USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot -86:sc= -0.207 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= -0.565 (180deg=-2.3!) USER MOD Single : A 11 THR OG1 : rot 74:sc= 0.845 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.11) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.373 K(o=0.37,f=-3.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 25 LYS NZ :NH3+ -131:sc= 1.11 (180deg=0.0651) USER MOD Single : A 30 GLN : amide:sc= 0.153 K(o=0.15,f=-1.5) USER MOD Single : A 34 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.106 K(o=0.11,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 47 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.379 8.252 -1.979 1.00 0.00 N ATOM 35 CA LEU A 3 -5.049 8.760 -0.660 1.00 0.00 C ATOM 36 C LEU A 3 -3.703 9.465 -0.667 1.00 0.00 C ATOM 37 O LEU A 3 -3.054 9.586 -1.709 1.00 0.00 O ATOM 38 CB LEU A 3 -5.050 7.636 0.372 1.00 0.00 C ATOM 39 CG LEU A 3 -6.405 6.968 0.598 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.340 6.049 1.801 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.498 8.009 0.787 1.00 0.00 C ATOM 0 HA LEU A 3 -5.815 9.485 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.335 6.875 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.696 8.035 1.322 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.647 6.377 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.311 5.578 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.587 5.280 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.075 6.627 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.453 7.509 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.264 8.629 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.561 8.636 -0.102 1.00 0.00 H new ATOM 53 N ARG A 4 -3.308 9.954 0.493 1.00 0.00 N ATOM 54 CA ARG A 4 -2.055 10.664 0.640 1.00 0.00 C ATOM 55 C ARG A 4 -0.958 9.695 1.045 1.00 0.00 C ATOM 56 O ARG A 4 -1.040 9.039 2.085 1.00 0.00 O ATOM 57 CB ARG A 4 -2.204 11.775 1.675 1.00 0.00 C ATOM 58 CG ARG A 4 -3.345 12.725 1.352 1.00 0.00 C ATOM 59 CD ARG A 4 -3.571 13.737 2.461 1.00 0.00 C ATOM 60 NE ARG A 4 -4.755 14.562 2.211 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.826 15.866 2.474 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.787 16.497 3.002 1.00 0.00 N ATOM 63 NH2 ARG A 4 -5.942 16.542 2.218 1.00 0.00 N ATOM 0 H ARG A 4 -3.845 9.870 1.356 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.783 11.117 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.372 11.332 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.273 12.338 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.128 13.249 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.259 12.153 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.685 13.215 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.694 14.378 2.553 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.577 14.110 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.930 15.984 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.845 17.496 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.749 16.062 1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.991 17.540 2.421 1.00 0.00 H new ATOM 77 N TRP A 5 0.061 9.604 0.220 1.00 0.00 N ATOM 78 CA TRP A 5 1.103 8.617 0.416 1.00 0.00 C ATOM 79 C TRP A 5 2.351 9.257 1.001 1.00 0.00 C ATOM 80 O TRP A 5 2.772 10.332 0.570 1.00 0.00 O ATOM 81 CB TRP A 5 1.442 7.926 -0.909 1.00 0.00 C ATOM 82 CG TRP A 5 0.352 7.036 -1.432 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.902 7.407 -1.838 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.423 5.618 -1.604 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.610 6.304 -2.254 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.818 5.195 -2.116 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.419 4.662 -1.369 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.085 3.861 -2.405 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.149 3.337 -1.655 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.094 2.947 -2.168 1.00 0.00 C ATOM 0 H TRP A 5 0.192 10.202 -0.596 1.00 0.00 H new ATOM 0 HA TRP A 5 0.733 7.871 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.665 8.687 -1.657 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.348 7.334 -0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.280 8.419 -1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.567 6.311 -2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.380 4.955 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.042 3.557 -2.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.909 2.590 -1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.275 1.904 -2.381 1.00 0.00 H new ATOM 101 N THR A 6 2.932 8.605 1.995 1.00 0.00 N ATOM 102 CA THR A 6 4.201 9.043 2.552 1.00 0.00 C ATOM 103 C THR A 6 5.331 8.715 1.577 1.00 0.00 C ATOM 104 O THR A 6 5.193 7.811 0.751 1.00 0.00 O ATOM 105 CB THR A 6 4.470 8.368 3.915 1.00 0.00 C ATOM 106 OG1 THR A 6 4.273 6.955 3.808 1.00 0.00 O ATOM 107 CG2 THR A 6 3.548 8.915 4.992 1.00 0.00 C ATOM 0 H THR A 6 2.544 7.769 2.433 1.00 0.00 H new ATOM 0 HA THR A 6 4.155 10.121 2.709 1.00 0.00 H new ATOM 0 HB THR A 6 5.502 8.582 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.326 6.745 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.762 8.420 5.940 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.709 9.988 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.511 8.730 4.712 1.00 0.00 H new ATOM 115 N SER A 7 6.435 9.445 1.668 1.00 0.00 N ATOM 116 CA SER A 7 7.566 9.257 0.764 1.00 0.00 C ATOM 117 C SER A 7 8.084 7.820 0.832 1.00 0.00 C ATOM 118 O SER A 7 8.448 7.224 -0.187 1.00 0.00 O ATOM 119 CB SER A 7 8.676 10.244 1.122 1.00 0.00 C ATOM 120 OG SER A 7 8.158 11.561 1.212 1.00 0.00 O ATOM 0 H SER A 7 6.573 10.178 2.363 1.00 0.00 H new ATOM 0 HA SER A 7 7.235 9.445 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.131 9.960 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.462 10.206 0.367 1.00 0.00 H new ATOM 0 HG SER A 7 8.880 12.181 1.444 1.00 0.00 H new ATOM 126 N GLU A 8 8.085 7.262 2.035 1.00 0.00 N ATOM 127 CA GLU A 8 8.532 5.893 2.245 1.00 0.00 C ATOM 128 C GLU A 8 7.513 4.896 1.693 1.00 0.00 C ATOM 129 O GLU A 8 7.880 3.835 1.186 1.00 0.00 O ATOM 130 CB GLU A 8 8.779 5.641 3.731 1.00 0.00 C ATOM 