USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -170:sc= -2.03! USER MOD Set 1.2: A 37 GLN : amide:sc= -2.83! C(o=-4.9!,f=-6.2!) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.03 F(o=-2.6,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 40:sc= 0.199! USER MOD Single : A 19 GLN : amide:sc= -3.05! C(o=-3.1!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -1.78 (180deg=-3.86!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -44:sc= 0.958 USER MOD Single : A 40 TYR OH : rot -33:sc= 0.119 USER MOD Single : A 41 SER OG : rot 100:sc= -0.377 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -2.19! (180deg=-4.18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -130:sc= -0.689 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0.647 (180deg=0.625) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.53 F(o=-2.1!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.304 -3.167 9.912 1.00 0.00 N ATOM 63 CA ARG A 6 12.500 -2.176 11.018 1.00 0.00 C ATOM 64 C ARG A 6 11.587 -0.973 10.772 1.00 0.00 C ATOM 65 O ARG A 6 11.203 -0.692 9.653 1.00 0.00 O ATOM 66 CB ARG A 6 13.973 -1.722 11.030 1.00 0.00 C ATOM 67 CG ARG A 6 14.855 -2.750 11.794 1.00 0.00 C ATOM 68 CD ARG A 6 15.218 -2.210 13.185 1.00 0.00 C ATOM 69 NE ARG A 6 15.979 -0.922 13.048 1.00 0.00 N ATOM 70 CZ ARG A 6 17.120 -0.854 12.415 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.715 -1.938 11.999 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.694 0.304 12.240 1.00 0.00 N ATOM 0 HA ARG A 6 12.254 -2.628 11.979 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.334 -1.613 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.054 -0.743 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.322 -3.696 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.763 -2.953 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.313 -2.048 13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.819 -2.942 13.724 1.00 0.00 H new ATOM 0 HE ARG A 6 15.593 -0.074 13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.290 -2.850 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.606 -1.874 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.252 1.151 12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.585 0.362 11.747 1.00 0.00 H new ATOM 86 N ASP A 7 11.233 -0.260 11.805 1.00 0.00 N ATOM 87 CA ASP A 7 10.341 0.921 11.624 1.00 0.00 C ATOM 88 C ASP A 7 11.171 2.125 11.174 1.00 0.00 C ATOM 89 O ASP A 7 12.309 1.991 10.769 1.00 0.00 O ATOM 90 CB ASP A 7 9.639 1.242 12.946 1.00 0.00 C ATOM 91 CG ASP A 7 10.660 1.750 13.966 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.817 1.380 13.855 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.265 2.502 14.841 1.00 0.00 O ATOM 0 H ASP A 7 11.522 -0.443 12.766 1.00 0.00 H new ATOM 0 HA ASP A 7 9.592 0.696 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.867 1.995 12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.141 0.351 13.329 1.00 0.00 H new ATOM 98 N ASN A 8 10.607 3.297 11.239 1.00 0.00 N ATOM 99 CA ASN A 8 11.359 4.511 10.811 1.00 0.00 C ATOM 100 C ASN A 8 12.322 4.943 11.919 1.00 0.00 C ATOM 101 O ASN A 8 12.896 6.014 11.866 1.00 0.00 O ATOM 102 CB ASN A 8 10.372 5.644 10.525 1.00 0.00 C ATOM 103 CG ASN A 8 9.606 5.338 9.237 1.00 0.00 C ATOM 104 OD1 ASN A 8 8.419 4.802 9.311 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 10.093 5.589 8.152 1.00 0.00 N flip ATOM 0 H ASN A 8 9.658 3.469 11.570 1.00 0.00 H new ATOM 0 HA ASN A 8 11.928 4.283 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.677 5.754 11.357 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.905 6.590 10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.021 6.008 8.094 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.574 5.381 7.299 1.00 0.00 H new ATOM 112 N ARG A 9 12.506 4.121 12.924 1.00 0.00 N ATOM 113 CA ARG A 9 13.435 4.479 14.045 1.00 0.00 C ATOM 114 C ARG A 9 14.330 3.281 14.371 1.00 0.00 C ATOM 115 O ARG A 9 15.369 3.092 13.769 1.00 0.00 O ATOM 116 CB ARG A 9 12.617 4.856 15.286 1.00 0.00 C ATOM 117 CG ARG A 9 11.960 6.236 15.091 1.00 0.00 C ATOM 118 CD ARG A 9 12.930 7.356 15.503 1.00 0.00 C ATOM 119 NE ARG A 9 12.762 7.644 16.955 1.00 0.00 N ATOM 120 CZ ARG A 9 13.657 8.351 17.589 1.00 0.00 C ATOM 121 NH1 ARG A 9 14.704 8.800 16.952 1.00 0.00 N ATOM 122 NH2 ARG A 9 13.507 8.609 18.860 1.00 0.00 N ATOM 0 H ARG A 9 12.051 3.213 13.017 1.00 0.00 H new ATOM 0 HA ARG A 9 14.054 5.324 13.746 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.851 4.103 15.468 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.262 4.873 16.164 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.670 6.363 14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.049 6.299 15.685 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.958 7.057 15.296 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.736 8.255 14.917 1.00 0.00 H new ATOM 0 HE ARG A 9 11.947 7.288 17.454 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.822 8.598 15.959 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.404 9.353 17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.689 8.258 19.359 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.207 9.162 19.354 1.00 0.00 H new ATOM 136 N GLY A 10 13.944 2.470 15.323 1.00 0.00 N ATOM 137 CA GLY A 10 14.787 1.289 15.685 1.00 0.00 C ATOM 138 C GLY A 10 13.902 0.166 16.235 1.00 0.00 C ATOM 139 O GLY A 10 14.389 -0.830 16.736 1.00 0.00 O ATOM 0 H GLY A 10 13.085 2.573 15.864 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.332 0.938 14.809 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.530 1.576 16.429 1.00 0.00 H new ATOM 143 N ARG A 11 12.609 0.316 16.147 1.00 0.00 N ATOM 144 CA ARG A 11 11.690 -0.739 16.664 1.00 0.00 C ATOM 145 C ARG A 11 11.494 -1.815 15.588 1.00 0.00 C ATOM 146 O ARG A 11 11.476 -1.530 14.408 1.00 0.00 O ATOM 147 CB ARG A 11 10.345 -0.091 17.021 1.00 0.00 C ATOM 148 CG ARG A 11 10.445 0.593 18.397 1.00 0.00 C ATOM 149 CD ARG A 11 9.377 1.688 18.519 1.00 0.00 C ATOM 150 NE ARG A 11 8.141 1.264 17.804 1.00 0.00 N ATOM 151 CZ ARG A 11 7.015 1.885 18.026 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.972 2.878 18.873 1.00 0.00 N ATOM 153 NH2 ARG A 11 5.935 1.516 17.400 1.00 0.00 N ATOM 0 H ARG A 11 12.147 1.128 15.737 1.00 0.00 H new ATOM 0 HA ARG A 11 12.113 -1.206 17.553 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.070 0.640 16.261 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.559 -0.847 17.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.313 -0.144 19.189 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.437 1.026 18.526 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.155 1.877 19.569 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.750 2.622 18.099 1.00 0.00 H new ATOM 0 HE ARG A 11 8.175 0.489 17.142 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.819 3.169 19.362 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.092 3.363 19.046 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.969 0.742 16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.054 2.001 17.573 1.00 0.00 H new ATOM 167 N ILE A 12 11.356 -3.054 15.989 1.00 0.00 N ATOM 168 CA ILE A 12 11.173 -4.156 14.993 1.00 0.00 C ATOM 169 C ILE A 12 9.682 -4.374 14.719 1.00 0.00 C ATOM 170 O ILE A 12 8.907 -4.622 15.621 1.00 0.00 O ATOM 171 CB ILE A 12 11.757 -5.456 15.559 1.00 0.00 C ATOM 172 CG1 ILE A 12 13.255 -5.268 15.895 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.570 -6.587 14.539 1.00 0.00 C ATOM 174 CD1 ILE A 12 14.138 -5.484 14.655 1.00 0.00 C ATOM 0 H ILE A 12 11.362 -3.351 16.965 1.00 0.00 H new ATOM 0 HA ILE A 12 11.681 -3.882 14.069 1.00 0.00 H new ATOM 0 HB ILE A 12 11.233 -5.717 16.478 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.418 -4.265 16.290 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.545 -5.970 16.677 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.985 -7.511 14.