USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 329 hydrogens (3 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -95:sc= 0.521 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 14.505 -12.939 4.053 1.00 0.00 C HETATM 2 O ACE A 1 15.110 -13.696 3.321 1.00 0.00 O HETATM 3 CH3 ACE A 1 14.601 -13.060 5.575 1.00 0.00 C HETATM 0 H1 ACE A 1 15.000 -12.134 5.989 1.00 0.00 H new HETATM 0 H2 ACE A 1 13.610 -13.245 5.989 1.00 0.00 H new HETATM 0 H3 ACE A 1 15.262 -13.887 5.833 1.00 0.00 H new ATOM 7 N ARG A 2 13.750 -11.990 3.570 1.00 0.00 N ATOM 8 CA ARG A 2 13.619 -11.819 2.096 1.00 0.00 C ATOM 9 C ARG A 2 14.348 -10.543 1.668 1.00 0.00 C ATOM 10 O ARG A 2 14.085 -9.469 2.171 1.00 0.00 O ATOM 11 CB ARG A 2 12.137 -11.712 1.724 1.00 0.00 C ATOM 12 CG ARG A 2 11.368 -12.882 2.345 1.00 0.00 C ATOM 13 CD ARG A 2 10.897 -13.831 1.240 1.00 0.00 C ATOM 14 NE ARG A 2 11.874 -14.947 1.092 1.00 0.00 N ATOM 15 CZ ARG A 2 11.673 -16.078 1.712 1.00 0.00 C ATOM 16 NH1 ARG A 2 10.908 -16.991 1.177 1.00 0.00 N ATOM 17 NH2 ARG A 2 12.238 -16.297 2.867 1.00 0.00 N ATOM 0 H ARG A 2 13.218 -11.326 4.133 1.00 0.00 H new ATOM 0 HA ARG A 2 14.058 -12.677 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.729 -10.766 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.022 -11.722 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.005 -13.416 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.512 -12.510 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.911 -14.227 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.801 -13.290 0.298 1.00 0.00 H new ATOM 0 HE ARG A 2 12.700 -14.827 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.467 -16.821 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.752 -17.874 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.836 -15.585 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.081 -17.181 3.352 1.00 0.00 H new ATOM 31 N TYR A 3 15.265 -10.654 0.743 1.00 0.00 N ATOM 32 CA TYR A 3 16.020 -9.452 0.278 1.00 0.00 C ATOM 33 C TYR A 3 16.372 -8.566 1.476 1.00 0.00 C ATOM 34 O TYR A 3 15.753 -7.543 1.697 1.00 0.00 O ATOM 35 CB TYR A 3 15.168 -8.658 -0.718 1.00 0.00 C ATOM 36 CG TYR A 3 13.746 -8.575 -0.219 1.00 0.00 C ATOM 37 CD1 TYR A 3 12.838 -9.598 -0.520 1.00 0.00 C ATOM 38 CD2 TYR A 3 13.337 -7.478 0.545 1.00 0.00 C ATOM 39 CE1 TYR A 3 11.519 -9.521 -0.055 1.00 0.00 C ATOM 40 CE2 TYR A 3 12.019 -7.401 1.010 1.00 0.00 C ATOM 41 CZ TYR A 3 11.110 -8.422 0.710 1.00 0.00 C ATOM 42 OH TYR A 3 9.811 -8.346 1.170 1.00 0.00 O ATOM 0 H TYR A 3 15.525 -11.529 0.288 1.00 0.00 H new ATOM 0 HA TYR A 3 16.939 -9.775 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.578 -7.656 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.193 -9.138 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 3 13.155 -10.445 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.038 -6.690 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.818 -10.309 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.703 -6.554 1.600 1.00 0.00 H new ATOM 0 HH TYR A 3 9.694 -7.521 1.685 1.00 0.00 H new ATOM 52 N PRO A 4 17.362 -8.993 2.212 1.00 0.00 N ATOM 53 CA PRO A 4 17.910 -8.324 3.436 1.00 0.00 C ATOM 54 C PRO A 4 19.002 -7.321 3.046 1.00 0.00 C ATOM 55 O PRO A 4 19.000 -6.186 3.480 1.00 0.00 O ATOM 56 CB PRO A 4 18.496 -9.450 4.277 1.00 0.00 C ATOM 57 CG PRO A 4 18.822 -10.581 3.320 1.00 0.00 C ATOM 58 CD PRO A 4 18.155 -10.248 1.984 1.00 0.00 C ATOM 0 HA PRO A 4 17.145 -7.768 3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 4 19.391 -9.116 4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 4 17.785 -9.777 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 4 19.900 -10.683 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 4 18.454 -11.531 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 4 18.901 -10.101 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.509 -11.063 1.658 1.00 0.00 H new ATOM 66 N TYR A 5 19.931 -7.729 2.227 1.00 0.00 N ATOM 67 CA TYR A 5 21.018 -6.799 1.805 1.00 0.00 C ATOM 68 C TYR A 5 20.421 -5.660 0.978 1.00 0.00 C ATOM 69 O TYR A 5 21.083 -4.688 0.673 1.00 0.00 O ATOM 70 CB TYR A 5 22.032 -7.558 0.947 1.00 0.00 C ATOM 71 CG TYR A 5 23.047 -8.238 1.834 1.00 0.00 C ATOM 72 CD1 TYR A 5 22.681 -8.667 3.115 1.00 0.00 C ATOM 73 CD2 TYR A 5 24.354 -8.443 1.375 1.00 0.00 C ATOM 74 CE1 TYR A 5 23.621 -9.300 3.937 1.00 0.00 C ATOM 75 CE2 TYR A 5 25.294 -9.076 2.197 1.00 0.00 C ATOM 76 CZ TYR A 5 24.928 -9.504 3.478 1.00 0.00 C ATOM 77 OH TYR A 5 25.855 -10.127 4.288 1.00 0.00 O ATOM 0 H TYR A 5 19.985 -8.667 1.831 1.00 0.00 H new ATOM 0 HA TYR A 5 21.511 -6.394 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 5 21.520 -8.298 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 5 22.533 -6.870 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 5 21.673 -8.510 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 