USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 150:sc= 0.896 USER MOD Set 1.2: A 97 THR OG1 : rot -31:sc= 0.00572 USER MOD Set 2.1: A 57 CYS SG : rot 68:sc= 0.542 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.596 K(o=-0.054,f=-3.1!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.503 K(o=0.5,f=-4.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-7.2!) USER MOD Single : A 38 SER OG : rot -34:sc= -0.341 USER MOD Single : A 47 ASN : amide:sc= -0.319 K(o=-0.32,f=-1) USER MOD Single : A 53 THR OG1 : rot -18:sc= 1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 67 SER OG : rot 81:sc= 1.3 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 80 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0813 USER MOD Single : A 87 CYS SG : rot -41:sc= -0.446 USER MOD Single : A 90 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 15.493 -1.784 4.344 1.00 42.52 N ATOM 64 CA VAL A 7 15.936 -3.166 4.216 1.00 63.32 C ATOM 65 C VAL A 7 15.138 -4.086 5.132 1.00 71.33 C ATOM 66 O VAL A 7 14.449 -4.998 4.670 1.00 51.11 O ATOM 67 CB VAL A 7 17.434 -3.309 4.545 1.00 14.34 C ATOM 68 CG1 VAL A 7 17.921 -4.713 4.223 1.00 23.02 C ATOM 69 CG2 VAL A 7 18.246 -2.267 3.788 1.00 71.23 C ATOM 0 HA VAL A 7 15.770 -3.456 3.178 1.00 63.32 H new ATOM 0 HB VAL A 7 17.572 -3.140 5.613 1.00 14.34 H new ATOM 0 HG11 VAL A 7 18.981 -4.794 4.462 1.00 23.02 H new ATOM 0 HG12 VAL A 7 17.359 -5.437 4.813 1.00 23.02 H new ATOM 0 HG13 VAL A 7 17.772 -4.916 3.162 1.00 23.02 H new ATOM 0 HG21 VAL A 7 19.302 -2.382 4.031 1.00 71.23 H new ATOM 0 HG22 VAL A 7 18.104 -2.403 2.716 1.00 71.23 H new ATOM 0 HG23 VAL A 7 17.914 -1.269 4.074 1.00 71.23 H new ATOM 79 N LEU A 8 15.232 -3.842 6.435 1.00 32.42 N ATOM 80 CA LEU A 8 14.518 -4.649 7.419 1.00 43.35 C ATOM 81 C LEU A 8 13.463 -3.817 8.142 1.00 44.22 C ATOM 82 O LEU A 8 13.737 -2.707 8.595 1.00 15.20 O ATOM 83 CB LEU A 8 15.499 -5.241 8.432 1.00 1.22 C ATOM 84 CG LEU A 8 16.696 -5.991 7.847 1.00 13.24 C ATOM 85 CD1 LEU A 8 17.539 -6.598 8.958 1.00 21.01 C ATOM 86 CD2 LEU A 8 16.231 -7.067 6.878 1.00 50.35 C ATOM 0 H LEU A 8 15.796 -3.092 6.835 1.00 32.42 H new ATOM 0 HA LEU A 8 14.017 -5.461 6.892 1.00 43.35 H new ATOM 0 HB2 LEU A 8 15.874 -4.433 9.060 1.00 1.22 H new ATOM 0 HB3 LEU A 8 14.951 -5.923 9.083 1.00 1.22 H new ATOM 0 HG LEU A 8 17.313 -5.280 7.298 1.00 13.24 H new ATOM 0 HD11 LEU A 8 18.387 -7.128 8.523 1.00 21.01 H new ATOM 0 HD12 LEU A 8 17.903 -5.806 9.612 1.00 21.01 H new ATOM 0 HD13 LEU A 8 16.932 -7.296 