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.507 -6.723 14.338 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.085 -6.331 13.613 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.185 -5.345 14.925 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.993 -6.496 14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.864 -4.765 13.883 1.00 0.00 H new ATOM 186 N LEU A 13 9.279 -4.311 13.478 1.00 0.00 N ATOM 187 CA LEU A 13 7.842 -4.543 13.144 1.00 0.00 C ATOM 188 C LEU A 13 7.636 -6.040 12.910 1.00 0.00 C ATOM 189 O LEU A 13 8.569 -6.758 12.606 1.00 0.00 O ATOM 190 CB LEU A 13 7.481 -3.780 11.862 1.00 0.00 C ATOM 191 CG LEU A 13 7.344 -2.271 12.158 1.00 0.00 C ATOM 192 CD1 LEU A 13 7.586 -1.468 10.875 1.00 0.00 C ATOM 193 CD2 LEU A 13 5.933 -1.957 12.682 1.00 0.00 C ATOM 0 H LEU A 13 9.882 -4.109 12.681 1.00 0.00 H new ATOM 0 HA LEU A 13 7.210 -4.194 13.960 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.250 -3.941 11.106 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.546 -4.164 11.453 1.00 0.00 H new ATOM 0 HG LEU A 13 8.081 -1.997 12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.488 -0.404 11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.589 -1.673 10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.853 -1.756 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.850 -0.890 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.195 -2.241 11.932 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.752 -2.517 13.599 1.00 0.00 H new ATOM 205 N LYS A 14 6.431 -6.527 13.043 1.00 0.00 N ATOM 206 CA LYS A 14 6.194 -7.985 12.819 1.00 0.00 C ATOM 207 C LYS A 14 5.886 -8.219 11.337 1.00 0.00 C ATOM 208 O LYS A 14 5.474 -7.320 10.632 1.00 0.00 O ATOM 209 CB LYS A 14 5.003 -8.443 13.672 1.00 0.00 C ATOM 210 CG LYS A 14 5.422 -8.550 15.152 1.00 0.00 C ATOM 211 CD LYS A 14 6.048 -9.932 15.434 1.00 0.00 C ATOM 212 CE LYS A 14 7.000 -9.838 16.631 1.00 0.00 C ATOM 213 NZ LYS A 14 7.542 -11.190 16.940 1.00 0.00 N ATOM 0 H LYS A 14 5.605 -5.984 13.295 1.00 0.00 H new ATOM 0 HA LYS A 14 7.080 -8.553 13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.179 -7.737 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.642 -9.408 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.138 -7.764 15.392 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.554 -8.398 15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.264 -10.661 15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.589 -10.282 14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.815 -9.150 16.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.474 -9.438 17.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.188 -11.128 17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.758 -11.834 17.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.058 -11.554 16.114 1.00 0.00 H new ATOM 227 N THR A 15 6.086 -9.418 10.852 1.00 0.00 N ATOM 228 CA THR A 15 5.805 -9.695 9.412 1.00 0.00 C ATOM 229 C THR A 15 4.435 -9.126 9.041 1.00 0.00 C ATOM 230 O THR A 15 3.664 -8.735 9.895 1.00 0.00 O ATOM 231 CB THR A 15 5.816 -11.207 9.165 1.00 0.00 C ATOM 232 OG1 THR A 15 7.086 -11.734 9.528 1.00 0.00 O ATOM 233 CG2 THR A 15 5.546 -11.500 7.684 1.00 0.00 C ATOM 0 H THR A 15 6.430 -10.214 11.389 1.00 0.00 H new ATOM 0 HA THR A 15 6.573 -9.225 8.798 1.00 0.00 H new ATOM 0 HB THR A 15 5.037 -11.674 9.768 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.095 -12.702 9.373 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.556 -12.577 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.571 -11.099 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.319 -11.032 7.074 1.00 0.00 H new ATOM 241 N GLY A 16 4.124 -9.068 7.776 1.00 0.00 N ATOM 242 CA GLY A 16 2.806 -8.516 7.366 1.00 0.00 C ATOM 243 C GLY A 16 2.832 -6.995 7.515 1.00 0.00 C ATOM 244 O GLY A 16 2.322 -6.268 6.685 1.00 0.00 O ATOM 0 H GLY A 16 4.724 -9.378 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.589 -8.789 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.013 -8.941 7.981 1.00 0.00 H new ATOM 248 N GLU A 17 3.417 -6.506 8.579 1.00 0.00 N ATOM 249 CA GLU A 17 3.475 -5.029 8.802 1.00 0.00 C ATOM 250 C GLU A 17 4.768 -4.455 8.214 1.00 0.00 C ATOM 251 O GLU A 17 5.705 -5.170 7.919 1.00 0.00 O ATOM 252 CB GLU A 17 3.431 -4.744 10.308 1.00 0.00 C ATOM 253 CG GLU A 17 2.002 -4.931 10.826 1.00 0.00 C ATOM 254 CD GLU A 17 2.021 -5.051 12.351 1.00 0.00 C ATOM 255 OE1 GLU A 17 2.889 -5.739 12.862 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.166 -4.452 12.984 1.00 0.00 O ATOM 0 H GLU A 17 3.859 -7.069 9.306 1.00 0.00 H new ATOM 0 HA GLU A 17 2.623 -4.560 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.110 -5.414 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.770 -3.727 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.382 -4.087 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.559 -5.825 10.386 1.00 0.00 H new ATOM 263 N SER A 18 4.813 -3.160 8.047 1.00 0.00 N ATOM 264 CA SER A 18 6.027 -2.502 7.480 1.00 0.00 C ATOM 265 C SER A 18 5.812 -0.985 7.503 1.00 0.00 C ATOM 266 O SER A 18 5.149 -0.462 8.376 1.00 0.00 O ATOM 267 CB SER A 18 6.237 -2.975 6.042 1.00 0.00 C ATOM 268 OG SER A 18 7.266 -2.206 5.435 1.00 0.00 O ATOM 0 H SER A 18 4.052 -2.523 8.282 1.00 0.00 H new ATOM 0 HA SER A 18 6.907 -2.760 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.504 -4.032 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.311 -2.874 5.476 1.00 0.00 H new ATOM 0 HG SER A 18 7.985 -2.052 6.083 1.00 0.00 H new ATOM 274 N GLN A 19 6.347 -0.269 6.546 1.00 0.00 N ATOM 275 CA GLN A 19 6.143 1.214 6.524 1.00 0.00 C ATOM 276 C GLN A 19 6.171 1.720 5.080 1.00 0.00 C ATOM 277 O GLN A 19 7.070 1.423 4.318 1.00 0.00 O ATOM 278 CB GLN A 19 7.231 1.915 7.348 1.00 0.00 C ATOM 279 CG GLN A 19 8.608 1.362 6.982 1.00 0.00 C ATOM 280 CD GLN A 19 9.686 2.124 7.754 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.717 2.093 8.969 1.00 0.00 O ATOM 282 NE2 GLN A 19 10.579 2.813 7.097 1.00 0.00 N ATOM 0 H GLN A 19 6.912 -0.643 5.784 1.00 0.00 H new ATOM 0 HA GLN A 19 5.172 1.442 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.202 2.989 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.043 1.769 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.659 0.299 7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.777 1.459 5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.554 2.840 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.302 3.325 7.603 1.00 0.00 H new ATOM 291 N ARG A 20 5.180 2.481 4.702 1.00 0.00 N ATOM 292 CA ARG A 20 5.124 3.013 3.311 1.00 0.00 C ATOM 293 C ARG A 20 6.366 3.870 3.043 1.00 0.00 C ATOM 294 O ARG A 20 7.406 3.685 3.644 1.00 0.00 O ATOM 295 CB ARG A 20 3.850 3.867 3.152 1.00 0.00 C ATOM 296 CG ARG A 20 3.339 3.809 1.697 1.00 0.00 C ATOM 297 CD ARG A 20 2.508 2.528 1.472 1.00 0.00 C ATOM 298 NE ARG A 20 2.818 1.939 0.131 1.00 0.00 N ATOM 299 CZ ARG A 20 2.871 2.681 -0.947 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.551 3.945 -0.903 1.00 0.00 N ATOM 301 NH2 ARG A 20 3.205 2.140 -2.084 1.00 0.00 N ATOM 0 H ARG A 20 4.402 2.758 5.301 1.00 0.00 H new ATOM 0 HA ARG A 20 5.100 2.190 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.076 3.507 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.061 4.900 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.731 4.688 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.183 3.829 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.726 1.802 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.445 2.759 1.539 1.00 0.00 H new ATOM 0 HE ARG A 20 2.992 0.937 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.255 4.366 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.596 4.512 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.423 1.145 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.248 2.712 -2.928 1.00 0.00 H new ATOM 315 N LYS A 21 6.257 4.814 2.147 1.00 0.00 N ATOM 316 CA LYS A 21 7.415 5.701 1.831 1.00 0.00 C ATOM 317 C LYS A 21 7.304 6.973 2.670 1.00 0.00 C ATOM 318 O LYS A 21 8.269 7.679 2.881 1.00 0.00 O ATOM 319 CB LYS A 21 7.378 6.070 0.341 1.00 0.00 C ATOM 320 CG LYS A 21 7.396 4.792 -0.528 1.00 0.00 C ATOM 321 CD LYS A 21 6.679 5.044 -1.863 1.00 0.00 C ATOM 322 CE LYS A 21 7.462 6.066 -2.694 1.00 0.00 C ATOM 