131 CG GLU A 8 9.868 6.523 4.317 1.00 0.00 C ATOM 132 CD GLU A 8 10.061 6.303 5.800 1.00 0.00 C ATOM 133 OE1 GLU A 8 10.599 5.246 6.186 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.656 7.180 6.589 1.00 0.00 O ATOM 0 H GLU A 8 7.780 7.739 2.883 1.00 0.00 H new ATOM 0 HA GLU A 8 9.468 5.751 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.852 5.807 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.051 4.595 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.807 6.327 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.618 7.569 4.138 1.00 0.00 H new ATOM 141 N ALA A 9 6.232 5.250 1.774 1.00 0.00 N ATOM 142 CA ALA A 9 5.176 4.404 1.230 1.00 0.00 C ATOM 143 C ALA A 9 5.258 4.362 -0.289 1.00 0.00 C ATOM 144 O ALA A 9 5.059 3.317 -0.900 1.00 0.00 O ATOM 145 CB ALA A 9 3.805 4.890 1.674 1.00 0.00 C ATOM 0 H ALA A 9 5.903 6.112 2.209 1.00 0.00 H new ATOM 0 HA ALA A 9 5.319 3.395 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.036 4.242 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.745 4.867 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.650 5.911 1.324 1.00 0.00 H new ATOM 151 N LYS A 10 5.564 5.510 -0.889 1.00 0.00 N ATOM 152 CA LYS A 10 5.764 5.589 -2.329 1.00 0.00 C ATOM 153 C LYS A 10 6.909 4.672 -2.742 1.00 0.00 C ATOM 154 O LYS A 10 6.803 3.929 -3.718 1.00 0.00 O ATOM 155 CB LYS A 10 6.078 7.027 -2.758 1.00 0.00 C ATOM 156 CG LYS A 10 5.017 8.041 -2.371 1.00 0.00 C ATOM 157 CD LYS A 10 5.460 9.451 -2.727 1.00 0.00 C ATOM 158 CE LYS A 10 4.528 10.510 -2.156 1.00 0.00 C ATOM 159 NZ LYS A 10 3.157 10.432 -2.729 1.00 0.00 N ATOM 0 H LYS A 10 5.678 6.397 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 10 4.844 5.272 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.028 7.326 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.209 7.050 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.083 7.809 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.820 7.977 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.470 9.618 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.502 9.554 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.473 10.395 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.944 11.499 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.456 10.566 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.038 11.175 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.017 9.500 -3.170 1.00 0.00 H new ATOM 173 N THR A 11 7.993 4.725 -1.978 1.00 0.00 N ATOM 174 CA THR A 11 9.158 3.888 -2.228 1.00 0.00 C ATOM 175 C THR A 11 8.794 2.407 -2.118 1.00 0.00 C ATOM 176 O THR A 11 9.162 1.599 -2.975 1.00 0.00 O ATOM 177 CB THR A 11 10.291 4.219 -1.235 1.00 0.00 C ATOM 178 OG1 THR A 11 10.565 5.630 -1.257 1.00 0.00 O ATOM 179 CG2 THR A 11 11.561 3.448 -1.573 1.00 0.00 C ATOM 0 H THR A 11 8.089 5.345 -1.174 1.00 0.00 H new ATOM 0 HA THR A 11 9.505 4.093 -3.241 1.00 0.00 H new ATOM 0 HB THR A 11 9.963 3.924 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.847 6.110 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.342 3.701 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.360 2.378 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.891 3.713 -2.578 1.00 0.00 H new ATOM 187 N LYS A 12 8.056 2.061 -1.068 1.00 0.00 N ATOM 188 CA LYS A 12 7.618 0.685 -0.849 1.00 0.00 C ATOM 189 C LYS A 12 6.674 0.219 -1.953 1.00 0.00 C ATOM 190 O LYS A 12 6.734 -0.933 -2.382 1.00 0.00 O ATOM 191 CB LYS A 12 6.930 0.560 0.509 1.00 0.00 C ATOM 192 CG LYS A 12 7.888 0.477 1.683 1.00 0.00 C ATOM 193 CD LYS A 12 8.582 -0.872 1.733 1.00 0.00 C ATOM 194 CE LYS A 12 9.457 -1.003 2.967 1.00 0.00 C ATOM 195 NZ LYS A 12 9.949 -2.392 3.157 1.00 0.00 N ATOM 0 H LYS A 12 7.747 2.718 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 12 8.502 0.048 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.271 1.417 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.300 -0.329 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.633 1.269 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.343 0.643 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.836 -1.666 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.191 -1.002 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.307 -0.326 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.891 -0.695 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.442 -2.464 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.144 -3.050 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.606 -2.636 2.389 1.00 0.00 H new ATOM 209 N LEU A 13 5.801 1.111 -2.408 1.00 0.00 N ATOM 210 CA LEU A 13 4.870 0.792 -3.485 1.00 0.00 C ATOM 211 C LEU A 13 5.633 0.446 -4.756 1.00 0.00 C ATOM 212 O LEU A 13 5.331 -0.537 -5.427 1.00 0.00 O ATOM 213 CB LEU A 13 3.923 1.967 -3.747 1.00 0.00 C ATOM 214 CG LEU A 13 2.867 1.730 -4.831 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.914 0.621 -4.417 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.104 3.013 -5.123 1.00 0.00 C ATOM 0 H LEU A 13 5.718 2.062 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 13 4.277 -0.071 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.414 2.216 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.518 2.836 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 13 3.376 1.419 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.172 0.468 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.474 -0.301 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.412 0.900 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.358 2.825 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.608 3.356 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.799 3.779 -5.468 1.00 0.00 H new ATOM 228 N LYS A 14 6.644 1.250 -5.061 1.00 0.00 N ATOM 229 CA LYS A 14 7.459 1.053 -6.258 1.00 0.00 C ATOM 230 C LYS A 14 8.322 -0.201 -6.138 1.00 0.00 C ATOM 231 O LYS A 14 8.909 -0.656 -7.120 1.00 0.00 O ATOM 232 CB LYS A 14 8.354 2.270 -6.491 1.00 0.00 C ATOM 233 CG LYS A 14 7.591 3.568 -6.689 1.00 0.00 C ATOM 234 CD LYS A 14 8.529 4.763 -6.655 1.00 0.00 C ATOM 235 CE LYS A 14 7.769 6.072 -6.761 1.00 0.00 C ATOM 236 NZ LYS A 14 8.670 7.243 -6.596 1.00 0.00 N ATOM 0 H LYS A 14 6.922 2.050 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 14 6.785 0.928 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.027 2.382 