USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0224 (180deg=-0.227) USER MOD Single : A 3 SER OG : rot -49:sc= 0.807 USER MOD Single : A 4 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.19) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 6 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.48) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.12) USER MOD Single : A 23 SER OG : rot 88:sc= 0.669 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0789) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -87:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ 128:sc= -0.13 (180deg=-0.686) USER MOD Single : A 46 SER OG : rot 81:sc= 0.519 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.871 -7.462 -1.636 1.00 0.00 N ATOM 2 CA MET A 1 16.488 -7.000 -1.622 1.00 0.00 C ATOM 3 C MET A 1 15.522 -8.173 -1.762 1.00 0.00 C ATOM 4 O MET A 1 14.414 -8.145 -1.226 1.00 0.00 O ATOM 5 CB MET A 1 16.253 -5.993 -2.749 1.00 0.00 C ATOM 6 CG MET A 1 15.858 -4.610 -2.255 1.00 0.00 C ATOM 7 SD MET A 1 14.073 -4.409 -2.107 1.00 0.00 S ATOM 8 CE MET A 1 13.723 -3.412 -3.553 1.00 0.00 C ATOM 0 H1 MET A 1 18.497 -6.693 -1.323 1.00 0.00 H new ATOM 0 H2 MET A 1 17.972 -8.274 -0.994 1.00 0.00 H new ATOM 0 H3 MET A 1 18.131 -7.749 -2.601 1.00 0.00 H new ATOM 0 HA MET A 1 16.303 -6.512 -0.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.161 -5.911 -3.347 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.471 -6.372 -3.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.322 -4.429 -1.285 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.249 -3.858 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.654 -3.203 -3.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.274 -2.474 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.028 -3.952 -4.450 1.00 0.00 H new ATOM 18 N VAL A 2 15.948 -9.202 -2.487 1.00 0.00 N ATOM 19 CA VAL A 2 15.121 -10.384 -2.697 1.00 0.00 C ATOM 20 C VAL A 2 15.833 -11.645 -2.219 1.00 0.00 C ATOM 21 O VAL A 2 15.787 -12.684 -2.878 1.00 0.00 O ATOM 22 CB VAL A 2 14.747 -10.550 -4.182 1.00 0.00 C ATOM 23 CG1 VAL A 2 13.862 -9.402 -4.641 1.00 0.00 C ATOM 24 CG2 VAL A 2 16.000 -10.645 -5.039 1.00 0.00 C ATOM 0 H VAL A 2 16.862 -9.241 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 2 14.211 -10.242 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 2 14.186 -11.477 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.608 -9.536 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.949 -9.386 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.394 -8.459 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.717 -10.762 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.591 -9.736 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.591 -11.505 -4.725 1.00 0.00 H new ATOM 34 N SER A 3 16.491 -11.546 -1.069 1.00 0.00 N ATOM 35 CA SER A 3 17.217 -12.678 -0.504 1.00 0.00 C ATOM 36 C SER A 3 16.549 -13.166 0.778 1.00 0.00 C ATOM 37 O SER A 3 17.213 -13.672 1.682 1.00 0.00 O ATOM 38 CB SER A 3 18.669 -12.290 -0.220 1.00 0.00 C ATOM 39 OG SER A 3 19.421 -13.411 0.212 1.00 0.00 O ATOM 0 H SER A 3 16.537 -10.694 -0.510 1.00 0.00 H new ATOM 0 HA SER A 3 17.201 -13.488 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.119 -11.871 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.698 -11.512 0.543 1.00 0.00 H new ATOM 0 HG SER A 3 18.933 -13.879 0.922 1.00 0.00 H new ATOM 45 N GLN A 4 15.231 -13.009 0.848 1.00 0.00 N ATOM 46 CA GLN A 4 14.473 -13.432 2.020 1.00 0.00 C ATOM 47 C GLN A 4 13.149 -14.068 1.611 1.00 0.00 C ATOM 48 O GLN A 4 12.337 -13.449 0.922 1.00 0.00 O ATOM 49 CB GLN A 4 14.216 -12.241 2.945 1.00 0.00 C ATOM 50 CG GLN A 4 15.246 -12.099 4.054 1.00 0.00 C ATOM 51 CD GLN A 4 15.233 -13.271 5.016 1.00 0.00 C ATOM 52 OE1 GLN A 4 14.377 -13.357 5.897 1.00 0.00 O ATOM 53 NE2 GLN A 4 16.185 -14.183 4.851 1.00 0.00 N ATOM 0 H GLN A 4 14.666 -12.592 0.108 1.00 0.00 H new ATOM 0 HA GLN A 4 15.063 -14.177 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.205 -11.327 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.227 -12.344 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 4 16.239 -12.007 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 4 15.056 -11.179 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.874 -14.072 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.226 -14.994 5.468 1.00 0.00 H new ATOM 62 N LYS A 5 12.936 -15.308 2.039 1.00 0.00 N ATOM 63 CA LYS A 5 11.710 -16.029 1.718 1.00 0.00 C ATOM 64 C LYS A 5 11.678 -17.384 2.417 1.00 0.00 C ATOM 65 O LYS A 5 12.716 -18.008 2.629 1.00 0.00 O ATOM 66 CB LYS A 5 11.587 -16.219 0.205 1.00 0.00 C ATOM 67 CG LYS A 5 12.847 -16.767 -0.444 1.00 0.00 C ATOM 68 CD LYS A 5 13.649 -15.667 -1.119 1.00 0.00 C ATOM 69 CE LYS A 5 14.550 -16.225 -2.210 1.00 0.00 C ATOM 70 NZ LYS A 5 14.691 -15.278 -3.351 1.00 0.00 N ATOM 0 H LYS A 5 13.597 -15.835 2.610 1.00 0.00 H new ATOM 0 HA LYS A 5 10.866 -15.437 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.758 -16.896 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.339 -15.262 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.463 -17.257 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.579 -17.526 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.970 -14.930 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.254 -15.148 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.534 -16.441 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.142 -17.169 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.312 -15.695 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.755 -15.091 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.104 -14.386 -3.012 1.00 0.00 H new ATOM 84 N ASN A 6 10.478 -17.835 2.770 1.00 0.00 N ATOM 85 CA ASN A 6 10.311 -19.117 3.443 1.00 0.00 C ATOM 86 C ASN A 6 8.889 -19.643 3.268 1.00 0.00 C ATOM 87 O ASN A 6 8.074 -19.577 4.187 1.00 0.00 O ATOM 88 CB ASN A 6 10.636 -18.982 4.932 1.00 0.00 C ATOM 89 CG ASN A 6 10.397 -20.269 5.696 1.00 0.00 C ATOM 90 OD1 ASN A 6 9.410 -20.400 6.421 1.00 0.00 O ATOM 91 ND2 ASN A 6 11.301 -21.228 5.538 1.00 0.00 N ATOM 0 H ASN A 6 9.607 -17.331 2.601 1.00 0.00 H new ATOM 0 HA ASN A 6 11.001 -19.828 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.678 -18.682 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.026 -18.188 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 6 11.193 -22.116 6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.104 -21.077 4.927 1.00 0.00 H new ATOM 98 N GLY A 7 8.600 -20.166 2.080 1.00 0.00 N ATOM 99 CA GLY A 7 7.277 -20.695 1.806 1.00 0.00 C ATOM 100 C GLY A 7 7.256 -21.602 0.591 1.00 0.00 C ATOM 101 O GLY A 7 8.260 -21.736 -0.109 1.00 0.00 O ATOM 0 H GLY A 7 9.258 -20.233 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.923 -21.249 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.583 -19.869 1.651 1.00 0.00 H new ATOM 105 N ILE A 8 6.110 -22.227 0.341 1.00 0.00 N ATOM 106 CA ILE A 8 5.964 -23.126 -0.797 1.00 0.00 C ATOM 107 C ILE A 8 4.862 -22.648 -1.737 1.00 0.00 C ATOM 108 O ILE A 8 5.136 -22.178 -2.841 1.00 0.00 O ATOM 109 CB ILE A 8 5.647 -24.563 -0.342 1.00 0.00 C ATOM 110 CG1 ILE A 8 6.723 -25.064 0.623 1.00 0.00 C ATOM 111 CG2 ILE A 8 5.534 -25.487 -1.545 1.00 0.00 C ATOM 112 CD1 ILE A 8 6.412 -26.417 1.225 1.00 0.00 C ATOM 0 H ILE A 8 5.270 -22.127 0.911 1.00 0.00 H new ATOM 0 HA ILE A 8 6.917 -23.123 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 8 4.690 -24.561 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.675 -25.120 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.846 -24.338 