323 NZ LYS A 21 7.177 7.440 -2.193 1.00 0.00 N ATOM 0 H LYS A 21 5.409 5.010 1.616 1.00 0.00 H new ATOM 0 HA LYS A 21 8.350 5.188 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.482 6.652 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.233 6.698 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.425 4.484 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.910 3.975 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.584 4.110 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.669 5.410 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.530 5.859 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.183 5.986 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.068 8.088 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.300 7.431 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.965 7.762 -1.595 1.00 0.00 H new ATOM 337 N ASP A 22 6.125 7.269 3.146 1.00 0.00 N ATOM 338 CA ASP A 22 5.934 8.494 3.973 1.00 0.00 C ATOM 339 C ASP A 22 6.314 8.198 5.427 1.00 0.00 C ATOM 340 O ASP A 22 6.292 9.071 6.272 1.00 0.00 O ATOM 341 CB ASP A 22 4.468 8.927 3.908 1.00 0.00 C ATOM 342 CG ASP A 22 3.989 8.887 2.455 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.275 9.827 1.732 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.343 7.918 2.091 1.00 0.00 O ATOM 0 H ASP A 22 5.283 6.713 2.997 1.00 0.00 H new ATOM 0 HA ASP A 22 6.569 9.293 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.855 8.268 4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.357 9.933 4.311 1.00 0.00 H new ATOM 349 N GLY A 23 6.671 6.975 5.728 1.00 0.00 N ATOM 350 CA GLY A 23 7.059 6.627 7.129 1.00 0.00 C ATOM 351 C GLY A 23 5.851 6.071 7.889 1.00 0.00 C ATOM 352 O GLY A 23 5.993 5.493 8.948 1.00 0.00 O ATOM 0 H GLY A 23 6.711 6.202 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.862 5.890 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.443 7.511 7.638 1.00 0.00 H new ATOM 356 N ARG A 24 4.665 6.234 7.366 1.00 0.00 N ATOM 357 CA ARG A 24 3.469 5.702 8.081 1.00 0.00 C ATOM 358 C ARG A 24 3.520 4.175 8.077 1.00 0.00 C ATOM 359 O ARG A 24 4.265 3.574 7.331 1.00 0.00 O ATOM 360 CB ARG A 24 2.189 6.172 7.386 1.00 0.00 C ATOM 361 CG ARG A 24 2.110 5.568 5.983 1.00 0.00 C ATOM 362 CD ARG A 24 1.063 6.326 5.164 1.00 0.00 C ATOM 363 NE ARG A 24 1.489 7.747 5.021 1.00 0.00 N ATOM 364 CZ ARG A 24 0.924 8.511 4.127 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.014 8.033 3.359 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.298 9.755 4.002 1.00 0.00 N ATOM 0 H ARG A 24 4.473 6.708 6.483 1.00 0.00 H new ATOM 0 HA ARG A 24 3.470 6.070 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.317 5.875 7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.176 7.260 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.083 5.626 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.846 4.512 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.950 5.867 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.091 6.273 5.655 1.00 0.00 H new ATOM 0 HE ARG A 24 2.222 8.122 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.307 7.061 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.455 8.631 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.032 10.130 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.856 10.353 3.303 1.00 0.00 H new ATOM 380 N TYR A 25 2.741 3.537 8.912 1.00 0.00 N ATOM 381 CA TYR A 25 2.761 2.045 8.959 1.00 0.00 C ATOM 382 C TYR A 25 1.789 1.471 7.929 1.00 0.00 C ATOM 383 O TYR A 25 0.767 2.056 7.622 1.00 0.00 O ATOM 384 CB TYR A 25 2.360 1.570 10.358 1.00 0.00 C ATOM 385 CG TYR A 25 3.413 2.003 11.352 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.718 1.499 11.256 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.090 2.914 12.366 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.696 1.905 12.170 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.070 3.321 13.280 1.00 0.00 C ATOM 390 CZ TYR A 25 5.374 2.818 13.182 1.00 0.00 C ATOM 391 OH TYR A 25 6.339 3.218 14.083 1.00 0.00 O ATOM 0 H TYR A 25 2.094 3.984 9.562 1.00 0.00 H new ATOM 0 HA TYR A 25 3.768 1.698 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.391 1.987 10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.256 0.485 10.370 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.968 0.796 10.475 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.085 3.302 12.443 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.700 1.514 12.095 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.820 4.023 14.061 1.00 0.00 H new ATOM 0 HH TYR A 25 5.950 3.854 14.718 1.00 0.00 H new ATOM 401 N LEU A 26 2.103 0.314 7.404 1.00 0.00 N ATOM 402 CA LEU A 26 1.213 -0.342 6.401 1.00 0.00 C ATOM 403 C LEU A 26 1.131 -1.828 6.721 1.00 0.00 C ATOM 404 O LEU A 26 2.103 -2.443 7.116 1.00 0.00 O ATOM 405 CB LEU A 26 1.787 -0.182 4.984 1.00 0.00 C ATOM 406 CG LEU A 26 0.745 -0.664 3.940 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.190 0.491 3.554 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.458 -1.196 2.683 1.00 0.00 C ATOM 0 H LEU A 26 2.948 -0.209 7.631 1.00 0.00 H new ATOM 0 HA LEU A 26 0.228 0.123 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.044 0.861 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.707 -0.758 4.887 1.00 0.00 H new ATOM 0 HG LEU A 26 0.156 -1.468 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.917 0.141 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.713 0.848 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.395 1.305 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.716 -1.531 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.062 -0.402 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.102 -2.032 2.956 1.00 0.00 H new ATOM 420 N TYR A 27 -0.021 -2.408 6.543 1.00 0.00 N ATOM 421 CA TYR A 27 -0.199 -3.862 6.817 1.00 0.00 C ATOM 422 C TYR A 27 -0.894 -4.495 5.614 1.00 0.00 C ATOM 423 O TYR A 27 -2.102 -4.426 5.461 1.00 0.00 O ATOM 424 CB TYR A 27 -1.030 -4.028 8.091 1.00 0.00 C ATOM 425 CG TYR A 27 -1.496 -5.457 8.245 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.555 -6.485 8.333 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.864 -5.752 8.318 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.977 -7.811 8.491 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.287 -7.077 8.474 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.344 -8.106 8.561 1.00 0.00 C ATOM 431 OH TYR A 27 -2.759 -9.413 8.717 1.00 0.00 O ATOM 0 H TYR A 27 -0.860 -1.930 6.214 1.00 0.00 H new ATOM 0 HA TYR A 27 0.761 -4.356 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.436 -3.739 8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.892 -3.361 8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.499 -6.257 8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.592 -4.957 8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.249 -8.605 8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.341 -7.305 8.527 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.738 -9.444 8.748 1.00 0.00 H new ATOM 441 N LYS A 28 -0.119 -5.096 4.748 1.00 0.00 N ATOM 442 CA LYS A 28 -0.683 -5.745 3.533 1.00 0.00 C ATOM 443 C LYS A 28 -0.962 -7.217 3.857 1.00 0.00 C ATOM 444 O LYS A 28 -0.156 -7.878 4.483 1.00 0.00 O ATOM 445 CB LYS A 28 0.344 -5.649 2.388 1.00 0.00 C ATOM 446 CG LYS A 28 -0.366 -5.660 1.016 1.00 0.00 C ATOM 447 CD LYS A 28 0.597 -6.180 -0.079 1.00 0.00 C ATOM 448 CE LYS A 28 0.275 -5.528 -1.432 1.00 0.00 C ATOM 449 NZ LYS A 28 1.030 -6.228 -2.511 1.00 0.00 N ATOM 0 H LYS A 28 0.895 -5.164 4.835 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.606 -5.251 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.929 -4.735 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.043 -6.484 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.252 -6.293 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.705 -4.655 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.627 -5.961 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.512 -7.264 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.796 -5.582 