10.00 C ATOM 477 CG LYS A 48 -0.536 6.145 -1.321 1.00 10.00 C ATOM 478 CD LYS A 48 -0.815 7.481 -0.651 1.00 10.00 C ATOM 479 CE LYS A 48 -2.289 7.640 -0.310 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.595 8.996 0.217 1.00 10.00 N ATOM 0 H LYS A 48 1.113 5.111 -3.088 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.405 3.957 -2.811 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.626 6.857 -3.339 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.168 6.329 -2.696 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.967 5.342 -0.724 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.540 5.974 -1.356 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.220 7.564 0.258 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.504 8.291 -1.310 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.889 7.453 -1.200 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.573 6.891 0.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.572 9.253 -0.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.489 8.998 1.252 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.938 9.687 -0.200 1.00 10.00 H new ATOM 494 N GLU A 49 -0.969 5.409 -5.741 1.00 10.00 N ATOM 495 CA GLU A 49 -1.523 5.492 -7.089 1.00 10.00 C ATOM 496 C GLU A 49 -1.475 4.143 -7.801 1.00 10.00 C ATOM 497 O GLU A 49 -2.438 3.754 -8.464 1.00 10.00 O ATOM 498 CB GLU A 49 -0.786 6.547 -7.917 1.00 10.00 C ATOM 499 CG GLU A 49 0.718 6.553 -7.701 1.00 10.00 C ATOM 500 CD GLU A 49 1.463 7.325 -8.766 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.506 6.857 -9.923 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.015 8.396 -8.452 1.00 10.00 O ATOM 0 H GLU A 49 -0.088 5.907 -5.614 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.568 5.786 -6.990 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.992 6.375 -8.974 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.183 7.532 -7.671 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.938 6.986 -6.725 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.081 5.526 -7.683 1.00 10.00 H new ATOM 509 N SER A 50 -0.372 3.422 -7.643 1.00 10.00 N ATOM 510 CA SER A 50 -0.208 2.124 -8.288 1.00 10.00 C ATOM 511 C SER A 50 -1.257 1.126 -7.812 1.00 10.00 C ATOM 512 O SER A 50 -1.776 0.340 -8.607 1.00 10.00 O ATOM 513 CB SER A 50 1.196 1.588 -8.035 1.00 10.00 C ATOM 514 OG SER A 50 2.165 2.465 -8.583 1.00 10.00 O ATOM 0 H SER A 50 0.423 3.714 -7.074 1.00 10.00 H new ATOM 0 HA SER A 50 -0.348 2.260 -9.360 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.362 1.476 -6.964 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.300 0.598 -8.479 1.00 10.00 H new ATOM 0 HG SER A 50 2.163 3.308 -8.083 1.00 10.00 H new ATOM 520 N TYR A 51 -1.573 1.158 -6.521 1.00 10.00 N ATOM 521 CA TYR A 51 -2.577 0.259 -5.971 1.00 10.00 C ATOM 522 C TYR A 51 -3.938 0.569 -6.583 1.00 10.00 C ATOM 523 O TYR A 51 -4.696 -0.338 -6.934 1.00 10.00 O ATOM 524 CB TYR A 51 -2.644 0.381 -4.447 1.00 10.00 C ATOM 525 CG TYR A 51 -3.483 -0.695 -3.788 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.924 -1.913 -3.433 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.834 -0.493 -3.525 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.681 -2.902 -2.836 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.599 -1.477 -2.926 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.019 -2.680 -2.585 1.00 10.00 C ATOM 531 OH TYR A 51 -5.777 -3.664 -1.993 1.00 10.00 O ATOM 0 H TYR A 51 -1.151 1.792 -5.842 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.296 -0.765 -6.217 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.633 0.340 -4.043 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.051 1.358 -4.187 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.877 -2.092 -3.627 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.293 0.447 -3.793 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.228 -3.845 -2.567 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.646 -1.304 -2.726 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.209 -4.206 -1.407 1.00 10.00 H new ATOM 541 N CYS A 52 -4.231 1.858 -6.731 1.00 10.00 N ATOM 542 CA CYS A 52 -5.493 2.296 -7.312 1.00 10.00 C ATOM 543 C CYS A 52 -5.606 1.816 -8.757 1.00 10.00 C ATOM 544 O CYS A 52 -6.653 1.324 -9.179 1.00 10.00 O ATOM 545 CB CYS A 52 -5.607 3.823 -7.254 1.00 10.00 C ATOM 546 SG CYS A 52 -5.478 4.516 -5.587 1.00 10.00 S ATOM 0 H CYS A 52 -3.609 2.618 -6.455 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.309 1.863 -6.733 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.826 4.258 -7.877 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.562 4.121 -7.686 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.262 4.371 -5.150 1.00 10.00 H new ATOM 552 N GLN A 53 -4.513 1.942 -9.503 1.00 10.00 N ATOM 553 CA GLN A 53 -4.477 1.520 -10.901 1.00 10.00 C ATOM 554 C GLN A 53 -4.676 0.008 -11.019 1.00 10.00 C ATOM 555 O GLN A 53 -5.285 -0.475 -11.976 1.00 10.00 O ATOM 556 CB GLN A 53 -3.147 1.928 -11.537 1.00 10.00 C ATOM 557 CG GLN A 53 -2.963 3.434 -11.647 1.00 10.00 C ATOM 558 CD GLN A 53 -1.527 3.830 -11.928 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.587 3.167 -11.491 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.347 4.921 -12.657 1.00 10.00 N ATOM 0 H GLN A 53 -3.636 2.335 -9.161 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.292 2.014 -11.430 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.329 1.512 -10.948 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.079 1.488 -12.532 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.603 3.817 -12.442 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.290 3.904 -10.720 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.153 5.443 -13.001 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.403 5.239 -12.875 1.00 10.00 H new ATOM 569 N ARG A 54 -4.175 -0.726 -10.031 1.00 10.00 N ATOM 570 CA ARG A 54 -4.292 -2.182 -10.008 1.00 10.00 C ATOM 571 C ARG A 54 -5.746 -2.604 -9.802 1.00 10.00 C ATOM 572 O ARG A 54 -6.204 -3.593 -10.374 1.00 10.00 O ATOM 573 CB ARG A 54 -3.414 -2.764 -8.893 1.00 10.00 C ATOM 574 CG ARG A 54 -3.444 -4.283 -8.804 1.00 10.00 C ATOM 575 CD ARG A 54 -2.627 -4.925 -9.913 1.00 10.00 C ATOM 576 NE ARG A 54 -2.522 -6.376 -9.752 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.437 -7.085 -10.066 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.366 -6.478 -10.560 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.427 -8.402 -9.900 1.00 10.00 N ATOM 0 H ARG A 54 -3.680 -0.334 -9.230 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.952 -2.569 -10.969 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.385 -2.441 -9.050 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.736 -2.349 -7.938 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.056 -4.599 -7.836 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.475 -4.631 -8.863 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.085 -4.700 -10.876 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.628 -4.489 -9.925 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.328 -6.876 -9.377 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.372 -5.468 -10.700 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.463 -7.022 -10.800 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.251 -8.876 -9.531 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.595 -8.940 -10.142 1.00 10.00 H new ATOM 593 N GLN A 55 -6.467 -1.844 -8.987 1.00 10.00 N ATOM 594 CA GLN A 55 -7.867 -2.142 -8.702 1.00 10.00 C ATOM 595 C GLN A 55 -8.779 -1.553 -9.775 1.00 10.00 C ATOM 596 O GLN A 55 -9.936 -1.959 -9.916 1.00 10.00 O ATOM 597 CB GLN A 55 -8.257 -1.598 -7.324 1.00 10.00 C ATOM 598 CG GLN A 55 -7.355 -2.073 -6.194 1.00 10.00 C ATOM 599 CD GLN A 55 -7.340 -3.582 -6.044 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.525 -4.271 -6.656 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.241 -4.105 -5.228 1.00 10.00 N ATOM 0 H GLN A 55 -6.107 -1.017 -8.511 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.990 -3.225 -8.703 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.239 -0.509 -7.356 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.283 -1.893 -7.105 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.339 -1.721 -6.375 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.687 -1.623 -5.258 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.899 -3.498 -4.739 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.277 -5.115 -5.088 1.00 10.00 H new ATOM 610 N GLY A 56 -8.252 -0.592 -10.523 1.00 10.00 N ATOM 611 CA GLY A 56 -9.021 0.040 -11.578 1.00 10.00 C ATOM 612 C GLY A 56 -9.816 1.228 -11.077 1.00 10.00 C ATOM 613 O GLY A 56 -10.937 1.469 -11.522 1.00 10.00 O ATOM 0 H GLY A 56 -7.301 -0.238 -10.417 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.347 0.365 -12.371 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.701 -0.690 -12.017 1.00 10.00 H new ATOM 617 N VAL A 57 -9.237 1.967 -10.142 1.00 10.00 N ATOM 618 CA VAL A 57 -9.893 3.135 -9.571 1.00 10.00 C ATOM 619 C VAL A 57 -8.959 4.343 -9.612 1.00 10.00 C ATOM 620 O VAL A 57 -7.745 4.186 -9.770 1.00 10.00 O ATOM 621 CB VAL A 57 -10.343 2.874 -8.112 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.588 2.000 -8.081 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.222 2.234 -7.305 1.00 10.00 C ATOM 0 H VAL A 57 -8.310 1.778 -9.761 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.779 3.341 -10.172 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.585 3.834 -7.657 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.887 1.829 -7.047 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.397 2.500 -8.615 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.374 1.044 -8.559 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.562 2.060 -6.284 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.942 1.284 -7.761 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.358 2.899 -7.292 1.00 10.00 H new ATOM 633 N PRO A 58 -9.510 5.567 -9.518 1.00 10.00 N ATOM 634 CA PRO A 58 -8.705 6.791 -9.532 1.00 10.00 C ATOM 635 C PRO A 58 -7.838 6.919 -8.281 1.00 10.00 C ATOM 636 O PRO A 58 -8.045 6.207 -7.299 1.00 10.00 O ATOM 637 CB PRO A 58 -9.749 7.911 -9.583 1.00 10.00 C ATOM 638 CG PRO A 58 -10.994 7.308 -9.036 1.00 10.00 C ATOM 639 CD PRO A 58 -10.955 5.856 -9.415 1.00 10.00 C ATOM 0 HA PRO A 58 -8.007 6.813 -10.369 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.434 8.770 -8.991 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.898 8.265 -10.603 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.042 7.427 -7.954 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.877 7.795 -9.449 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.437 5.231 -8.663 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.469 5.673 -10.358 1.00 10.00 H new ATOM 647 N MET A 59 -6.871 7.821 -8.317 1.00 10.00 N ATOM 648 CA MET A 59 -5.980 8.024 -7.182 1.00 10.00 C ATOM 649 C MET A 59 -6.725 8.653 -6.004 1.00 10.00 C ATOM 650 O MET A 59 -7.621 9.475 -6.196 1.00 10.00 O ATOM 651 CB MET A 59 -4.799 8.910 -7.586 1.00 10.00 C ATOM 652 CG MET A 59 -3.679 8.947 -6.557 1.00 10.00 C ATOM 653 SD MET A 59 -2.328 10.040 -7.042 1.00 10.00 S ATOM 654 CE MET A 59 -1.095 9.624 -5.809 1.00 10.00 C ATOM 0 H MET A 59 -6.682 8.424 -9.117 1.00 10.00 H new ATOM 0 HA MET A 59 -5.605 7.049 -6.870 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.397 8.553 -8.534 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.159 9.925 -7.754 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.081 9.276 -5.599 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.291 7.939 -6.411 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.675 10.539 -5.392 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.559 9.042 -5.013 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.301 9.038 -6.272 1.00 10.00 H new ATOM 664 N ASN A 60 -6.359 8.221 -4.795 1.00 10.00 N ATOM 665 CA ASN A 60 -6.944 8.729 -3.546 1.00 10.00 C ATOM 666 C ASN A 60 -8.389 8.263 -3.355 1.00 10.00 C ATOM 667 O ASN A 60 -9.118 8.796 -2.519 1.00 10.00 O ATOM 668 CB ASN A 60 -6.862 10.263 -3.486 1.00 10.00 C ATOM 669 CG ASN A 60 -7.030 10.808 -2.077 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.624 10.179 -1.098 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.620 11.989 -1.968 1.00 10.00 N ATOM 0 H ASN A 60 -5.646 7.506 -4.651 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.356 8.314 -2.727 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -5.900 10.587 -3.883 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -7.632 10.689 -4.129 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.752 12.410 -1.048 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -7.942 12.477 -2.804 1.00 10.00 H new ATOM 678 N SER A 61 -8.805 7.263 -4.121 1.00 10.00 N ATOM 679 CA SER A 61 -10.158 6.735 -3.998 1.00 10.00 C ATOM 680 C SER A 61 -10.246 5.822 -2.784 1.00 10.00 C ATOM 681 O SER A 61 -11.289 5.719 -2.133 1.00 10.00 O ATOM 682 CB SER A 61 -10.546 5.967 -5.259 1.00 10.00 C ATOM 683 OG SER A 61 -9.562 5.000 -5.582 1.00 10.00 O ATOM 0 H SER A 61 -8.231 6.804 -4.828 1.00 10.00 H new ATOM 0 HA SER A 61 -10.850 7.567 -3.872 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.508 5.477 -5.110 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.667 6.661 -6.090 1.00 10.00 H new ATOM 0 HG SER A 61 -9.110 5.258 -6.412 1.00 10.00 H new ATOM 689 N LEU A 62 -9.134 5.172 -2.485 1.00 10.00 N ATOM 690 CA LEU A 62 -9.051 4.266 -1.359 1.00 10.00 C ATOM 691 C LEU A 62 -8.131 4.839 -0.286 1.00 10.00 C ATOM 692 O LEU A 62 -7.166 5.545 -0.591 1.00 10.00 O ATOM 693 CB LEU A 62 -8.532 2.899 -1.817 1.00 10.00 C ATOM 694 CG LEU A 62 -9.279 2.276 -3.001 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.579 1.010 -3.467 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.724 1.978 -2.628 1.00 10.00 C ATOM 0 H LEU A 62 -8.267 5.259 -3.016 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.049 4.143 -0.938 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.480 3.000 -2.085 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.582 2.209 -0.974 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.277 2.994 -3.821 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.124 0.582 -4.308 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.562 1.250 -3.777 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.548 0.289 -2.650 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.237 1.536 -3.482 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.747 1.281 -1.791 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.225 2.903 -2.343 1.00 10.00 H new ATOM 708 N ARG A 63 -8.442 4.543 0.965 1.00 10.00 N ATOM 709 CA ARG A 63 -7.648 5.017 2.084 1.00 10.00 C ATOM 710 C ARG A 63 -6.873 3.863 2.704 1.00 10.00 C ATOM 711 O ARG A 63 -7.455 2.866 3.141 1.00 10.00 O ATOM 712 CB ARG A 63 -8.534 5.696 3.140 1.00 10.00 C ATOM 713 CG ARG A 63 -9.679 4.829 3.647 1.00 10.00 C ATOM 714 CD ARG A 63 -10.454 5.518 4.760 1.00 10.00 C ATOM 715 NE ARG A 63 -11.609 4.730 5.192 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.878 5.076 4.967 1.00 10.00 C ATOM 717 NH1 ARG A 63 -13.166 6.196 4.316 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.864 4.291 5.386 1.00 10.00 N ATOM 0 H ARG A 63 -9.245 3.973 1.231 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.940 5.757 1.711 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.912 5.988 3.986 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.947 6.612 2.717 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.354 4.598 2.823 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.284 3.881 4.011 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.793 5.689 5.610 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.790 6.496 4.416 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.433 3.861 5.697 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.415 6.800 3.983 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -14.139 6.453 4.148 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.651 3.424 5.880 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.834 4.555 5.214 1.00 10.00 H new ATOM 732 N PHE A 64 -5.559 3.992 2.711 1.00 10.00 N ATOM 733 CA PHE A 64 -4.690 2.977 3.284 1.00 10.00 C ATOM 734 C PHE A 64 -4.485 3.270 4.760 1.00 10.00 C ATOM 735 O PHE A 64 -3.973 4.335 5.122 1.00 10.00 O ATOM 736 CB PHE A 64 -3.344 2.949 2.555 1.00 10.00 C ATOM 737 CG PHE A 64 -3.477 2.839 1.064 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.532 3.978 0.274 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.551 1.600 0.452 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.663 3.881 -1.097 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.679 1.497 -0.920 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.735 2.639 -1.695 1.00 10.00 C ATOM 0 H PHE A 64 -5.066 4.796 2.323 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.157 1.999 3.170 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.789 3.855 2.797 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.757 2.108 2.923 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.472 4.952 0.737 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.508 0.704 1.053 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.709 4.775 -1.701 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.735 0.524 -1.386 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.835 2.560 -2.767 1.00 10.00 H new ATOM 752 N LEU A 65 -4.890 2.337 5.602 1.00 10.00 N ATOM 753 CA LEU A 65 -4.776 2.506 7.040 1.00 10.00 C ATOM 754 C LEU A 65 -3.697 1.598 7.617 1.00 10.00 C ATOM 755 O LEU A 65 -3.752 0.372 7.479 1.00 10.00 O ATOM 756 CB LEU A 65 -6.123 2.218 7.710 1.00 10.00 C ATOM 757 CG LEU A 65 -7.291 3.071 7.207 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.606 2.573 7.784 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.075 4.535 7.558 1.00 10.00 C ATOM 0 H LEU A 65 -5.303 1.450 5.313 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.490 3.539 7.240 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.369 1.167 7.560 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.018 2.370 8.784 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.337 2.981 6.122 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.423 3.192 7.414 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.768 1.539 7.480 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.571 2.630 8.872 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.916 5.125 7.192 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.000 4.642 8.640 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.154 4.888 7.094 1.00 10.00 H new ATOM 771 N PHE A 66 -2.729 2.212 8.274 1.00 10.00 N ATOM 772 CA PHE A 66 -1.624 1.494 8.882 1.00 10.00 C ATOM 773 C PHE A 66 -1.446 1.956 10.323 1.00 10.00 C ATOM 774 O PHE A 66 -1.207 3.137 10.575 1.00 10.00 O ATOM 775 CB PHE A 66 -0.340 1.728 8.081 1.00 10.00 C ATOM 776 CG PHE A 66 0.869 1.033 8.643 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.884 -0.344 8.802 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.993 1.758 9.005 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.998 -0.982 9.313 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.107 1.123 9.516 1.00 10.00 C ATOM 781 CZ PHE A 66 3.110 -0.247 9.669 1.00 10.00 C ATOM 0 H PHE A 66 -2.687 3.223 8.401 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.842 0.426 8.878 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.497 1.390 7.057 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.142 2.799 8.036 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.016 -0.924 8.524 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.997 2.831 8.886 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.998 -2.055 9.434 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.976 1.700 9.796 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.982 -0.744 10.067 1.00 10.00 H new ATOM 791 N GLU A 67 -1.599 1.020 11.257 1.00 10.00 N ATOM 792 CA GLU A 67 -1.464 1.298 12.688 1.00 10.00 C ATOM 793 C GLU A 67 -2.482 2.340 13.144 1.00 10.00 C ATOM 794 O GLU A 67 -2.263 3.058 14.122 1.00 10.00 O ATOM 795 CB GLU A 67 -0.040 1.754 13.024 1.00 10.00 C ATOM 796 CG GLU A 67 1.023 0.710 12.714 1.00 10.00 C ATOM 797 CD GLU A 67 0.869 -0.556 13.536 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.062 -1.344 13.264 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.691 -0.780 14.453 1.00 10.00 O ATOM 0 H GLU A 67 -1.820 0.047 11.045 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.663 0.372 13.227 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.182 2.664 12.466 1.00 10.00 H new ATOM 0 HB3 GLU A 67 0.011 2.009 14.083 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.977 0.457 11.655 1.00 10.00 H new ATOM 0 HG3 GLU A 67 2.009 1.138 12.897 1.00 10.00 H new ATOM 806 N GLY A 68 -3.600 2.413 12.430 1.00 10.00 N ATOM 807 CA GLY A 68 -4.647 3.356 12.776 1.00 10.00 C ATOM 808 C GLY A 68 -4.545 4.667 12.019 1.00 10.00 C ATOM 809 O GLY A 68 -5.523 5.409 11.926 1.00 10.00 O ATOM 