9.535 1.00 21.01 H new ATOM 0 HD21 LEU A 8 17.097 -7.590 6.472 1.00 50.35 H new ATOM 0 HD22 LEU A 8 15.591 -7.777 7.402 1.00 50.35 H new ATOM 0 HD23 LEU A 8 15.671 -6.606 6.064 1.00 50.35 H new ATOM 98 N SER A 9 12.255 -4.364 8.247 1.00 15.42 N ATOM 99 CA SER A 9 11.158 -3.672 8.913 1.00 14.22 C ATOM 100 C SER A 9 11.256 -3.831 10.427 1.00 51.32 C ATOM 101 O SER A 9 12.247 -4.343 10.946 1.00 55.33 O ATOM 102 CB SER A 9 9.813 -4.208 8.417 1.00 34.22 C ATOM 103 OG SER A 9 9.380 -5.303 9.204 1.00 21.53 O ATOM 0 H SER A 9 12.012 -5.284 7.879 1.00 15.42 H new ATOM 0 HA SER A 9 11.229 -2.611 8.671 1.00 14.22 H new ATOM 0 HB2 SER A 9 9.067 -3.414 8.451 1.00 34.22 H new ATOM 0 HB3 SER A 9 9.903 -4.517 7.376 1.00 34.22 H new ATOM 0 HG SER A 9 8.518 -5.626 8.868 1.00 21.53 H new ATOM 109 N GLY A 10 10.218 -3.389 11.130 1.00 72.13 N ATOM 110 CA GLY A 10 10.205 -3.490 12.578 1.00 64.02 C ATOM 111 C GLY A 10 10.329 -4.923 13.060 1.00 12.32 C ATOM 112 O GLY A 10 11.165 -5.230 13.908 1.00 12.02 O ATOM 0 H GLY A 10 9.386 -2.963 10.723 1.00 72.13 H new ATOM 0 HA2 GLY A 10 11.025 -2.900 12.988 1.00 64.02 H new ATOM 0 HA3 GLY A 10 9.280 -3.060 12.961 1.00 64.02 H new ATOM 116 N GLY A 11 9.491 -5.803 12.518 1.00 1.14 N ATOM 117 CA GLY A 11 9.526 -7.199 12.912 1.00 5.24 C ATOM 118 C GLY A 11 10.834 -7.872 12.544 1.00 11.04 C ATOM 119 O GLY A 11 11.388 -8.638 13.333 1.00 10.45 O ATOM 0 H GLY A 11 8.790 -5.574 11.814 1.00 1.14 H new ATOM 0 HA2 GLY A 11 9.373 -7.274 13.989 1.00 5.24 H new ATOM 0 HA3 GLY A 11 8.701 -7.729 12.435 1.00 5.24 H new ATOM 123 N GLU A 12 11.327 -7.589 11.343 1.00 11.34 N ATOM 124 CA GLU A 12 12.576 -8.175 10.872 1.00 41.30 C ATOM 125 C GLU A 12 13.757 -7.675 11.699 1.00 63.33 C ATOM 126 O GLU A 12 14.656 -8.443 12.046 1.00 63.32 O ATOM 127 CB GLU A 12 12.797 -7.842 9.394 1.00 72.44 C ATOM 128 CG GLU A 12 11.573 -8.082 8.527 1.00 15.15 C ATOM 129 CD GLU A 12 11.851 -7.860 7.053 1.00 72.45 C ATOM 130 OE1 GLU A 12 12.258 -8.825 6.374 1.00 14.23 O ATOM 131 OE2 GLU A 12 11.659 -6.720 6.579 1.00 35.10 O ATOM 0 H GLU A 12 10.880 -6.957 10.678 1.00 11.34 H new ATOM 0 HA GLU A 12 12.506 -9.257 10.987 1.00 41.30 H new ATOM 0 HB2 GLU A 12 13.095 -6.797 9.306 1.00 72.44 H new ATOM 0 HB3 GLU A 12 13.624 -8.442 9.015 1.00 72.44 H new ATOM 0 HG2 GLU A 12 11.220 -9.102 8.677 1.00 15.15 H new ATOM 0 HG3 GLU A 12 10.770 -7.417 8.846 1.00 15.15 H new ATOM 138 N LEU A 13 13.749 -6.385 12.012 1.00 42.33 N ATOM 139 CA LEU A 13 14.819 -5.781 12.798 1.00 61.32 C ATOM 140 C LEU