5 24.637 -8.113 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 5 23.338 -9.631 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 5 26.302 -9.234 1.842 1.00 0.00 H new ATOM 0 HH TYR A 5 26.712 -10.190 3.816 1.00 0.00 H new ATOM 87 N TYR A 6 19.180 -5.782 0.598 1.00 0.00 N ATOM 88 CA TYR A 6 18.543 -4.718 -0.228 1.00 0.00 C ATOM 89 C TYR A 6 17.925 -3.641 0.670 1.00 0.00 C ATOM 90 O TYR A 6 18.411 -2.530 0.743 1.00 0.00 O ATOM 91 CB TYR A 6 17.447 -5.342 -1.095 1.00 0.00 C ATOM 92 CG TYR A 6 18.068 -5.969 -2.321 1.00 0.00 C ATOM 93 CD1 TYR A 6 19.247 -6.717 -2.206 1.00 0.00 C ATOM 94 CD2 TYR A 6 17.464 -5.803 -3.572 1.00 0.00 C ATOM 95 CE1 TYR A 6 19.820 -7.298 -3.343 1.00 0.00 C ATOM 96 CE2 TYR A 6 18.037 -6.384 -4.709 1.00 0.00 C ATOM 97 CZ TYR A 6 19.216 -7.132 -4.595 1.00 0.00 C ATOM 98 OH TYR A 6 19.780 -7.705 -5.717 1.00 0.00 O ATOM 0 H TYR A 6 18.578 -6.574 0.824 1.00 0.00 H new ATOM 0 HA TYR A 6 19.303 -4.258 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 6 16.903 -6.095 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 6 16.724 -4.581 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 6 19.713 -6.845 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 6 16.555 -5.226 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 6 20.729 -7.875 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 6 17.570 -6.256 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 6 19.234 -7.493 -6.502 1.00 0.00 H new ATOM 108 N LEU A 7 16.849 -3.953 1.338 1.00 0.00 N ATOM 109 CA LEU A 7 16.190 -2.938 2.212 1.00 0.00 C ATOM 110 C LEU A 7 16.987 -2.744 3.506 1.00 0.00 C ATOM 111 O LEU A 7 17.379 -1.645 3.843 1.00 0.00 O ATOM 112 CB LEU A 7 14.775 -3.409 2.555 1.00 0.00 C ATOM 113 CG LEU A 7 14.027 -2.291 3.283 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.041 -1.625 2.322 1.00 0.00 C ATOM 115 CD2 LEU A 7 13.260 -2.878 4.471 1.00 0.00 C ATOM 0 H LEU A 7 16.396 -4.867 1.317 1.00 0.00 H new ATOM 0 HA LEU A 7 16.149 -1.988 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.242 -3.685 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.819 -4.300 3.182 1.00 0.00 H new ATOM 0 HG LEU A 7 14.743 -1.551 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.508 -0.828 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.585 -1.206 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.326 -2.365 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.727 -2.081 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.545 -3.619 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.961 -3.353 5.158 1.00 0.00 H new ATOM 127 N SER A 8 17.218 -3.798 4.237 1.00 0.00 N ATOM 128 CA SER A 8 17.975 -3.674 5.517 1.00 0.00 C ATOM 129 C SER A 8 19.170 -2.728 5.342 1.00 0.00 C ATOM 130 O SER A 8 19.643 -2.135 6.290 1.00 0.00 O ATOM 131 CB SER A 8 18.470 -5.059 5.947 1.00 0.00 C ATOM 132 OG SER A 8 19.887 -5.115 5.841 1.00 0.00 O ATOM 0 H SER A 8 16.915 -4.744 4.004 1.00 0.00 H new ATOM 0 HA SER A 8 17.316 -3.264 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.164 -5.263 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.018 -5.828 5.321 1.00 0.00 H new ATOM 0 HG SER A 8 20.135 -5.496 4.973 1.00 0.00 H new ATOM 138 N ASP A 9 19.671 -2.591 4.145 1.00 0.00 N ATOM 139 CA ASP A 9 20.843 -1.694 3.927 1.00 0.00 C ATOM 140 C ASP A 9 20.391 -0.232 3.859 1.00 0.00 C ATOM 141 O ASP A 9 21.007 0.644 4.433 1.00 0.00 O ATOM 142 CB ASP A 9 21.532 -2.071 2.615 1.00 0.00 C ATOM 143 CG ASP A 9 22.820 -2.841 2.917 1.00 0.00 C ATOM 144 OD1 ASP A 9 23.083 -3.082 4.083 1.00 0.00 O ATOM 145 OD2 ASP A 9 23.520 -3.177 1.976 1.00 0.00 O ATOM 0 H ASP A 9 19.321 -3.060 3.310 1.00 0.00 H new ATOM 0 HA ASP A 9 21.537 -1.811 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.866 -2.681 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 9 21.759 -1.173 2.040 1.00 0.00 H new ATOM 150 N ILE A 10 19.331 0.043 3.153 1.00 0.00 N ATOM 151 CA ILE A 10 18.857 1.454 3.040 1.00 0.00 C ATOM 152 C ILE A 10 18.414 1.977 4.409 1.00 0.00 C ATOM 153 O ILE A 10 18.504 3.155 4.691 1.00 0.00 O ATOM 154 CB ILE A 10 17.678 1.518 2.069 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.118 1.000 0.699 1.00 0.00 C ATOM 156 CG2 ILE A 10 17.208 2.967 1.934 1.00 0.00 C ATOM 157 CD1 ILE A 10 16.980 0.197 0.065 1.00 0.00 C ATOM 0 H ILE A 10 18.772 -0.645 2.649 1.00 0.00 H new ATOM 0 HA ILE A 10 19.675 2.073 2.671 1.00 0.00 H new ATOM 0 HB ILE A 10 16.862 0.903 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 10 18.391 1.835 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.004 0.374 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.367 3.014 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.896 3.341 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 10 18.025 3.581 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.295 -0.172 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 