0 H GLY A 68 -3.800 1.834 11.615 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.617 2.902 12.574 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.606 3.558 13.846 1.00 10.00 H new ATOM 813 N GLN A 69 -3.373 4.951 11.469 1.00 10.00 N ATOM 814 CA GLN A 69 -3.160 6.190 10.729 1.00 10.00 C ATOM 815 C GLN A 69 -3.354 5.965 9.238 1.00 10.00 C ATOM 816 O GLN A 69 -3.310 4.830 8.762 1.00 10.00 O ATOM 817 CB GLN A 69 -1.753 6.737 10.976 1.00 10.00 C ATOM 818 CG GLN A 69 -1.250 6.527 12.394 1.00 10.00 C ATOM 819 CD GLN A 69 -0.100 7.450 12.744 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.644 7.902 11.874 1.00 10.00 O ATOM 821 NE2 GLN A 69 0.062 7.728 14.025 1.00 10.00 N ATOM 0 H GLN A 69 -2.556 4.343 11.520 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.893 6.915 11.083 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.061 6.260 10.281 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.744 7.804 10.752 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.069 6.690 13.095 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -0.930 5.492 12.513 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.576 7.334 14.717 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.825 8.337 14.322 1.00 10.00 H new ATOM 830 N ARG A 70 -3.570 7.044 8.502 1.00 10.00 N ATOM 831 CA ARG A 70 -3.756 6.951 7.064 1.00 10.00 C ATOM 832 C ARG A 70 -2.462 7.312 6.340 1.00 10.00 C ATOM 833 O ARG A 70 -1.888 8.380 6.565 1.00 10.00 O ATOM 834 CB ARG A 70 -4.914 7.847 6.598 1.00 10.00 C ATOM 835 CG ARG A 70 -4.751 9.318 6.952 1.00 10.00 C ATOM 836 CD ARG A 70 -6.005 10.115 6.629 1.00 10.00 C ATOM 837 NE ARG A 70 -6.362 10.042 5.211 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.618 9.977 4.761 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.636 9.974 5.615 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.852 9.915 3.457 1.00 10.00 N ATOM 0 H ARG A 70 -3.621 7.992 8.876 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.015 5.921 6.817 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.016 7.755 5.517 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.841 7.480 7.038 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.522 9.414 8.013 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.905 9.733 6.404 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.834 9.742 7.230 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.852 11.157 6.909 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.606 10.041 4.526 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.460 10.021 6.619 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.593 9.924 5.267 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.073 9.917 2.798 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.811 9.865 3.113 1.00 10.00 H new ATOM 854 N ILE A 71 -1.996 6.398 5.495 1.00 10.00 N ATOM 855 CA ILE A 71 -0.770 6.602 4.728 1.00 10.00 C ATOM 856 C ILE A 71 -0.866 7.861 3.870 1.00 10.00 C ATOM 857 O ILE A 71 -1.784 8.008 3.055 1.00 10.00 O ATOM 858 CB ILE A 71 -0.463 5.386 3.825 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.259 4.126 4.677 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.761 5.648 2.954 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.950 4.188 5.590 1.00 10.00 C ATOM 0 H ILE A 71 -2.452 5.502 5.323 1.00 10.00 H new ATOM 0 HA ILE A 71 0.042 6.720 5.445 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.317 5.227 3.167 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.150 3.961 5.282 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.159 3.265 4.016 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.955 4.777 2.328 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.578 6.516 2.321 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.626 5.838 3.590 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.025 3.261 6.158 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.851 4.321 4.992 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.844 5.027 6.278 1.00 10.00 H new ATOM 873 N ALA A 72 0.074 8.768 4.068 1.00 10.00 N ATOM 874 CA ALA A 72 0.107 10.015 3.327 1.00 10.00 C ATOM 875 C ALA A 72 0.958 9.880 2.072 1.00 10.00 C ATOM 876 O ALA A 72 1.767 8.959 1.952 1.00 10.00 O ATOM 877 CB ALA A 72 0.636 11.134 4.211 1.00 10.00 C ATOM 0 H ALA A 72 0.831 8.662 4.743 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.910 10.259 3.019 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.657 12.066 3.645 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.014 11.251 5.078 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.645 10.889 4.544 1.00 10.00 H new ATOM 883 N ASP A 73 0.777 10.814 1.147 1.00 10.00 N ATOM 884 CA ASP A 73 1.521 10.823 -0.112 1.00 10.00 C ATOM 885 C ASP A 73 2.980 11.187 0.133 1.00 10.00 C ATOM 886 O ASP A 73 3.837 11.010 -0.732 1.00 10.00 O ATOM 887 CB ASP A 73 0.907 11.836 -1.085 1.00 10.00 C ATOM 888 CG ASP A 73 -0.298 11.299 -1.832 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.259 10.835 -1.181 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.305 11.366 -3.079 1.00 10.00 O ATOM 0 H ASP A 73 0.115 11.584 1.244 1.00 10.00 H new ATOM 0 HA ASP A 73 1.467 9.824 -0.545 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.614 12.728 -0.532 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.665 12.142 -1.806 1.00 10.00 H new ATOM 895 N ASN A 74 3.249 11.703 1.323 1.00 10.00 N ATOM 896 CA ASN A 74 4.592 12.111 1.710 1.00 10.00 C ATOM 897 C ASN A 74 5.179 11.161 2.750 1.00 10.00 C ATOM 898 O ASN A 74 6.109 11.514 3.473 1.00 10.00 O ATOM 899 CB ASN A 74 4.564 13.544 2.255 1.00 10.00 C ATOM 900 CG ASN A 74 3.581 13.717 3.400 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.376 13.871 3.184 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.086 13.700 4.622 1.00 10.00 N ATOM 0 H ASN A 74 2.545 11.851 2.046 1.00 10.00 H new ATOM 0 HA ASN A 74 5.229 12.075 0.826 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.563 13.819 2.594 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.301 14.230 1.449 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.473 13.817 5.429 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.089 13.570 4.758 1.00 10.00 H new ATOM 909 N HIS A 75 4.636 9.953 2.820 1.00 10.00 N ATOM 910 CA HIS A 75 5.112 8.958 3.773 1.00 10.00 C ATOM 911 C HIS A 75 6.094 8.001 3.106 1.00 10.00 C ATOM 912 O HIS A 75 6.075 7.822 1.885 1.00 10.00 O ATOM 913 CB HIS A 75 3.942 8.168 4.367 1.00 10.00 C ATOM 914 CG HIS A 75 3.360 8.776 5.607 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.111 8.418 6.061 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.893 9.690 6.455 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.916 9.112 7.169 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.967 9.892 7.446 1.00 10.00 N ATOM 0 H HIS A 75 3.866 9.638 2.229 1.00 10.00 H new ATOM 0 HA HIS A 75 5.623 9.486 4.578 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.158 8.081 3.615 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.279 7.157 4.595 