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 -79:sc= 1.14 USER MOD Single : A 7 SER OG : rot 94:sc= 1.2 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.608 USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 1.31 (180deg=1.03) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.104) USER MOD Single : A 15 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.0011) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.56 K(o=-0.56,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.28 (180deg=0.955) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.738 K(o=-0.74,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.87) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 47 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.257 8.158 -2.271 1.00 0.00 N ATOM 35 CA LEU A 3 -4.984 8.806 -0.999 1.00 0.00 C ATOM 36 C LEU A 3 -3.596 9.433 -1.000 1.00 0.00 C ATOM 37 O LEU A 3 -2.873 9.348 -1.992 1.00 0.00 O ATOM 38 CB LEU A 3 -5.117 7.793 0.133 1.00 0.00 C ATOM 39 CG LEU A 3 -6.487 7.119 0.225 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.536 6.162 1.400 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.584 8.163 0.344 1.00 0.00 C ATOM 0 HA LEU A 3 -5.711 9.604 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.356 7.023 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.909 8.294 1.078 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.650 6.547 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.519 5.694 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.773 5.393 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.351 6.710 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.553 7.667 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.422 8.761 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.566 8.811 -0.532 1.00 0.00 H new ATOM 53 N ARG A 4 -3.229 10.065 0.102 1.00 0.00 N ATOM 54 CA ARG A 4 -1.931 10.706 0.208 1.00 0.00 C ATOM 55 C ARG A 4 -0.875 9.698 0.643 1.00 0.00 C ATOM 56 O ARG A 4 -0.998 9.055 1.691 1.00 0.00 O ATOM 57 CB ARG A 4 -1.985 11.888 1.180 1.00 0.00 C ATOM 58 CG ARG A 4 -0.632 12.533 1.430 1.00 0.00 C ATOM 59 CD ARG A 4 -0.764 13.807 2.249 1.00 0.00 C ATOM 60 NE ARG A 4 0.521 14.239 2.796 1.00 0.00 N ATOM 61 CZ ARG A 4 0.849 15.508 3.022 1.00 0.00 C ATOM 62 NH1 ARG A 4 0.004 16.484 2.712 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.027 15.802 3.562 1.00 0.00 N ATOM 0 H ARG A 4 -3.812 10.147 0.935 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.657 11.090 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.669 12.640 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.397 11.548 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.017 11.829 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.154 12.760 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.177 14.599 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.469 13.643 3.064 1.00 0.00 H new ATOM 0 HE ARG A 4 1.210 13.521 3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.902 16.262 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.260 17.456 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.678 15.055 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.280 16.775 3.736 1.00 0.00 H new ATOM 77 N TRP A 5 0.152 9.554 -0.175 1.00 0.00 N ATOM 78 CA TRP A 5 1.210 8.600 0.090 1.00 0.00 C ATOM 79 C TRP A 5 2.386 9.280 0.772 1.00 0.00 C ATOM 80 O TRP A 5 2.884 10.301 0.294 1.00 0.00 O ATOM 81 CB TRP A 5 1.678 7.944 -1.215 1.00 0.00 C ATOM 82 CG TRP A 5 0.620 7.129 -1.899 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.444 7.596 -2.615 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.536 5.703 -1.938 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.194 6.545 -3.082 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.614 5.372 -2.680 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.318 4.673 -1.412 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.997 4.055 -2.906 1.00 0.00 C ATOM 89 CZ3 TRP A 5 0.937 3.366 -1.641 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.213 3.067 -2.380 1.00 0.00 C ATOM 0 H TRP A 5 0.275 10.090 -1.034 1.00 0.00 H new ATOM 0 HA TRP A 5 0.815 7.831 0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 5 2.022 8.721 -1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.534 7.304 -1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.664 8.639 -2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.045 6.625 -3.638 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.205 4.895 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.883 3.821 -3.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.537 2.561 -1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.487 2.034 -2.538 1.00 0.00 H new ATOM 101 N THR A 6 2.812 8.728 1.897 1.00 0.00 N ATOM 102 CA THR A 6 4.032 9.182 2.542 1.00 0.00 C ATOM 103 C THR A 6 5.234 8.841 1.666 1.00 0.00 C ATOM 104 O THR A 6 5.147 7.952 0.815 1.00 0.00 O ATOM 105 CB THR A 6 4.212 8.539 3.933 1.00 0.00 C ATOM 106 OG1 THR A 6 4.036 7.122 3.846 1.00 0.00 O ATOM 107 CG2 THR A 6 3.219 9.108 4.929 1.00 0.00 C ATOM 0 H THR A 6 2.333 7.968 2.380 1.00 0.00 H new ATOM 0 HA THR A 6 3.959 10.261 2.674 1.00 0.00 H new ATOM 0 HB THR A 6 5.221 8.763 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.079 6.913 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.368 8.637 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.370 10.184 5.020 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.204 8.912 4.583 1.00 0.00 H new ATOM 115 N SER A 7 6.345 9.538 1.865 1.00 0.00 N ATOM 116 CA SER A 7 7.546 9.294 1.078 1.00 0.00 C ATOM 117 C SER A 7 7.987 7.836 1.192 1.00 0.00 C ATOM 118 O SER A 7 8.376 7.214 0.204 1.00 0.00 O ATOM 119 CB SER A 7 8.658 10.239 1.533 1.00 0.00 C ATOM 120 OG SER A 7 8.588 10.460 2.935 1.00 0.00 O ATOM 0 H SER A 7 6.439 10.275 2.563 1.00 0.00 H new ATOM 0 HA SER A 7 7.326 9.488 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.629 9.817 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.573 11.189 1.006 1.00 0.00 H new ATOM 0 HG SER A 7 9.173 9.824 3.396 1.00 0.00 H new ATOM 126 N GLU A 8 7.880 7.294 2.398 1.00 0.00 N ATOM 127 CA GLU A 8 8.254 5.913 2.667 1.00 0.00 C ATOM 128 C GLU A 8 7.308 4.960 1.950 1.00 0.00 C ATOM 129 O GLU A 8 7.732 3.954 1.382 1.00 0.00 O ATOM 130 CB GLU A 8 8.230 5.629 4.174 1.00 0.00 C