10 16.728 -0.647 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.105 0.837 -0.053 1.00 0.00 H new ATOM 169 N THR A 11 17.926 1.118 5.260 1.00 0.00 N ATOM 170 CA THR A 11 17.467 1.580 6.600 1.00 0.00 C ATOM 171 C THR A 11 18.656 1.674 7.563 1.00 0.00 C ATOM 172 O THR A 11 18.769 2.608 8.333 1.00 0.00 O ATOM 173 CB THR A 11 16.442 0.588 7.156 1.00 0.00 C ATOM 174 OG1 THR A 11 16.871 -0.737 6.879 1.00 0.00 O ATOM 175 CG2 THR A 11 15.081 0.833 6.502 1.00 0.00 C ATOM 0 H THR A 11 17.825 0.118 5.086 1.00 0.00 H new ATOM 0 HA THR A 11 17.012 2.565 6.499 1.00 0.00 H new ATOM 0 HB THR A 11 16.352 0.725 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.217 -1.374 7.235 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.354 0.125 6.900 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.752 1.850 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.166 0.698 5.424 1.00 0.00 H new ATOM 183 N ASP A 12 19.535 0.709 7.540 1.00 0.00 N ATOM 184 CA ASP A 12 20.702 0.740 8.469 1.00 0.00 C ATOM 185 C ASP A 12 21.808 1.642 7.907 1.00 0.00 C ATOM 186 O ASP A 12 22.874 1.755 8.477 1.00 0.00 O ATOM 187 CB ASP A 12 21.244 -0.680 8.644 1.00 0.00 C ATOM 188 CG ASP A 12 20.787 -1.236 9.994 1.00 0.00 C ATOM 189 OD1 ASP A 12 19.652 -0.983 10.363 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.579 -1.906 10.636 1.00 0.00 O ATOM 0 H ASP A 12 19.496 -0.099 6.919 1.00 0.00 H new ATOM 0 HA ASP A 12 20.379 1.137 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.888 -1.319 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 12 22.333 -0.675 8.590 1.00 0.00 H new ATOM 195 N ALA A 13 21.567 2.283 6.797 1.00 0.00 N ATOM 196 CA ALA A 13 22.610 3.171 6.208 1.00 0.00 C ATOM 197 C ALA A 13 22.406 4.607 6.698 1.00 0.00 C ATOM 198 O ALA A 13 22.876 5.552 6.095 1.00 0.00 O ATOM 199 CB ALA A 13 22.501 3.138 4.684 1.00 0.00 C ATOM 0 H ALA A 13 20.694 2.231 6.272 1.00 0.00 H new ATOM 0 HA ALA A 13 23.595 2.821 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 13 23.262 3.786 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.649 2.118 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.513 3.486 4.382 1.00 0.00 H new ATOM 205 N PHE A 14 21.700 4.780 7.778 1.00 0.00 N ATOM 206 CA PHE A 14 21.457 6.154 8.298 1.00 0.00 C ATOM 207 C PHE A 14 22.546 6.544 9.304 1.00 0.00 C ATOM 208 O PHE A 14 22.345 7.405 10.139 1.00 0.00 O ATOM 209 CB PHE A 14 20.089 6.192 8.982 1.00 0.00 C ATOM 210 CG PHE A 14 19.738 7.618 9.341 1.00 0.00 C ATOM 211 CD1 PHE A 14 19.737 8.612 8.353 1.00 0.00 C ATOM 212 CD2 PHE A 14 19.411 7.945 10.662 1.00 0.00 C ATOM 213 CE1 PHE A 14 19.408 9.932 8.689 1.00 0.00 C ATOM 214 CE2 PHE A 14 19.084 9.265 10.997 1.00 0.00 C ATOM 215 CZ PHE A 14 19.082 10.258 10.011 1.00 0.00 C ATOM 0 H PHE A 14 21.280 4.029 8.325 1.00 0.00 H new ATOM 0 HA PHE A 14 21.480 6.861 7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 14 19.329 5.776 8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 14 20.103 5.574 9.880 1.00 0.00 H new ATOM 0 HD1 PHE A 14 19.990 8.361 7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 14 19.411 7.179 11.423 1.00 0.00 H new ATOM 0 HE1 PHE A 14 19.406 10.698 7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 14 18.833 9.517 12.017 1.00 0.00 H new ATOM 0 HZ PHE A 14 18.829 11.276 10.270 1.00 0.00 H new ATOM 225 N SER A 15 23.692 5.919 9.247 1.00 0.00 N ATOM 226 CA SER A 15 24.765 6.264 10.215 1.00 0.00 C ATOM 227 C SER A 15 26.097 5.619 9.814 1.00 0.00 C ATOM 228 O SER A 15 27.099 6.301 9.721 1.00 0.00 O ATOM 229 CB SER A 15 24.353 5.754 11.587 1.00 0.00 C ATOM 230 OG SER A 15 24.603 6.753 12.572 1.00 0.00 O ATOM 0 H SER A 15 23.928 5.189 8.575 1.00 0.00 H new ATOM 0 HA SER A 15 24.901 7.345 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 23.295 5.491 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 24.907 4.847 11.828 1.00 0.00 H new ATOM 0 HG SER A 15 24.334 6.418 13.453 1.00 0.00 H new ATOM 236 N PRO A 16 26.083 4.324 9.604 1.00 0.00 N ATOM 237 CA PRO A 16 27.278 3.501 9.224 1.00 0.00 C ATOM 238 C PRO A 16 27.526 3.598 7.719 1.00 0.00 C ATOM 239 O PRO A 16 28.632 3.412 7.249 1.00 0.00 O ATOM 240 CB PRO A 16 26.949 2.076 9.642 1.00 0.00 C ATOM 241 CG PRO A 16 25.440 1.975 9.693 1.00 0.00 C ATOM 242 CD PRO A 16 24.890 3.403 9.685 1.00 0.00 C ATOM 0 HA PRO A 16 28.188 3.848 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.361 1.359 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 16 27.385 1.847 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.063 1.413 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 16 25.120 1.445 10.590 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.223 3.557 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.309 3.600 10.586 1.00 0.00 H new ATOM 250 N GLN A 17 26.513 3.911 6.962 1.00 0.00 N ATOM 251 CA GLN A 17 26.702 4.046 5.492 1.00 0.00 C ATOM 252 C GLN A 17 27.505 5.321 