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.976 2.089 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.064 3.542 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.836 3.672 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.104 4.749 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.244 4.689 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.273 6.128 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.988 6.103 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.117 8.120 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.124 7.202 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.400 7.227 -7.337 1.00 0.00 H new ATOM 250 N ASN A 15 8.404 -0.748 -4.933 1.00 0.00 N ATOM 251 CA ASN A 15 9.173 -1.961 -4.692 1.00 0.00 C ATOM 252 C ASN A 15 8.363 -3.175 -5.134 1.00 0.00 C ATOM 253 O ASN A 15 8.906 -4.256 -5.377 1.00 0.00 O ATOM 254 CB ASN A 15 9.517 -2.084 -3.207 1.00 0.00 C ATOM 255 CG ASN A 15 10.765 -2.910 -2.957 1.00 0.00 C ATOM 256 OD1 ASN A 15 10.727 -4.139 -2.937 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.873 -2.230 -2.722 1.00 0.00 N ATOM 0 H ASN A 15 7.946 -0.369 -4.104 1.00 0.00 H new ATOM 0 HA ASN A 15 10.099 -1.913 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.657 -1.088 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.676 -2.536 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.741 -2.725 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.861 -1.210 -2.748 1.00 0.00 H new ATOM 264 N ILE A 16 7.056 -2.981 -5.227 1.00 0.00 N ATOM 265 CA ILE A 16 6.143 -4.032 -5.640 1.00 0.00 C ATOM 266 C ILE A 16 6.047 -4.074 -7.167 1.00 0.00 C ATOM 267 O ILE A 16 5.917 -3.030 -7.808 1.00 0.00 O ATOM 268 CB ILE A 16 4.738 -3.806 -5.026 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.845 -3.708 -3.499 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.783 -4.924 -5.427 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.522 -3.472 -2.799 1.00 0.00 C ATOM 0 H ILE A 16 6.601 -2.092 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 16 6.529 -4.986 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 16 4.336 -2.869 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.287 -4.628 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.528 -2.897 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.804 -4.743 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.690 -4.951 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.171 -5.879 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.685 -3.415 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.086 -2.536 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.842 -4.294 -3.020 1.00 0.00 H new ATOM 283 N PRO A 17 6.130 -5.280 -7.764 1.00 0.00 N ATOM 284 CA PRO A 17 6.048 -5.461 -9.220 1.00 0.00 C ATOM 285 C PRO A 17 4.807 -4.799 -9.813 1.00 0.00 C ATOM 286 O PRO A 17 3.709 -4.958 -9.285 1.00 0.00 O ATOM 287 CB PRO A 17 5.975 -6.986 -9.400 1.00 0.00 C ATOM 288 CG PRO A 17 5.694 -7.536 -8.040 1.00 0.00 C ATOM 289 CD PRO A 17 6.297 -6.563 -7.071 1.00 0.00 C ATOM 0 HA PRO A 17 6.895 -5.003 -9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.190 -7.261 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.911 -7.379 -9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.622 -7.639 -7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.131 -8.527 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.782 -6.575 -6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.346 -6.784 -6.874 1.00 0.00 H new ATOM 297 N PHE A 18 4.996 -4.081 -10.920 1.00 0.00 N ATOM 298 CA PHE A 18 3.930 -3.304 -11.561 1.00 0.00 C ATOM 299 C PHE A 18 2.643 -4.110 -11.723 1.00 0.00 C ATOM 300 O PHE A 18 1.551 -3.603 -11.464 1.00 0.00 O ATOM 301 CB PHE A 18 4.394 -2.807 -12.932 1.00 0.00 C ATOM 302 CG PHE A 18 3.338 -2.048 -13.687 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.007 -0.752 -13.332 1.00 0.00 C ATOM 304 CD2 PHE A 18 2.671 -2.638 -14.746 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.032 -0.057 -14.019 1.00 0.00 C ATOM 306 CE2 PHE A 18 1.696 -1.949 -15.436 1.00 0.00 C ATOM 307 CZ PHE A 18 1.377 -0.657 -15.075 1.00 0.00 C ATOM 0 H PHE A 18 5.894 -4.020 -11.400 1.00 0.00 H new ATOM 0 HA PHE A 18 3.714 -2.458 -10.909 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.266 -2.166 -12.801 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.713 -3.661 -13.530 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.518 -0.278 -12.507 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.917 -3.649 -15.035 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.783 0.954 -13.731 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.182 -2.422 -16.260 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.616 -0.116 -15.618 1.00 0.00 H new ATOM 317 N PHE A 19 2.788 -5.365 -12.129 1.00 0.00 N ATOM 318 CA PHE A 19 1.645 -6.234 -12.386 1.00 0.00 C ATOM 319 C PHE A 19 0.749 -6.364 -11.153 1.00 0.00 C ATOM 320 O PHE A 19 -0.473 -6.477 -11.269 1.00 0.00 O ATOM 321 CB PHE A 19 2.139 -7.613 -12.833 1.00 0.00 C ATOM 322 CG PHE A 19 1.045 -8.628 -13.031 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.211 -8.565 -14.134 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.857 -9.645 -12.108 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.792 -9.498 -14.314 1.00 0.00 C ATOM 326 CE2 PHE A 19 -0.143 -10.582 -12.283 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.970 -10.508 -13.387 1.00 0.00 C ATOM 0 H PHE A 19 3.693 -5.807 -12.289 1.00 0.00 H new ATOM 0 HA PHE A 19 1.047 -5.786 -13.180 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.690 -7.503 -13.767 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.841 -7.993 -12.091 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.346 -7.778 -14.862 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.500 -9.706 -11.242 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.437 -9.438 -15.178 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.278 -11.371 -11.558 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.754 -11.238 -13.526 1.00 0.00 H new ATOM 337 N ALA A 20 1.355 -6.329 -9.973 1.00 0.00 N ATOM 338 CA ALA A 20 0.608 -6.466 -8.729 1.00 0.00 C ATOM 339 C ALA A 20 0.617 -5.163 -7.935 1.00 0.00 C ATOM 340 O ALA A 20 0.012 -5.073 -6.868 1.00 0.00 O ATOM 341 CB ALA A 20 1.180 -7.603 -7.896 1.00 0.00 C