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.310 -26.499 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.735 -25.137 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.476 -25.488 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.217 -26.709 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.476 -26.361 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.318 -27.156 0.430 1.00 0.00 H new ATOM 124 N ALA A 9 3.617 -22.769 -1.290 1.00 0.00 N ATOM 125 CA ALA A 9 2.474 -22.346 -2.090 1.00 0.00 C ATOM 126 C ALA A 9 2.469 -20.833 -2.283 1.00 0.00 C ATOM 127 O ALA A 9 2.363 -20.340 -3.406 1.00 0.00 O ATOM 128 CB ALA A 9 1.176 -22.802 -1.439 1.00 0.00 C ATOM 0 H ALA A 9 3.374 -23.156 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 9 2.557 -22.811 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.331 -22.479 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.171 -23.889 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.095 -22.365 -0.444 1.00 0.00 H new ATOM 134 N THR A 10 2.582 -20.100 -1.179 1.00 0.00 N ATOM 135 CA THR A 10 2.589 -18.644 -1.227 1.00 0.00 C ATOM 136 C THR A 10 3.838 -18.122 -1.927 1.00 0.00 C ATOM 137 O THR A 10 3.804 -17.083 -2.588 1.00 0.00 O ATOM 138 CB THR A 10 2.514 -18.035 0.186 1.00 0.00 C ATOM 139 OG1 THR A 10 1.358 -18.529 0.872 1.00 0.00 O ATOM 140 CG2 THR A 10 2.460 -16.517 0.119 1.00 0.00 C ATOM 0 H THR A 10 2.670 -20.492 -0.241 1.00 0.00 H new ATOM 0 HA THR A 10 1.707 -18.343 -1.792 1.00 0.00 H new ATOM 0 HB THR A 10 3.412 -18.327 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.319 -18.138 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.407 -16.110 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.355 -16.143 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.578 -16.209 -0.443 1.00 0.00 H new ATOM 148 N LEU A 11 4.941 -18.848 -1.779 1.00 0.00 N ATOM 149 CA LEU A 11 6.203 -18.459 -2.398 1.00 0.00 C ATOM 150 C LEU A 11 6.120 -18.568 -3.918 1.00 0.00 C ATOM 151 O LEU A 11 6.584 -17.685 -4.640 1.00 0.00 O ATOM 152 CB LEU A 11 7.342 -19.334 -1.874 1.00 0.00 C ATOM 153 CG LEU A 11 8.641 -19.298 -2.680 1.00 0.00 C ATOM 154 CD1 LEU A 11 9.846 -19.323 -1.753 1.00 0.00 C ATOM 155 CD2 LEU A 11 8.695 -20.464 -3.657 1.00 0.00 C ATOM 0 H LEU A 11 4.987 -19.710 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 11 6.402 -17.420 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.564 -19.032 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.992 -20.365 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 11 8.666 -18.369 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.761 -19.297 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.816 -18.456 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.826 -20.234 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.626 -20.422 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.647 -21.403 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.851 -20.403 -4.344 1.00 0.00 H new ATOM 167 N LEU A 12 5.525 -19.655 -4.396 1.00 0.00 N ATOM 168 CA LEU A 12 5.379 -19.879 -5.830 1.00 0.00 C ATOM 169 C LEU A 12 4.681 -18.698 -6.497 1.00 0.00 C ATOM 170 O LEU A 12 4.939 -18.389 -7.660 1.00 0.00 O ATOM 171 CB LEU A 12 4.590 -21.164 -6.088 1.00 0.00 C ATOM 172 CG LEU A 12 4.491 -21.610 -7.547 1.00 0.00 C ATOM 173 CD1 LEU A 12 5.556 -22.650 -7.860 1.00 0.00 C ATOM 174 CD2 LEU A 12 3.103 -22.158 -7.844 1.00 0.00 C ATOM 0 H LEU A 12 5.136 -20.395 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 12 6.375 -19.979 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.048 -21.969 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.580 -21.030 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 12 4.661 -20.743 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.470 -22.956 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.544 -22.223 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.418 -23.518 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.051 -22.471 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.904 -23.013 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.359 -21.383 -7.660 1.00 0.00 H new ATOM 186 N GLN A 13 3.798 -18.041 -5.752 1.00 0.00 N ATOM 187 CA GLN A 13 3.064 -16.893 -6.272 1.00 0.00 C ATOM 188 C GLN A 13 3.997 -15.706 -6.494 1.00 0.00 C ATOM 189 O GLN A 13 3.933 -15.039 -7.525 1.00 0.00 O ATOM 190 CB GLN A 13 1.941 -16.501 -5.311 1.00 0.00 C ATOM 191 CG GLN A 13 0.623 -17.202 -5.598 1.00 0.00 C ATOM 192 CD GLN A 13 -0.209 -17.416 -4.349 1.00 0.00 C ATOM 193 OE1 GLN A 13 -0.640 -16.459 -3.705 1.00 0.00 O ATOM 194 NE2 GLN A 13 -0.440 -18.676 -3.999 1.00 0.00 N ATOM 0 H GLN A 13 3.573 -18.284 -4.787 1.00 0.00 H new ATOM 0 HA GLN A 13 2.630 -17.175 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.250 -16.730 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.789 -15.423 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.051 -16.612 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.823 -18.166 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.064 -19.439 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.994 -18.881 -3.167 1.00 0.00 H new ATOM 203 N ALA A 14 4.862 -15.450 -5.518 1.00 0.00 N ATOM 204 CA ALA A 14 5.808 -14.345 -5.607 1.00 0.00 C ATOM 205 C ALA A 14 6.842 -14.594 -6.701 1.00 0.00 C ATOM 206 O ALA A 14 7.254 -13.669 -7.399 1.00 0.00 O ATOM 207 CB ALA A 14 6.496 -14.130 -4.267 1.00 0.00 C ATOM 0 H ALA A 14 4.927 -15.993 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 14 5.253 -13.444 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.200 -13.302 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.749 -13.899 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.033 -15.036 -3.984 1.00 0.00 H new ATOM 213 N GLU A 15 7.256 -15.850 -6.842 1.00 0.00 N ATOM 214 CA GLU A 15 8.243 -16.219 -7.850 1.00 0.00 C ATOM 215 C GLU A 15 7.661 -16.090 -9.254 1.00 0.00 C ATOM 216 O GLU A 15 8.297 -15.544 -10.156 1.00 0.00 O ATOM 217 CB GLU A 15 8.732 -17.650 -7.617 1.00 0.00 C ATOM 218 CG GLU A 15 10.021 -17.980 -8.351 1.00 0.00 C ATOM 219 CD GLU A 15 11.256 -17.680 -7.524 1.00 0.00 C ATOM 220 OE1 GLU A 15 11.110 -17.094 -6.431 1.00 0.00 O ATOM 221 OE2 GLU A 15 12.368 -18.031 -7.970 1.00 0.00 O ATOM 0 H GLU A 15 6.924 -16.628 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 15 9.088 -15.536 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.883 -17.804 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.955 -18.346 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.019 -19.035 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.062 -17.410 -9.279 1.00 0.00 H new ATOM 228 N LYS A 16 6.446 -16.598 -9.434 1.00 0.00 N ATOM 229 CA LYS A 16 5.776 -16.541 -10.727 1.00 0.00 C ATOM 230 C LYS A 16 5.503 -15.097 -11.135 1.00 0.00 C ATOM 231 O LYS A 16 5.825 -14.686 -12.249 1.00 0.00 O ATOM 232 CB LYS A 16 4.462 -17.325 -10.679 1.00 0.00 C ATOM 233 CG LYS A 16 4.530 -18.669 -11.383 1.00 0.00 C ATOM 234 CD LYS A 16 3.454 -18.796 -12.448 1.00 0.00 C ATOM 235 CE LYS A 16 2.249 -19.568 -11.935 1.00 0.00 C ATOM 236 NZ LYS A 16 1.555 -20.304 -13.028 1.00 0.00 N ATOM 0 H LYS A 16 5.905 -17.054 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 16 6.435 -16.992 -11.469 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.181 -17.483 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.674 -16.725 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.512 -18.792 -11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.416 -19.470 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.141 -17.803 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.865 -19.300 -13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.569 -20.274 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.551 -18.878 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.739 -20.817 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.227 -19.629 -13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.214 -20.981 -13.464 1.00 0.00 H new ATOM 250 N GLU A 17 4.909 -14.331 -10.225 1.00 0.00 N ATOM 251 CA GLU A 17 4.595 -12.933 -10.491 1.00 0.00 C ATOM 252 C GLU A 17 5.863 -12.136 -10.784 1.00 0.00 C ATOM 253 O GLU A 17 5.918 -11.367 -11.743 1.00 0.00 O ATOM 254 CB GLU A 17 3.856 -12.317 -9.301 1.00 0.00 C ATOM 255 CG GLU A 17 3.165 -11.004 -9.627 1.00 0.00 C ATOM 256 CD GLU A 17 1.653 -11.108 -9.560 1.00 0.00 C ATOM 257 OE1 GLU A 17 1.038 -11.480 -10.581 1.00 0.00 O ATOM 258 OE2 GLU A 17 1.086 -10.817 -8.486 1.00 0.00 O ATOM 0 H GLU A 17 4.636 -14.656 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 17 3.951 -12.894 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.114 -13.028 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.565 -12.153 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.504 -10.237 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.459 -10.681 -10.626 1.00 0.00 H new ATOM 265 N ALA A 18 6.880 -12.327 -9.950 1.00 0.00 N ATOM 266 CA ALA A 18 8.148 -11.628 -10.120 1.00 0.00 C ATOM 267 C ALA A 18 8.752 -11.911 -11.491 1.00 0.00 C ATOM 268 O ALA A 18 9.157 -10.992 -12.204 1.00 0.00 O ATOM 269 CB ALA A 18 9.121 -12.027 -9.020 1.00 0.00 C ATOM 0 H ALA A 18 6.851 -12.960 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 18 7.957 -10.557 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.064 -11.498 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.699 -11.768 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.298 -13.102 -9.063 1.00 0.00 H new ATOM 275 N HIS A 19 8.810 -13.188 -11.855 1.00 0.00 N ATOM 276 CA HIS A 19 9.364 -13.592 -13.143 1.00 0.00 C ATOM 277 C HIS A 19 8.514 -13.059 -14.292 1.00 0.00 C ATOM 278 O HIS A 19 9.032 -12.730 -15.358 1.00 0.00 O ATOM 279 CB HIS A 19 9.458 -15.116 -13.226 1.00 0.00 C ATOM 280 CG HIS A 19 10.405 -15.601 -14.281 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.693 -15.127 -14.411 1.00 0.00 N ATOM 282 CD2 HIS A 19 10.245 -16.524 -15.257 1.00 0.00 C ATOM 283 CE1 HIS A 19 12.284 -15.737 -15.423 1.00 0.00 C ATOM 284 NE2 HIS A 19 11.427 -16.590 -15.953 1.00 0.00 N ATOM 0 H HIS A 19 8.480 -13.961 -11.277 1.00 0.00 H new ATOM 0 HA HIS A 19 10.365 -13.169 -13.229 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.774 -15.506 -12.258 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.466 -15.523 -13.425 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.354 -17.102 -15.452 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.296 -15.567 -15.759 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.613 -17.199 -16.750 1.00 0.00 H new ATOM 292 N GLU A 20 7.207 -12.977 -14.066 1.00 0.00 N ATOM 293 CA GLU A 20 6.285 -12.485 -15.084 1.00 0.00 C ATOM 294 C GLU A 20 6.555 -11.017 -15.398 1.00 0.00 C ATOM 295 O GLU A 20 6.644 -10.627 -16.563 1.00 0.00 O ATOM 296 CB GLU A 20 4.838 -12.661 -14.621 1.00 0.00 C ATOM 297 CG GLU A 20 3.987 -13.476 -15.580 1.00 0.00 C ATOM 298 CD GLU A 20 3.806 -14.911 -15.126 1.00 0.00 C ATOM 299 OE1 GLU A 20 3.300 -15.118 -14.003 1.00 0.00 O ATOM 300 OE2 GLU A 20 4.171 -15.827 -15.892 1.00 0.00 O ATOM 0 H GLU A 20 6.762 -13.245 -13.188 1.00 0.00 H new ATOM 0 HA GLU A 20 6.442 -13.068 -15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.834 -13.145 -13.644 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.385 -11.678 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.009 -13.005 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.449 -13.467 -16.567 1.00 0.00 H new ATOM 307 N ILE A 21 6.685 -10.208 -14.352 1.00 0.00 N ATOM 308 CA ILE A 21 6.945 -8.783 -14.516 1.00 0.00 C ATOM 309 C ILE A 21 8.325 -8.542 -15.118 1.00 0.00 C ATOM 310 O ILE A 21 8.480 -7.745 -16.043 1.00 0.00 O ATOM 311 CB ILE A 21 6.845 -8.034 -13.174 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.457 -8.226 -12.560 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.144 -6.556 -13.369 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.342 -7.626 -13.387 1.00 0.00 C ATOM 0 H ILE A 21 6.615 -10.515 -13.382 1.00 0.00 H new ATOM 0 HA ILE A 21 6.183 -8.399 -15.194 1.00 0.00 H new ATOM 0 HB ILE A 21 7.585 -8.447 -12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.270 -9.292 -12.432 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.443 -7.778 -11.566 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.069 -6.040 -12.412 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.152 -6.438 -13.767 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.425 -6.129 -14.068 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.387 -7.800 -12.891 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.505 -6.554 -13.494 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.329 -8.091 -14.373 1.00 0.00 H new ATOM 326 N VAL A 22 9.326 -9.239 -14.588 1.00 0.00 N ATOM 327 CA VAL A 22 10.693 -9.103 -15.075 1.00 0.00 C ATOM 328 C VAL A 22 10.813 -9.579 -16.518 1.00 0.00 C ATOM 329 O VAL A 22 11.559 -9.006 -17.312 1.00 0.00 O ATOM 330 CB VAL A 22 11.682 -9.898 -14.200 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.096 -9.775 -14.747 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.616 -9.423 -12.757 1.00 0.00 C ATOM 0 H VAL A 22 9.215 -9.903 -13.822 1.00 0.00 H new ATOM 0 HA VAL A 22 10.943 -8.043 -15.023 1.00 0.00 H new ATOM 0 HB VAL A 22 11.399 -10.950 -14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.781 -10.343 -14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.128 -10.168 -15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.394 -8.726 -14.754 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.321 -9.995 -12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.873 -8.365 -12.710 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.607 -9.568 -12.372 1.00 0.00 H new ATOM 342 N SER A 23 10.072 -10.631 -16.852 1.00 0.00 N ATOM 343 CA SER A 23 10.097 -11.186 -18.200 1.00 0.00 C ATOM 344 C SER A 23 9.445 -10.230 -19.194 1.00 0.00 C ATOM 345 O SER A 23 9.979 -9.980 -20.275 1.00 0.00 O ATOM 346 CB SER A 23 9.380 -12.538 -18.230 1.00 0.00 C ATOM 347 OG SER A 23 10.204 -13.564 -17.706 1.00 0.00 O ATOM 0 H SER A 23 9.447 -11.116 -16.208 1.00 0.00 H new ATOM 0 HA SER A 23 11.138 -11.328 -18.489 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.458 -12.477 -17.652 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.098 -12.781 -19.255 1.00 0.00 H new ATOM 0 HG SER A 23 10.080 -13.619 -16.735 1.00 0.00 H new ATOM 353 N LYS A 24 8.287 -9.696 -18.820 1.00 0.00 N ATOM 354 CA LYS A 24 7.561 -8.766 -19.676 1.00 0.00 C ATOM 355 C LYS A 24 8.327 -7.456 -19.829 1.00 0.00 C ATOM 356 O LYS A 24 8.447 -6.922 -20.931 1.00 0.00 O ATOM 357 CB LYS A 24 6.170 -8.491 -19.100 1.00 0.00 C ATOM 358 CG LYS A 24 5.081 -9.365 -19.698 1.00 0.00 C ATOM 359 CD LYS A 24 3.703 -8.757 -19.492 1.00 0.00 C ATOM 360 CE LYS A 24 2.636 -9.525 -20.256 1.00 0.00 C ATOM 361 NZ LYS A 24 1.426 -9.773 -19.423 1.00 0.00 N ATOM 0 H LYS A 24 7.831 -9.892 -17.929 1.00 0.00 H new ATOM 0 HA LYS A 24 7.457 -9.223 -20.660 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.196 -8.644 -18.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.917 -7.444 -19.267 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.265 -9.499 -20.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.115 -10.354 -19.242 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.460 -8.754 -18.