ATOM 131 CG GLU A 8 9.243 6.427 4.986 1.00 0.00 C ATOM 132 CD GLU A 8 9.015 7.924 4.927 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.903 8.377 5.276 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.938 8.652 4.499 1.00 0.00 O ATOM 0 H GLU A 8 7.533 7.798 3.214 1.00 0.00 H new ATOM 0 HA GLU A 8 9.267 5.757 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.231 5.841 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.413 4.566 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.202 6.101 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.246 6.205 4.621 1.00 0.00 H new ATOM 141 N ALA A 9 6.022 5.293 1.980 1.00 0.00 N ATOM 142 CA ALA A 9 5.002 4.490 1.314 1.00 0.00 C ATOM 143 C ALA A 9 5.248 4.437 -0.188 1.00 0.00 C ATOM 144 O ALA A 9 5.087 3.390 -0.811 1.00 0.00 O ATOM 145 CB ALA A 9 3.617 5.043 1.601 1.00 0.00 C ATOM 0 H ALA A 9 5.660 6.117 2.460 1.00 0.00 H new ATOM 0 HA ALA A 9 5.061 3.475 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.869 4.431 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.434 5.026 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.552 6.069 1.238 1.00 0.00 H new ATOM 151 N LYS A 10 5.647 5.567 -0.761 1.00 0.00 N ATOM 152 CA LYS A 10 5.947 5.634 -2.185 1.00 0.00 C ATOM 153 C LYS A 10 7.120 4.721 -2.525 1.00 0.00 C ATOM 154 O LYS A 10 7.097 4.008 -3.529 1.00 0.00 O ATOM 155 CB LYS A 10 6.259 7.073 -2.607 1.00 0.00 C ATOM 156 CG LYS A 10 5.112 8.040 -2.362 1.00 0.00 C ATOM 157 CD LYS A 10 5.422 9.433 -2.883 1.00 0.00 C ATOM 158 CE LYS A 10 4.304 10.411 -2.554 1.00 0.00 C ATOM 159 NZ LYS A 10 4.508 11.735 -3.198 1.00 0.00 N ATOM 0 H LYS A 10 5.770 6.448 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 10 5.068 5.296 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.138 7.420 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.514 7.085 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.211 7.664 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.902 8.091 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.356 9.786 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.568 9.395 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.351 9.994 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.243 10.540 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.723 12.368 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.404 12.147 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.540 11.617 -4.231 1.00 0.00 H new ATOM 173 N THR A 11 8.140 4.733 -1.671 1.00 0.00 N ATOM 174 CA THR A 11 9.299 3.876 -1.855 1.00 0.00 C ATOM 175 C THR A 11 8.900 2.402 -1.739 1.00 0.00 C ATOM 176 O THR A 11 9.286 1.577 -2.568 1.00 0.00 O ATOM 177 CB THR A 11 10.396 4.203 -0.821 1.00 0.00 C ATOM 178 OG1 THR A 11 10.595 5.621 -0.762 1.00 0.00 O ATOM 179 CG2 THR A 11 11.708 3.526 -1.185 1.00 0.00 C ATOM 0 H THR A 11 8.184 5.329 -0.845 1.00 0.00 H new ATOM 0 HA THR A 11 9.696 4.060 -2.853 1.00 0.00 H new ATOM 0 HB THR A 11 10.071 3.831 0.151 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.850 6.036 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.464 3.773 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.565 2.446 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.037 3.873 -2.164 1.00 0.00 H new ATOM 187 N LYS A 12 8.098 2.090 -0.723 1.00 0.00 N ATOM 188 CA LYS A 12 7.613 0.728 -0.503 1.00 0.00 C ATOM 189 C LYS A 12 6.731 0.260 -1.654 1.00 0.00 C ATOM 190 O LYS A 12 6.748 -0.916 -2.017 1.00 0.00 O ATOM 191 CB LYS A 12 6.841 0.637 0.814 1.00 0.00 C ATOM 192 CG LYS A 12 7.734 0.536 2.038 1.00 0.00 C ATOM 193 CD LYS A 12 8.460 -0.802 2.083 1.00 0.00 C ATOM 194 CE LYS A 12 9.329 -0.922 3.326 1.00 0.00 C ATOM 195 NZ LYS A 12 9.943 -2.270 3.454 1.00 0.00 N ATOM 0 H LYS A 12 7.768 2.767 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 12 8.484 0.074 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.202 1.515 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.185 -0.233 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.462 1.347 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.134 0.657 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.732 -1.613 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.079 -0.912 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.116 -0.168 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.726 -0.714 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.848 -2.193 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.302 -2.895 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.110 -2.667 2.507 1.00 0.00 H new ATOM 209 N LEU A 13 5.962 1.179 -2.224 1.00 0.00 N ATOM 210 CA LEU A 13 5.121 0.861 -3.371 1.00 0.00 C ATOM 211 C LEU A 13 5.993 0.467 -4.559 1.00 0.00 C ATOM 212 O LEU A 13 5.624 -0.385 -5.365 1.00 0.00 O ATOM 213 CB LEU A 13 4.236 2.058 -3.740 1.00 0.00 C ATOM 214 CG LEU A 13 3.182 1.787 -4.818 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.180 0.747 -4.341 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.470 3.074 -5.201 1.00 0.00 C ATOM 0 H LEU A 13 5.903 2.148 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 13 4.475 0.024 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.729 2.405 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.877 2.872 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 13 3.688 1.395 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.440 0.569 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.701 -0.184 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.680 1.109 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.725 2.863 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.979 3.493 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.195 3.790 -5.587 1.00 0.00 H new ATOM 228 N LYS A 14 7.169 1.079 -4.639 1.00 0.00 N ATOM 229 CA LYS A 14 8.125 0.795 -5.702 1.00 0.00 C ATOM 230 C LYS A 14 8.796 -0.564 -5.497 1.00 0.00 C ATOM 231 O LYS A 14 9.512 -1.050 -6.373 1.00 0.00 O ATOM 232 CB LYS A 14 9.175 1.903 -5.768 1.00 0.00 C ATOM 233 CG LYS A 14 8.609 3.241 -6.210 1.00 0.00 C ATOM 234 CD LYS A 14 9.622 4.362 -6.051 1.00 0.00 C ATOM 235 CE LYS A 14 9.074 5.674 -6.579 1.00 0.00 C ATOM 236 NZ LYS A 14 8.960 5.669 -8.064 1.00 0.00 N ATOM 0 H LYS A 14 7.485 1.783 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 14 7.583 0.759 -6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.635 