ATOM 0 H ALA A 20 2.360 -6.207 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.428 -6.698 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.614 -7.696 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.112 -8.535 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.224 -7.394 -7.664 1.00 0.00 H new ATOM 347 N ARG A 21 1.283 -4.150 -8.472 1.00 0.00 N ATOM 348 CA ARG A 21 1.451 -2.885 -7.769 1.00 0.00 C ATOM 349 C ARG A 21 0.130 -2.137 -7.670 1.00 0.00 C ATOM 350 O ARG A 21 -0.232 -1.655 -6.600 1.00 0.00 O ATOM 351 CB ARG A 21 2.519 -2.021 -8.456 1.00 0.00 C ATOM 352 CG ARG A 21 2.762 -0.697 -7.752 1.00 0.00 C ATOM 353 CD ARG A 21 4.095 -0.073 -8.139 1.00 0.00 C ATOM 354 NE ARG A 21 4.169 0.302 -9.548 1.00 0.00 N ATOM 355 CZ ARG A 21 3.838 1.503 -10.018 1.00 0.00 C ATOM 356 NH1 ARG A 21 3.289 2.407 -9.218 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.056 1.797 -11.291 1.00 0.00 N ATOM 0 H ARG A 21 1.717 -4.180 -9.395 1.00 0.00 H new ATOM 0 HA ARG A 21 1.789 -3.103 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.455 -2.578 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.214 -1.828 -9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.955 -0.005 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.735 -0.851 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.266 0.811 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.897 -0.777 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 21 4.494 -0.399 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.118 2.184 -8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.037 3.326 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.477 1.104 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.803 2.717 -11.653 1.00 0.00 H new ATOM 371 N SER A 22 -0.596 -2.062 -8.777 1.00 0.00 N ATOM 372 CA SER A 22 -1.899 -1.413 -8.791 1.00 0.00 C ATOM 373 C SER A 22 -2.874 -2.165 -7.889 1.00 0.00 C ATOM 374 O SER A 22 -3.687 -1.562 -7.186 1.00 0.00 O ATOM 375 CB SER A 22 -2.433 -1.358 -10.222 1.00 0.00 C ATOM 376 OG SER A 22 -1.497 -0.727 -11.077 1.00 0.00 O ATOM 0 H SER A 22 -0.304 -2.443 -9.677 1.00 0.00 H new ATOM 0 HA SER A 22 -1.794 -0.396 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.638 -2.367 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.378 -0.815 -10.243 1.00 0.00 H new ATOM 0 HG SER A 22 -1.853 -0.701 -11.990 1.00 0.00 H new ATOM 382 N GLN A 23 -2.756 -3.485 -7.899 1.00 0.00 N ATOM 383 CA GLN A 23 -3.607 -4.348 -7.093 1.00 0.00 C ATOM 384 C GLN A 23 -3.305 -4.164 -5.604 1.00 0.00 C ATOM 385 O GLN A 23 -4.218 -4.005 -4.788 1.00 0.00 O ATOM 386 CB GLN A 23 -3.400 -5.802 -7.521 1.00 0.00 C ATOM 387 CG GLN A 23 -4.164 -6.816 -6.689 1.00 0.00 C ATOM 388 CD GLN A 23 -4.013 -8.229 -7.222 1.00 0.00 C ATOM 389 OE1 GLN A 23 -3.009 -8.565 -7.850 1.00 0.00 O ATOM 390 NE2 GLN A 23 -5.000 -9.067 -6.966 1.00 0.00 N ATOM 0 H GLN A 23 -2.070 -3.986 -8.464 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.651 -4.078 -7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.699 -5.907 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.337 -6.035 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.809 -6.779 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.220 -6.547 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.816 -8.750 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.947 -10.032 -7.292 1.00 0.00 H new ATOM 399 N ALA A 24 -2.024 -4.167 -5.259 1.00 0.00 N ATOM 400 CA ALA A 24 -1.612 -3.936 -3.882 1.00 0.00 C ATOM 401 C ALA A 24 -2.001 -2.534 -3.442 1.00 0.00 C ATOM 402 O ALA A 24 -2.499 -2.349 -2.340 1.00 0.00 O ATOM 403 CB ALA A 24 -0.115 -4.149 -3.717 1.00 0.00 C ATOM 0 H ALA A 24 -1.256 -4.326 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.127 -4.658 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.166 -3.970 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.139 -5.173 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.424 -3.457 -4.363 1.00 0.00 H new ATOM 409 N LYS A 25 -1.790 -1.558 -4.320 1.00 0.00 N ATOM 410 CA LYS A 25 -2.157 -0.173 -4.047 1.00 0.00 C ATOM 411 C LYS A 25 -3.636 -0.064 -3.692 1.00 0.00 C ATOM 412 O LYS A 25 -4.006 0.646 -2.755 1.00 0.00 O ATOM 413 CB LYS A 25 -1.835 0.697 -5.263 1.00 0.00 C ATOM 414 CG LYS A 25 -2.369 2.114 -5.169 1.00 0.00 C ATOM 415 CD LYS A 25 -1.940 2.941 -6.365 1.00 0.00 C ATOM 416 CE LYS A 25 -2.680 4.264 -6.417 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.146 4.067 -6.549 1.00 0.00 N ATOM 0 H LYS A 25 -1.363 -1.703 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.578 0.179 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.753 0.736 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.246 0.223 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.457 2.092 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.009 2.581 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.867 3.124 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.127 2.382 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.469 4.835 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.314 4.853 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.509 4.666 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.344 3.069 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.613 4.328 -5.657 1.00 0.00 H new ATOM 431 N ALA A 26 -4.469 -0.788 -4.432 1.00 0.00 N ATOM 432 CA ALA A 26 -5.898 -0.818 -4.162 1.00 0.00 C ATOM 433 C ALA A 26 -6.166 -1.318 -2.745 1.00 0.00 C ATOM 434 O ALA A 26 -7.050 -0.810 -2.057 1.00 0.00 O ATOM 435 CB ALA A 26 -6.616 -1.689 -5.180 1.00 0.00 C ATOM 0 H ALA A 26 -4.177 -1.361 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.284 0.198 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.684 -1.699 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.454 -1.288 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.226 -2.705 -5.129 1.00 0.00 H new ATOM 441 N ARG A 27 -5.391 -2.307 -2.313 1.00 0.00 N ATOM 442 CA ARG A 27 -5.520 -2.834 -0.959 1.00 0.00 C ATOM 443 C ARG A 27 -4.905 -1.889 0.074 1.00 0.00 C ATOM 444 O ARG A 27 -5.402 -1.785 1.189 1.00 0.00 O ATOM 445 CB ARG A 27 -4.881 -4.220 -0.842 1.00 0.00 C ATOM 446 CG ARG A 27 -5.641 -5.315 -1.579 1.00 0.00 C ATOM 447 CD ARG A 27 -5.720 -6.595 -0.753 1.00 0.00 C ATOM 448 NE ARG A 27 -6.536 -6.415 0.451 