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.710 -7.718 -19.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.354 -8.965 -21.148 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.046 -10.477 -20.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.723 -10.299 -19.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.690 -10.329 -18.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.020 -8.864 -19.122 1.00 0.00 H new ATOM 375 N ALA A 25 8.845 -6.945 -18.717 1.00 0.00 N ATOM 376 CA ALA A 25 9.603 -5.700 -18.729 1.00 0.00 C ATOM 377 C ALA A 25 10.902 -5.855 -19.513 1.00 0.00 C ATOM 378 O ALA A 25 11.257 -4.996 -20.319 1.00 0.00 O ATOM 379 CB ALA A 25 9.894 -5.246 -17.306 1.00 0.00 C ATOM 0 H ALA A 25 8.753 -7.374 -17.796 1.00 0.00 H new ATOM 0 HA ALA A 25 8.999 -4.940 -19.225 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.461 -4.315 -17.330 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.955 -5.086 -16.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.475 -6.011 -16.792 1.00 0.00 H new ATOM 385 N ARG A 26 11.606 -6.956 -19.270 1.00 0.00 N ATOM 386 CA ARG A 26 12.867 -7.222 -19.952 1.00 0.00 C ATOM 387 C ARG A 26 12.642 -7.432 -21.447 1.00 0.00 C ATOM 388 O ARG A 26 13.418 -6.954 -22.275 1.00 0.00 O ATOM 389 CB ARG A 26 13.547 -8.453 -19.350 1.00 0.00 C ATOM 390 CG ARG A 26 14.804 -8.878 -20.091 1.00 0.00 C ATOM 391 CD ARG A 26 14.495 -9.910 -21.164 1.00 0.00 C ATOM 392 NE ARG A 26 14.841 -11.264 -20.736 1.00 0.00 N ATOM 393 CZ ARG A 26 14.376 -12.361 -21.323 1.00 0.00 C ATOM 394 NH1 ARG A 26 13.551 -12.265 -22.357 1.00 0.00 N ATOM 395 NH2 ARG A 26 14.736 -13.557 -20.877 1.00 0.00 N ATOM 0 H ARG A 26 11.325 -7.678 -18.606 1.00 0.00 H new ATOM 0 HA ARG A 26 13.514 -6.356 -19.817 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.801 -8.245 -18.311 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.840 -9.283 -19.346 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.271 -8.005 -20.547 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.523 -9.291 -19.383 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.435 -9.868 -21.413 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.046 -9.665 -22.072 1.00 0.00 H new ATOM 0 HE ARG A 26 15.474 -11.372 -19.943 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.272 -11.347 -22.703 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.195 -13.109 -22.806 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.371 -13.635 -20.082 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.378 -14.399 -21.329 1.00 0.00 H new ATOM 409 N LYS A 27 11.577 -8.150 -21.784 1.00 0.00 N ATOM 410 CA LYS A 27 11.248 -8.423 -23.178 1.00 0.00 C ATOM 411 C LYS A 27 10.908 -7.135 -23.920 1.00 0.00 C ATOM 412 O LYS A 27 11.403 -6.891 -25.020 1.00 0.00 O ATOM 413 CB LYS A 27 10.073 -9.400 -23.265 1.00 0.00 C ATOM 414 CG LYS A 27 9.664 -9.735 -24.689 1.00 0.00 C ATOM 415 CD LYS A 27 8.395 -9.004 -25.091 1.00 0.00 C ATOM 416 CE LYS A 27 8.401 -8.648 -26.570 1.00 0.00 C ATOM 417 NZ LYS A 27 8.571 -9.852 -27.430 1.00 0.00 N ATOM 0 H LYS A 27 10.926 -8.554 -21.110 1.00 0.00 H new ATOM 0 HA LYS A 27 12.122 -8.873 -23.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.338 -10.321 -22.746 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.218 -8.974 -22.741 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.470 -9.469 -25.372 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.510 -10.810 -24.781 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.529 -9.628 -24.869 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.294 -8.095 -24.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.467 -8.147 -26.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.207 -7.942 -26.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.402 -9.596 -28.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.539 -10.218 -27.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.891 -10.584 -27.141 1.00 0.00 H new ATOM 431 N TYR A 28 10.061 -6.313 -23.310 1.00 0.00 N ATOM 432 CA TYR A 28 9.653 -5.050 -23.914 1.00 0.00 C ATOM 433 C TYR A 28 10.826 -4.076 -23.984 1.00 0.00 C ATOM 434 O TYR A 28 10.999 -3.365 -24.973 1.00 0.00 O ATOM 435 CB TYR A 28 8.506 -4.426 -23.117 1.00 0.00 C ATOM 436 CG TYR A 28 7.205 -4.355 -23.884 1.00 0.00 C ATOM 437 CD1 TYR A 28 6.971 -3.337 -24.800 1.00 0.00 C ATOM 438 CD2 TYR A 28 6.209 -5.305 -23.692 1.00 0.00 C ATOM 439 CE1 TYR A 28 5.784 -3.267 -25.503 1.00 0.00 C ATOM 440 CE2 TYR A 28 5.020 -5.244 -24.392 1.00 0.00 C ATOM 441 CZ TYR A 28 4.812 -4.223 -25.296 1.00 0.00 C ATOM 442 OH TYR A 28 3.627 -4.158 -25.993 1.00 0.00 O ATOM 0 H TYR A 28 9.644 -6.499 -22.398 1.00 0.00 H new ATOM 0 HA TYR A 28 9.312 -5.255 -24.929 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.350 -5.005 -22.207 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.793 -3.420 -22.810 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.731 -2.587 -24.965 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.367 -6.104 -22.983 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.618 -2.468 -26.211 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.257 -5.992 -24.232 1.00 0.00 H new ATOM 0 HH TYR A 28 3.052 -4.907 -25.731 1.00 0.00 H new ATOM 452 N ARG A 29 11.630 -4.052 -22.926 1.00 0.00 N ATOM 453 CA ARG A 29 12.787 -3.167 -22.865 1.00 0.00 C ATOM 454 C ARG A 29 13.820 -3.549 -23.921 1.00 0.00 C ATOM 455 O ARG A 29 14.363 -2.688 -24.612 1.00 0.00 O ATOM 456 CB ARG A 29 13.422 -3.216 -21.474 1.00 0.00 C ATOM 457 CG ARG A 29 14.530 -2.195 -21.274 1.00 0.00 C ATOM 458 CD ARG A 29 15.754 -2.822 -20.625 1.00 0.00 C ATOM 459 NE ARG A 29 16.321 -1.968 -19.586 1.00 0.00 N ATOM 460 CZ ARG A 29 15.734 -1.747 -18.415 1.00 0.00 C ATOM 461 NH1 ARG A 29 14.570 -2.316 -18.135 1.00 0.00 N ATOM 462 NH2 ARG A 29 16.313 -0.956 -17.520 1.00 0.00 N ATOM 0 H ARG A 29 11.501 -4.635 -22.099 1.00 0.00 H new ATOM 0 HA ARG A 29 12.446 -2.151 -23.065 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.648 -3.051 -20.725 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.824 -4.214 -21.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.807 -1.764 -22.236 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.165 -1.378 -20.652 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.482 -3.785 -20.194 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.509 -3.016 -21.387 1.00 0.00 H new ATOM 0 HE ARG A 29 17.217 -1.516 -19.769 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.123 -2.926 -18.