2.017 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.965 1.605 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.298 3.177 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.718 3.470 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.885 4.472 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.538 4.107 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.094 5.861 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.724 6.491 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.779 6.636 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.846 5.317 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.175 5.050 -8.350 1.00 0.00 H new ATOM 250 N ASN A 15 8.571 -1.172 -4.338 1.00 0.00 N ATOM 251 CA ASN A 15 9.089 -2.512 -4.074 1.00 0.00 C ATOM 252 C ASN A 15 8.201 -3.550 -4.739 1.00 0.00 C ATOM 253 O ASN A 15 8.636 -4.664 -5.030 1.00 0.00 O ATOM 254 CB ASN A 15 9.159 -2.808 -2.569 1.00 0.00 C ATOM 255 CG ASN A 15 10.297 -2.107 -1.843 1.00 0.00 C ATOM 256 OD1 ASN A 15 10.863 -2.653 -0.895 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.626 -0.894 -2.251 1.00 0.00 N ATOM 0 H ASN A 15 8.038 -0.763 -3.570 1.00 0.00 H new ATOM 0 HA ASN A 15 10.098 -2.559 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.215 -2.514 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.262 -3.884 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.369 -0.381 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.137 -0.471 -3.040 1.00 0.00 H new ATOM 264 N ILE A 16 6.950 -3.174 -4.982 1.00 0.00 N ATOM 265 CA ILE A 16 5.963 -4.105 -5.508 1.00 0.00 C ATOM 266 C ILE A 16 6.071 -4.211 -7.027 1.00 0.00 C ATOM 267 O ILE A 16 6.084 -3.192 -7.725 1.00 0.00 O ATOM 268 CB ILE A 16 4.529 -3.675 -5.124 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.456 -3.349 -3.628 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.530 -4.771 -5.479 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.098 -2.862 -3.173 1.00 0.00 C ATOM 0 H ILE A 16 6.597 -2.230 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 16 6.168 -5.080 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 16 4.272 -2.779 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.721 -4.240 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.201 -2.588 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.525 -4.451 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.567 -4.963 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.783 -5.683 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.126 -2.652 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.837 -1.953 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.350 -3.630 -3.373 1.00 0.00 H new ATOM 283 N PRO A 17 6.174 -5.448 -7.554 1.00 0.00 N ATOM 284 CA PRO A 17 6.202 -5.700 -8.998 1.00 0.00 C ATOM 285 C PRO A 17 5.023 -5.044 -9.716 1.00 0.00 C ATOM 286 O PRO A 17 3.908 -5.029 -9.193 1.00 0.00 O ATOM 287 CB PRO A 17 6.108 -7.225 -9.101 1.00 0.00 C ATOM 288 CG PRO A 17 6.659 -7.725 -7.810 1.00 0.00 C ATOM 289 CD PRO A 17 6.287 -6.697 -6.774 1.00 0.00 C ATOM 0 HA PRO A 17 7.095 -5.286 -9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.077 -7.550 -9.244 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.681 -7.601 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.242 -8.700 -7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.741 -7.846 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.349 -6.947 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.047 -6.617 -5.996 1.00 0.00 H new ATOM 297 N PHE A 18 5.270 -4.524 -10.916 1.00 0.00 N ATOM 298 CA PHE A 18 4.256 -3.768 -11.657 1.00 0.00 C ATOM 299 C PHE A 18 2.991 -4.597 -11.883 1.00 0.00 C ATOM 300 O PHE A 18 1.894 -4.051 -11.986 1.00 0.00 O ATOM 301 CB PHE A 18 4.813 -3.273 -13.002 1.00 0.00 C ATOM 302 CG PHE A 18 5.183 -4.370 -13.968 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.244 -4.884 -14.849 1.00 0.00 C ATOM 304 CD2 PHE A 18 6.471 -4.879 -13.999 1.00 0.00 C ATOM 305 CE1 PHE A 18 4.582 -5.885 -15.738 1.00 0.00 C ATOM 306 CE2 PHE A 18 6.814 -5.879 -14.886 1.00 0.00 C ATOM 307 CZ PHE A 18 5.868 -6.385 -15.755 1.00 0.00 C ATOM 0 H PHE A 18 6.164 -4.611 -11.399 1.00 0.00 H new ATOM 0 HA PHE A 18 3.990 -2.903 -11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.071 -2.627 -13.472 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.695 -2.661 -12.812 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.236 -4.497 -14.840 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.216 -4.489 -13.321 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.841 -6.276 -16.419 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.822 -6.266 -14.900 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.134 -7.171 -16.447 1.00 0.00 H new ATOM 317 N PHE A 19 3.155 -5.914 -11.936 1.00 0.00 N ATOM 318 CA PHE A 19 2.039 -6.824 -12.163 1.00 0.00 C ATOM 319 C PHE A 19 1.031 -6.766 -11.017 1.00 0.00 C ATOM 320 O PHE A 19 -0.171 -6.927 -11.226 1.00 0.00 O ATOM 321 CB PHE A 19 2.564 -8.253 -12.333 1.00 0.00 C ATOM 322 CG PHE A 19 1.483 -9.286 -12.495 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.795 -9.407 -13.690 1.00 0.00 C ATOM 324 CD2 PHE A 19 1.161 -10.138 -11.447 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.194 -10.360 -13.841 1.00 0.00 C ATOM 326 CE2 PHE A 19 0.172 -11.091 -11.592 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.506 -11.202 -12.791 1.00 0.00 C ATOM 0 H PHE A 19 4.057 -6.378 -11.824 1.00 0.00 H new ATOM 0 HA PHE A 19 1.526 -6.514 -13.073 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.219 -8.287 -13.204 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.172 -8.511 -11.466 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.034 -8.750 -14.513 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.689 -10.055 -10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.723 -10.447 -14.779 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.071 -11.748 -10.770 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.280 -11.947 -12.907 1.00 0.00 H new ATOM 337 N ALA A 20 1.519 -6.517 -9.812 1.00 0.00 N ATOM 338 CA ALA A 20 0.670 -6.561 -8.628 1.00 0.00 C ATOM 339 C ALA A 20 0.596 -5.210 -7.926 1.00 0.00 C ATOM 340 O ALA A 20 -0.169 -5.048 -6.984 1.00 0.00 O ATOM 341 CB ALA A 20 1.182 -7.623 -7.667 1.00 0.00 C ATOM 0 H ALA A 20 2.494 -6.283 -9.626 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.339 -6.814 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.544 -7.652 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.166 -8.596 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.203 -7.383 -7.370 1.00 0.00 H new ATOM 347 N ARG A 21 1.376 -4.240 -8.392 1.00 0.00 N ATOM 348 CA ARG A 21 1.485 -2.956 -7.704 1.00 0.00 C ATOM 349 C ARG A 21 0.161 -2.199 -7.691 1.00 0.00 C ATOM 350 O ARG A 21 -0.228 -1.647 -6.666 1.00 0.00 O ATOM 351 CB ARG A 21 2.568 -2.085 -8.338 1.00 0.00 C ATOM 352 CG ARG A 21 2.859 -0.827 -7.534 1.00 0.00 C ATOM 353 CD ARG A 21 3.907 0.052 -8.196 1.00 0.00 C ATOM 354 NE ARG A 21 5.193 -0.624 -8.347 1.00 0.00 N ATOM 355 CZ ARG A 21 6.293 -0.025 -8.797 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.263 1.264 -9.131 1.00 0.00 N ATOM 357 NH2 ARG A 21 7.421 -0.720 -8.900 1.00 0.00 N ATOM 0 H ARG A 21 1.940 -4.316 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 21 1.760 -3.176 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.484 -2.667 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.259 -1.804 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.938 -0.258 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.200 -1.107 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.547 0.364 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.044 0.957 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 21 5.251 -1.610 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.396 1.794 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.107 1.721 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.439 -1.705 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.269 -0.269 -9.244 1.00 0.00 H new ATOM 371 N SER A 22 -0.533 -2.178 -8.820 1.00 0.00 N ATOM 372 CA SER A 22 -1.789 -1.446 -8.914 1.00 0.00 C ATOM 373 C SER A 22 -2.873 -2.156 -8.110 1.00 0.00 C ATOM 374 O SER A 22 -3.713 -1.522 -7.464 1.00 0.00 O ATOM 375 CB SER A 22 -2.218 -1.304 -10.377 1.00 0.00 C ATOM 376 OG SER A 22 -3.388 -0.512 -10.490 1.00 0.00 O ATOM 0 H SER A 22 -0.252 -2.655 -9.677 1.00 0.00 H new ATOM 0 HA SER A 22 -1.642 -0.449 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.411 -0.851 -10.954 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.400 -2.290 -10.803 1.00 0.00 H new ATOM 0 HG SER A 22 -3.641 -0.435 -11.434 1.00 0.00 H new ATOM 382 N GLN A 23 -2.837 -3.479 -8.140 1.00 0.00 N ATOM 383 CA GLN A 23 -3.786 -4.291 -7.400 1.00 0.00 C ATOM 384 C GLN A 23 -3.534 -4.167 -5.898 1.00 0.00 C ATOM 385 O GLN A 23 -4.472 -4.083 -5.097 1.00 0.00 O ATOM 386 CB GLN A 23 -3.675 -5.747 -7.858 1.00 0.00 C ATOM 387 CG GLN A 23 -4.698 -6.666 -7.222 1.00 0.00 C ATOM 388 CD GLN A 23 -4.786 -8.012 -7.911 1.00 0.00 C ATOM 389 OE1 GLN A 23 -5.843 -8.641 -7.925 1.00 0.00 O ATOM 390 NE2 GLN A 23 -3.682 -8.459 -8.492 1.00 0.00 N ATOM 0 H GLN A 23 -2.154 -4.016 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.798 -3.938 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.788 -5.787 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.676 -6.116 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.443 -6.816 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.676 -6.186 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.827 -7.905 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.688 -9.357 -8.975 1.00 0.00 H new ATOM 399 N ALA A 24 -2.261 -4.134 -5.526 1.00 0.00 N ATOM 400 CA ALA A 24 -1.871 -3.937 -4.141 1.00 0.00 C ATOM 401 C ALA A 24 -2.232 -2.533 -3.682 1.00 0.00 C ATOM 402 O ALA A 24 -2.682 -2.342 -2.559 1.00 0.00 O ATOM 403 CB ALA A 24 -0.382 -4.188 -3.960 1.00 0.00 C ATOM 0 H ALA A 24 -1.478 -4.242 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.416 -4.654 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.112 -4.035 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.148 -5.213 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.182 -3.497 -4.586 1.00 0.00 H new ATOM 409 N LYS A 25 -2.044 -1.561 -4.568 1.00 0.00 N ATOM 410 CA LYS A 25 -2.384 -0.172 -4.278 1.00 0.00 C ATOM 411 C LYS A 25 -3.857 -0.042 -3.908 1.00 0.00 C ATOM 412 O LYS A 25 -4.203 0.648 -2.949 1.00 0.00 O ATOM 413 CB LYS A 25 -2.051 0.709 -5.483 1.00 0.00 C ATOM 414 CG LYS A 25 -2.505 2.148 -5.336 1.00 0.00 C ATOM 415 CD LYS A 25 -1.996 3.003 -6.479 1.00 0.00 C ATOM 416 CE LYS A 25 -2.563 4.410 -6.432 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.026 4.429 -6.682 1.00 0.00 N ATOM 0 H LYS A 25 -1.655 -1.711 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.793 0.161 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.973 0.693 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.514 0.281 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.594 2.187 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.145 2.551 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.908 3.049 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.262 2.536 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.356 4.852 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.060 5.028 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.338 5.408 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.242 3.854 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.524 4.038 -5.857 1.00 0.00 H new ATOM 431 N ALA A 26 -4.717 -0.720 -4.663 1.00 0.00 N ATOM 432 CA ALA A 26 -6.146 -0.737 -4.366 1.00 0.00 C ATOM 433 C ALA A 26 -6.395 -1.314 -2.973 1.00 0.00 C ATOM 434 O ALA A 26 -7.249 -0.827 -2.227 1.00 0.00 O ATOM 435 CB ALA A 26 -6.893 -1.543 -5.420 1.00 0.00 C ATOM 0 H ALA A 26 -4.450 -1.264 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.518 0.287 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.958 -1.548 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.738 -1.092 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.519 -2.567 -5.428 1.00 0.00 H new ATOM 441 N ARG A 27 -5.630 -2.348 -2.633 1.00 0.00 N ATOM 442 CA ARG A 27 -5.695 -2.961 -1.312 1.00 0.00 C ATOM 443 C ARG A 27 -5.236 -1.970 -0.242 1.00 0.00 C ATOM 444 O ARG A 27 -5.876 -1.831 0.800 1.00 0.00 O ATOM 445 CB ARG A 27 -4.822 -4.222 -1.281 1.00 0.00 C ATOM 446 CG ARG A 27 -4.920 -5.032 0.003 1.00 0.00 C ATOM 447 CD ARG A 27 -6.296 -5.657 0.166 1.00 0.00 C ATOM 448 NE ARG A 27 -6.367 -6.515 1.349 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.427 -6.599 2.145 1.00 0.00 C ATOM 450 NH1 ARG A 27 -8.518 -5.898 1.877 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.397 -7.406 3.195 1.00 0.00 N ATOM 0 H ARG A 27 -4.953 -2.781 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.728 -3.240 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.100 -4.861 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.782 -3.931 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.162 -5.815 -0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.708 -4.389 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.046 -4.870 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.537 -6.242 -0.722 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.552 -7.084 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.546 -5.291 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.330 -5.965 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.562 -7.959 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.208 -7.474 3.809 1.00 0.00 H new ATOM 465 N ILE A 28 -4.135 -1.277 -0.522 1.00 0.00 N ATOM 466 CA ILE A 28 -3.567 -0.289 0.396 1.00 0.00 C ATOM 467 C ILE A 28 -4.565 0.829 0.689 1.00 0.00 C ATOM 468 O ILE A 28 -4.796 1.179 1.849 1.00 0.00 O ATOM 469 CB ILE A 28 -2.272 0.328 -0.179 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.236 -0.766 -0.435 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.710 1.381 0.770 1.00 0.00 C ATOM 472 CD1 ILE A 28 -0.065 -0.312 -1.278 1.00 0.00 C ATOM 0 H ILE A 28 -3.611 -1.383 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.333 -0.813 1.323 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.511 0.814 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.863 -1.131 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.723 -1.607 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.799 1.803 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.445 2.173 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.484 0.920 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.627 -1.142 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.425 0.026 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.448 0.508 -0.776 1.00 0.00 H new ATOM 484 N GLU A 29 -5.156 1.382 -0.368 1.00 0.00 N ATOM 485 CA GLU A 29 -6.147 2.443 -0.228 1.00 0.00 C ATOM 486 C GLU A 29 -7.302 1.987 0.660 1.00 0.00 C ATOM 487 O GLU A 29 -7.798 2.745 1.496 1.00 0.00 O ATOM 488 CB GLU A 29 -6.675 2.874 -1.601 1.00 0.00 C ATOM 489 CG GLU A 29 -5.639 3.587 -2.459 1.00 0.00 C ATOM 490 CD GLU A 29 -6.194 4.051 -3.792 1.00 0.00 C ATOM 491 OE1 GLU A 29 -7.094 4.917 -3.794 1.00 0.00 O ATOM 492 OE2 GLU A 29 -5.732 3.555 -4.844 1.00 0.00 O ATOM 0 H GLU A 29 -4.964 1.111 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.663 3.299 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.033 1.994 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.532 3.532 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.253 4.448 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.797 2.917 -2.635 1.00 0.00 H new ATOM 499 N GLN A 30 -7.706 0.731 0.495 1.00 0.00 N ATOM 500 CA GLN A 30 -8.803 0.177 1.276 1.00 0.00 C ATOM 501 C GLN A 30 -8.383 0.002 2.735 1.00 0.00 C ATOM 502 O GLN A 30 -9.159 0.275 3.649 1.00 0.00 O ATOM 503 CB GLN A 30 -9.255 -1.163 0.691 1.00 0.00 C ATOM 504 CG GLN A 30 -10.618 -1.614 1.191 1.00 0.00 C ATOM 505 CD GLN A 30 -11.101 -2.868 0.498 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.705 -2.805 -0.573 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.868 -4.016 1.112 1.00 0.00 N ATOM 0 H GLN A 30 -7.290 0.080 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.640 0.874 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.283 -1.085 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.516 -1.926 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.567 -1.793 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.342 -0.814 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.364 -4.027 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.192 -4.890 0.699 1.00 0.00 H new ATOM 516 N LEU A 31 -7.146 -0.440 2.940 1.00 0.00 N ATOM 517 CA LEU A 31 -6.601 -0.624 4.283 1.00 0.00 C ATOM 518 C LEU A 31 -6.536 0.703 5.031 1.00 0.00 C ATOM 519 O LEU A 31 -6.819 0.767 6.228 1.00 0.00 O ATOM 520 CB LEU A 31 -5.203 -1.250 4.213 1.00 0.00 C ATOM 521 CG LEU A 31 -5.151 -2.671 3.645 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.710 -3.096 3.414 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.850 -3.652 4.577 1.00 0.00 C ATOM 0 H LEU A 31 -6.498 -0.679 2.189 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.266 -1.296 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.566 -0.609 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.777 -1.261 5.216 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.675 -2.676 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.689 -4.108 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.238 -2.414 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.167 -3.071 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.801 -4.655 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.357 -3.644 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.893 -3.360 4.697 1.00 0.00 H new ATOM 535 N ALA A 32 -6.181 1.764 4.313 1.00 0.00 N ATOM 536 CA ALA A 32 -6.093 3.093 4.903 1.00 0.00 C ATOM 537 C ALA A 32 -7.465 3.590 5.339 1.00 0.00 C ATOM 538 O ALA A 32 -7.594 4.269 6.357 1.00 0.00 O ATOM 539 CB ALA A 32 -5.461 4.066 3.924 1.00 0.00 C ATOM 0 H ALA A 32 -5.949 1.728 3.320 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.461 3.029 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.402 5.054 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.458 3.725 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.068 4.119 3.020 1.00 0.00 H new ATOM 545 N ARG A 33 -8.493 3.238 4.577 1.00 0.00 N ATOM 546 CA ARG A 33 -9.859 3.598 4.937 1.00 0.00 C ATOM 547 C ARG A 33 -10.298 2.846 6.191 1.00 0.00 C ATOM 548 O ARG A 33 -11.114 3.341 6.967 1.00 0.00 O ATOM 549 CB ARG A 33 -10.814 3.316 3.780 1.00 0.00 C ATOM 550 CG ARG A 33 -10.483 4.112 2.531 1.00 0.00 C ATOM 551 CD ARG A 33 -11.383 3.736 1.368 1.00 0.00 C ATOM 552 NE ARG A 33 -10.901 4.310 0.113 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.540 3.584 -0.946 1.00 0.00 C ATOM 554 NH1 ARG A 33 -10.723 2.267 -0.949 1.00 0.00 N ATOM 555 NH2 ARG A 33 -10.030 4.180 -2.019 1.00 0.00 N ATOM 0 H ARG A 33 -8.408 2.707 3.711 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.887 4.667 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.786 2.252 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.832 3.547 4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.586 5.177 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.442 3.940 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.430 2.651 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.397 4.084 1.563 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.837 5.326 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.141 1.808 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.446 1.715 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.914 5.193 -2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.754 3.624 -2.828 1.00 0.00 H new ATOM 569 N GLN A 34 -9.741 1.656 6.392 1.00 0.00 N ATOM 570 CA GLN A 34 -10.019 0.871 7.591 1.00 0.00 C ATOM 571 C GLN A 34 -9.262 1.445 8.781 1.00 0.00 C ATOM 572 O GLN A 34 -9.707 1.346 9.928 1.00 0.00 O ATOM 573 CB GLN A 34 -9.643 -0.596 7.377 1.00 0.00 C ATOM 574 CG GLN A 34 -10.349 -1.228 6.192 1.00 0.00 C ATOM 575 CD GLN A 34 -10.086 -2.713 6.069 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.924 -3.460 5.561 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.931 -3.159 6.538 1.00 0.00 N ATOM 0 H GLN A 34 -9.094 1.213 5.740 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.088 0.922 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.565 -0.670 7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.883 -1.161 8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.422 -1.061 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.027 -0.731 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.263 -2.508 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.709 -4.153 6.486 1.00 0.00 H new ATOM 586 N ALA A 35 -8.113 2.046 8.500 1.00 0.00 N ATOM 587 CA ALA A 35 -7.373 2.791 9.508 1.00 0.00 C ATOM 588 C ALA A 35 -8.021 4.155 9.711 1.00 0.00 C ATOM 589 O ALA A 35 -7.668 4.898 10.628 1.00 0.00 O ATOM 590 CB ALA A 35 -5.915 2.940 9.095 1.00 0.00 C ATOM 0 H ALA A 35 -7.673 2.031 7.580 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.400 2.245 10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.376 3.499 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.466 1.953 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.858 3.474 8.147 1.00 0.00 H new ATOM 596 N GLU A 36 -8.962 4.466 8.822 1.00 0.00 N ATOM 597 CA GLU A 36 -9.766 5.680 8.897 1.00 0.00 C ATOM 598 C GLU A 36 -8.901 6.924 8.748 1.00 0.00 C ATOM 599 O GLU A 36 -9.025 7.883 9.515 1.00 0.00 O ATOM 600 CB GLU A 36 -10.572 5.715 10.199 1.00 0.00 C ATOM 601 CG GLU A 36 -11.624 4.618 10.275 1.00 0.00 C ATOM 602 CD GLU A 36 -12.480 4.708 11.519 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.188 5.722 11.684 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.471 3.754 12.324 1.00 0.00 O ATOM 0 H GLU A 36 -9.189 3.875 8.022 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.470 5.671 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.891 5.617 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.059 6.686 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.264 4.674 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.131 3.646 10.249 1.00 0.00 H new ATOM 611 N GLN A 37 -8.036 6.902 7.745 1.00 0.00 N ATOM 612 CA GLN A 37 -7.195 8.044 7.430 1.00 0.00 C ATOM 613 C GLN A 37 -6.921 8.090 5.929 1.00 0.00 C ATOM 614 O GLN A 37 -7.134 7.105 5.221 1.00 0.00 O ATOM 615 CB GLN A 37 -5.881 7.980 8.219 1.00 0.00 C ATOM 616 CG GLN A 37 -5.081 6.709 7.989 1.00 0.00 C ATOM 617 CD GLN A 37 -3.874 6.608 8.907 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.885 7.113 10.027 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.821 5.968 8.432 1.00 0.00 N ATOM 0 H GLN A 37 -7.899 6.099 7.132 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.718 8.956 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.265 8.838 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.103 8.069 9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.726 5.844 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.748 6.675 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.850 5.562 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.979 5.880 9.000 1.00 0.00 H new ATOM 628 N ASP A 38 -6.471 9.237 5.443 1.00 0.00 N ATOM 629 CA ASP A 38 -6.168 9.404 4.023 1.00 0.00 C ATOM 630 C ASP A 38 -4.676 9.300 3.788 1.00 0.00 C ATOM 631 O ASP A 38 -4.202 9.418 2.661 1.00 0.00 O ATOM 632 CB ASP A 38 -6.670 10.752 3.512 1.00 0.00 C ATOM 633 CG ASP A 38 -8.176 10.862 3.534 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.832 10.259 2.660 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.710 11.564 4.419 1.00 0.00 O ATOM 0 H ASP A 38 -6.306 10.069 6.009 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.678 8.610 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.243 11.548 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.314 10.905 2.493 1.00 0.00 H new ATOM 640 N ILE A 39 -3.944 9.100 4.865 1.00 0.00 N ATOM 641 CA ILE A 39 -2.503 8.969 4.800 1.00 0.00 C ATOM 642 C ILE A 39 -2.118 7.500 4.864 1.00 0.00 C ATOM 643 O ILE A 39 -2.490 6.800 5.803 1.00 0.00 O ATOM 644 CB ILE A 39 -1.820 9.701 5.973 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.320 11.145 6.084 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.307 9.671 5.814 1.00 0.00 C ATOM 647 CD1 ILE A 39 -2.072 11.979 4.850 1.00 0.00 C ATOM 0 H ILE A 39 -4.329 9.024 5.806 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.172 9.413 3.861 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.082 9.180 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.390 11.133 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.835 11.622 6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.157 10.192 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.036 8.637 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.029 10.162 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.455 12.987 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.001 12.025 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.581 11.528 3.998 1.00 0.00 H new ATOM 659 N VAL A 