A 13 15.056 -6.563 14.087 1.00 11.13 C ATOM 141 O LEU A 13 16.189 -6.676 14.557 1.00 41.35 O ATOM 142 CB LEU A 13 14.479 -4.327 13.127 1.00 12.22 C ATOM 143 CG LEU A 13 15.635 -3.466 13.641 1.00 62.44 C ATOM 144 CD1 LEU A 13 16.566 -3.087 12.501 1.00 32.05 C ATOM 145 CD2 LEU A 13 15.104 -2.222 14.337 1.00 1.43 C ATOM 0 H LEU A 13 13.013 -5.736 11.734 1.00 42.33 H new ATOM 0 HA LEU A 13 15.732 -5.809 12.204 1.00 61.32 H new ATOM 0 HB2 LEU A 13 14.074 -3.858 12.230 1.00 12.22 H new ATOM 0 HB3 LEU A 13 13.687 -4.321 13.876 1.00 12.22 H new ATOM 0 HG LEU A 13 16.203 -4.048 14.366 1.00 62.44 H new ATOM 0 HD11 LEU A 13 17.382 -2.475 12.886 1.00 32.05 H new ATOM 0 HD12 LEU A 13 16.973 -3.991 12.048 1.00 32.05 H new ATOM 0 HD13 LEU A 13 16.012 -2.523 11.751 1.00 32.05 H new ATOM 0 HD21 LEU A 13 15.940 -1.621 14.696 1.00 1.43 H new ATOM 0 HD22 LEU A 13 14.512 -1.636 13.634 1.00 1.43 H new ATOM 0 HD23 LEU A 13 14.479 -2.516 15.181 1.00 1.43 H new ATOM 157 N ASP A 14 13.982 -7.103 14.651 1.00 2.32 N ATOM 158 CA ASP A 14 14.073 -7.878 15.883 1.00 0.01 C ATOM 159 C ASP A 14 15.031 -9.054 15.716 1.00 53.22 C ATOM 160 O ASP A 14 16.006 -9.184 16.457 1.00 13.24 O ATOM 161 CB ASP A 14 12.690 -8.386 16.294 1.00 42.33 C ATOM 162 CG ASP A 14 12.477 -8.336 17.794 1.00 72.41 C ATOM 163 OD1 ASP A 14 12.037 -7.281 18.297 1.00 41.55 O ATOM 164 OD2 ASP A 14 12.751 -9.352 18.466 1.00 73.43 O ATOM 0 H ASP A 14 13.038 -7.019 14.275 1.00 2.32 H new ATOM 0 HA ASP A 14 14.460 -7.226 16.666 1.00 0.01 H new ATOM 0 HB2 ASP A 14 11.925 -7.786 15.801 1.00 42.33 H new ATOM 0 HB3 ASP A 14 12.565 -9.411 15.946 1.00 42.33 H new ATOM 169 N LYS A 15 14.746 -9.909 14.739 1.00 15.23 N ATOM 170 CA LYS A 15 15.583 -11.073 14.474 1.00 45.31 C ATOM 171 C LYS A 15 16.993 -10.651 14.075 1.00 50.33 C ATOM 172 O LYS A 15 17.977 -11.247 14.513 1.00 71.53 O ATOM 173 CB LYS A 15 14.962 -11.929 13.367 1.00 20.42 C ATOM 174 CG LYS A 15 15.862 -13.061 12.899 1.00 0.42 C ATOM 175 CD LYS A 15 15.071 -14.334 12.648 1.00 15.41 C ATOM 176 CE LYS A 15 15.434 -15.421 13.648 1.00 35.12 C ATOM 177 NZ LYS A 15 14.534 -15.405 14.835 1.00 13.13 N ATOM 0 H LYS A 15 13.942 -9.817 14.118 1.00 15.23 H new ATOM 0 HA LYS A 15 15.646 -11.661 15.389 1.00 45.31 H new ATOM 0 HB2 LYS A 15 14.022 -12.348 13.727 1.00 20.42 H new ATOM 0 HB3 LYS A 15 14.722 -11.291 12.517 1.00 20.42 H new ATOM 0 HG2 LYS A 15 16.376 -12.764 11.985 1.00 0.42 H new ATOM 0 HG3 LYS A 15 16.630 -13.250 13.649 1.00 0.42 H new ATOM 0 HD2 LYS A 15 14.004 -14.120 