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.512 -7.236 1.505 1.00 0.00 C ATOM 450 NH1 ARG A 27 -5.762 -8.333 1.487 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.270 -6.970 2.562 1.00 0.00 N ATOM 0 H ARG A 27 -4.671 -2.758 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.587 -2.921 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.863 -4.174 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.809 -4.488 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.648 -4.968 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.150 -5.524 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.141 -7.395 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.715 -6.907 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.163 -5.611 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.200 -8.553 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.749 -8.955 2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.866 -6.143 2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.256 -7.593 3.369 1.00 0.00 H new ATOM 465 N ILE A 28 -3.828 -1.207 -0.296 1.00 0.00 N ATOM 466 CA ILE A 28 -3.172 -0.259 0.604 1.00 0.00 C ATOM 467 C ILE A 28 -4.114 0.888 0.956 1.00 0.00 C ATOM 468 O ILE A 28 -4.336 1.189 2.131 1.00 0.00 O ATOM 469 CB ILE A 28 -1.881 0.325 -0.015 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.889 -0.793 -0.325 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.249 1.343 0.926 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.289 -0.355 -1.167 1.00 0.00 C ATOM 0 H ILE A 28 -3.388 -1.291 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.907 -0.812 1.505 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.143 0.829 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.518 -1.206 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.413 -1.597 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.342 1.743 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.952 2.156 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.000 0.860 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.947 -1.206 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.069 0.030 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.839 0.427 -0.644 1.00 0.00 H new ATOM 484 N GLU A 29 -4.682 1.512 -0.069 1.00 0.00 N ATOM 485 CA GLU A 29 -5.621 2.603 0.134 1.00 0.00 C ATOM 486 C GLU A 29 -6.899 2.067 0.780 1.00 0.00 C ATOM 487 O GLU A 29 -7.600 2.784 1.491 1.00 0.00 O ATOM 488 CB GLU A 29 -5.908 3.314 -1.197 1.00 0.00 C ATOM 489 CG GLU A 29 -4.642 3.835 -1.871 1.00 0.00 C ATOM 490 CD GLU A 29 -4.909 4.667 -3.113 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.303 4.093 -4.153 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.690 5.896 -3.063 1.00 0.00 O ATOM 0 H GLU A 29 -4.508 1.280 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.186 3.340 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.416 2.624 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.589 4.146 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.081 4.436 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.010 2.989 -2.140 1.00 0.00 H new ATOM 499 N GLN A 30 -7.168 0.786 0.554 1.00 0.00 N ATOM 500 CA GLN A 30 -8.268 0.092 1.216 1.00 0.00 C ATOM 501 C GLN A 30 -8.018 0.021 2.720 1.00 0.00 C ATOM 502 O GLN A 30 -8.892 0.342 3.519 1.00 0.00 O ATOM 503 CB GLN A 30 -8.407 -1.322 0.648 1.00 0.00 C ATOM 504 CG GLN A 30 -9.506 -2.156 1.281 1.00 0.00 C ATOM 505 CD GLN A 30 -9.505 -3.580 0.761 1.00 0.00 C ATOM 506 OE1 GLN A 30 -8.844 -4.457 1.321 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.226 -3.822 -0.321 1.00 0.00 N ATOM 0 H GLN A 30 -6.634 0.202 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.190 0.644 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.595 -1.251 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.458 -1.843 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.378 -2.165 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.473 -1.696 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.760 -3.070 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.248 -4.761 -0.720 1.00 0.00 H new ATOM 516 N LEU A 31 -6.809 -0.392 3.089 1.00 0.00 N ATOM 517 CA LEU A 31 -6.417 -0.520 4.490 1.00 0.00 C ATOM 518 C LEU A 31 -6.502 0.824 5.215 1.00 0.00 C ATOM 519 O LEU A 31 -6.921 0.892 6.371 1.00 0.00 O ATOM 520 CB LEU A 31 -4.991 -1.078 4.591 1.00 0.00 C ATOM 521 CG LEU A 31 -4.800 -2.496 4.040 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.317 -2.830 3.924 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.502 -3.512 4.929 1.00 0.00 C ATOM 0 H LEU A 31 -6.075 -0.647 2.428 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.110 -1.210 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.317 -0.406 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.689 -1.069 5.638 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.244 -2.540 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.201 -3.840 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.836 -2.121 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.852 -2.768 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.356 -4.513 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.086 -3.464 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.568 -3.288 4.967 1.00 0.00 H new ATOM 535 N ALA A 32 -6.117 1.892 4.530 1.00 0.00 N ATOM 536 CA ALA A 32 -6.137 3.221 5.125 1.00 0.00 C ATOM 537 C ALA A 32 -7.558 3.771 5.216 1.00 0.00 C ATOM 538 O ALA A 32 -7.917 4.420 6.197 1.00 0.00 O ATOM 539 CB ALA A 32 -5.246 4.163 4.345 1.00 0.00 C ATOM 0 H ALA A 32 -5.788 1.865 3.565 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.751 3.138 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.272 5.152 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.223 3.787 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.600 4.230 3.316 1.00 0.00 H new ATOM 545 N ARG A 33 -8.374 3.507 4.199 1.00 0.00 N ATOM 546 CA ARG A 33 -9.775 3.918 4.231 1.00 0.00 C ATOM 547 C ARG A 33 -10.553 3.057 5.223 1.00 0.00 C ATOM 548 O ARG A 33 -11.629 3.435 5.683 1.00 0.00 O ATOM 549 CB ARG A 33 -10.406 3.845 2.836 1.00 0.00 C ATOM 550 CG ARG A 33 -9.810 4.845 1.857 1.00 0.00 C ATOM 551 CD ARG A 33 -10.556 4.877 0.532 1.00 0.00 C ATOM 552 NE ARG A 33 -10.424 3.633 -0.222 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.614 3.544 -1.543 1.00 0.00 C ATOM 554 NH1 ARG A 33 -10.907 4.629 -2.254 1.00 0.00 N ATOM 555 NH2 ARG A 33 -10.505 2.374 -2.148 1.00 0.00 N ATOM 0 H ARG A 33 -8.093 3.015 3.350 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.819 4.956 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.279 2.838 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.478 4.022 2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.826 5.839 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.765 4.593 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.612 5.073 0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.181 5.704 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.173 2.785 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.988 5.535 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.051 4.555 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.276 1.540 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.650 2.305 -3.155 1.00 0.00 H new ATOM 569 N GLN A 34 -9.987 1.898 5.544 1.00 0.00 N ATOM 570 CA GLN A 34 -10.528 1.024 6.578 1.00 0.00 C ATOM 571 C GLN A 34 -10.223 1.614 7.954 1.00 0.00 C ATOM 572 O GLN A 34 -10.997 1.470 8.902 1.00 0.00 O ATOM 573 CB GLN A 34 -9.903 -0.368 6.446 1.00 0.00 C ATOM 574 CG GLN A 34 -10.654 -1.462 7.182 1.00 0.00 C ATOM 575 CD GLN A 34 -9.949 -2.803 7.091 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.099 -3.661 7.961 1.00 0.00 O ATOM 577 NE2 GLN A 34 -9.157 -2.990 6.042 1.00 0.00 N ATOM 0 H GLN A 34 -9.144 1.539 5.096 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.608 0.939 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.847 -0.630 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.880 -0.331 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.765 -1.182 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.658 -1.553 6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.057 -2.256 5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.648 -3.868 5.937 1.00 0.00 H new ATOM 586 N ALA A 35 -9.081 2.290 8.042 1.00 0.00 N ATOM 587 CA ALA A 35 -8.674 2.973 9.263 1.00 0.00 C ATOM 588 C ALA A 35 -9.267 4.380 9.305 1.00 0.00 C ATOM 589 O ALA A 35 -9.134 5.092 10.300 1.00 0.00 O ATOM 590 CB ALA A 35 -7.156 3.028 9.354 1.00 0.00 C ATOM 0 H ALA A 35 -8.416 2.379 7.273 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.051 2.415 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.865 3.541 10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.755 2.014 9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.759 3.568 8.494 1.00 0.00 H new ATOM 596 N GLU A 36 -9.902 4.763 8.196 1.00 0.00 N ATOM 597 CA GLU A 36 -10.599 6.042 8.080 1.00 0.00 C ATOM 598 C GLU A 36 -9.627 7.214 8.207 1.00 0.00 C ATOM 599 O GLU A 36 -9.825 8.129 9.009 1.00 0.00 O ATOM 600 CB GLU A 36 -11.711 6.132 9.128 1.00 0.00 C ATOM 601 CG GLU A 36 -12.760 5.043 8.976 1.00 0.00 C ATOM 602 CD GLU A 36 -13.816 5.102 10.053 1.00 0.00 C ATOM 603 OE1 GLU A 36 -14.739 5.937 9.942 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.739 4.308 11.016 1.00 0.00 O ATOM 0 H GLU A 36 -9.947 4.192 7.352 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.051 6.100 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.271 6.068 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.194 7.107 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.236 5.135 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.273 4.068 9.002 1.00 0.00 H new ATOM 611 N GLN A 37 -8.576 7.178 7.401 1.00 0.00 N ATOM 612 CA GLN A 37 -7.575 8.234 7.396 1.00 0.00 C ATOM 613 C GLN A 37 -7.181 8.578 5.960 1.00 0.00 C ATOM 614 O GLN A 37 -7.564 7.873 5.023 1.00 0.00 O ATOM 615 CB GLN A 37 -6.350 7.804 8.208 1.00 0.00 C ATOM 616 CG GLN A 37 -5.654 6.570 7.665 1.00 0.00 C ATOM 617 CD GLN A 37 -4.647 5.996 8.640 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.820 6.088 9.855 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.583 5.408 8.119 1.00 0.00 N ATOM 0 H GLN A 37 -8.394 6.424 6.738 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.997 9.126 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.637 8.628 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.657 7.613 9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.399 5.811 7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.149 6.822 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.476 5.352 7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.869 5.011 8.730 1.00 0.00 H new ATOM 628 N ASP A 38 -6.426 9.657 5.786 1.00 0.00 N ATOM 629 CA ASP A 38 -6.053 10.117 4.449 1.00 0.00 C ATOM 630 C ASP A 38 -4.678 9.609 4.067 1.00 0.00 C ATOM 631 O ASP A 38 -4.386 9.414 2.891 1.00 0.00 O ATOM 632 CB ASP A 38 -6.033 11.647 4.376 1.00 0.00 C ATOM 633 CG ASP A 38 -7.370 12.285 4.677 1.00 0.00 C ATOM 634 OD1 ASP A 38 -7.646 12.552 5.864 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.139 12.545 3.729 1.00 0.00 O ATOM 0 H ASP A 38 -6.061 10.228 6.548 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.800 9.725 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.292 12.026 5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.711 11.951 3.380 1.00 0.00 H new ATOM 640 N ILE A 39 -3.842 9.396 5.063 1.00 0.00 N ATOM 641 CA ILE A 39 -2.439 9.095 4.831 1.00 0.00 C ATOM 642 C ILE A 39 -2.159 7.607 4.994 1.00 0.00 C ATOM 643 O ILE A 39 -2.694 6.959 5.895 1.00 0.00 O ATOM 644 CB ILE A 39 -1.543 9.899 5.799 1.00 0.00 C ATOM 645 CG1 ILE A 39 -1.898 11.387 5.723 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.072 9.684 5.474 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.274 12.221 6.816 1.00 0.00 C ATOM 0 H ILE A 39 -4.109 9.425 6.047 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.208 9.382 3.805 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.720 9.545 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.581 11.777 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.982 11.495 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.542 10.259 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.170 8.625 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.127 10.013 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.572 13.262 6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.610 11.858 7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.188 12.145 6.757 1.00 0.00 H new ATOM 659 N