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.858 10.166 6.367 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.023 9.056 7.773 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.062 10.519 8.245 1.00 10.00 H new ATOM 926 N THR A 76 6.959 7.402 3.909 1.00 10.00 N ATOM 927 CA THR A 76 7.948 6.459 3.414 1.00 10.00 C ATOM 928 C THR A 76 7.914 5.171 4.239 1.00 10.00 C ATOM 929 O THR A 76 7.470 5.183 5.387 1.00 10.00 O ATOM 930 CB THR A 76 9.365 7.065 3.478 1.00 10.00 C ATOM 931 OG1 THR A 76 9.620 7.575 4.794 1.00 10.00 O ATOM 932 CG2 THR A 76 9.529 8.183 2.458 1.00 10.00 C ATOM 0 H THR A 76 6.995 7.555 4.917 1.00 10.00 H new ATOM 0 HA THR A 76 7.705 6.234 2.376 1.00 10.00 H new ATOM 0 HB THR A 76 10.081 6.277 3.245 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.969 8.276 5.005 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.537 8.592 2.525 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.364 7.788 1.456 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.804 8.971 2.662 1.00 10.00 H new ATOM 940 N PRO A 77 8.378 4.039 3.675 1.00 10.00 N ATOM 941 CA PRO A 77 8.403 2.753 4.385 1.00 10.00 C ATOM 942 C PRO A 77 9.468 2.724 5.482 1.00 10.00 C ATOM 943 O PRO A 77 9.543 1.783 6.273 1.00 10.00 O ATOM 944 CB PRO A 77 8.744 1.728 3.288 1.00 10.00 C ATOM 945 CG PRO A 77 8.627 2.463 1.994 1.00 10.00 C ATOM 946 CD PRO A 77 8.897 3.905 2.306 1.00 10.00 C ATOM 0 HA PRO A 77 7.457 2.553 4.888 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.750 1.331 3.423 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.060 0.880 3.319 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.341 2.082 1.264 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.634 2.337 1.563 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.960 4.140 2.251 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.387 4.573 1.612 1.00 10.00 H new ATOM 954 N LYS A 78 10.289 3.766 5.521 1.00 10.00 N ATOM 955 CA LYS A 78 11.356 3.874 6.507 1.00 10.00 C ATOM 956 C LYS A 78 10.818 4.409 7.838 1.00 10.00 C ATOM 957 O LYS A 78 11.434 4.223 8.890 1.00 10.00 O ATOM 958 CB LYS A 78 12.472 4.779 5.961 1.00 10.00 C ATOM 959 CG LYS A 78 13.581 5.094 6.958 1.00 10.00 C ATOM 960 CD LYS A 78 14.286 3.841 7.459 1.00 10.00 C ATOM 961 CE LYS A 78 15.150 3.205 6.384 1.00 10.00 C ATOM 962 NZ LYS A 78 16.170 2.292 6.964 1.00 10.00 N ATOM 0 H LYS A 78 10.235 4.554 4.876 1.00 10.00 H new ATOM 0 HA LYS A 78 11.767 2.882 6.695 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.913 4.301 5.086 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.029 5.716 5.623 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.310 5.755 6.489 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.160 5.634 7.806 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.906 4.093 8.320 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.544 3.120 7.801 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.518 2.650 5.691 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.647 3.986 5.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.740 1.877 6.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.789 2.826 7.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.695 1.533 7.493 1.00 10.00 H new ATOM 976 N GLU A 79 9.662 5.054 7.797 1.00 10.00 N ATOM 977 CA GLU A 79 9.066 5.604 9.005 1.00 10.00 C ATOM 978 C GLU A 79 7.834 4.803 9.405 1.00 10.00 C ATOM 979 O GLU A 79 7.445 3.866 8.702 1.00 10.00 O ATOM 980 CB GLU A 79 8.700 7.073 8.797 1.00 10.00 C ATOM 981 CG GLU A 79 7.582 7.291 7.790 1.00 10.00 C ATOM 982 CD GLU A 79 7.536 8.713 7.285 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.391 9.636 8.114 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.665 8.915 6.062 1.00 10.00 O ATOM 0 H GLU A 79 9.121 5.209 6.946 1.00 10.00 H new ATOM 0 HA GLU A 79 9.797 5.538 9.811 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.403 7.503 9.754 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.586 7.615 8.465 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.717 6.613 6.948 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.627 7.040 8.251 1.00 10.00 H new ATOM 991 N LEU A 80 7.241 5.175 10.543 1.00 10.00 N ATOM 992 CA LEU A 80 6.040 4.524 11.083 1.00 10.00 C ATOM 993 C LEU A 80 6.356 3.144 11.659 1.00 10.00 C ATOM 994 O LEU A 80 5.960 2.829 12.782 1.00 10.00 O ATOM 995 CB LEU A 80 4.933 4.428 10.026 1.00 10.00 C ATOM 996 CG LEU A 80 4.216 5.745 9.718 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.496 5.664 8.381 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.235 6.086 10.828 1.00 10.00 C ATOM 0 H LEU A 80 7.582 5.943 11.121 1.00 10.00 H new ATOM 0 HA LEU A 80 5.677 5.150 11.898 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.366 4.043 9.103 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.195 3.699 10.360 1.00 10.00 H new ATOM 0 HG LEU A 80 4.963 6.537 9.658 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.993 6.610 8.181 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.219 5.463 7.590 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.760 4.861 8.412 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.733 7.025 10.594 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.495 5.291 10.916 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.773 6.187 11.771 1.00 10.00 H new ATOM 1010 N GLY A 81 7.070 2.328 10.897 1.00 10.00 N ATOM 1011 CA GLY A 81 7.426 1.004 11.362 1.00 10.00 C ATOM 1012 C GLY A 81 6.947 -0.088 10.430 1.00 10.00 C ATOM 1013 O GLY A 81 6.104 -0.900 10.802 1.00 10.00 O ATOM 0 H GLY A 81 7.409 2.560 9.964 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.509 0.938 11.466 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.000 0.844 12.353 1.00 10.00 H new ATOM 1017 N MET A 82 7.482 -0.109 9.219 1.00 10.00 N ATOM 1018 CA MET A 82 7.105 -1.115 8.237 1.00 10.00 C ATOM 1019 C MET A 82 8.127 -2.244 8.202 1.00 10.00 C ATOM 1020 O MET A 82 9.309 -2.018 7.931 1.00 10.00 O ATOM 1021 CB MET A 82 6.975 -0.491 6.846 1.00 10.00 C ATOM 1022 CG MET A 82 5.554 -0.086 6.495 1.00 10.00 C ATOM 1023 SD MET A 82 5.397 0.516 4.802 1.00 10.00 S ATOM 1024 CE MET A 82 3.648 0.904 4.756 1.00 10.00 C ATOM 0 H MET A 82 8.179 0.560 8.892 1.00 10.00 H new ATOM 0 HA MET A 82 6.139 -1.524 8.531 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.619 0.386 6.788 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.336 -1.201 6.102 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.892 -0.941 6.635 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.222 0.690 7.184 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.387 1.290 3.771 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.070 0.002 4.957 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.422 1.656 5.512 1.00 10.00 H new ATOM 1034 N GLU A 83 7.672 -3.453 8.487 1.00 10.00 N ATOM 1035 CA GLU A 83 8.542 -4.616 8.487 1.00 10.00 C ATOM 1036 C GLU A 83 7.975 -5.708 7.586 1.00 10.00 C ATOM 1037 O GLU A 83 6.882 -5.565 7.042 1.00 10.00 O ATOM 1038 CB GLU A 83 8.717 -5.145 9.911 1.00 10.00 C ATOM 1039 CG GLU A 83 10.142 -5.031 10.428 1.00 10.00 C ATOM 1040 CD GLU A 83 11.129 -5.786 9.567 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.059 -7.031 9.531 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.973 -5.142 8.912 1.00 10.00 O ATOM 0 H GLU A 83 6.700 -3.654 8.722 1.00 10.00 H new ATOM 0 HA GLU A 83 9.516 -4.319 8.100 1.00 10.00 H new ATOM 0 HB2 GLU A 83 8.052 -4.597 10.578 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.410 -6.190 9.942 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.428 -3.980 10.468 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.187 -5.413 11.448 1.00 10.00 H new ATOM 1049 N GLU A 84 8.726 -6.788 7.425 1.00 10.00 N ATOM 1050 CA GLU A 84 8.290 -7.903 6.597 1.00 10.00 C ATOM 1051 C GLU A 84 7.169 -8.658 7.307 1.00 10.00 C ATOM 1052 O GLU A 84 7.170 -8.757 8.538 1.00 10.00 O ATOM 1053 CB GLU A 84 9.476 -8.828 6.293 1.00 10.00 C ATOM 1054 CG GLU A 84 9.121 -10.055 5.462 1.00 10.00 C ATOM 1055 CD GLU A 84 8.431 -9.708 4.158 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.115 -9.279 3.208 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.199 -9.873 4.078 1.00 10.00 O ATOM 0 H GLU A 84 9.641 -6.916 7.857 1.00 10.00 H new ATOM 0 HA GLU A 84 7.906 -7.527 5.649 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.241 -8.257 5.767 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.915 -9.157 7.235 1.00 10.00 H new ATOM 0 HG2 GLU A 84 10.030 -10.617 5.247 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.473 -10.708 6.047 1.00 10.00 H new ATOM 1064 N GLU A 85 6.216 -9.170 6.526 1.00 10.00 N ATOM 1065 CA GLU A 85 5.068 -9.905 7.059 1.00 10.00 C ATOM 1066 C GLU A 85 4.152 -8.967 7.837 1.00 10.00 C ATOM 1067 O GLU A 85 3.439 -9.387 8.753 1.00 10.00 O ATOM 1068 CB GLU A 85 5.518 -11.071 7.949 1.00 10.00 C ATOM 1069 CG GLU A 85 5.943 -12.308 7.174 1.00 10.00 C ATOM 1070 CD GLU A 85 4.763 -13.081 6.625 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.249 -12.705 5.553 1.00 10.00 O ATOM 1072 OE2 GLU A 85 4.345 -14.073 7.263 1.00 10.00 O ATOM 0 H GLU A 85 6.218 -9.087 5.509 1.00 10.00 H new ATOM 0 HA GLU A 85 4.515 -10.320 6.216 1.00 10.00 H new ATOM 0 HB2 GLU A 85 6.350 -10.740 8.571 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.703 -11.338 8.622 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.594 -12.012 6.351 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.528 -12.958 7.825 1.00 10.00 H new ATOM 1079 N ASP A 86 4.172 -7.695 7.460 1.00 10.00 N ATOM 1080 CA ASP A 86 3.346 -6.686 8.111 1.00 10.00 C ATOM 1081 C ASP A 86 1.931 -6.715 7.549 1.00 10.00 C ATOM 1082 O ASP A 86 1.681 -7.348 6.523 1.00 10.00 O ATOM 1083 CB ASP A 86 3.947 -5.295 7.917 1.00 10.00 C ATOM 1084 CG ASP A 86 3.935 -4.478 9.190 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.844 -4.275 9.765 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.019 -4.033 9.624 1.00 10.00 O ATOM 0 H ASP A 86 4.754 -7.336 6.703 1.00 10.00 H new ATOM 0 HA ASP A 86 3.311 -6.911 9.177 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.973 -5.392 7.561 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.390 -4.766 7.144 1.00 10.00 H new ATOM 1091 N VAL A 87 1.015 -6.023 8.209 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.374 -5.988 7.773 1.00 10.00 C ATOM 1093 C VAL A 87 -0.866 -4.551 7.619 1.00 10.00 C ATOM 1094 O VAL A 87 -0.610 -3.698 8.475 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.298 -6.740 8.764 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.742 -6.724 8.284 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.823 -8.172 8.968 1.00 10.00 C ATOM 0 H VAL A 87 1.208 -5.478 9.049 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.415 -6.487 6.805 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.251 -6.221 9.721 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.369 -7.259 8.998 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.086 -5.693 8.200 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.807 -7.209 7.310 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.487 -8.680 9.667 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.831 -8.698 8.013 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.190 -8.165 9.370 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.558 -4.291 6.520 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.107 -2.973 6.243 1.00 10.00 C ATOM 1109 C ILE A 88 -3.509 -3.123 5.655 1.00 10.00 C ATOM 1110 O ILE A 88 -3.789 -4.095 4.951 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.196 -2.166 5.282 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.785 -0.776 5.010 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.980 -2.922 3.977 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.848 0.151 4.264 1.00 10.00 C ATOM 0 H ILE A 88 -1.754 -4.985 5.798 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.161 -2.417 7.179 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.228 -2.037 5.765 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.704 -0.888 4.435 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.057 -0.315 5.960 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.338 -2.336 3.319 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.506 -3.881 4.186 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.941 -3.090 3.491 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.335 1.114 4.109 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.062 0.294 4.847 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.595 -0.287 3.298 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.393 -2.185 5.962 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.760 -2.248 5.467 1.00 10.00 C ATOM 1128 C GLU A 89 -6.039 -1.136 4.467 1.00 10.00 C ATOM 1129 O GLU A 89 -5.359 -0.109 4.453 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.745 -2.158 6.630 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.597 -3.285 7.637 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.651 -3.230 8.717 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.746 -3.791 8.513 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.394 -2.620 9.775 1.00 10.00 O ATOM 0 H GLU A 89 -4.190 -1.375 6.548 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.887 -3.203 4.957 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.606 -1.205 7.140 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.761 -2.164 6.236 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.660 -4.242 7.120 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.609 -3.234 8.094 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.045 -1.349 3.634 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.432 -0.376 2.629 1.00 10.00 C ATOM 1143 C VAL A 90 -8.951 -0.368 2.462 1.00 10.00 C ATOM 1144 O VAL A 90 -9.570 -1.415 2.277 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.741 -0.657 1.271 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.014 -2.080 0.796 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.177 0.352 0.219 1.00 10.00 C ATOM 0 H VAL A 90 -7.612 -2.197 3.636 