12.713 1.00 15.41 H new ATOM 0 HD3 LYS A 15 15.264 -14.690 11.636 1.00 15.41 H new ATOM 0 HE2 LYS A 15 15.377 -16.395 13.162 1.00 35.12 H new ATOM 0 HE3 LYS A 15 16.466 -15.286 13.973 1.00 35.12 H new ATOM 0 HZ1 LYS A 15 14.814 -16.160 15.493 1.00 13.13 H new ATOM 0 HZ2 LYS A 15 14.607 -14.484 15.313 1.00 13.13 H new ATOM 0 HZ3 LYS A 15 13.552 -15.559 14.528 1.00 13.13 H new ATOM 191 N TRP A 16 17.084 -9.620 13.243 1.00 2.23 N ATOM 192 CA TRP A 16 18.375 -9.119 12.787 1.00 12.51 C ATOM 193 C TRP A 16 19.260 -8.739 13.969 1.00 1.32 C ATOM 194 O TRP A 16 20.376 -9.239 14.104 1.00 20.24 O ATOM 195 CB TRP A 16 18.181 -7.909 11.871 1.00 45.23 C ATOM 196 CG TRP A 16 19.469 -7.297 11.413 1.00 3.12 C ATOM 197 CD1 TRP A 16 20.089 -6.200 11.939 1.00 53.35 C ATOM 198 CD2 TRP A 16 20.296 -7.747 10.333 1.00 75.02 C ATOM 199 NE1 TRP A 16 21.250 -5.940 11.252 1.00 52.35 N ATOM 200 CE2 TRP A 16 21.400 -6.875 10.264 1.00 65.20 C ATOM 201 CE3 TRP A 16 20.213 -8.802 9.421 1.00 51.34 C ATOM 202 CZ2 TRP A 16 22.410 -7.028 9.317 1.00 1.44 C ATOM 203 CZ3 TRP A 16 21.215 -8.952 8.482 1.00 51.43 C ATOM 204 CH2 TRP A 16 22.302 -8.069 8.435 1.00 60.23 C ATOM 0 H TRP A 16 16.280 -9.115 12.871 1.00 2.23 H new ATOM 0 HA TRP A 16 18.868 -9.914 12.228 1.00 12.51 H new ATOM 0 HB2 TRP A 16 17.601 -8.212 10.999 1.00 45.23 H new ATOM 0 HB3 TRP A 16 17.596 -7.155 12.397 1.00 45.23 H new ATOM 0 HD1 TRP A 16 19.721 -5.621 12.773 1.00 53.35 H new ATOM 0 HE1 TRP A 16 21.895 -5.174 11.447 1.00 52.35 H new ATOM 0 HE3 TRP A 16 19.380 -9.489 9.450 1.00 51.34 H new ATOM 0 HZ2 TRP A 16 23.249 -6.349 9.280 1.00 1.44 H new ATOM 0 HZ3 TRP A 16 21.160 -9.764 7.772 1.00 51.43 H new ATOM 0 HH2 TRP A 16 23.069 -8.213 7.689 1.00 60.23 H new ATOM 215 N GLU A 17 18.755 -7.853 14.821 1.00 41.21 N ATOM 216 CA GLU A 17 19.502 -7.407 15.991 1.00 43.32 C ATOM 217 C GLU A 17 19.890 -8.590 16.872 1.00 62.41 C ATOM 218 O GLU A 17 20.859 -8.525 17.630 1.00 44.53 O ATOM 219 CB GLU A 17 18.676 -6.405 16.800 1.00 2.44 C ATOM 220 CG GLU A 17 18.753 -4.983 16.267 1.00 73.01 C ATOM 221 CD GLU A 17 18.434 -3.946 17.326 1.00 32.22 C ATOM 222 OE1 GLU A 17 17.612 -4.241 18.218 1.00 51.15 O ATOM 223 OE2 GLU A 17 19.009 -2.839 17.263 1.00 60.10 O ATOM 0 H GLU A 17 17.832 -7.430 14.723 1.00 41.21 H new ATOM 0 HA GLU A 17 20.413 -6.920 15.644 1.00 43.32 H new ATOM 0 HB2 GLU A 17 17.634 -6.726 16.806 1.00 2.44 H new ATOM 0 HB3 GLU A 17 19.019 -6.416 17.835 1.00 2.44 H new ATOM 0 HG2 GLU A 17 19.753 -4.800 15.874 1.00 73.01 H new ATOM 