5.221 1.00 0.00 C ATOM 253 O GLN A 17 28.023 5.528 4.142 1.00 0.00 O ATOM 254 CB GLN A 17 25.333 4.142 4.813 1.00 0.00 C ATOM 255 CG GLN A 17 25.496 4.683 3.389 1.00 0.00 C ATOM 256 CD GLN A 17 25.537 6.212 3.426 1.00 0.00 C ATOM 257 OE1 GLN A 17 25.427 6.809 4.478 1.00 0.00 O ATOM 258 NE2 GLN A 17 25.691 6.876 2.313 1.00 0.00 N ATOM 0 H GLN A 17 25.564 4.079 7.297 1.00 0.00 H new ATOM 0 HA GLN A 17 27.236 3.181 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.860 3.160 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.677 4.796 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.412 4.295 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 17 24.669 4.346 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.783 6.375 1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 17 25.719 7.896 2.327 1.00 0.00 H new ATOM 267 N VAL A 18 27.610 6.176 6.203 1.00 0.00 N ATOM 268 CA VAL A 18 28.374 7.441 6.024 1.00 0.00 C ATOM 269 C VAL A 18 29.862 7.172 6.279 1.00 0.00 C ATOM 270 O VAL A 18 30.721 7.764 5.658 1.00 0.00 O ATOM 271 CB VAL A 18 27.831 8.484 7.006 1.00 0.00 C ATOM 272 CG1 VAL A 18 28.892 9.548 7.304 1.00 0.00 C ATOM 273 CG2 VAL A 18 26.603 9.157 6.390 1.00 0.00 C ATOM 0 H VAL A 18 27.196 6.050 7.127 1.00 0.00 H new ATOM 0 HA VAL A 18 28.261 7.818 5.008 1.00 0.00 H new ATOM 0 HB VAL A 18 27.563 7.986 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 18 28.487 10.280 8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 18 29.770 9.074 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 18 29.175 10.049 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 18 26.210 9.901 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 18 26.885 9.644 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 25.838 8.406 6.191 1.00 0.00 H new ATOM 283 N LEU A 19 30.173 6.271 7.170 1.00 0.00 N ATOM 284 CA LEU A 19 31.606 5.954 7.435 1.00 0.00 C ATOM 285 C LEU A 19 32.197 5.327 6.172 1.00 0.00 C ATOM 286 O LEU A 19 33.192 5.783 5.644 1.00 0.00 O ATOM 287 CB LEU A 19 31.706 4.964 8.598 1.00 0.00 C ATOM 288 CG LEU A 19 32.916 5.309 9.466 1.00 0.00 C ATOM 289 CD1 LEU A 19 32.571 6.487 10.377 1.00 0.00 C ATOM 290 CD2 LEU A 19 33.287 4.097 10.323 1.00 0.00 C ATOM 0 H LEU A 19 29.500 5.742 7.725 1.00 0.00 H new ATOM 0 HA LEU A 19 32.152 6.860 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.796 4.998 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.798 3.947 8.216 1.00 0.00 H new ATOM 0 HG LEU A 19 33.757 5.577 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.434 6.733 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.302 7.351 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.730 6.218 11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.150 4.340 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.445 3.831 10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.531 3.255 9.676 1.00 0.00 H new ATOM 302 N ALA A 20 31.576 4.295 5.670 1.00 0.00 N ATOM 303 CA ALA A 20 32.087 3.658 4.428 1.00 0.00 C ATOM 304 C ALA A 20 32.212 4.735 3.355 1.00 0.00 C ATOM 305 O ALA A 20 33.238 4.894 2.727 1.00 0.00 O ATOM 306 CB ALA A 20 31.094 2.599 3.956 1.00 0.00 C ATOM 0 H ALA A 20 30.739 3.868 6.067 1.00 0.00 H new ATOM 0 HA ALA A 20 33.054 3.191 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.467 2.131 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.974 1.842 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.131 3.068 3.755 1.00 0.00 H new ATOM 312 N ALA A 21 31.163 5.480 3.157 1.00 0.00 N ATOM 313 CA ALA A 21 31.191 6.566 2.142 1.00 0.00 C ATOM 314 C ALA A 21 32.507 7.324 2.268 1.00 0.00 C ATOM 315 O ALA A 21 33.244 7.492 1.317 1.00 0.00 O ATOM 316 CB ALA A 21 30.031 7.527 2.410 1.00 0.00 C ATOM 0 H ALA A 21 30.280 5.382 3.659 1.00 0.00 H new ATOM 0 HA ALA A 21 31.099 6.145 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 30.043 8.327 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 21 29.087 6.986 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 21 30.135 7.954 3.408 1.00 0.00 H new ATOM 322 N VAL A 22 32.796 7.784 3.446 1.00 0.00 N ATOM 323 CA VAL A 22 34.058 8.543 3.672 1.00 0.00 C ATOM 324 C VAL A 22 35.211 7.849 2.940 1.00 0.00 C ATOM 325 O VAL A 22 35.983 8.481 2.248 1.00 0.00 O ATOM 326 CB VAL A 22 34.347 8.612 5.178 1.00 0.00 C ATOM 327 CG1 VAL A 22 35.817 8.974 5.416 1.00 0.00 C ATOM 328 CG2 VAL A 22 33.458 9.684 5.809 1.00 0.00 C ATOM 0 H VAL A 22 32.209 7.668 4.272 1.00 0.00 H new ATOM 0 HA VAL A 22 33.954 9.556 3.284 1.00 0.00 H new ATOM 0 HB VAL A 22 34.141 7.641 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 36.011 9.020 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 36.456 8.216 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 36.030 9.944 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 22 33.658 9.739 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 22 33.671 10.650 