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.122 -2.144 -17.235 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.209 -0.517 -17.731 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.862 -0.787 -16.621 1.00 0.00 H new ATOM 476 N GLN A 30 14.086 -4.846 -24.039 1.00 0.00 N ATOM 477 CA GLN A 30 15.055 -5.342 -25.010 1.00 0.00 C ATOM 478 C GLN A 30 14.548 -5.143 -26.434 1.00 0.00 C ATOM 479 O GLN A 30 15.317 -4.808 -27.336 1.00 0.00 O ATOM 480 CB GLN A 30 15.345 -6.823 -24.761 1.00 0.00 C ATOM 481 CG GLN A 30 16.616 -7.315 -25.435 1.00 0.00 C ATOM 482 CD GLN A 30 17.853 -7.079 -24.590 1.00 0.00 C ATOM 483 OE1 GLN A 30 18.182 -7.879 -23.713 1.00 0.00 O ATOM 484 NE2 GLN A 30 18.547 -5.977 -24.851 1.00 0.00 N ATOM 0 H GLN A 30 13.645 -5.572 -23.475 1.00 0.00 H new ATOM 0 HA GLN A 30 15.977 -4.773 -24.889 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.423 -6.994 -23.687 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.502 -7.415 -25.117 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.522 -8.380 -25.646 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.733 -6.810 -26.394 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.238 -5.342 -25.587 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.389 -5.766 -24.316 1.00 0.00 H new ATOM 493 N ASP A 31 13.251 -5.353 -26.630 1.00 0.00 N ATOM 494 CA ASP A 31 12.641 -5.196 -27.946 1.00 0.00 C ATOM 495 C ASP A 31 12.691 -3.740 -28.398 1.00 0.00 C ATOM 496 O ASP A 31 12.984 -3.448 -29.558 1.00 0.00 O ATOM 497 CB ASP A 31 11.193 -5.686 -27.922 1.00 0.00 C ATOM 498 CG ASP A 31 10.665 -6.002 -29.308 1.00 0.00 C ATOM 499 OD1 ASP A 31 10.615 -5.079 -30.147 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.302 -7.171 -29.552 1.00 0.00 O ATOM 0 H ASP A 31 12.602 -5.632 -25.895 1.00 0.00 H new ATOM 0 HA ASP A 31 13.208 -5.798 -28.656 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.125 -6.577 -27.298 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.563 -4.925 -27.461 1.00 0.00 H new ATOM 505 N LYS A 32 12.403 -2.829 -27.475 1.00 0.00 N ATOM 506 CA LYS A 32 12.415 -1.403 -27.777 1.00 0.00 C ATOM 507 C LYS A 32 13.840 -0.904 -27.993 1.00 0.00 C ATOM 508 O LYS A 32 14.116 -0.178 -28.949 1.00 0.00 O ATOM 509 CB LYS A 32 11.755 -0.615 -26.643 1.00 0.00 C ATOM 510 CG LYS A 32 10.805 0.467 -27.127 1.00 0.00 C ATOM 511 CD LYS A 32 9.428 -0.097 -27.435 1.00 0.00 C ATOM 512 CE LYS A 32 8.369 0.480 -26.508 1.00 0.00 C ATOM 513 NZ LYS A 32 7.705 1.674 -27.100 1.00 0.00 N ATOM 0 H LYS A 32 12.158 -3.053 -26.511 1.00 0.00 H new ATOM 0 HA LYS A 32 11.851 -1.248 -28.697 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.208 -1.306 -26.002 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.531 -0.157 -26.030 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.719 1.244 -26.367 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.214 0.939 -28.020 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.166 0.124 -28.470 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.448 -1.182 -27.336 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.620 -0.282 -26.293 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.828 0.753 -25.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.990 2.038 -26.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.415 2.412 -27.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.245 1.408 -27.994 1.00 0.00 H new ATOM 527 N LEU A 33 14.742 -1.299 -27.102 1.00 0.00 N ATOM 528 CA LEU A 33 16.140 -0.894 -27.196 1.00 0.00 C ATOM 529 C LEU A 33 16.790 -1.468 -28.451 1.00 0.00 C ATOM 530 O LEU A 33 17.551 -0.786 -29.138 1.00 0.00 O ATOM 531 CB LEU A 33 16.909 -1.350 -25.955 1.00 0.00 C ATOM 532 CG LEU A 33 16.674 -0.535 -24.683 1.00 0.00 C ATOM 533 CD1 LEU A 33 17.386 -1.175 -23.501 1.00 0.00 C ATOM 534 CD2 LEU A 33 17.141 0.900 -24.875 1.00 0.00 C ATOM 0 H LEU A 33 14.530 -1.900 -26.305 1.00 0.00 H new ATOM 0 HA LEU A 33 16.174 0.194 -27.257 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.647 -2.388 -25.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.974 -1.329 -26.184 1.00 0.00 H new ATOM 0 HG LEU A 33 15.604 -0.523 -24.474 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.208 -0.582 -22.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.004 -2.185 -23.350 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.457 -1.218 -23.701 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.966 1.465 -23.960 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.206 0.908 -25.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.586 1.356 -25.695 1.00 0.00 H new ATOM 546 N LYS A 34 16.483 -2.727 -28.746 1.00 0.00 N ATOM 547 CA LYS A 34 17.034 -3.394 -29.920 1.00 0.00 C ATOM 548 C LYS A 34 16.484 -2.780 -31.203 1.00 0.00 C ATOM 549 O LYS A 34 17.241 -2.427 -32.107 1.00 0.00 O ATOM 550 CB LYS A 34 16.713 -4.890 -29.880 1.00 0.00 C ATOM 551 CG LYS A 34 17.303 -5.670 -31.041 1.00 0.00 C ATOM 552 CD LYS A 34 16.219 -6.316 -31.888 1.00 0.00 C ATOM 553 CE LYS A 34 15.668 -7.569 -31.226 1.00 0.00 C ATOM 554 NZ LYS A 34 14.994 -8.464 -32.208 1.00 0.00 N ATOM 0 H LYS A 34 15.855 -3.306 -28.188 1.00 0.00 H new ATOM 0 HA LYS A 34 18.116 -3.260 -29.908 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.086 -5.308 -28.945 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.631 -5.021 -29.878 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.902 -5.003 -31.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.975 -6.439 -30.660 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.410 -5.604 -32.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.624 -6.569 -32.868 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.480 -8.110 -30.739 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.960 -7.287 -30.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.632 -9.307 -31.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.203 -7.957 -32.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.676 -8.754 -32.938 1.00 0.00 H new ATOM 568 N GLN A 35 15.162 -2.653 -31.274 1.00 0.00 N ATOM 569 CA GLN A 35 14.512 -2.080 -32.447 1.00 0.00 C ATOM 570 C GLN A 35 14.961 -0.639 -32.668 1.00 0.00 C ATOM 571 O GLN A 35 15.235 -0.231 -33.796 1.00 0.00 O ATOM 572 CB GLN A 35 12.991 -2.135 -32.291 1.00 0.00 C ATOM 573 CG GLN A 35 12.237 -1.811 -33.570 1.00 0.00 C ATOM 574 CD GLN A 35 12.254 -2.955 -34.564 1.00 0.00 C ATOM 575 OE1 GLN A 35 13.316 -3.378 -35.023 1.00 0.00 O ATOM 576 NE2 GLN A 35 11.075 -3.464 -34.903 1.00 0.00 N ATOM 0 H GLN A 35 14.521 -2.939 -30.534 1.00 0.00 H new ATOM 0 HA GLN A 35 14.802 -2.669 -33.317 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.704 -3.131 -31.952 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.688 -1.434 -31.513 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.204 -1.563 -33.325 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.676 -0.927 -34.032 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.220 -3.083 -34.498 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.025 -4.236 -35.568 1.00 0.00 H new ATOM 585 N ALA A 36 15.032 0.126 -31.584 1.00 0.00 N ATOM 586 CA ALA A 36 15.449 1.521 -31.660 1.00 0.00 C ATOM 587 C ALA A 36 16.914 1.634 -32.068 1.00 0.00 C ATOM 588 O ALA A 36 17.265 2.414 -32.954 1.00 0.00 O ATOM 589 CB ALA A 36 15.215 2.215 -30.327 1.00 0.00 C ATOM 0 H ALA A 36 14.806 -0.196 -30.643 1.00 0.00 H new ATOM 0 HA ALA A 36 14.847 2.014 -32.424 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.531 3.256 -30.398 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.155 2.174 -30.076 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.791 1.713 -29.550 1.00 0.00 H new ATOM 595 N LYS A 37 17.767 0.852 -31.416 1.00 0.00 N ATOM 596 CA LYS A 37 19.196 0.863 -31.710 1.00 0.00 C ATOM 597 C LYS A 37 19.452 0.522 -33.174 1.00 0.00 C ATOM 598 O LYS A 37 20.212 1.207 -33.859 1.00 0.00 O ATOM 599 CB LYS A 37 19.931 -0.129 -30.807 1.00 0.00 C ATOM 600 CG LYS A 37 21.442 -0.082 -30.955 1.00 0.00 C ATOM 601 CD LYS A 37 22.103 0.531 -29.731 1.00 0.00 C ATOM 602 CE LYS A 37 23.610 0.642 -29.909 1.00 0.00 C ATOM 603 NZ LYS A 37 24.209 1.623 -28.962 1.00 0.00 N ATOM 0 H LYS A 37 17.494 0.202 -30.679 1.00 0.00 H new ATOM 0 HA LYS A 37 19.574 1.867 -31.518 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.670 0.075 -29.769 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.584 -1.138 -31.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.825 -1.091 -31.110 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.704 0.498 -31.840 1.00 0.00 H new ATOM 0 HD2 LYS A 37 21.683 1.520 -29.546 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.883 -0.078 -28.854 1.00 0.00 H new ATOM 0 HE2 LYS A 37 24.067 -0.336 -29.756 1.00 0.00 H new ATOM 0 HE3 LYS A 37 23.834 0.942 -30.