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.105 0.607 2.969 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.666 -0.552 1.420 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.516 -2.247 -0.159 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.634 -2.788 1.532 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.088 -2.224 0.675 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.678 0.133 -0.725 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.257 0.290 0.081 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.910 1.357 0.546 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.548 0.809 2.563 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.994 0.948 2.428 1.00 10.00 C ATOM 1159 C TYR A 91 -11.320 2.063 1.444 1.00 10.00 C ATOM 1160 O TYR A 91 -10.440 2.828 1.065 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.632 1.230 3.791 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.476 0.092 4.780 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.415 -0.928 4.846 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.388 0.039 5.643 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.274 -1.968 5.744 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.242 -0.997 6.542 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.187 -1.997 6.590 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.046 -3.036 7.484 1.00 10.00 O ATOM 0 H TYR A 91 -9.055 1.685 2.738 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.404 0.013 2.045 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.186 2.131 4.213 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.693 1.436 3.651 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.269 -0.908 4.185 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.645 0.822 5.609 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.013 -2.755 5.783 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.390 -1.024 7.205 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.094 -3.187 7.662 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.574 2.157 1.036 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.988 3.180 0.083 1.00 10.00 C ATOM 1180 C GLN A 92 -13.346 4.485 0.784 1.00 10.00 C ATOM 1181 O GLN A 92 -13.999 4.482 1.829 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.185 2.694 -0.737 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.621 3.676 -1.813 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.878 3.237 -2.531 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.816 2.511 -3.525 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.026 3.671 -2.039 1.00 10.00 N ATOM 0 H GLN A 92 -13.324 1.540 1.347 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.145 3.367 -0.581 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.933 1.743 -1.205 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.023 2.507 -0.066 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.789 4.653 -1.360 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.816 3.795 -2.538 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.033 4.271 -1.214 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.904 3.406 -2.485 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.914 5.596 0.201 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.198 6.915 0.746 1.00 10.00 C ATOM 1197 C GLU A 93 -14.588 7.369 0.313 1.00 10.00 C ATOM 1198 O GLU A 93 -15.045 7.027 -0.778 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.148 7.921 0.274 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.846 7.859 1.053 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.931 8.577 2.383 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.588 8.053 3.304 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.337 9.668 2.514 1.00 10.00 O ATOM 0 H GLU A 93 -12.361 5.608 -0.656 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.165 6.860 1.834 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.938 7.745 -0.781 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.560 8.927 0.353 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.578 6.816 1.223 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.048 8.300 0.456 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.246 8.148 1.163 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.589 8.640 0.867 1.00 10.00 C ATOM 1212 C GLN A 94 -16.575 9.587 -0.333 1.00 10.00 C ATOM 1213 O GLN A 94 -17.550 9.672 -1.080 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.179 9.343 2.094 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.671 9.616 1.985 1.00 10.00 C ATOM 1216 CD GLN A 94 -19.355 9.715 3.337 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.764 10.156 4.323 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -20.610 9.299 3.391 1.00 10.00 N ATOM 0 H GLN A 94 -14.873 8.453 2.062 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.216 7.785 0.615 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.995 8.730 2.976 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.656 10.287 2.247 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.826 10.545 1.436 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.139 8.821 1.404 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -21.065 8.940 2.552 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -21.123 9.337 4.272 1.00 10.00 H new ATOM 1227 N THR A 95 -15.460 10.281 -0.526 1.00 10.00 N ATOM 1228 CA THR A 95 -15.321 11.217 -1.632 1.00 10.00 C ATOM 1229 C THR A 95 -15.230 10.491 -2.977 1.00 10.00 C ATOM 1230 O THR A 95 -15.482 11.080 -4.030 1.00 10.00 O ATOM 1231 CB THR A 95 -14.076 12.097 -1.439 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.426 11.748 -0.205 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.453 13.571 -1.423 1.00 10.00 C ATOM 0 H THR A 95 -14.637 10.212 0.072 1.00 10.00 H new ATOM 0 HA THR A 95 -16.212 11.844 -1.640 1.00 10.00 H new ATOM 0 HB THR A 95 -13.396 11.925 -2.273 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.631 12.309 -0.084 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.556 14.175 -1.285 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.927 13.836 -2.368 1.00 10.00 H new ATOM 0 HG23 THR A 95 -15.147 13.760 -0.604 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.858 9.212 -2.934 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.749 8.420 -4.149 1.00 10.00 C ATOM 1243 C GLY A 96 -13.474 8.693 -4.929 1.00 10.00 C ATOM 1244 O GLY A 96 -13.181 8.007 -5.909 1.00 10.00 O ATOM 0 H GLY A 96 -14.630 8.709 -2.076 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.789 7.362 -3.890 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.609 8.625 -4.787 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.713 9.681 -4.485 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.479 10.039 -5.155 1.00 10.00 C ATOM 1250 C GLY A 97 -11.131 11.497 -4.942 1.00 10.00 C ATOM 1251 O GLY A 97 -11.897 12.226 -4.302 1.00 10.00 O ATOM 0 H GLY A 97 -12.930 10.247 -3.665 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -10.668 9.413 -4.783 