40 -1.390 7.023 3.871 1.00 0.00 N ATOM 660 CA VAL A 40 -0.909 5.656 3.908 1.00 0.00 C ATOM 661 C VAL A 40 0.532 5.622 4.400 1.00 0.00 C ATOM 662 O VAL A 40 1.378 6.410 3.964 1.00 0.00 O ATOM 663 CB VAL A 40 -1.022 4.947 2.538 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.447 5.009 2.013 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.059 5.538 1.530 1.00 0.00 C ATOM 0 H VAL A 40 -1.122 7.553 3.041 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.548 5.110 4.602 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.753 3.901 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.502 4.504 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.116 4.517 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.746 6.050 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.164 5.017 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.281 6.596 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.962 5.427 1.894 1.00 0.00 H new ATOM 675 N THR A 41 0.797 4.745 5.346 1.00 0.00 N ATOM 676 CA THR A 41 2.138 4.557 5.848 1.00 0.00 C ATOM 677 C THR A 41 2.791 3.390 5.118 1.00 0.00 C ATOM 678 O THR A 41 2.093 2.585 4.490 1.00 0.00 O ATOM 679 CB THR A 41 2.117 4.289 7.367 1.00 0.00 C ATOM 680 OG1 THR A 41 1.194 3.233 7.660 1.00 0.00 O ATOM 681 CG2 THR A 41 1.723 5.544 8.133 1.00 0.00 C ATOM 0 H THR A 41 0.095 4.149 5.784 1.00 0.00 H new ATOM 0 HA THR A 41 2.714 5.465 5.671 1.00 0.00 H new ATOM 0 HB THR A 41 3.119 3.995 7.679 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.185 3.065 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.715 5.330 9.202 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.442 6.337 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.729 5.865 7.820 1.00 0.00 H new ATOM 689 N PRO A 42 4.128 3.281 5.166 1.00 0.00 N ATOM 690 CA PRO A 42 4.847 2.170 4.535 1.00 0.00 C ATOM 691 C PRO A 42 4.379 0.827 5.080 1.00 0.00 C ATOM 692 O PRO A 42 4.490 -0.203 4.414 1.00 0.00 O ATOM 693 CB PRO A 42 6.315 2.420 4.905 1.00 0.00 C ATOM 694 CG PRO A 42 6.268 3.375 6.051 1.00 0.00 C ATOM 695 CD PRO A 42 5.047 4.218 5.829 1.00 0.00 C ATOM 0 HA PRO A 42 4.681 2.129 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.815 1.493 5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.868 2.839 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.209 2.844 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.167 3.990 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.637 4.593 6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.261 5.086 5.205 1.00 0.00 H new ATOM 703 N GLU A 43 3.842 0.864 6.297 1.00 0.00 N ATOM 704 CA GLU A 43 3.271 -0.311 6.940 1.00 0.00 C ATOM 705 C GLU A 43 2.137 -0.880 6.098 1.00 0.00 C ATOM 706 O GLU A 43 2.176 -2.036 5.696 1.00 0.00 O ATOM 707 CB GLU A 43 2.741 0.060 8.326 1.00 0.00 C ATOM 708 CG GLU A 43 2.113 -1.100 9.080 1.00 0.00 C ATOM 709 CD GLU A 43 1.408 -0.643 10.337 1.00 0.00 C ATOM 710 OE1 GLU A 43 2.049 0.040 11.161 1.00 0.00 O ATOM 711 OE2 GLU A 43 0.210 -0.959 10.512 1.00 0.00 O ATOM 0 H GLU A 43 3.792 1.711 6.863 1.00 0.00 H new ATOM 0 HA GLU A 43 4.051 -1.066 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.560 0.465 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.001 0.854 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.402 -1.612 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.885 -1.824 9.340 1.00 0.00 H new ATOM 718 N LEU A 44 1.146 -0.043 5.807 1.00 0.00 N ATOM 719 CA LEU A 44 -0.032 -0.470 5.053 1.00 0.00 C ATOM 720 C LEU A 44 0.350 -0.941 3.655 1.00 0.00 C ATOM 721 O LEU A 44 -0.200 -1.922 3.151 1.00 0.00 O ATOM 722 CB LEU A 44 -1.056 0.667 4.963 1.00 0.00 C ATOM 723 CG LEU A 44 -1.999 0.810 6.165 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.227 1.039 7.457 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.976 1.948 5.932 1.00 0.00 C ATOM 0 H LEU A 44 1.134 0.939 6.082 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.481 -1.308 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.518 1.606 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.659 0.518 4.067 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.552 -0.124 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.927 1.136 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.563 0.194 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.637 1.952 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.640 2.039 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.425 2.879 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.566 1.744 5.038 1.00 0.00 H new ATOM 737 N VAL A 45 1.303 -0.248 3.046 1.00 0.00 N ATOM 738 CA VAL A 45 1.789 -0.611 1.721 1.00 0.00 C ATOM 739 C VAL A 45 2.395 -2.010 1.738 1.00 0.00 C ATOM 740 O VAL A 45 2.079 -2.850 0.893 1.00 0.00 O ATOM 741 CB VAL A 45 2.843 0.394 1.212 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.318 0.027 -0.189 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.279 1.804 1.229 1.00 0.00 C ATOM 0 H VAL A 45 1.756 0.572 3.450 1.00 0.00 H new ATOM 0 HA VAL A 45 0.934 -0.592 1.045 1.00 0.00 H new ATOM 0 HB VAL A 45 3.703 0.352 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.060 0.752 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.764 -0.968 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.470 0.034 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.034 2.502 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.401 1.853 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.996 2.071 2.247 1.00 0.00 H new ATOM 753 N GLU A 46 3.250 -2.258 2.718 1.00 0.00 N ATOM 754 CA GLU A 46 3.912 -3.544 2.835 1.00 0.00 C ATOM 755 C GLU A 46 2.930 -4.616 3.289 1.00 0.00 C ATOM 756 O GLU A 46 2.979 -5.746 2.808 1.00 0.00 O ATOM 757 CB GLU A 46 5.093 -3.449 3.797 1.00 0.00 C ATOM 758 CG GLU A 46 5.892 -4.734 3.908 1.00 0.00 C ATOM 759 CD GLU A 46 7.227 -4.520 4.576 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.207 -4.232 3.860 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.306 -4.630 5.812 1.00 0.00 O ATOM 0 H GLU A 46 3.500 -1.585 3.442 1.00 0.00 H new ATOM 0 HA GLU A 46 4.291 -3.827 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.754 -2.647 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.724 -3.174 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.319 -5.468 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.048 -5.149 2.913 1.00 0.00 H new ATOM 768 N GLN A 47 2.030 -4.255 4.199 1.00 0.00 N ATOM 769 CA GLN A 47 0.996 -5.171 4.662 1.00 0.00 C ATOM 770 C GLN A 47 0.203 -5.716 3.487 1.00 0.00 C ATOM 771 O GLN A 47 -0.077 -6.912 3.420 1.00 0.00 O ATOM 772 CB GLN A 47 0.050 -4.477 5.642 1.00 0.00 C ATOM 773 CG GLN A 47 0.630 -4.305 7.038 1.00 0.00 C ATOM 774 CD GLN A 47 0.983 -5.626 7.696 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.905 -5.701 8.508 1.00 0.00 O ATOM 776 NE2 GLN A 47 0.255 -6.681 7.346 1.00 0.00 N ATOM 0 H GLN A 47 1.997 -3.331 4.631 1.00 0.00 H new ATOM 0 HA GLN A 47 1.488 -5.997 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.214 -3.497 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.873 -5.052 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.523 -3.683 6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.089 -3.774 7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.501 -6.577 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.452 -7.595 7.754 1.00 0.00 H new ATOM 785 N ALA A 48 -0.142 -4.835 2.555 1.00 0.00 N ATOM 786 CA ALA A 48 -0.868 -5.240 1.365 1.00 0.00 C ATOM 787 C ALA A 48 0.016 -6.083 0.456 1.00 0.00 C ATOM 788 O ALA A 48 -0.460 -6.990 -0.228 1.00 0.00 O ATOM 789 CB ALA A 48 -1.394 -4.027 0.620 1.00 0.00 C ATOM 0 H ALA A 48 0.070 -3.839 2.603 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.718 -5.848 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.935 -4.352 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.066 -3.465 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.559 -3.391 0.324 1.00 0.00 H new ATOM 795 N ARG A 49 1.314 -5.795 0.466 1.00 0.00 N ATOM 796 CA ARG A 49 2.260 -6.575 -0.314 1.00 0.00 C ATOM 797 C ARG A 49 2.362 -7.976 0.270 1.00 0.00 C ATOM 798 O ARG A 49 2.539 -8.951 -0.449 1.00 0.00 O ATOM 799 CB ARG A 49 3.637 -5.903 -0.344 1.00 0.00 C ATOM 800 CG ARG A 49 4.663 -6.672 -1.161 1.00 0.00 C ATOM 801 CD ARG A 49 5.974 -5.914 -1.297 1.00 0.00 C ATOM 802 NE ARG A 49 6.627 -5.670 -0.010 1.00 0.00 N ATOM 803 CZ ARG A 49 7.953 -5.592 0.139 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.750 -5.835 -0.894 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.479 -5.289 1.318 1.00 0.00 N ATOM 0 H ARG A 49 1.729 -5.033 1.002 1.00 0.00 H new ATOM 0 HA ARG A 49 1.901 -6.637 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.535 -4.898 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.003 -5.794 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.850 -7.637 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.258 -6.874 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.649 -6.479 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.787 -4.960 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 49 6.040 -5.553 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.350 -6.081 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.762 -5.776 -0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.871 -5.114 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.492 -5.231 1.425 1.00 0.00 H new ATOM 819 N LEU A 50 2.227 -8.062 1.587 1.00 0.00 N ATOM 820 CA LEU A 50 2.229 -9.344 2.272 1.00 0.00 C ATOM 821 C LEU A 50 0.915 -10.078 2.059 1.00 0.00 C ATOM 822 O LEU A 50 0.884 -11.301 2.080 1.00 0.00 O ATOM 823 CB LEU A 50 2.518 -9.176 3.764 1.00 0.00 C ATOM 824 CG LEU A 50 3.971 -9.445 4.161 1.00 0.00 C ATOM 825 CD1 LEU A 50 4.371 -10.849 3.742 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.903 -8.421 3.533 1.00 0.00 C ATOM 0 H LEU A 50 2.115 -7.256 2.202 1.00 0.00 H new ATOM 0 HA LEU A 50 3.029 -9.946 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.255 -8.160 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.870 -9.849 4.325 1.00 0.00 H new ATOM 0 HG LEU A 50 4.055 -9.359 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.407 -11.033 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.724 -11.574 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.270 -10.949 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.930 -8.633 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.821 -8.472 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.627 -7.422 3.871 1.00 0.00 H new ATOM 838 N GLU A 51 -0.166 -9.335 1.850 1.00 0.00 N ATOM 839 CA GLU A 51 -1.440 -9.942 1.474 1.00 0.00 C ATOM 840 C GLU A 51 -1.239 -10.800 0.231 1.00 0.00 C ATOM 841 O GLU A 51 -1.569 -11.989 0.204 1.00 0.00 O ATOM 842 CB GLU A 51 -2.485 -8.861 1.177 1.00 0.00 C ATOM 843 CG GLU A 51 -2.897 -8.042 2.386 1.00 0.00 C ATOM 844 CD GLU A 51 -3.836 -8.794 3.305 1.00 0.00 C ATOM 845 OE1 GLU A 51 -5.061 -8.714 3.091 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.357 -9.460 4.245 1.00 0.00 O ATOM 0 H GLU A 51 -0.188 -8.319 1.933 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.795 -10.556 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.089 -8.189 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.371 -9.335 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.007 -7.749 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.380 -7.124 2.051 1.00 0.00 H new ATOM 853 N PHE A 52 -0.641 -10.195 -0.783 1.00 0.00 N ATOM 854 CA PHE A 52 -0.414 -10.872 -2.046 1.00 0.00 C ATOM 855 C PHE A 52 0.823 -11.754 -1.961 1.00 0.00 C ATOM 856 O PHE A 52 1.001 -12.659 -2.766 1.00 0.00 O ATOM 857 CB PHE A 52 -0.288 -9.860 -3.185 1.00 0.00 C ATOM 858 CG PHE A 52 -1.552 -9.082 -3.416 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.596 -9.637 -4.137 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.700 -7.806 -2.902 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.769 -8.934 -4.341 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.869 -7.096 -3.103 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.904 -7.660 -3.823 1.00 0.00 C ATOM 0 H PHE A 52 -0.304 -9.233 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.272 -11.510 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.524 -9.168 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.017 -10.384 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.493 -10.632 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.894 -7.360 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.577 -9.379 -4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.973 -6.101 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.818 -7.106 -3.981 1.00 0.00 H new