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.411 9.429 5.648 1.00 0.00 H new ATOM 338 N ILE A 23 35.338 6.559 3.084 1.00 0.00 N ATOM 339 CA ILE A 23 36.447 5.845 2.388 1.00 0.00 C ATOM 340 C ILE A 23 36.221 5.898 0.875 1.00 0.00 C ATOM 341 O ILE A 23 37.150 6.060 0.109 1.00 0.00 O ATOM 342 CB ILE A 23 36.498 4.389 2.853 1.00 0.00 C ATOM 343 CG1 ILE A 23 36.458 4.343 4.383 1.00 0.00 C ATOM 344 CG2 ILE A 23 37.796 3.741 2.361 1.00 0.00 C ATOM 345 CD1 ILE A 23 36.569 2.891 4.854 1.00 0.00 C ATOM 0 H ILE A 23 34.726 5.971 3.650 1.00 0.00 H new ATOM 0 HA ILE A 23 37.394 6.329 2.628 1.00 0.00 H new ATOM 0 HB ILE A 23 35.643 3.848 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 23 37.275 4.934 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 23 35.530 4.784 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 23 37.833 2.703 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 23 37.830 3.776 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 23 38.650 4.282 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 23 36.541 2.859 5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.737 2.313 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 23 37.509 2.465 4.503 1.00 0.00 H new ATOM 357 N PHE A 24 34.999 5.772 0.432 1.00 0.00 N ATOM 358 CA PHE A 24 34.737 5.828 -1.033 1.00 0.00 C ATOM 359 C PHE A 24 35.363 7.105 -1.591 1.00 0.00 C ATOM 360 O PHE A 24 35.943 7.112 -2.658 1.00 0.00 O ATOM 361 CB PHE A 24 33.227 5.833 -1.285 1.00 0.00 C ATOM 362 CG PHE A 24 32.899 4.851 -2.387 1.00 0.00 C ATOM 363 CD1 PHE A 24 32.960 3.472 -2.142 1.00 0.00 C ATOM 364 CD2 PHE A 24 32.534 5.320 -3.654 1.00 0.00 C ATOM 365 CE1 PHE A 24 32.657 2.565 -3.165 1.00 0.00 C ATOM 366 CE2 PHE A 24 32.230 4.412 -4.676 1.00 0.00 C ATOM 367 CZ PHE A 24 32.292 3.035 -4.432 1.00 0.00 C ATOM 0 H PHE A 24 34.176 5.634 1.018 1.00 0.00 H new ATOM 0 HA PHE A 24 35.172 4.958 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 24 32.694 5.564 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 24 32.897 6.834 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 24 33.241 3.109 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 24 32.487 6.382 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.705 1.503 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 24 31.947 4.775 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.058 2.336 -5.221 1.00 0.00 H new ATOM 377 N ILE A 25 35.270 8.183 -0.861 1.00 0.00 N ATOM 378 CA ILE A 25 35.882 9.454 -1.335 1.00 0.00 C ATOM 379 C ILE A 25 37.397 9.288 -1.322 1.00 0.00 C ATOM 380 O ILE A 25 38.084 9.748 -2.212 1.00 0.00 O ATOM 381 CB ILE A 25 35.479 10.603 -0.408 1.00 0.00 C ATOM 382 CG1 ILE A 25 33.998 10.465 -0.036 1.00 0.00 C ATOM 383 CG2 ILE A 25 35.704 11.937 -1.124 1.00 0.00 C ATOM 384 CD1 ILE A 25 33.523 11.727 0.691 1.00 0.00 C ATOM 0 H ILE A 25 34.797 8.237 0.041 1.00 0.00 H new ATOM 0 HA ILE A 25 35.537 9.683 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 25 36.085 10.570 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 25 33.402 10.306 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.854 9.592 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 25 35.417 12.757 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.757 12.035 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 25 35.098 11.971 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 25 32.470 11.622 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.110 11.867 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 33.651 12.592 0.040 1.00 0.00 H new ATOM 396 N TYR A 26 37.936 8.614 -0.337 1.00 0.00 N ATOM 397 CA TYR A 26 39.407 8.418 -0.332 1.00 0.00 C ATOM 398 C TYR A 26 39.767 7.623 -1.584 1.00 0.00 C ATOM 399 O TYR A 26 40.880 7.667 -2.062 1.00 0.00 O ATOM 400 CB TYR A 26 39.862 7.663 0.915 1.00 0.00 C ATOM 401 CG TYR A 26 41.352 7.855 1.061 1.00 0.00 C ATOM 402 CD1 TYR A 26 41.888 9.149 1.087 1.00 0.00 C ATOM 403 CD2 TYR A 26 42.200 6.745 1.148 1.00 0.00 C ATOM 404 CE1 TYR A 26 43.271 9.333 1.205 1.00 0.00 C ATOM 405 CE2 TYR A 26 43.583 6.929 1.263 1.00 0.00 C ATOM 406 CZ TYR A 26 44.119 8.223 1.292 1.00 0.00 C ATOM 407 OH TYR A 26 45.483 8.404 1.402 1.00 0.00 O ATOM 0 H TYR A 26 37.429 8.201 0.446 1.00 0.00 H new ATOM 0 HA TYR A 26 39.908 9.386 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 26 39.342 8.036 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 26 39.621 6.603 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 26 41.234 10.005 1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.788 5.747 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.683 10.331 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 26 44.237 6.072 1.329 1.00 0.00 H new ATOM 0 HH TYR A 26 45.926 7.531 1.453 1.00 0.00 H new ATOM 417 N PHE A 27 38.806 6.927 -2.141 1.00 0.00 N ATOM 418 CA PHE A 27 39.056 6.168 -3.397 1.00 0.00 C ATOM 419 C PHE A 27 