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.543 -4.472 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.813 -5.788 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.050 -6.155 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.753 -7.230 -2.534 1.00 0.00 H new ATOM 463 N TYR A 29 -2.078 -7.746 3.442 1.00 0.00 N ATOM 464 CA TYR A 29 -2.358 -9.183 3.745 1.00 0.00 C ATOM 465 C TYR A 29 -3.355 -9.762 2.738 1.00 0.00 C ATOM 466 O TYR A 29 -4.328 -9.135 2.369 1.00 0.00 O ATOM 467 CB TYR A 29 -2.901 -9.318 5.174 1.00 0.00 C ATOM 468 CG TYR A 29 -4.331 -8.833 5.253 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.382 -9.712 4.967 1.00 0.00 C ATOM 470 CD2 TYR A 29 -4.606 -7.513 5.629 1.00 0.00 C ATOM 471 CE1 TYR A 29 -6.708 -9.270 5.055 1.00 0.00 C ATOM 472 CE2 TYR A 29 -5.931 -7.070 5.716 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.983 -7.950 5.429 1.00 0.00 C ATOM 474 OH TYR A 29 -8.289 -7.515 5.517 1.00 0.00 O ATOM 0 H TYR A 29 -2.801 -7.257 2.914 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.428 -9.746 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.847 -10.359 5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.279 -8.743 5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.170 -10.731 4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.795 -6.836 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.519 -9.948 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.142 -6.051 6.004 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.303 -6.542 5.631 1.00 0.00 H new ATOM 484 N ILE A 30 -3.107 -10.966 2.296 1.00 0.00 N ATOM 485 CA ILE A 30 -4.018 -11.622 1.315 1.00 0.00 C ATOM 486 C ILE A 30 -5.338 -11.971 2.009 1.00 0.00 C ATOM 487 O ILE A 30 -5.385 -12.811 2.886 1.00 0.00 O ATOM 488 CB ILE A 30 -3.340 -12.896 0.794 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.853 -12.618 0.543 1.00 0.00 C ATOM 490 CG2 ILE A 30 -3.991 -13.350 -0.511 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.686 -11.374 -0.328 1.00 0.00 C ATOM 0 H ILE A 30 -2.303 -11.528 2.576 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.225 -10.953 0.480 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.452 -13.682 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.337 -12.477 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.393 -13.477 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.499 -14.255 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.047 -13.556 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.892 -12.564 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.625 -11.189 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.185 -11.530 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.128 -10.515 0.176 1.00 0.00 H new ATOM 503 N ASP A 31 -6.410 -11.325 1.631 1.00 0.00 N ATOM 504 CA ASP A 31 -7.721 -11.615 2.279 1.00 0.00 C ATOM 505 C ASP A 31 -8.341 -12.870 1.659 1.00 0.00 C ATOM 506 O ASP A 31 -7.769 -13.493 0.786 1.00 0.00 O ATOM 507 CB ASP A 31 -8.667 -10.429 2.071 1.00 0.00 C ATOM 508 CG ASP A 31 -8.631 -9.996 0.605 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.121 -10.754 -0.204 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.112 -8.913 0.316 1.00 0.00 O ATOM 0 H ASP A 31 -6.433 -10.611 0.903 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.564 -11.778 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.682 -10.707 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.373 -9.599 2.713 1.00 0.00 H new ATOM 515 N SER A 32 -9.506 -13.247 2.113 1.00 0.00 N ATOM 516 CA SER A 32 -10.171 -14.464 1.565 1.00 0.00 C ATOM 517 C SER A 32 -10.795 -14.148 0.205 1.00 0.00 C ATOM 518 O SER A 32 -11.590 -14.905 -0.314 1.00 0.00 O ATOM 519 CB SER A 32 -11.267 -14.914 2.528 1.00 0.00 C ATOM 520 OG SER A 32 -11.857 -16.113 2.044 1.00 0.00 O ATOM 0 H SER A 32 -10.028 -12.762 2.843 1.00 0.00 H new ATOM 0 HA SER A 32 -9.431 -15.256 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.849 -15.076 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.024 -14.136 2.624 1.00 0.00 H new ATOM 0 HG SER A 32 -12.021 -16.031 1.081 1.00 0.00 H new ATOM 526 N PHE A 33 -10.439 -13.036 -0.378 1.00 0.00 N ATOM 527 CA PHE A 33 -11.008 -12.665 -1.708 1.00 0.00 C ATOM 528 C PHE A 33 -10.028 -13.097 -2.799 1.00 0.00 C ATOM 529 O PHE A 33 -10.413 -13.412 -3.908 1.00 0.00 O ATOM 530 CB PHE A 33 -11.204 -11.142 -1.762 1.00 0.00 C ATOM 531 CG PHE A 33 -12.531 -10.768 -1.134 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.727 -11.140 -1.761 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.565 -10.053 0.071 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.956 -10.798 -1.183 1.00 0.00 C ATOM 535 CE2 PHE A 33 -13.795 -9.711 0.647 1.00 0.00 C ATOM 536 CZ PHE A 33 -14.990 -10.083 0.020 1.00 0.00 C ATOM 0 H PHE A 33 -9.776 -12.365 0.010 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.968 -13.159 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.390 -10.643 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.172 -10.799 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.701 -11.690 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.643 -9.766 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.878 -11.086 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.822 -9.160 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.938 -9.818 0.464 1.00 0.00 H new ATOM 546 N GLY A 34 -8.759 -13.107 -2.487 1.00 0.00 N ATOM 547 CA GLY A 34 -7.726 -13.511 -3.489 1.00 0.00 C ATOM 548 C GLY A 34 -7.005 -12.262 -3.990 1.00 0.00 C ATOM 549 O GLY A 34 -6.507 -12.221 -5.097 1.00 0.00 O ATOM 0 H GLY A 34 -8.389 -12.850 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.014 -14.202 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.194 -14.035 -4.322 1.00 0.00 H new ATOM 553 N GLU A 35 -6.947 -11.236 -3.180 1.00 0.00 N ATOM 554 CA GLU A 35 -6.259 -9.981 -3.609 1.00 0.00 C ATOM 555 C GLU A 35 -5.764 -9.221 -2.356 1.00 0.00 C ATOM 556 O GLU A 35 -6.547 -8.925 -1.477 1.00 0.00 O ATOM 557 CB GLU A 35 -7.245 -9.098 -4.398 1.00 0.00 C ATOM 558 CG GLU A 35 -8.663 -9.333 -3.883 1.00 0.00 C ATOM 559 CD GLU A 35 -9.628 -8.368 -4.572 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.150 -8.726 -5.615 1.00 0.00 O ATOM 561 OE2 GLU A 35 -9.829 -7.285 -4.047 1.00 0.00 O ATOM 0 H GLU A 35 -7.346 -11.213 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.409 -10.225 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.976 -8.047 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.189 -9.332 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.964 -10.363 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.697 -9.187 -2.803 1.00 0.00 H new ATOM 568 N PRO A 36 -4.487 -8.901 -2.263 1.00 0.00 N ATOM 569 CA PRO A 36 -3.937 -8.165 -1.086 1.00 0.00 C ATOM 570 C PRO A 36 -4.875 -7.059 -0.584 1.00 0.00 C ATOM 571 O PRO A 36 -5.694 -6.545 -1.320 1.00 0.00 O ATOM 572 CB PRO A 36 -2.637 -7.572 -1.627 1.00 0.00 C ATOM 573 CG PRO A 36 -2.161 -8.567 -2.633 1.00 0.00 C ATOM 574 CD PRO A 36 -3.422 -9.194 -3.248 1.00 0.00 C ATOM 0 HA PRO A 36 -3.801 -8.817 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.806 -6.596 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.905 -7.430 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.553 -8.085 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.538 -9.328 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.649 -8.760 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.301 -10.267 -3.398 1.00 0.00 H new ATOM 582 N GLN A 37 -4.751 -6.692 0.671 1.00 0.00 N ATOM 583 CA GLN A 37 -5.618 -5.617 1.251 1.00 0.00 C ATOM 584 C GLN A 37 -4.727 -4.568 1.922 1.00 0.00 C ATOM 585 O GLN A 37 -3.831 -4.894 2.676 1.00 0.00 O ATOM 586 CB GLN A 37 -6.559 -6.232 2.291 1.00 0.00 C ATOM 587 CG GLN A 37 -7.596 -5.192 2.728 1.00 0.00 C ATOM 588 CD GLN A 37 -8.715 -5.881 3.509 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.159 -5.382 4.524 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.194 -7.015 3.075 1.00 0.00 N ATOM 0 H GLN A 37 -4.079 -7.096 1.324 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.208 -5.148 