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 25.237 1.670 -29.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.792 2.562 -29.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 24.018 1.323 -27.985 1.00 0.00 H new ATOM 617 N THR A 38 18.813 -0.542 -33.650 1.00 0.00 N ATOM 618 CA THR A 38 18.972 -0.975 -35.033 1.00 0.00 C ATOM 619 C THR A 38 18.549 0.122 -36.003 1.00 0.00 C ATOM 620 O THR A 38 19.234 0.388 -36.991 1.00 0.00 O ATOM 621 CB THR A 38 18.150 -2.245 -35.322 1.00 0.00 C ATOM 622 OG1 THR A 38 16.863 -2.148 -34.702 1.00 0.00 O ATOM 623 CG2 THR A 38 18.871 -3.484 -34.813 1.00 0.00 C ATOM 0 H THR A 38 18.180 -1.120 -33.098 1.00 0.00 H new ATOM 0 HA THR A 38 20.030 -1.196 -35.176 1.00 0.00 H new ATOM 0 HB THR A 38 18.027 -2.333 -36.401 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.917 -2.480 -33.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.271 -4.368 -35.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.838 -3.572 -35.309 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.021 -3.401 -33.737 1.00 0.00 H new ATOM 631 N ASP A 39 17.418 0.757 -35.716 1.00 0.00 N ATOM 632 CA ASP A 39 16.905 1.827 -36.563 1.00 0.00 C ATOM 633 C ASP A 39 17.896 2.985 -36.635 1.00 0.00 C ATOM 634 O ASP A 39 18.159 3.524 -37.710 1.00 0.00 O ATOM 635 CB ASP A 39 15.559 2.324 -36.035 1.00 0.00 C ATOM 636 CG ASP A 39 14.936 3.374 -36.934 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.441 4.515 -36.950 1.00 0.00 O ATOM 638 OD2 ASP A 39 13.942 3.054 -37.620 1.00 0.00 O ATOM 0 H ASP A 39 16.839 0.549 -34.903 1.00 0.00 H new ATOM 0 HA ASP A 39 16.767 1.427 -37.567 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.876 1.480 -35.939 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.695 2.739 -35.036 1.00 0.00 H new ATOM 643 N ALA A 40 18.441 3.363 -35.483 1.00 0.00 N ATOM 644 CA ALA A 40 19.402 4.457 -35.416 1.00 0.00 C ATOM 645 C ALA A 40 20.650 4.142 -36.235 1.00 0.00 C ATOM 646 O ALA A 40 21.126 4.977 -37.003 1.00 0.00 O ATOM 647 CB ALA A 40 19.777 4.741 -33.969 1.00 0.00 C ATOM 0 H ALA A 40 18.233 2.928 -34.584 1.00 0.00 H new ATOM 0 HA ALA A 40 18.935 5.345 -35.841 1.00 0.00 H new ATOM 0 HB1 ALA A 40 20.495 5.560 -33.933 1.00 0.00 H new ATOM 0 HB2 ALA A 40 18.884 5.017 -33.409 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.221 3.849 -33.527 1.00 0.00 H new ATOM 653 N ALA A 41 21.173 2.932 -36.066 1.00 0.00 N ATOM 654 CA ALA A 41 22.365 2.508 -36.791 1.00 0.00 C ATOM 655 C ALA A 41 22.117 2.496 -38.295 1.00 0.00 C ATOM 656 O ALA A 41 22.981 2.886 -39.081 1.00 0.00 O ATOM 657 CB ALA A 41 22.808 1.132 -36.317 1.00 0.00 C ATOM 0 H ALA A 41 20.791 2.229 -35.434 1.00 0.00 H new ATOM 0 HA ALA A 41 23.160 3.225 -36.586 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.699 0.827 -36.866 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.034 1.170 -35.251 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.009 0.412 -36.493 1.00 0.00 H new ATOM 663 N LYS A 42 20.931 2.047 -38.692 1.00 0.00 N ATOM 664 CA LYS A 42 20.568 1.985 -40.102 1.00 0.00 C ATOM 665 C LYS A 42 20.428 3.385 -40.690 1.00 0.00 C ATOM 666 O LYS A 42 20.802 3.627 -41.837 1.00 0.00 O ATOM 667 CB LYS A 42 19.259 1.212 -40.280 1.00 0.00 C ATOM 668 CG LYS A 42 19.286 0.228 -41.437 1.00 0.00 C ATOM 669 CD LYS A 42 20.171 -0.969 -41.130 1.00 0.00 C ATOM 670 CE LYS A 42 19.425 -2.021 -40.325 1.00 0.00 C ATOM 671 NZ LYS A 42 18.257 -2.566 -41.070 1.00 0.00 N ATOM 0 H LYS A 42 20.204 1.720 -38.055 1.00 0.00 H new ATOM 0 HA LYS A 42 21.365 1.465 -40.634 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.038 0.672 -39.360 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.446 1.921 -40.436 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.273 -0.113 -41.650 1.00 0.00 H new ATOM 0 HG3 LYS A 42 19.649 0.730 -42.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 20.528 -1.408 -42.062 1.00 0.00 H new ATOM 0 HD3 LYS A 42 21.050 -0.640 -40.575 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.105 -2.834 -40.072 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.085 -1.585 -39.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.306 -3.605 -41.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.377 -2.265 -40.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.271 -2.209 -42.047 1.00 0.00 H new ATOM 685 N GLU A 43 19.887 4.304 -39.896 1.00 0.00 N ATOM 686 CA GLU A 43 19.699 5.681 -40.339 1.00 0.00 C ATOM 687 C GLU A 43 21.042 6.374 -40.545 1.00 0.00 C ATOM 688 O GLU A 43 21.261 7.036 -41.560 1.00 0.00 O ATOM 689 CB GLU A 43 18.862 6.458 -39.320 1.00 0.00 C ATOM 690 CG GLU A 43 18.342 7.785 -39.846 1.00 0.00 C ATOM 691 CD GLU A 43 18.821 8.966 -39.025 1.00 0.00 C ATOM 692 OE1 GLU A 43 20.042 9.226 -39.016 1.00 0.00 O ATOM 693 OE2 GLU A 43 17.974 9.631 -38.392 1.00 0.00 O ATOM 0 H GLU A 43 19.571 4.120 -38.944 1.00 0.00 H new ATOM 0 HA GLU A 43 19.171 5.660 -41.292 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.017 5.843 -39.012 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.465 6.640 -38.430 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.662 7.912 -40.880 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.252 7.768 -39.850 1.00 0.00 H new ATOM 700 N ILE A 44 21.937 6.218 -39.576 1.00 0.00 N ATOM 701 CA ILE A 44 23.259 6.828 -39.651 1.00 0.00 C ATOM 702 C ILE A 44 24.113 6.160 -40.723 1.00 0.00 C ATOM 703 O ILE A 44 24.938 6.808 -41.367 1.00 0.00 O ATOM 704 CB ILE A 44 23.994 6.747 -38.300 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.212 5.286 -37.901 1.00 0.00 C ATOM 706 CG2 ILE A 44 23.210 7.484 -37.225 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.912 5.122 -36.570 1.00 0.00 C ATOM 0 H ILE A 44 21.771 5.674 -38.729 1.00 0.00 H new ATOM 0 HA ILE A 44 23.109 7.876 -39.911 1.00 0.00 H new ATOM 0 HB ILE A 44 24.968 7.225 -38.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.247 4.781 -37.860 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.798 4.790 -38.674 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.743 7.418 -36.276 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.101 8.531 -37.507 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.224 7.032 -37.120 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.033 4.061 -36.351 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.892 5.598 -36.613 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.316 5.589 -35.786 1.00 0.00 H new ATOM 719 N ASP A 45 23.907 4.861 -40.911 1.00 0.00 N ATOM 720 CA ASP A 45 24.656 4.104 -41.907 1.00 0.00 C ATOM 721 C ASP A 45 24.275 4.539 -43.319 1.00 0.00 C ATOM 722 O ASP A 45 25.141 4.775 -44.161 1.00 0.00 O ATOM 723 CB ASP A 45 24.404 2.605 -41.736 1.00 0.00 C ATOM 724 CG ASP A 45 25.344 1.761 -42.573 1.00 0.00 C ATOM 725 OD1 ASP A 45 26.520 1.615 -42.179 1.00 0.00 O ATOM 726 OD2 ASP A 45 24.904 1.245 -43.622 1.00 0.00 O ATOM 0 H ASP A 45 23.227 4.310 -40.386 1.00 0.00 H new ATOM 0 HA ASP A 45 25.717 4.305 -41.758 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.518 2.338 -40.685 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.374 2.379 -42.012 1.00 0.00 H new ATOM 731 N SER A 46 22.974 4.642 -43.570 1.00 0.00 N ATOM 732 CA SER A 46 22.478 5.044 -44.881 1.00 0.00 C ATOM 733 C SER A 46 22.810 6.506 -45.163 1.00 0.00 C ATOM 734 O SER A 46 23.232 6.857 -46.265 1.00 0.00 O ATOM 735 CB SER A 46 20.966 4.827 -44.966 1.00 0.00 C ATOM 736 OG SER A 46 20.634 3.464 -44.763 1.00 0.00 O ATOM 0 H SER A 46 22.244 4.453 -42.883 1.00 0.00 H new ATOM 0 HA SER A 46 22.970 4.427 -45.633 