39.142 7.201 -4.506 1.00 0.00 C ATOM 420 O PHE A 27 39.923 7.102 -5.427 1.00 0.00 O ATOM 421 CB PHE A 27 37.883 5.216 -3.669 1.00 0.00 C ATOM 422 CG PHE A 27 38.383 3.930 -4.295 1.00 0.00 C ATOM 423 CD1 PHE A 27 39.149 3.032 -3.541 1.00 0.00 C ATOM 424 CD2 PHE A 27 38.078 3.635 -5.631 1.00 0.00 C ATOM 425 CE1 PHE A 27 39.610 1.843 -4.123 1.00 0.00 C ATOM 426 CE2 PHE A 27 38.538 2.447 -6.211 1.00 0.00 C ATOM 427 CZ PHE A 27 39.304 1.551 -5.457 1.00 0.00 C ATOM 0 H PHE A 27 37.857 6.854 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 27 39.968 5.574 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 27 37.361 4.996 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 27 37.163 5.695 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.385 3.256 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 27 37.487 4.326 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 27 40.202 1.152 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.302 2.222 -7.241 1.00 0.00 H new ATOM 0 HZ PHE A 27 39.659 0.634 -5.904 1.00 0.00 H new ATOM 437 N ALA A 28 38.345 8.217 -4.386 1.00 0.00 N ATOM 438 CA ALA A 28 38.354 9.317 -5.380 1.00 0.00 C ATOM 439 C ALA A 28 39.757 9.930 -5.411 1.00 0.00 C ATOM 440 O ALA A 28 40.353 10.124 -6.452 1.00 0.00 O ATOM 441 CB ALA A 28 37.351 10.375 -4.917 1.00 0.00 C ATOM 0 H ALA A 28 37.674 8.334 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 28 38.089 8.952 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.336 11.199 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.357 9.931 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.644 10.750 -3.936 1.00 0.00 H new ATOM 447 N ALA A 29 40.269 10.237 -4.252 1.00 0.00 N ATOM 448 CA ALA A 29 41.625 10.851 -4.129 1.00 0.00 C ATOM 449 C ALA A 29 42.716 9.901 -4.630 1.00 0.00 C ATOM 450 O ALA A 29 43.628 10.306 -5.312 1.00 0.00 O ATOM 451 CB ALA A 29 41.885 11.132 -2.656 1.00 0.00 C ATOM 0 H ALA A 29 39.794 10.085 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 29 41.651 11.761 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.871 11.582 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.127 11.817 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.843 10.199 -2.095 1.00 0.00 H new ATOM 457 N LEU A 30 42.636 8.651 -4.261 1.00 0.00 N ATOM 458 CA LEU A 30 43.677 7.639 -4.671 1.00 0.00 C ATOM 459 C LEU A 30 43.975 7.696 -6.182 1.00 0.00 C ATOM 460 O LEU A 30 44.916 7.089 -6.649 1.00 0.00 O ATOM 461 CB LEU A 30 43.194 6.228 -4.296 1.00 0.00 C ATOM 462 CG LEU A 30 42.345 5.637 -5.431 1.00 0.00 C ATOM 463 CD1 LEU A 30 43.258 4.970 -6.458 1.00 0.00 C ATOM 464 CD2 LEU A 30 41.376 4.597 -4.865 1.00 0.00 C ATOM 0 H LEU A 30 41.885 8.274 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 30 44.600 7.878 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 30 44.051 5.583 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 42.608 6.269 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 30 41.779 6.437 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.655 4.551 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 43.946 5.709 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 30 43.825 4.173 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 40.776 4.181 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 30 41.940 3.798 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 40.721 5.070 -4.134 1.00 0.00 H new ATOM 476 N SER A 31 43.171 8.389 -6.939 1.00 0.00 N ATOM 477 CA SER A 31 43.378 8.476 -8.424 1.00 0.00 C ATOM 478 C SER A 31 44.862 8.330 -8.829 1.00 0.00 C ATOM 479 O SER A 31 45.181 7.552 -9.705 1.00 0.00 O ATOM 480 CB SER A 31 42.849 9.824 -8.923 1.00 0.00 C ATOM 481 OG SER A 31 43.752 10.366 -9.879 1.00 0.00 O ATOM 0 H SER A 31 42.365 8.909 -6.592 1.00 0.00 H new ATOM 0 HA SER A 31 42.835 7.648 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.863 9.696 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 31 42.733 10.513 -8.086 1.00 0.00 H new ATOM 0 HG SER A 31 43.412 11.228 -10.199 1.00 0.00 H new ATOM 487 N PRO A 32 45.717 9.091 -8.202 1.00 0.00 N ATOM 488 CA PRO A 32 47.198 9.140 -8.443 1.00 0.00 C ATOM 489 C PRO A 32 47.917 8.063 -7.625 1.00 0.00 C ATOM 490 O PRO A 32 48.918 7.522 -8.047 1.00 0.00 O ATOM 491 CB PRO A 32 47.626 10.539 -8.021 1.00 0.00 C ATOM 492 CG PRO A 32 46.579 11.036 -7.043 1.00 0.00 C ATOM 493 CD PRO A 32 45.404 10.059 -7.108 1.00 0.00 C ATOM 0 HA PRO A 32 47.451 8.944 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 32 48.612 10.519 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 32 47.694 11.200 -8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 32 46.986 11.082 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 46.257 12.044 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 32 45.277 9.542 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 32 44.472 10.586 -7.311 1.00 0.00 H new ATOM 501 N