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.059 -7.105 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.988 -6.576 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.123 -4.430 3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.007 -4.684 1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.821 -7.433 2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.941 -7.483 3.588 1.00 0.00 H new ATOM 599 N PHE A 38 -4.957 -3.310 1.637 1.00 0.00 N ATOM 600 CA PHE A 38 -4.116 -2.223 2.231 1.00 0.00 C ATOM 601 C PHE A 38 -4.781 -1.621 3.481 1.00 0.00 C ATOM 602 O PHE A 38 -5.867 -1.078 3.414 1.00 0.00 O ATOM 603 CB PHE A 38 -3.947 -1.095 1.187 1.00 0.00 C ATOM 604 CG PHE A 38 -2.709 -1.308 0.340 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.619 -2.414 -0.507 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.659 -0.377 0.383 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.488 -2.591 -1.302 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.524 -0.561 -0.413 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.439 -1.669 -1.256 1.00 0.00 C ATOM 0 H PHE A 38 -5.697 -2.987 1.014 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.155 -2.652 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.827 -1.056 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.881 -0.133 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.425 -3.132 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.728 0.483 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.422 -3.446 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.285 0.153 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.436 -1.814 -1.872 1.00 0.00 H new ATOM 619 N VAL A 39 -4.097 -1.652 4.600 1.00 0.00 N ATOM 620 CA VAL A 39 -4.629 -1.014 5.849 1.00 0.00 C ATOM 621 C VAL A 39 -3.613 0.063 6.250 1.00 0.00 C ATOM 622 O VAL A 39 -2.447 -0.223 6.438 1.00 0.00 O ATOM 623 CB VAL A 39 -4.768 -2.052 6.964 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.435 -1.411 8.186 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.629 -3.216 6.471 1.00 0.00 C ATOM 0 H VAL A 39 -3.184 -2.096 4.703 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.617 -0.585 5.681 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.779 -2.418 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.533 -2.153 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.824 -0.580 8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.423 -1.043 7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.729 -3.956 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.616 -2.846 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.157 -3.676 5.603 1.00 0.00 H new ATOM 635 N TYR A 40 -4.027 1.306 6.335 1.00 0.00 N ATOM 636 CA TYR A 40 -3.057 2.405 6.668 1.00 0.00 C ATOM 637 C TYR A 40 -3.160 2.803 8.144 1.00 0.00 C ATOM 638 O TYR A 40 -4.175 2.626 8.787 1.00 0.00 O ATOM 639 CB TYR A 40 -3.380 3.639 5.810 1.00 0.00 C ATOM 640 CG TYR A 40 -2.864 3.455 4.400 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.655 2.817 3.438 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.601 3.942 4.053 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.181 2.667 2.128 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.125 3.792 2.746 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.914 3.155 1.782 1.00 0.00 C ATOM 646 OH TYR A 40 -1.445 3.009 0.490 1.00 0.00 O ATOM 0 H TYR A 40 -4.990 1.608 6.189 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.049 2.043 6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.457 3.804 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.930 4.526 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.631 2.440 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.991 4.435 4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.792 2.175 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.148 4.168 2.481 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.786 2.172 0.111 1.00 0.00 H new ATOM 656 N SER A 41 -2.098 3.363 8.665 1.00 0.00 N ATOM 657 CA SER A 41 -2.079 3.814 10.085 1.00 0.00 C ATOM 658 C SER A 41 -0.746 4.515 10.353 1.00 0.00 C ATOM 659 O SER A 41 0.263 4.178 9.766 1.00 0.00 O ATOM 660 CB SER A 41 -2.214 2.616 11.021 1.00 0.00 C ATOM 661 OG SER A 41 -2.190 3.071 12.367 1.00 0.00 O ATOM 0 H SER A 41 -1.230 3.528 8.156 1.00 0.00 H new ATOM 0 HA SER A 41 -2.912 4.494 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.145 2.085 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.401 1.911 10.848 1.00 0.00 H new ATOM 0 HG SER A 41 -3.106 3.117 12.713 1.00 0.00 H new ATOM 667 N TRP A 42 -0.727 5.483 11.232 1.00 0.00 N ATOM 668 CA TRP A 42 0.549 6.203 11.537 1.00 0.00 C ATOM 669 C TRP A 42 1.104 5.678 12.861 1.00 0.00 C ATOM 670 O TRP A 42 2.298 5.664 13.091 1.00 0.00 O ATOM 671 CB TRP A 42 0.256 7.704 11.672 1.00 0.00 C ATOM 672 CG TRP A 42 0.143 8.335 10.320 1.00 0.00 C ATOM 673 CD1 TRP A 42 -1.021 8.625 9.692 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.210 8.765 9.426 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.734 9.214 8.471 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.628 9.320 8.262 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.615 8.729 9.513 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.412 9.823 7.220 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.407 9.232 8.466 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.806 9.778 7.323 1.00 0.00 C ATOM 0 H TRP A 42 -1.541 5.808 11.754 1.00 0.00 H new ATOM 0 HA TRP A 42 1.273 6.040 10.739 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.670 7.852 12.228 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.051 8.187 12.241 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.010 8.429 10.079 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.441 9.531 7.808 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.087 8.312 10.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.945 10.243 6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.484 9.198 8.543 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.419 10.164 6.522 1.00 0.00 H new ATOM 691 N LYS A 43 0.234 5.263 13.737 1.00 0.00 N ATOM 692 CA LYS A 43 0.670 4.750 15.068 1.00 0.00 C ATOM 693 C LYS A 43 0.740 3.222 15.039 1.00 0.00 C ATOM 694 O LYS A 43 -0.206 2.560 14.658 1.00 0.00 O ATOM 695 CB LYS A 43 -0.358 5.177 16.127 1.00 0.00 C ATOM 696 CG LYS A 43 -0.741 6.651 15.923 1.00 0.00 C ATOM 697 CD LYS A 43 -1.891 7.041 16.861 1.00 0.00 C ATOM 698 CE LYS A 43 -3.139 6.184 16.584 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.175 5.792 15.146 1.00 0.00 N ATOM 0 H LYS A 43 -0.775 5.257 13.587 1.00 0.00 H new ATOM 0 HA LYS A 43 1.654 5.155 15.306 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.246 4.549 16.058 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.056 5.035 17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.123 7.287 16.113 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.037 6.816 14.887 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.580 6.913 17.898 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.132 8.096 16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.127 5.294 17.213 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.039 6.743 16.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.144 5.520 14.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.870 6.595 14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.535 4.987 14.990 1.00 0.00 H new ATOM 713 N LEU A 44 1.830 2.647 15.468 1.00 0.00 N ATOM 714 CA LEU A 44 1.904 1.162 15.486 1.00 0.00 C ATOM 715 C LEU A 44 0.986 0.681 16.605 1.00 0.00 C ATOM 716 O LEU A 44 0.379 -0.362 16.521 1.00 0.00 O ATOM 717 CB LEU A 44 3.344 0.704 15.753 1.00 0.00 C ATOM 718 CG LEU A 44 3.407 -0.830 15.862 1.00 0.00 C ATOM 719 CD1 LEU A 44 2.840 -1.482 14.591 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.867 -1.256 16.053 1.00 0.00 C ATOM 0 H LEU A 44 2.661 3.135 15.802 1.00 0.00 H new ATOM 0 HA LEU A 44 1.596 0.749 14.525 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.996 1.045 14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.711 1.156 16.674 1.00 0.00 H new ATOM 0 HG LEU A 44 2.809 -1.154 16.