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.465 5.442 -44.219 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.603 5.152 -45.941 1.00 0.00 H new ATOM 0 HG SER A 46 20.629 3.268 -43.803 1.00 0.00 H new ATOM 742 N TYR A 47 22.616 7.354 -44.159 1.00 0.00 N ATOM 743 CA TYR A 47 22.892 8.779 -44.299 1.00 0.00 C ATOM 744 C TYR A 47 24.384 9.028 -44.498 1.00 0.00 C ATOM 745 O TYR A 47 24.783 9.909 -45.260 1.00 0.00 O ATOM 746 CB TYR A 47 22.398 9.538 -43.066 1.00 0.00 C ATOM 747 CG TYR A 47 20.951 9.969 -43.160 1.00 0.00 C ATOM 748 CD1 TYR A 47 19.951 9.050 -43.455 1.00 0.00 C ATOM 749 CD2 TYR A 47 20.585 11.293 -42.955 1.00 0.00 C ATOM 750 CE1 TYR A 47 18.628 9.439 -43.543 1.00 0.00 C ATOM 751 CE2 TYR A 47 19.265 11.690 -43.039 1.00 0.00 C ATOM 752 CZ TYR A 47 18.290 10.760 -43.334 1.00 0.00 C ATOM 753 OH TYR A 47 16.974 11.151 -43.420 1.00 0.00 O ATOM 0 H TYR A 47 22.269 7.080 -43.240 1.00 0.00 H new ATOM 0 HA TYR A 47 22.361 9.142 -45.179 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.524 8.907 -42.186 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.022 10.419 -42.918 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.212 8.015 -43.618 1.00 0.00 H new ATOM 0 HD2 TYR A 47 21.346 12.025 -42.726 1.00 0.00 H new ATOM 0 HE1 TYR A 47 17.863 8.713 -43.774 1.00 0.00 H new ATOM 0 HE2 TYR A 47 18.997 12.723 -42.875 1.00 0.00 H new ATOM 0 HH TYR A 47 16.906 12.113 -43.245 1.00 0.00 H new ATOM 763 N LYS A 48 25.206 8.243 -43.809 1.00 0.00 N ATOM 764 CA LYS A 48 26.654 8.375 -43.909 1.00 0.00 C ATOM 765 C LYS A 48 27.149 7.910 -45.275 1.00 0.00 C ATOM 766 O LYS A 48 27.982 8.566 -45.900 1.00 0.00 O ATOM 767 CB LYS A 48 27.339 7.566 -42.805 1.00 0.00 C ATOM 768 CG LYS A 48 28.855 7.599 -42.878 1.00 0.00 C ATOM 769 CD LYS A 48 29.411 6.333 -43.508 1.00 0.00 C ATOM 770 CE LYS A 48 30.031 5.416 -42.465 1.00 0.00 C ATOM 771 NZ LYS A 48 30.996 4.458 -43.071 1.00 0.00 N ATOM 0 H LYS A 48 24.893 7.508 -43.175 1.00 0.00 H new ATOM 0 HA LYS A 48 26.907 9.428 -43.789 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.022 7.950 -41.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.003 6.531 -42.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.173 8.465 -43.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.266 7.718 -41.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.613 5.805 -44.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.161 6.596 -44.254 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.540 6.016 -41.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.243 4.863 -41.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.396 3.851 -42.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.505 3.868 -43.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.762 4.985 -43.537 1.00 0.00 H new ATOM 785 N ILE A 49 26.630 6.775 -45.733 1.00 0.00 N ATOM 786 CA ILE A 49 27.017 6.225 -47.026 1.00 0.00 C ATOM 787 C ILE A 49 26.473 7.073 -48.170 1.00 0.00 C ATOM 788 O ILE A 49 27.156 7.296 -49.169 1.00 0.00 O ATOM 789 CB ILE A 49 26.520 4.777 -47.193 1.00 0.00 C ATOM 790 CG1 ILE A 49 27.104 3.884 -46.096 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.891 4.245 -48.569 1.00 0.00 C ATOM 792 CD1 ILE A 49 26.271 2.653 -45.812 1.00 0.00 C ATOM 0 H ILE A 49 25.940 6.219 -45.227 1.00 0.00 H new ATOM 0 HA ILE A 49 28.106 6.233 -47.059 1.00 0.00 H new ATOM 0 HB ILE A 49 25.434 4.769 -47.102 1.00 0.00 H new ATOM 0 HG12 ILE A 49 28.108 3.574 -46.387 1.00 0.00 H new ATOM 0 HG13 ILE A 49 27.203 4.466 -45.179 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.533 3.221 -48.672 1.00 0.00 H new ATOM 0 HG22 ILE A 49 26.432 4.869 -49.336 1.00 0.00 H new ATOM 0 HG23 ILE A 49 27.974 4.264 -48.686 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.745 2.067 -45.024 1.00 0.00 H new ATOM 0 HD12 ILE A 49 25.274 2.955 -45.490 1.00 0.00 H new ATOM 0 HD13 ILE A 49 26.193 2.050 -46.716 1.00 0.00 H new ATOM 804 N GLN A 50 25.240 7.544 -48.015 1.00 0.00 N ATOM 805 CA GLN A 50 24.604 8.369 -49.035 1.00 0.00 C ATOM 806 C GLN A 50 25.287 9.729 -49.140 1.00 0.00 C ATOM 807 O GLN A 50 25.550 10.221 -50.237 1.00 0.00 O ATOM 808 CB GLN A 50 23.119 8.555 -48.719 1.00 0.00 C ATOM 809 CG GLN A 50 22.333 9.204 -49.846 1.00 0.00 C ATOM 810 CD GLN A 50 21.899 10.618 -49.517 1.00 0.00 C ATOM 811 OE1 GLN A 50 22.692 11.427 -49.033 1.00 0.00 O ATOM 812 NE2 GLN A 50 20.633 10.925 -49.777 1.00 0.00 N ATOM 0 H GLN A 50 24.662 7.368 -47.193 1.00 0.00 H new ATOM 0 HA GLN A 50 24.703 7.858 -49.992 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.680 7.583 -48.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 23.021 9.165 -47.821 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.943 9.216 -50.749 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.453 8.600 -50.065 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.010 10.224 -50.178 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.284 11.862 -49.575 1.00 0.00 H new ATOM 821 N LYS A 51 25.573 10.332 -47.991 1.00 0.00 N ATOM 822 CA LYS A 51 26.226 11.635 -47.951 1.00 0.00 C ATOM 823 C LYS A 51 27.658 11.541 -48.468 1.00 0.00 C ATOM 824 O LYS A 51 28.101 12.379 -49.253 1.00 0.00 O ATOM 825 CB LYS A 51 26.223 12.187 -46.524 1.00 0.00 C ATOM 826 CG LYS A 51 26.775 13.598 -46.417 1.00 0.00 C ATOM 827 CD LYS A 51 27.376 13.859 -45.046 1.00 0.00 C ATOM 828 CE LYS A 51 28.810 14.354 -45.150 1.00 0.00 C ATOM 829 NZ LYS A 51 29.436 14.527 -43.810 1.00 0.00 N ATOM 0 H LYS A 51 25.362 9.938 -47.074 1.00 0.00 H new ATOM 0 HA LYS A 51 25.668 12.313 -48.597 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.203 12.175 -46.141 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.811 11.526 -45.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.535 13.752 -47.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.978 14.317 -46.609 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.773 14.597 -44.518 1.00 0.00 H new ATOM 0 HD3 LYS A 51 27.348 12.943 -44.455 1.00 0.00 H new ATOM 0 HE2 LYS A 51 29.397 13.647 -45.736 1.00 0.00 H new ATOM 0 HE3 LYS A 51 28.828 15.304 -45.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 30.413 14.865 -43.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 28.891 15.221 -43.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 29.442 13.615 -43.309 1.00 0.00 H new ATOM 843 N ASP A 52 28.377 10.515 -48.024 1.00 0.00 N ATOM 844 CA ASP A 52 29.758 10.310 -48.444 1.00 0.00 C ATOM 845 C ASP A 52 29.837 10.051 -49.946 1.00 0.00 C ATOM 846 O ASP A 52 30.700 10.594 -50.636 1.00 0.00 O ATOM 847 CB ASP A 52 30.378 9.140 -47.679 1.00 0.00 C ATOM 848 CG ASP A 52 30.755 9.512 -46.259 1.00 0.00 C ATOM 849 OD1 ASP A 52 30.434 10.643 -45.836 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.370 8.672 -45.569 1.00 0.00 O ATOM 0 H ASP A 52 28.026 9.813 -47.373 1.00 0.00 H new ATOM 0 HA ASP A 52 30.318 11.218 -48.220 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.673 8.309 -47.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 31.265 8.793 -48.208 1.00 0.00 H new ATOM 855 N LYS A 53 28.931 9.218 -50.445 1.00 0.00 N ATOM 856 CA LYS A 53 28.896 8.886 -51.865 1.00 0.00 C ATOM 857 C LYS A 53 28.495 10.099 -52.698 1.00 0.00 C ATOM 858 O LYS A 53 29.035 10.326 -53.780 1.00 0.00 O ATOM 859 CB LYS A 53 27.920 7.735 -52.117 1.00 0.00 C ATOM 860 CG LYS A 53 28.180 6.990 -53.415 1.00 0.00 C ATOM 861 CD LYS A 53 28.652 5.569 -53.157 1.00 0.00 C ATOM 862 CE LYS A 53 30.142 5.523 -52.855 1.00 0.00 C ATOM 863 NZ LYS A 53 30.588 4.154 -52.473 1.00 0.00 N ATOM 0 H LYS A 53 28.210 8.760 -49.887 1.00 0.00 H new ATOM 0 HA LYS A 53 29.897 8.577 -52.165 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.978 7.032 -51.286 1.00 0.00 H new ATOM 0 HB3 LYS A 53 26.903 8.128 -52.