ALA A 33 47.408 7.737 -6.469 1.00 0.00 N ATOM 502 CA ALA A 33 48.054 6.679 -5.639 1.00 0.00 C ATOM 503 C ALA A 33 48.280 5.433 -6.491 1.00 0.00 C ATOM 504 O ALA A 33 49.102 4.598 -6.175 1.00 0.00 O ATOM 505 CB ALA A 33 47.136 6.321 -4.476 1.00 0.00 C ATOM 0 H ALA A 33 46.572 8.157 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 33 49.008 7.047 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 33 47.605 5.548 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 33 46.960 7.207 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 33 46.186 5.952 -4.863 1.00 0.00 H new ATOM 511 N ILE A 34 47.544 5.299 -7.564 1.00 0.00 N ATOM 512 CA ILE A 34 47.705 4.103 -8.443 1.00 0.00 C ATOM 513 C ILE A 34 49.191 3.761 -8.560 1.00 0.00 C ATOM 514 O ILE A 34 49.575 2.608 -8.564 1.00 0.00 O ATOM 515 CB ILE A 34 47.126 4.398 -9.828 1.00 0.00 C ATOM 516 CG1 ILE A 34 46.981 3.085 -10.603 1.00 0.00 C ATOM 517 CG2 ILE A 34 48.057 5.343 -10.589 1.00 0.00 C ATOM 518 CD1 ILE A 34 45.657 2.416 -10.230 1.00 0.00 C ATOM 0 H ILE A 34 46.837 5.968 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 34 47.172 3.256 -8.011 1.00 0.00 H new ATOM 0 HB ILE A 34 46.150 4.871 -9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 34 47.014 3.278 -11.675 1.00 0.00 H new ATOM 0 HG13 ILE A 34 47.814 2.421 -10.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 47.640 5.549 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 34 48.160 6.276 -10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 49.036 4.878 -10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 34 45.553 1.481 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 34 45.643 2.209 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 34 44.830 3.080 -10.483 1.00 0.00 H new ATOM 530 N THR A 35 50.035 4.757 -8.627 1.00 0.00 N ATOM 531 CA THR A 35 51.496 4.486 -8.710 1.00 0.00 C ATOM 532 C THR A 35 51.873 3.577 -7.546 1.00 0.00 C ATOM 533 O THR A 35 52.394 2.494 -7.724 1.00 0.00 O ATOM 534 CB THR A 35 52.273 5.802 -8.595 1.00 0.00 C ATOM 535 OG1 THR A 35 51.399 6.830 -8.148 1.00 0.00 O ATOM 536 CG2 THR A 35 52.852 6.180 -9.958 1.00 0.00 C ATOM 0 H THR A 35 49.774 5.743 -8.628 1.00 0.00 H new ATOM 0 HA THR A 35 51.738 4.013 -9.662 1.00 0.00 H new ATOM 0 HB THR A 35 53.087 5.679 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 35 51.895 7.672 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 35 53.404 7.116 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 35 53.524 5.393 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 35 52.041 6.301 -10.677 1.00 0.00 H new ATOM 544 N PHE A 36 51.593 4.013 -6.352 1.00 0.00 N ATOM 545 CA PHE A 36 51.908 3.187 -5.157 1.00 0.00 C ATOM 546 C PHE A 36 51.293 1.799 -5.336 1.00 0.00 C ATOM 547 O PHE A 36 50.094 1.653 -5.481 1.00 0.00 O ATOM 548 CB PHE A 36 51.319 3.855 -3.913 1.00 0.00 C ATOM 549 CG PHE A 36 51.823 3.151 -2.676 1.00 0.00 C ATOM 550 CD1 PHE A 36 53.200 3.063 -2.430 1.00 0.00 C ATOM 551 CD2 PHE A 36 50.914 2.586 -1.776 1.00 0.00 C ATOM 552 CE1 PHE A 36 53.665 2.408 -1.283 1.00 0.00 C ATOM 553 CE2 PHE A 36 51.378 1.932 -0.628 1.00 0.00 C ATOM 554 CZ PHE A 36 52.754 1.843 -0.382 1.00 0.00 C ATOM 0 H PHE A 36 51.156 4.913 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 36 52.988 3.096 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 36 51.600 4.908 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 36 50.230 3.817 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 36 53.902 3.500 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 36 49.853 2.654 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 36 54.726 2.339 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 36 50.675 1.497 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 36 53.113 1.338 0.503 1.00 0.00 H new ATOM 564 N GLY A 37 52.103 0.778 -5.336 1.00 0.00 N ATOM 565 CA GLY A 37 51.565 -0.599 -5.518 1.00 0.00 C ATOM 566 C GLY A 37 50.948 -1.093 -4.208 1.00 0.00 C ATOM 567 O GLY A 37 50.917 -0.388 -3.218 1.00 0.00 O ATOM 0 H GLY A 37 53.114 0.837 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 37 50.815 -0.604 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 37 52.363 -1.272 -5.831 1.00 0.00 H new ATOM 571 N GLY A 38 50.456 -2.302 -4.201 1.00 0.00 N ATOM 572 CA GLY A 38 49.836 -2.856 -2.963 1.00 0.00 C ATOM 573 C GLY A 38 49.135 -4.174 -3.297 1.00 0.00 C ATOM 574 O GLY A 38 48.034 -4.435 -2.851 1.00 0.00 O ATOM 0 H GLY A 38 50.457 -2.933 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 38 50.599 -3.019 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 49.121 -2.144 -2.550 1.00 0.00 H new ATOM 578 N LEU A 39 49.764 -5.007 -4.083 1.00 0.00 N ATOM 579 CA LEU A 39 49.135 -6.307 -4.452 1.00 0.00 C ATOM 580 C LEU A 39 49.411 -7.340 -3.355 1.00 0.00 C ATOM 581 O LEU A 39 50.395 -7.260 -2.646 1.00 0.00 O ATOM 582 CB LEU A 39 49.722 -6.796 -5.780 1.00 0.00 C ATOM 583 CG