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.573 9.839 -6.222 1.00 10.00 H new ATOM 1256 N ASP B 195 -8.223 -20.372 -4.109 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.874 -19.165 -3.367 1.00 10.00 C ATOM 1258 C ASP B 195 -7.383 -18.091 -4.316 1.00 10.00 C ATOM 1259 O ASP B 195 -7.151 -18.363 -5.502 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.787 -19.460 -2.331 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.342 -20.033 -1.049 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -7.212 -21.259 -0.839 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -7.913 -19.266 -0.247 1.00 10.00 O ATOM 0 HA ASP B 195 -8.769 -18.815 -2.852 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.067 -20.160 -2.755 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.245 -18.541 -2.108 1.00 10.00 H new ATOM 1268 N THR B 196 -7.236 -16.873 -3.818 1.00 10.00 N ATOM 1269 CA THR B 196 -6.742 -15.796 -4.650 1.00 10.00 C ATOM 1270 C THR B 196 -5.455 -15.224 -4.071 1.00 10.00 C ATOM 1271 O THR B 196 -5.443 -14.723 -2.950 1.00 10.00 O ATOM 1272 CB THR B 196 -7.786 -14.670 -4.744 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.098 -15.236 -4.881 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.493 -13.752 -5.923 1.00 10.00 C ATOM 0 H THR B 196 -7.449 -16.611 -2.855 1.00 10.00 H new ATOM 0 HA THR B 196 -6.548 -16.200 -5.643 1.00 10.00 H new ATOM 0 HB THR B 196 -7.737 -14.078 -3.830 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.760 -14.516 -4.939 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.246 -12.965 -5.967 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.507 -13.305 -5.800 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.517 -14.329 -6.848 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.382 -15.294 -4.847 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.103 -14.748 -4.423 1.00 10.00 C ATOM 1284 C ALA B 197 -2.564 -13.797 -5.481 1.00 10.00 C ATOM 1285 O ALA B 197 -2.427 -14.179 -6.643 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.117 -15.872 -4.145 1.00 10.00 C ATOM 0 H ALA B 197 -4.373 -15.723 -5.772 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.244 -14.186 -3.500 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.163 -15.449 -3.828 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.510 -16.513 -3.356 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.970 -16.460 -5.051 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.255 -12.577 -5.090 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.719 -11.624 -6.038 1.00 10.00 C ATOM 1294 C GLY B 198 -0.408 -11.037 -5.578 1.00 10.00 C ATOM 1295 O GLY B 198 -0.326 -10.541 -4.463 1.00 10.00 O ATOM 0 H GLY B 198 -2.364 -12.227 -4.138 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.578 -12.113 -7.002 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.441 -10.821 -6.191 1.00 10.00 H new ATOM 1299 N CYS B 199 0.616 -11.073 -6.416 1.00 10.00 N ATOM 1300 CA CYS B 199 1.894 -10.484 -6.038 1.00 10.00 C ATOM 1301 C CYS B 199 2.260 -9.388 -7.024 1.00 10.00 C ATOM 1302 O CYS B 199 2.336 -9.620 -8.231 1.00 10.00 O ATOM 1303 CB CYS B 199 2.983 -11.555 -5.979 1.00 10.00 C ATOM 1304 SG CYS B 199 2.614 -12.894 -4.822 1.00 10.00 S ATOM 0 H CYS B 199 0.592 -11.494 -7.345 1.00 10.00 H new ATOM 0 HA CYS B 199 1.807 -10.046 -5.044 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.124 -11.974 -6.975 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.926 -11.088 -5.694 1.00 10.00 H new ATOM 0 HG CYS B 199 1.562 -12.586 -4.123 1.00 10.00 H new ATOM 1310 N ILE B 200 2.479 -8.197 -6.499 1.00 10.00 N ATOM 1311 CA ILE B 200 2.814 -7.041 -7.313 1.00 10.00 C ATOM 1312 C ILE B 200 4.110 -6.376 -6.849 1.00 10.00 C ATOM 1313 O ILE B 200 4.307 -6.166 -5.654 1.00 10.00 O ATOM 1314 CB ILE B 200 1.646 -6.024 -7.317 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.063 -4.685 -7.934 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.107 -5.818 -5.908 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.897 -3.750 -8.178 1.00 10.00 C ATOM 0 H ILE B 200 2.430 -8.003 -5.499 1.00 10.00 H new ATOM 0 HA ILE B 200 2.976 -7.391 -8.332 1.00 10.00 H new ATOM 0 HB ILE B 200 0.852 -6.440 -7.937 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.780 -4.196 -7.274 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.574 -4.871 -8.878 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.287 -5.100 -5.933 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.745 -6.768 -5.514 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.902 -5.438 -5.266 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.261 -2.821 -8.616 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.190 -4.221 -8.861 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.399 -3.535 -7.233 1.00 10.00 H new ATOM 1329 N VAL B 201 4.997 -6.064 -7.791 1.00 10.00 N ATOM 1330 CA VAL B 201 6.250 -5.403 -7.458 1.00 10.00 C ATOM 1331 C VAL B 201 6.299 -4.016 -8.124 1.00 10.00 C ATOM 1332 O VAL B 201 5.981 -3.864 -9.304 1.00 10.00 O ATOM 1333 CB VAL B 201 7.487 -6.241 -7.867 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.757 -6.144 -9.362 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.710 -5.802 -7.071 1.00 10.00 C ATOM 0 H VAL B 201 4.870 -6.258 -8.784 1.00 10.00 H new ATOM 0 HA VAL B 201 6.286 -5.293 -6.374 1.00 10.00 H new ATOM 0 HB VAL B 201 7.275 -7.285 -7.638 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.632 -6.744 -9.613 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.892 -6.514 -9.913 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.941 -5.104 -9.632 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.572 -6.399 -7.369 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.913 -4.749 -7.267 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.521 -5.943 -6.007 1.00 10.00 H new ATOM 1345 N ILE B 202 6.633 -3.013 -7.336 1.00 10.00 N ATOM 1346 CA ILE B 202 6.698 -1.630 -7.793 1.00 10.00 C ATOM 1347 C ILE B 202 8.085 -1.029 -7.556 1.00 10.00 C ATOM 1348 O ILE B 202 8.696 -1.300 -6.531 1.00 10.00 O ATOM 1349 CB ILE B 202 5.636 -0.787 -7.052 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.531 0.618 -7.636 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.950 -0.720 -5.567 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.700 0.694 -8.897 1.00 10.00 C ATOM 0 H ILE B 202 6.870 -3.131 -6.351 1.00 10.00 H new ATOM 0 HA ILE B 202 6.501 -1.618 -8.865 1.00 10.00 H new ATOM 0 HB ILE B 202 4.672 -1.277 -7.186 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.099 1.281 -6.887 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.534 0.988 -7.850 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.192 -0.122 -5.061 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.955 -1.727 -5.150 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.929 -0.262 -5.422 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.672 1.724 -9.253 1.00 10.00 H new ATOM 0 HD12 ILE B 202 5.143 0.058 -9.663 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.686 0.355 -8.685 1.00 10.00 H new