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.268 6.969 -54.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.931 7.524 -53.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.097 5.146 -52.320 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.437 4.949 -54.027 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.700 5.856 -53.730 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.371 6.218 -52.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.609 4.164 -52.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.074 3.846 -51.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.393 3.495 -53.254 1.00 0.00 H new ATOM 877 N GLU A 54 27.545 10.875 -52.185 1.00 0.00 N ATOM 878 CA GLU A 54 27.072 12.065 -52.883 1.00 0.00 C ATOM 879 C GLU A 54 28.163 13.130 -52.942 1.00 0.00 C ATOM 880 O GLU A 54 28.339 13.799 -53.961 1.00 0.00 O ATOM 881 CB GLU A 54 25.830 12.629 -52.190 1.00 0.00 C ATOM 882 CG GLU A 54 25.142 13.731 -52.979 1.00 0.00 C ATOM 883 CD GLU A 54 25.444 15.114 -52.435 1.00 0.00 C ATOM 884 OE1 GLU A 54 26.613 15.366 -52.073 1.00 0.00 O ATOM 885 OE2 GLU A 54 24.514 15.944 -52.371 1.00 0.00 O ATOM 0 H GLU A 54 27.088 10.701 -51.290 1.00 0.00 H new ATOM 0 HA GLU A 54 26.812 11.779 -53.902 1.00 0.00 H new ATOM 0 HB2 GLU A 54 25.121 11.819 -52.018 1.00 0.00 H new ATOM 0 HB3 GLU A 54 26.114 13.017 -51.212 1.00 0.00 H new ATOM 0 HG2 GLU A 54 25.457 13.678 -54.021 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.065 13.566 -52.963 1.00 0.00 H new ATOM 892 N LEU A 55 28.893 13.282 -51.842 1.00 0.00 N ATOM 893 CA LEU A 55 29.968 14.266 -51.767 1.00 0.00 C ATOM 894 C LEU A 55 31.150 13.849 -52.635 1.00 0.00 C ATOM 895 O LEU A 55 31.770 14.679 -53.300 1.00 0.00 O ATOM 896 CB LEU A 55 30.422 14.444 -50.317 1.00 0.00 C ATOM 897 CG LEU A 55 30.119 15.801 -49.680 1.00 0.00 C ATOM 898 CD1 LEU A 55 30.888 16.906 -50.386 1.00 0.00 C ATOM 899 CD2 LEU A 55 28.624 16.083 -49.714 1.00 0.00 C ATOM 0 H LEU A 55 28.760 12.737 -50.990 1.00 0.00 H new ATOM 0 HA LEU A 55 29.585 15.216 -52.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.952 13.668 -49.712 1.00 0.00 H new ATOM 0 HB3 LEU A 55 31.498 14.276 -50.271 1.00 0.00 H new ATOM 0 HG LEU A 55 30.440 15.772 -48.639 1.00 0.00 H new ATOM 0 HD11 LEU A 55 30.660 17.864 -49.919 1.00 0.00 H new ATOM 0 HD12 LEU A 55 31.958 16.711 -50.310 1.00 0.00 H new ATOM 0 HD13 LEU A 55 30.599 16.937 -51.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 28.426 17.052 -49.257 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.279 16.092 -50.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.095 15.307 -49.162 1.00 0.00 H new ATOM 911 N LYS A 56 31.457 12.556 -52.626 1.00 0.00 N ATOM 912 CA LYS A 56 32.562 12.026 -53.415 1.00 0.00 C ATOM 913 C LYS A 56 32.375 12.341 -54.896 1.00 0.00 C ATOM 914 O LYS A 56 33.346 12.546 -55.624 1.00 0.00 O ATOM 915 CB LYS A 56 32.679 10.513 -53.216 1.00 0.00 C ATOM 916 CG LYS A 56 33.878 10.100 -52.381 1.00 0.00 C ATOM 917 CD LYS A 56 33.842 10.735 -51.001 1.00 0.00 C ATOM 918 CE LYS A 56 35.033 11.654 -50.779 1.00 0.00 C ATOM 919 NZ LYS A 56 34.872 12.485 -49.553 1.00 0.00 N ATOM 0 H LYS A 56 30.955 11.856 -52.080 1.00 0.00 H new ATOM 0 HA LYS A 56 33.480 12.504 -53.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.771 10.147 -52.738 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.743 10.031 -54.191 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.897 9.015 -52.283 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.796 10.390 -52.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.918 11.301 -50.884 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.837 9.954 -50.240 1.00 0.00 H new ATOM 0 HE2 LYS A 56 35.942 11.057 -50.697 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.156 12.304 -51.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.704 13.098 -49.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.019 13.073 -49.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.780 11.865 -48.723 1.00 0.00 H new ATOM 933 N GLU A 57 31.120 12.380 -55.334 1.00 0.00 N ATOM 934 CA GLU A 57 30.807 12.672 -56.728 1.00 0.00 C ATOM 935 C GLU A 57 31.389 11.606 -57.651 1.00 0.00 C ATOM 936 O GLU A 57 32.188 10.770 -57.227 1.00 0.00 O ATOM 937 CB GLU A 57 31.347 14.050 -57.117 1.00 0.00 C ATOM 938 CG GLU A 57 30.262 15.042 -57.502 1.00 0.00 C ATOM 939 CD GLU A 57 30.731 16.481 -57.414 1.00 0.00 C ATOM 940 OE1 GLU A 57 31.958 16.702 -57.341 1.00 0.00 O ATOM 941 OE2 GLU A 57 29.871 17.387 -57.418 1.00 0.00 O ATOM 0 H GLU A 57 30.305 12.213 -54.744 1.00 0.00 H new ATOM 0 HA GLU A 57 29.723 12.670 -56.838 1.00 0.00 H new ATOM 0 HB2 GLU A 57 31.919 14.456 -56.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 32.038 13.938 -57.952 1.00 0.00 H new ATOM 0 HG2 GLU A 57 29.928 14.834 -58.519 1.00 0.00 H new ATOM 0 HG3 GLU A 57 29.400 14.904 -56.849 1.00 0.00 H new ATOM 948 N PHE A 58 30.983 11.641 -58.916 1.00 0.00 N ATOM 949 CA PHE A 58 31.463 10.677 -59.900 1.00 0.00 C ATOM 950 C PHE A 58 31.410 11.264 -61.307 1.00 0.00 C ATOM 951 O PHE A 58 32.405 11.257 -62.031 1.00 0.00 O ATOM 952 CB PHE A 58 30.629 9.395 -59.838 1.00 0.00 C ATOM 953 CG PHE A 58 31.430 8.147 -60.073 1.00 0.00 C ATOM 954 CD1 PHE A 58 31.884 7.828 -61.343 1.00 0.00 C ATOM 955 CD2 PHE A 58 31.731 7.293 -59.024 1.00 0.00 C ATOM 956 CE1 PHE A 58 32.621 6.679 -61.562 1.00 0.00 C ATOM 957 CE2 PHE A 58 32.468 6.143 -59.237 1.00 0.00 C ATOM 958 CZ PHE A 58 32.914 5.837 -60.508 1.00 0.00 C ATOM 0 H PHE A 58 30.323 12.326 -59.284 1.00 0.00 H new ATOM 0 HA PHE A 58 32.500 10.439 -59.663 1.00 0.00 H new ATOM 0 HB2 PHE A 58 30.149 9.330 -58.862 1.00 0.00 H new ATOM 0 HB3 PHE A 58 29.834 9.452 -60.581 1.00 0.00 H new ATOM 0 HD1 PHE A 58 31.660 8.484 -62.171 1.00 0.00 H new ATOM 0 HD2 PHE A 58 31.386 7.529 -58.028 1.00 0.00 H new ATOM 0 HE1 PHE A 58 32.967 6.440 -62.557 1.00 0.00 H new ATOM 0 HE2 PHE A 58 32.695 5.485 -58.411 1.00 0.00 H new ATOM 0 HZ PHE A 58 33.491 4.940 -60.677 1.00 0.00 H new ATOM 968 N GLU A 59 30.241 11.772 -61.686 1.00 0.00 N ATOM 969 CA GLU A 59 30.058 12.362 -63.007 1.00 0.00 C ATOM 970 C GLU A 59 30.946 13.591 -63.182 1.00 0.00 C ATOM 971 O GLU A 59 31.373 13.908 -64.293 1.00 0.00 O ATOM 972 CB GLU A 59 28.592 12.744 -63.221 1.00 0.00 C ATOM 973 CG GLU A 59 27.643 11.557 -63.191 1.00 0.00 C ATOM 974 CD GLU A 59 26.220 11.956 -62.852 1.00 0.00 C ATOM 975 OE1 GLU A 59 25.579 12.631 -63.685 1.00 0.00 O ATOM 976 OE2 GLU A 59 25.747 11.595 -61.755 1.00 0.00 O ATOM 0 H GLU A 59 29.408 11.787 -61.098 1.00 0.00 H new ATOM 0 HA GLU A 59 30.345 11.619 -63.751 1.00 0.00 H new ATOM 0 HB2 GLU A 59 28.295 13.456 -62.451 1.00 0.00 H new ATOM 0 HB3 GLU A 59 28.494 13.253 -64.180 1.00 0.00 H new ATOM 0 HG2 GLU A 59 27.656 11.062 -64.162 1.00 0.00 H new ATOM 0 HG3 GLU A 59 27.997 10.832 -62.458 1.00 0.00 H new ATOM 983 N CYS A 60 31.219 14.278 -62.078 1.00 0.00 N ATOM 984 CA CYS A 60 32.054 15.473 -62.109 1.00 0.00 C ATOM 985 C CYS A 60 33.528 15.109 -61.966 1.00 0.00 C ATOM 986 O CYS A 60 33.967 14.661 -60.907 1.00 0.00 O ATOM 987 CB CYS A 60 31.643 16.436 -60.994 1.00 0.00 C ATOM 988 SG CYS A 60 31.488 18.157 -61.526 1.00 0.00 S ATOM 0 H CYS A 60 30.874 14.028 -61.151 1.00 0.00 H new ATOM 0 HA CYS A 60 31.911 15.962 -63.072 1.00 0.00 H new ATOM 0 HB2 CYS A 60 30.690 16.108 -60.578 1.00 0.00 H new ATOM 0 HB3 CYS A 60 32.378 16.380 -60.191 1.00 0.00 H new ATOM 0 HG CYS A 60 31.135 18.894 -60.515 1.00 0.00 H new TER 994 CYS A 60