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.892 -2.567 14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.802 -1.178 14.459 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.424 -1.164 13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.922 -2.342 16.131 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.458 -0.923 15.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.261 -0.806 16.964 1.00 0.00 H new ATOM 732 N VAL A 45 0.863 1.470 17.644 1.00 0.00 N ATOM 733 CA VAL A 45 -0.034 1.110 18.784 1.00 0.00 C ATOM 734 C VAL A 45 -0.820 2.359 19.170 1.00 0.00 C ATOM 735 O VAL A 45 -0.437 3.466 18.848 1.00 0.00 O ATOM 736 CB VAL A 45 0.794 0.617 19.981 1.00 0.00 C ATOM 737 CG1 VAL A 45 1.790 -0.447 19.517 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.561 1.792 20.603 1.00 0.00 C ATOM 0 H VAL A 45 1.352 2.359 17.751 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.711 0.308 18.492 1.00 0.00 H new ATOM 0 HB VAL A 45 0.122 0.188 20.724 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.375 -0.794 20.369 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.249 -1.287 19.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.457 -0.019 18.769 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.146 1.436 21.451 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.228 2.226 19.858 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.854 2.549 20.942 1.00 0.00 H new ATOM 748 N ALA A 46 -1.926 2.194 19.826 1.00 0.00 N ATOM 749 CA ALA A 46 -2.746 3.377 20.192 1.00 0.00 C ATOM 750 C ALA A 46 -2.138 4.110 21.393 1.00 0.00 C ATOM 751 O ALA A 46 -2.774 4.295 22.411 1.00 0.00 O ATOM 752 CB ALA A 46 -4.168 2.912 20.510 1.00 0.00 C ATOM 0 H ALA A 46 -2.300 1.293 20.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.767 4.076 19.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.780 3.772 20.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.595 2.423 19.634 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.143 2.208 21.342 1.00 0.00 H new ATOM 758 N THR A 47 -0.914 4.558 21.264 1.00 0.00 N ATOM 759 CA THR A 47 -0.260 5.316 22.376 1.00 0.00 C ATOM 760 C THR A 47 0.719 6.329 21.772 1.00 0.00 C ATOM 761 O THR A 47 0.988 7.367 22.343 1.00 0.00 O ATOM 762 CB THR A 47 0.496 4.369 23.317 1.00 0.00 C ATOM 763 OG1 THR A 47 1.675 3.898 22.681 1.00 0.00 O ATOM 764 CG2 THR A 47 -0.398 3.186 23.705 1.00 0.00 C ATOM 0 H THR A 47 -0.337 4.431 20.433 1.00 0.00 H new ATOM 0 HA THR A 47 -1.028 5.828 22.956 1.00 0.00 H new ATOM 0 HB THR A 47 0.771 4.913 24.221 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.155 3.295 23.287 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.149 2.520 24.373 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.290 3.555 24.211 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.689 2.640 22.808 1.00 0.00 H new ATOM 772 N ASP A 48 1.249 6.031 20.616 1.00 0.00 N ATOM 773 CA ASP A 48 2.205 6.958 19.954 1.00 0.00 C ATOM 774 C ASP A 48 1.481 8.242 19.523 1.00 0.00 C ATOM 775 O ASP A 48 0.471 8.614 20.088 1.00 0.00 O ATOM 776 CB ASP A 48 2.783 6.256 18.727 1.00 0.00 C ATOM 777 CG ASP A 48 3.534 4.999 19.166 1.00 0.00 C ATOM 778 OD1 ASP A 48 3.521 4.709 20.352 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.110 4.346 18.311 1.00 0.00 O ATOM 0 H ASP A 48 1.056 5.174 20.098 1.00 0.00 H new ATOM 0 HA ASP A 48 3.003 7.226 20.647 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.983 5.992 18.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.456 6.927 18.194 1.00 0.00 H new ATOM 784 N ARG A 49 1.995 8.925 18.524 1.00 0.00 N ATOM 785 CA ARG A 49 1.351 10.193 18.041 1.00 0.00 C ATOM 786 C ARG A 49 1.306 10.180 16.508 1.00 0.00 C ATOM 787 O ARG A 49 1.453 9.147 15.892 1.00 0.00 O ATOM 788 CB ARG A 49 2.174 11.401 18.515 1.00 0.00 C ATOM 789 CG ARG A 49 2.076 11.551 20.046 1.00 0.00 C ATOM 790 CD ARG A 49 0.825 12.356 20.427 1.00 0.00 C ATOM 791 NE ARG A 49 1.144 13.811 20.403 1.00 0.00 N ATOM 792 CZ ARG A 49 0.180 14.690 20.407 1.00 0.00 C ATOM 793 NH1 ARG A 49 -1.064 14.292 20.434 1.00 0.00 N ATOM 794 NH2 ARG A 49 0.457 15.964 20.384 1.00 0.00 N ATOM 0 H ARG A 49 2.839 8.656 18.019 1.00 0.00 H new ATOM 0 HA ARG A 49 0.339 10.265 18.441 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.216 11.277 18.221 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.812 12.308 18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.038 10.567 20.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.967 12.050 20.426 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.014 12.139 19.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.480 12.065 21.419 1.00 0.00 H new ATOM 0 HE ARG A 49 2.116 14.120 20.383 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.280 13.295 20.452 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.819 14.978 20.437 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.428 16.274 20.363 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.298 16.650 20.387 1.00 0.00 H new ATOM 808 N VAL A 50 1.111 11.316 15.883 1.00 0.00 N ATOM 809 CA VAL A 50 1.055 11.348 14.385 1.00 0.00 C ATOM 810 C VAL A 50 1.475 12.746 13.880 1.00 0.00 C ATOM 811 O VAL A 50 0.984 13.745 14.367 1.00 0.00 O ATOM 812 CB VAL A 50 -0.386 11.079 13.919 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.827 9.685 14.368 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.328 12.129 14.523 1.00 0.00 C ATOM 0 H VAL A 50 0.989 12.219 16.341 1.00 0.00 H new ATOM 0 HA VAL A 50 1.728 10.588 13.989 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.424 11.136 12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.848 9.501 14.035 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.164 8.936 13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.784 9.622 15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.348 11.936 14.191 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.284 12.075 15.611 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.022 13.123 14.197 1.00 0.00 H new ATOM 824 N PRO A 51 2.365 12.834 12.906 1.00 0.00 N ATOM 825 CA PRO A 51 2.811 14.149 12.355 1.00 0.00 C ATOM 826 C PRO A 51 1.657 15.140 12.193 1.00 0.00 C ATOM 827 O PRO A 51 0.617 14.821 11.659 1.00 0.00 O ATOM 828 CB PRO A 51 3.403 13.777 10.993 1.00 0.00 C ATOM 829 CG PRO A 51 3.944 12.395 11.176 1.00 0.00 C ATOM 830 CD PRO A 51 3.048 11.713 12.223 1.00 0.00 C ATOM 0 HA PRO A 51 3.515 14.652 13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.644 13.804 10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.188 14.474 10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.930 11.845 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.980 12.425 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.332 11.037 11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.636 11.119 12.923 1.00 0.00 H new ATOM 838 N ALA A 52 1.843 16.342 12.647 1.00 0.00 N ATOM 839 CA ALA A 52 0.772 17.365 12.519 1.00 0.00 C ATOM 840 C ALA A 52 0.329 17.465 11.055 1.00 0.00 C ATOM 841 O ALA A 52 1.132 17.384 10.148 1.00 0.00 O ATOM 842 CB ALA A 52 1.324 18.710 12.983 1.00 0.00 C ATOM 0 H ALA A 52 2.696 16.664 13.105 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.086 17.085 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.549 19.471 12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.641 18.634 14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.177 18.987 12.363 1.00 0.00 H new ATOM 848 N GLY A 53 -0.946 17.646 10.818 1.00 0.00 N ATOM 849 CA GLY A 53 -1.448 17.759 9.412 1.00 0.00 C ATOM 850 C GLY A 53 -1.989 16.405 8.942 1.00 0.00 C ATOM 851 O GLY A 53 -2.699 16.318 7.960 1.00 0.00 O ATOM 0 H GLY A 53 -1.664 17.721 11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.233 18.513 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.643 18.087 8.754 1.00 0.00 H new ATOM 855 N LYS A 54 -1.659 15.348 9.633 1.00 0.00 N ATOM 856 CA LYS A 54 -2.148 13.999 9.229 1.00 0.00 C ATOM 857 C LYS A 54 -3.507 13.732 9.884 1.00 0.00 C ATOM 858 O LYS A 54 -3.854 14.324 10.886 1.00 0.00 O ATOM 859 CB LYS A 54 -1.129 12.948 9.693 1.00 0.00 C ATOM 860 CG LYS A 54 0.045 12.872 8.703 1.00 0.00 C ATOM 861 CD LYS A 54 0.579 14.282 8.383 1.00 0.00 C ATOM 862 CE LYS A 54 1.898 14.200 7.579 1.00 0.00 C ATOM 863 NZ LYS A 54 1.693 14.822 6.241 1.00 0.00 N ATOM 0 H LYS A 54 -1.068 15.361 10.465 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.261 13.949 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.760 13.203 10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.611 11.974 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.844 12.262 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.279 12.383 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.166 14.837 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.746 14.832 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.697 14.714 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.206 13.160 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.577 14.770 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.942 14.313 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.417 15.818 6.360 1.00 0.00 H new ATOM 877 N ARG A 55 -4.280 12.845 9.316 1.00 0.00 N ATOM 878 CA ARG A 55 -5.617 12.535 9.894 1.00 0.00 C ATOM 879 C ARG A 55 -5.455 11.597 11.091 1.00 0.00 C ATOM 880 O ARG A 55 -4.434 10.962 11.260 1.00 0.00 O ATOM 881 CB ARG A 55 -6.477 11.849 8.833 1.00 0.00 C ATOM 882 CG ARG A 55 -6.390 12.624 7.497 1.00 0.00 C ATOM 883 CD ARG A 55 -7.737 12.572 6.772 1.00 0.00 C ATOM 884 NE ARG A 55 -7.538 12.851 5.324 1.00 0.00 N ATOM 885 CZ ARG A 55 -8.478 12.557 4.468 1.00 0.00 C ATOM 886 NH1 ARG A 55 -9.590 12.015 4.882 1.00 0.00 N ATOM 887 NH2 ARG A 55 -8.305 12.802 3.198 1.00 0.00 N ATOM 0 H ARG A 55 -4.041 12.321 8.474 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.094 13.460 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.141 10.822 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.513 11.801 9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.109 13.660 7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.612 12.193 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.194 11.591 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.421 13.303 7.203 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.667 13.272 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.724 11.821 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.325 11.785 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.435 13.224 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.040 12.572 2.529 1.00 0.00 H new ATOM 901 N ASP A 56 -6.456 11.504 11.924 1.00 0.00 N ATOM 902 CA ASP A 56 -6.367 10.605 13.111 1.00 0.00 C ATOM 903 C ASP A 56 -6.909 9.221 12.746 1.00 0.00 C ATOM 904 O ASP A 56 -7.675 9.066 11.817 1.00 0.00 O ATOM 905 CB ASP A 56 -7.191 11.198 14.257 1.00 0.00 C ATOM 906 CG ASP A 56 -7.242 10.207 15.421 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.251 10.100 16.125 1.00 0.00 O ATOM 908 OD2 ASP A 56 -8.271 9.573 15.588 1.00 0.00 O ATOM 0 H ASP A 56 -7.335 12.014 11.833 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.327 10.511 13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.750 12.139 14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.201 11.423 13.913 1.00 0.00 H new ATOM 913 N ALA A 57 -6.508 8.215 13.473 1.00 0.00 N ATOM 914 CA ALA A 57 -6.986 6.833 13.180 1.00 0.00 C ATOM 915 C ALA A 57 -6.509 5.906 14.296 1.00 0.00 C ATOM 916 O ALA A 57 -5.546 6.194 14.977 1.00 0.00 O ATOM 917 CB ALA A 57 -6.397 6.364 11.839 1.00 0.00 C ATOM 0 H ALA A 57 -5.866 8.291 14.262 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.074 6.817 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.745 5.354 11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.720 7.037 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.309 6.368 11.898 1.00 0.00 H new ATOM 923 N ILE A 58 -7.152 4.787 14.487 1.00 0.00 N ATOM 924 CA ILE A 58 -6.688 3.866 15.550 1.00 0.00 C ATOM 925 C ILE A 58 -5.416 3.186 15.062 1.00 0.00 C ATOM 926 O ILE A 58 -5.290 2.845 13.902 1.00 0.00 O ATOM 927 CB ILE A 58 -7.758 2.811 15.850 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.917 1.862 14.648 1.00 0.00 C ATOM 929 CG2 ILE A 58 -9.088 3.498 16.138 1.00 0.00 C ATOM 930 CD1 ILE A 58 -9.168 0.975 14.812 1.00 0.00 C ATOM 0 H ILE A 58 -7.968 4.477 13.958 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.496 4.424 16.466 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.451 2.233 16.721 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.995 2.442 13.729 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.031 1.235 14.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.847 2.746 16.351 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.978 4.157 16.999 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.391 4.083 15.270 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.260 0.313 13.951 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.075 0.379 15.720 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.054 1.605 14.881 1.00 0.00 H new ATOM 942 N SER A 59 -4.472 2.999 15.928 1.00 0.00 N ATOM 943 CA SER A 59 -3.197 2.351 15.517 1.00 0.00 C ATOM 944 C SER A 59 -3.489 1.115 14.669 1.00 0.00 C ATOM 945 O SER A 59 -4.518 0.484 14.804 1.00 0.00 O ATOM 946 CB SER A 59 -2.429 1.952 16.776 1.00 0.00 C ATOM 947 OG SER A 59 -2.596 0.560 17.020 1.00 0.00 O ATOM 0 H SER A 59 -4.524 3.267 16.911 1.00 0.00 H new ATOM 0 HA SER A 59 -2.602 3.044 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.371 2.186 16.657 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.788 2.526 17.630 1.00 0.00 H new ATOM 0 HG SER A 59 -2.863 0.421 17.953 1.00 0.00 H new ATOM 953 N LEU A 60 -2.591 0.762 13.795 1.00 0.00 N ATOM 954 CA LEU A 60 -2.824 -0.432 12.947 1.00 0.00 C ATOM 955 C LEU A 60 -3.144 -1.621 13.861 1.00 0.00 C ATOM 956 O LEU A 60 -3.990 -2.437 13.567 1.00 0.00 O ATOM 957 CB LEU A 60 -1.552 -0.722 12.112 1.00 0.00 C ATOM 958 CG LEU A 60 -1.899 -0.896 10.628 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.603 -0.957 9.812 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.717 -2.180 10.422 1.00 0.00 C ATOM 0 H LEU A 60 -1.709 1.248 13.633 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.658 -0.261 12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.841 0.095 12.230 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.066 -1.624 12.484 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.498 -0.049 10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.843 -1.081 8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.042 -0.033 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.001 -1.801 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.957 -2.293 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.135 -3.039 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.640 -2.120 10.999 1.00 0.00 H new ATOM 972 N ARG A 61 -2.462 -1.719 14.967 1.00 0.00 N ATOM 973 CA ARG A 61 -2.711 -2.847 15.903 1.00 0.00 C ATOM 974 C ARG A 61 -4.196 -2.879 16.282 1.00 0.00 C ATOM 975 O ARG A 61 -4.754 -3.927 16.536 1.00 0.00 O ATOM 976 CB ARG A 61 -1.846 -2.666 17.157 1.00 0.00 C ATOM 977 CG ARG A 61 -0.382 -3.068 16.852 1.00 0.00 C ATOM 978 CD ARG A 61 -0.150 -4.537 17.209 1.00 0.00 C ATOM 979 NE ARG A 61 1.061 -5.045 16.498 1.00 0.00 N ATOM 980 CZ ARG A 61 1.620 -6.159 16.883 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.117 -6.830 17.883 1.00 0.00 N ATOM 982 NH2 ARG A 61 2.682 -6.605 16.267 1.00 0.00 N ATOM 0 H ARG A 61 -1.740 -1.063 15.263 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.449 -3.790 15.423 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.885 -1.629 17.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.238 -3.277 17.970 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.165 -2.905 15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.302 -2.436 17.419 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.022 -4.643 18.