VAL A 40 -1.336 7.065 4.109 1.00 0.00 N ATOM 660 CA VAL A 40 -0.926 5.673 4.202 1.00 0.00 C ATOM 661 C VAL A 40 0.524 5.584 4.670 1.00 0.00 C ATOM 662 O VAL A 40 1.370 6.406 4.297 1.00 0.00 O ATOM 663 CB VAL A 40 -1.081 4.920 2.858 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.488 5.082 2.301 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.047 5.377 1.842 1.00 0.00 C ATOM 0 H VAL A 40 -0.938 7.570 3.317 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.584 5.195 4.927 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.910 3.862 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.570 4.543 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.209 4.679 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.694 6.139 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.185 4.828 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.167 6.444 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.954 5.187 2.230 1.00 0.00 H new ATOM 675 N THR A 41 0.805 4.602 5.502 1.00 0.00 N ATOM 676 CA THR A 41 2.149 4.391 5.988 1.00 0.00 C ATOM 677 C THR A 41 2.790 3.199 5.279 1.00 0.00 C ATOM 678 O THR A 41 2.084 2.330 4.754 1.00 0.00 O ATOM 679 CB THR A 41 2.149 4.156 7.509 1.00 0.00 C ATOM 680 OG1 THR A 41 1.207 3.137 7.849 1.00 0.00 O ATOM 681 CG2 THR A 41 1.806 5.435 8.255 1.00 0.00 C ATOM 0 H THR A 41 0.117 3.937 5.855 1.00 0.00 H new ATOM 0 HA THR A 41 2.731 5.287 5.774 1.00 0.00 H new ATOM 0 HB THR A 41 3.150 3.838 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.216 2.994 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.812 5.243 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.543 6.203 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.816 5.778 7.954 1.00 0.00 H new ATOM 689 N PRO A 42 4.132 3.161 5.227 1.00 0.00 N ATOM 690 CA PRO A 42 4.874 2.049 4.621 1.00 0.00 C ATOM 691 C PRO A 42 4.437 0.683 5.150 1.00 0.00 C ATOM 692 O PRO A 42 4.487 -0.310 4.428 1.00 0.00 O ATOM 693 CB PRO A 42 6.324 2.328 5.016 1.00 0.00 C ATOM 694 CG PRO A 42 6.390 3.798 5.238 1.00 0.00 C ATOM 695 CD PRO A 42 5.031 4.223 5.720 1.00 0.00 C ATOM 0 HA PRO A 42 4.708 2.000 3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.599 1.781 5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.013 2.017 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.156 4.044 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.654 4.317 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.999 4.301 6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.753 5.199 5.322 1.00 0.00 H new ATOM 703 N GLU A 43 4.003 0.645 6.408 1.00 0.00 N ATOM 704 CA GLU A 43 3.533 -0.594 7.021 1.00 0.00 C ATOM 705 C GLU A 43 2.319 -1.147 6.279 1.00 0.00 C ATOM 706 O GLU A 43 2.234 -2.348 6.029 1.00 0.00 O ATOM 707 CB GLU A 43 3.180 -0.379 8.495 1.00 0.00 C ATOM 708 CG GLU A 43 4.383 -0.319 9.426 1.00 0.00 C ATOM 709 CD GLU A 43 5.329 0.812 9.100 1.00 0.00 C ATOM 710 OE1 GLU A 43 4.983 1.983 9.367 1.00 0.00 O ATOM 711 OE2 GLU A 43 6.426 0.538 8.570 1.00 0.00 O ATOM 0 H GLU A 43 3.967 1.458 7.022 1.00 0.00 H new ATOM 0 HA GLU A 43 4.346 -1.317 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.616 0.549 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.524 -1.186 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.035 -0.209 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.924 -1.264 9.372 1.00 0.00 H new ATOM 718 N LEU A 44 1.388 -0.266 5.921 1.00 0.00 N ATOM 719 CA LEU A 44 0.199 -0.675 5.181 1.00 0.00 C ATOM 720 C LEU A 44 0.567 -1.129 3.776 1.00 0.00 C ATOM 721 O LEU A 44 -0.035 -2.057 3.237 1.00 0.00 O ATOM 722 CB LEU A 44 -0.834 0.455 5.122 1.00 0.00 C ATOM 723 CG LEU A 44 -1.794 0.531 6.317 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.047 0.818 7.612 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.861 1.584 6.075 1.00 0.00 C ATOM 0 H LEU A 44 1.434 0.731 6.131 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.248 -1.515 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.305 1.405 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.422 0.340 4.212 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.277 -0.441 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.756 0.865 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.325 0.024 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.525 1.771 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.533 1.625 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.388 2.557 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.429 1.328 5.181 1.00 0.00 H new ATOM 737 N VAL A 45 1.570 -0.482 3.194 1.00 0.00 N ATOM 738 CA VAL A 45 2.077 -0.899 1.892 1.00 0.00 C ATOM 739 C VAL A 45 2.686 -2.291 1.999 1.00 0.00 C ATOM 740 O VAL A 45 2.426 -3.168 1.171 1.00 0.00 O ATOM 741 CB VAL A 45 3.137 0.079 1.347 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.637 -0.375 -0.017 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.581 1.494 1.278 1.00 0.00 C ATOM 0 H VAL A 45 2.044 0.326 3.598 1.00 0.00 H new ATOM 0 HA VAL A 45 1.236 -0.906 1.199 1.00 0.00 H new ATOM 0 HB VAL A 45 3.983 0.082 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.384 0.329 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.084 -1.365 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.802 -0.414 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.346 2.167 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.714 1.512 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.285 1.817 2.276 1.00 0.00 H new ATOM 753 N GLU A 46 3.483 -2.483 3.041 1.00 0.00 N ATOM 754 CA GLU A 46 4.099 -3.770 3.317 1.00 0.00 C ATOM 755 C GLU A 46 3.021 -4.831 3.525 1.00 0.00 C ATOM 756 O GLU A 46 3.098 -5.926 2.973 1.00 0.00 O ATOM 757 CB GLU A 46 4.988 -3.666 4.561 1.00 0.00 C ATOM 758 CG GLU A 46 5.941 -4.833 4.744 1.00 0.00 C ATOM 759 CD GLU A 46 6.956 -4.929 3.626 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.981 -4.214 3.677 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.740 -5.720 2.687 1.00 0.00 O ATOM 0 H GLU A 46 3.719 -1.754 3.715 1.00 0.00 H new ATOM 0 HA GLU A 46 4.716 -4.060 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.567 -2.744 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.352 -3.589 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.462 -4.728 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.370 -5.760 4.794 1.00 0.00 H new ATOM 768 N GLN A 47 2.003 -4.480 4.306 1.00 0.00 N ATOM 769 CA GLN A 47 0.886 -5.375 4.589 1.00 0.00 C ATOM 770 C GLN A 47 0.228 -5.878 3.312 1.00 0.00 C ATOM 771 O GLN A 47 -0.116 -7.055 3.213 1.00 0.00 O ATOM 772 CB GLN A 47 -0.145 -4.672 5.473 1.00 0.00 C ATOM 773 CG GLN A 47 0.161 -4.779 6.957 1.00 0.00 C ATOM 774 CD GLN A 47 -0.281 -6.104 7.556 1.00 0.00 C ATOM 775 OE1 GLN A 47 -0.564 -6.188 8.750 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.381 -7.138 6.732 1.00 0.00 N ATOM 0 H GLN A 47 1.930 -3.569 4.759 1.00 0.00 H new ATOM 0 HA GLN A 47 1.283 -6.241 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.194 -3.619 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.129 -5.099 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.233 -4.655 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.334 -3.964 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.137 -7.031 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.702 -8.041 7.083 1.00 0.00 H new ATOM 785 N ALA A 48 0.067 -4.997 2.337 1.00 0.00 N ATOM 786 CA ALA A 48 -0.531 -5.377 1.068 1.00 0.00 C ATOM 787 C ALA A 48 0.336 -6.398 0.343 1.00 0.00 C ATOM 788 O ALA A 48 -0.172 -7.341 -0.261 1.00 0.00 O ATOM 789 CB ALA A 48 -0.755 -4.154 0.200 1.00 0.00 C ATOM 0 H ALA A 48 0.341 -4.017 2.400 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.497 -5.838 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.203 -4.457 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.422 -3.461 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.200 -3.664 0.009 1.00 0.00 H new ATOM 795 N ARG A 49 1.650 -6.223 0.432 1.00 0.00 N ATOM 796 CA ARG A 49 2.576 -7.145 -0.204 1.00 0.00 C ATOM 797 C ARG A 49 2.632 -8.446 0.590 1.00 0.00 C ATOM 798 O ARG A 49 2.777 -9.525 0.024 1.00 0.00 O ATOM 799 CB ARG A 49 3.966 -6.513 -0.326 1.00 0.00 C ATOM 800 CG ARG A 49 4.972 -7.397 -1.044 1.00 0.00 C ATOM 801 CD ARG A 49 6.258 -6.650 -1.375 1.00 0.00 C ATOM 802 NE ARG A 49 6.892 -6.056 -0.197 1.00 0.00 N ATOM 803 CZ ARG A 49 8.033 -5.363 -0.243 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.692 -5.244 -1.390 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.518 -4.805 0.857 1.00 0.00 N ATOM 0 H ARG A 49 2.093 -5.455 0.936 1.00 0.00 H new ATOM 0 HA ARG A 49 2.224 -7.367 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.881 -5.566 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.342 -6.285 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.205 -8.260 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.528 -7.778 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.958 -7.336 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.040 -5.865 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 49 6.438 -6.178 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.327 -5.682 -2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.563 -4.715 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.020 -4.904 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.389 -4.276 0.819 1.00 0.00 H new ATOM 819 N LEU A 50 2.481 -8.326 1.903 1.00 0.00 N ATOM 820 CA LEU A 50 2.432 -9.481 2.788 1.00 0.00 C ATOM 821 C LEU A 50 1.236 -10.363 2.423 1.00 0.00 C ATOM 822 O LEU A 50 1.362 -11.585 2.318 1.00 0.00 O ATOM 823 CB LEU A 50 2.324 -9.014 4.246 1.00 0.00 C ATOM 824 CG LEU A 50 3.007 -9.903 5.295 1.00 0.00 C ATOM 825 CD1 LEU A 50 2.362 -11.278 5.367 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.493 -10.022 4.993 1.00 0.00 C ATOM 0 H LEU A 50 2.390 -7.430 2.382 1.00 0.00 H new ATOM 0 HA LEU A 50 3.346 -10.063 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.748 -8.012 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.268 -8.932 4.502 1.00 0.00 H new ATOM 0 HG LEU A 50 2.881 -9.432 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.871 -11.880 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.311 -11.173 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.441 -11.768 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.967 -10.655 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.629 -10.465 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.949 -9.032 5.013 1.00 0.00 H new ATOM 838 N GLU A 51 0.084 -9.724 2.214 1.00 0.00 N ATOM 839 CA GLU A 51 -1.140 -10.423 1.824 1.00 0.00 C ATOM 840 C GLU A 51 -0.937 -11.207 0.531 1.00 0.00 C ATOM 841 O GLU A 51 -1.305 -12.380 0.443 1.00 0.00 O ATOM 842 CB GLU A 51 -2.288 -9.424 1.651 1.00 0.00 C ATOM 843 CG GLU A 51 -2.774 -8.813 2.958 1.00 0.00 C ATOM 844 CD GLU A 51 -3.581 -9.788 3.796 1.00 0.00 C ATOM 845 OE1 GLU A 51 -2.974 -10.572 4.557 1.00 0.00 O ATOM 846 OE2 GLU A 51 -4.830 -9.768 3.694 1.00 0.00 O ATOM 0 H GLU A 51 -0.026 -8.714 2.310 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.392 -11.127 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.964 -8.624 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.123 -9.926 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.916 -8.469 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.384 -7.936 2.740 1.00 0.00 H new ATOM 853 N PHE A 52 -0.330 -10.572 -0.464 1.00 0.00 N ATOM 854 CA PHE A 52 -0.095 -11.231 -1.748 1.00 0.00 C ATOM 855 C PHE A 52 1.130 -12.136 -1.687 1.00 0.00 C ATOM 856 O PHE A 52 1.384 -12.918 -2.603 1.00 0.00 O ATOM 857 CB PHE A 52 0.026 -10.204 -2.874 1.00 0.00 C ATOM 858 CG PHE A 52 -1.268 -9.488 -3.134 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.410 -10.202 -3.458 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.349 -8.109 -3.035 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.607 -9.552 -3.681 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.545 -7.455 -3.254 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.676 -8.178 -3.580 1.00 0.00 C ATOM 0 H PHE A 52 0.007 -9.611 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.957 -11.862 -1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.796 -9.476 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.351 -10.705 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.363 -11.278 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.467 -7.539 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.490 -10.119 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.596 -6.379 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.612 -7.669 -3.755 1.00 0.00 H new