LEU A 39 51.203 -7.132 -5.593 1.00 0.00 C ATOM 584 CD1 LEU A 39 51.372 -8.644 -5.442 1.00 0.00 C ATOM 585 CD2 LEU A 39 51.992 -6.655 -6.815 1.00 0.00 C ATOM 0 H LEU A 39 50.687 -4.842 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 39 48.058 -6.174 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 49.180 -7.676 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 49.607 -6.028 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 39 51.575 -6.633 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 39 52.428 -8.881 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 50.811 -8.988 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 39 50.998 -9.143 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 39 53.047 -6.894 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 39 51.616 -7.154 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 39 51.875 -5.577 -6.925 1.00 0.00 H new ATOM 597 N LEU A 40 48.547 -8.309 -3.211 1.00 0.00 N ATOM 598 CA LEU A 40 48.756 -9.349 -2.162 1.00 0.00 C ATOM 599 C LEU A 40 49.230 -10.645 -2.820 1.00 0.00 C ATOM 600 O LEU A 40 50.411 -10.918 -2.895 1.00 0.00 O ATOM 601 CB LEU A 40 47.441 -9.607 -1.412 1.00 0.00 C ATOM 602 CG LEU A 40 46.250 -9.344 -2.337 1.00 0.00 C ATOM 603 CD1 LEU A 40 45.060 -10.201 -1.903 1.00 0.00 C ATOM 604 CD2 LEU A 40 45.872 -7.863 -2.257 1.00 0.00 C ATOM 0 H LEU A 40 47.705 -8.425 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 40 49.508 -9.000 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 40 47.413 -10.636 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 47.380 -8.962 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 40 46.519 -9.601 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 40 44.214 -10.011 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 40 45.332 -11.255 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 40 44.784 -9.949 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 45.024 -7.668 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 45.602 -7.611 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 40 46.720 -7.254 -2.569 1.00 0.00 H new ATOM 616 N GLY A 41 48.319 -11.449 -3.295 1.00 0.00 N ATOM 617 CA GLY A 41 48.719 -12.730 -3.946 1.00 0.00 C ATOM 618 C GLY A 41 49.617 -13.524 -2.995 1.00 0.00 C ATOM 619 O GLY A 41 49.381 -13.574 -1.804 1.00 0.00 O ATOM 0 H GLY A 41 47.315 -11.275 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 41 47.834 -13.313 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 41 49.246 -12.528 -4.878 1.00 0.00 H new ATOM 623 N GLU A 42 50.646 -14.143 -3.508 1.00 0.00 N ATOM 624 CA GLU A 42 51.556 -14.929 -2.628 1.00 0.00 C ATOM 625 C GLU A 42 52.218 -13.995 -1.610 1.00 0.00 C ATOM 626 O GLU A 42 52.486 -14.375 -0.487 1.00 0.00 O ATOM 627 CB GLU A 42 52.634 -15.606 -3.479 1.00 0.00 C ATOM 628 CG GLU A 42 53.304 -16.712 -2.663 1.00 0.00 C ATOM 629 CD GLU A 42 54.817 -16.668 -2.882 1.00 0.00 C ATOM 630 OE1 GLU A 42 55.227 -16.469 -4.014 1.00 0.00 O ATOM 631 OE2 GLU A 42 55.540 -16.831 -1.913 1.00 0.00 O ATOM 0 H GLU A 42 50.895 -14.138 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 42 50.981 -15.690 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 52.191 -16.023 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 42 53.376 -14.873 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 53.076 -16.586 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 52.912 -17.685 -2.960 1.00 0.00 H new ATOM 638 N LYS A 43 52.481 -12.774 -1.992 1.00 0.00 N ATOM 639 CA LYS A 43 53.122 -11.819 -1.043 1.00 0.00 C ATOM 640 C LYS A 43 52.224 -11.639 0.182 1.00 0.00 C ATOM 641 O LYS A 43 52.753 -11.348 1.243 1.00 0.00 O ATOM 642 CB LYS A 43 53.321 -10.466 -1.734 1.00 0.00 C ATOM 643 CG LYS A 43 53.693 -9.407 -0.693 1.00 0.00 C ATOM 644 CD LYS A 43 55.046 -9.751 -0.066 1.00 0.00 C ATOM 645 CE LYS A 43 56.172 -9.252 -0.973 1.00 0.00 C ATOM 646 NZ LYS A 43 57.401 -10.058 -0.729 1.00 0.00 N ATOM 647 OXT LYS A 43 51.022 -11.793 0.040 1.00 0.00 O ATOM 0 H LYS A 43 52.280 -12.397 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 43 54.090 -12.212 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 54.106 -10.543 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.409 -10.174 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.738 -8.424 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 43 52.926 -9.358 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.129 -9.293 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 43 55.129 -10.829 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 55.874 -9.332 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 56.371 -8.198 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 58.167 -9.719 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 57.688 -9.960 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 57.207 -11.058 -0.936 1.00 0.00 H new TER 661 LYS A 43