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.021 -5.130 16.932 1.00 0.00 H new ATOM 0 HE ARG A 61 1.450 -4.522 15.713 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.287 -6.483 18.364 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.554 -7.701 18.184 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.075 -6.082 15.484 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.118 -7.476 16.569 1.00 0.00 H new ATOM 996 N GLU A 62 -4.849 -1.745 16.306 1.00 0.00 N ATOM 997 CA GLU A 62 -6.294 -1.734 16.646 1.00 0.00 C ATOM 998 C GLU A 62 -7.087 -2.161 15.408 1.00 0.00 C ATOM 999 O GLU A 62 -8.029 -2.924 15.496 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.690 -0.324 17.090 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.305 -0.113 18.558 1.00 0.00 C ATOM 1002 CD GLU A 62 -7.223 -0.944 19.455 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.249 -1.389 18.968 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.884 -1.122 20.614 1.00 0.00 O ATOM 0 H GLU A 62 -4.441 -0.832 16.105 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.508 -2.426 17.461 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.193 0.417 16.464 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.763 -0.181 16.962 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.266 -0.402 18.717 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.385 0.943 18.817 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.694 -1.704 14.245 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.411 -2.125 13.009 1.00 0.00 C ATOM 1013 C LYS A 63 -7.221 -3.630 12.848 1.00 0.00 C ATOM 1014 O LYS A 63 -8.163 -4.381 12.704 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.823 -1.405 11.789 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.849 0.111 12.017 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.710 0.849 10.681 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.954 2.343 10.901 1.00 0.00 C ATOM 1019 NZ LYS A 63 -7.004 3.037 9.583 1.00 0.00 N ATOM 0 H LYS A 63 -5.914 -1.063 14.101 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.469 -1.874 13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.800 -1.738 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.395 -1.657 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.781 0.397 12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.039 0.400 12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.715 0.689 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.425 0.455 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.890 2.494 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.160 2.765 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.270 4.032 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.069 2.990 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.708 2.574 8.973 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.996 -4.068 12.896 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.696 -5.520 12.770 1.00 0.00 C ATOM 1035 C ILE A 64 -6.527 -6.293 13.800 1.00 0.00 C ATOM 1036 O ILE A 64 -7.144 -7.294 13.493 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.190 -5.730 13.039 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.379 -5.376 11.772 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.906 -7.188 13.440 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.968 -4.918 12.164 1.00 0.00 C ATOM 0 H ILE A 64 -5.177 -3.472 13.019 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.944 -5.880 11.771 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.892 -5.078 13.860 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.319 -6.243 11.114 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.885 -4.587 11.215 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.839 -7.313 13.625 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.462 -7.431 14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.215 -7.854 12.634 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.403 -4.670 11.265 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.036 -4.038 12.804 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.462 -5.720 12.702 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.526 -5.842 15.022 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.292 -6.552 16.083 1.00 0.00 C ATOM 1054 C ALA A 65 -8.739 -6.763 15.633 1.00 0.00 C ATOM 1055 O ALA A 65 -9.390 -7.705 16.035 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.283 -5.721 17.365 1.00 0.00 C ATOM 0 H ALA A 65 -6.026 -5.009 15.333 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.826 -7.520 16.267 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.844 -6.242 18.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.255 -5.575 17.697 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.743 -4.752 17.174 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.253 -5.898 14.808 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.657 -6.078 14.352 1.00 0.00 C ATOM 1064 C GLU A 66 -10.699 -7.209 13.324 1.00 0.00 C ATOM 1065 O GLU A 66 -11.636 -7.980 13.265 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.165 -4.780 13.717 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.204 -3.676 14.776 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.352 -3.943 15.751 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -13.483 -4.016 15.299 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.082 -4.069 16.934 1.00 0.00 O ATOM 0 H GLU A 66 -8.769 -5.083 14.433 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.294 -6.327 15.201 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.514 -4.486 12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.160 -4.932 13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.257 -3.640 15.314 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.336 -2.705 14.299 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.683 -7.305 12.513 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.641 -8.377 11.479 1.00 0.00 C ATOM 1079 C LEU A 67 -9.423 -9.741 12.143 1.00 0.00 C ATOM 1080 O LEU A 67 -9.943 -10.745 11.697 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.494 -8.097 10.502 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.454 -6.605 10.165 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -7.346 -6.342 9.146 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.801 -6.179 9.575 1.00 0.00 C ATOM 0 H LEU A 67 -8.875 -6.683 12.522 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.589 -8.390 10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.546 -8.406 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.628 -8.681 9.592 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.257 -6.033 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.317 -5.279 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.387 -6.645 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.543 -6.914 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.773 -5.116 9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.998 -6.751 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.592 -6.366 10.301 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.647 -9.793 13.193 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.390 -11.103 13.862 1.00 0.00 C ATOM 1098 C GLN A 68 -9.563 -11.447 14.791 1.00 0.00 C ATOM 1099 O GLN A 68 -9.956 -12.590 14.914 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.074 -11.020 14.662 1.00 0.00 C ATOM 1101 CG GLN A 68 -7.305 -10.352 16.019 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.961 -9.946 16.629 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.856 -10.383 16.090 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -5.917 -9.224 17.605 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.182 -8.989 13.615 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.298 -11.888 13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.668 -12.021 14.809 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.333 -10.456 14.095 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.941 -9.475 15.900 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.827 -11.036 16.688 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.781 -8.883 18.026 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.016 -8.959 18.003 1.00 0.00 H new