0 HG3 GLU A 17 18.058 -4.873 15.435 1.00 73.01 H new ATOM 230 N LYS A 18 19.127 -9.673 16.767 1.00 72.53 N ATOM 231 CA LYS A 18 19.389 -10.873 17.553 1.00 23.30 C ATOM 232 C LYS A 18 20.558 -11.661 16.970 1.00 13.02 C ATOM 233 O LYS A 18 21.484 -12.038 17.689 1.00 73.52 O ATOM 234 CB LYS A 18 18.140 -11.757 17.604 1.00 20.21 C ATOM 235 CG LYS A 18 17.968 -12.492 18.923 1.00 1.44 C ATOM 236 CD LYS A 18 17.795 -13.987 18.710 1.00 54.30 C ATOM 237 CE LYS A 18 16.980 -14.617 19.828 1.00 70.31 C ATOM 238 NZ LYS A 18 15.682 -15.153 19.334 1.00 72.53 N ATOM 0 H LYS A 18 18.322 -9.744 16.145 1.00 72.53 H new ATOM 0 HA LYS A 18 19.650 -10.564 18.565 1.00 23.30 H new ATOM 0 HB2 LYS A 18 17.260 -11.139 17.425 1.00 20.21 H new ATOM 0 HB3 LYS A 18 18.188 -12.486 16.795 1.00 20.21 H new ATOM 0 HG2 LYS A 18 18.836 -12.312 19.557 1.00 1.44 H new ATOM 0 HG3 LYS A 18 17.100 -12.096 19.451 1.00 1.44 H new ATOM 0 HD2 LYS A 18 17.302 -14.165 17.754 1.00 54.30 H new ATOM 0 HD3 LYS A 18 18.774 -14.464 18.658 1.00 54.30 H new ATOM 0 HE2 LYS A 18 17.554 -15.422 20.287 1.00 70.31 H new ATOM 0 HE3 LYS A 18 16.795 -13.875 20.605 1.00 70.31 H new ATOM 0 HZ1 LYS A 18 15.156 -15.574 20.126 1.00 72.53 H new ATOM 0 HZ2 LYS A 18 15.123 -14.381 18.919 1.00 72.53 H new ATOM 0 HZ3 LYS A 18 15.859 -15.879 18.611 1.00 72.53 H new ATOM 252 N ILE A 19 20.509 -11.903 15.665 1.00 24.32 N ATOM 253 CA ILE A 19 21.567 -12.643 14.986 1.00 62.23 C ATOM 254 C ILE A 19 22.938 -12.055 15.300 1.00 62.33 C ATOM 255 O ILE A 19 23.103 -10.836 15.360 1.00 25.01 O ATOM 256 CB ILE A 19 21.359 -12.649 13.461 1.00 5.52 C ATOM 257 CG1 ILE A 19 20.005 -13.269 13.110 1.00 20.41 C ATOM 258 CG2 ILE A 19 22.487 -13.406 12.776 1.00 11.45 C ATOM 259 CD1 ILE A 19 19.243 -12.500 12.055 1.00 12.41 C ATOM 0 H ILE A 19 19.749 -11.598 15.056 1.00 24.32 H new ATOM 0 HA ILE A 19 21.522 -13.668 15.354 1.00 62.23 H new ATOM 0 HB ILE A 19 21.369 -11.619 13.104 1.00 5.52 H new ATOM 0 HG12 ILE A 19 20.162 -14.290 12.762 1.00 20.41 H new ATOM 0 HG13 ILE A 19 19.398 -13.330 14.013 1.00 20.41 H new ATOM 0 HG21 ILE A 19 22.326 -13.402 11.698 1.00 11.45 H new ATOM 0 HG22 ILE A 19 23.438 -12.925 13.003 1.00 11.45 H new ATOM 0 HG23 ILE A 19 22.506 -14.435 13.136 1.00 11.45 H new ATOM 0 HD11 ILE A 19 18.294 -12.997 11.857 1.00 12.41 H new ATOM 0 HD12 ILE A 19 19.055 -11.486 12.409 1.00 12.41 H new ATOM 0 HD13 ILE A 19 19.831 -12.461 11.138 1.00 12.41 H new ATOM 271 N ARG A 20 23.919 -12.929 15.497 1.00 14.12 N ATOM 272 CA ARG A 20 25.277 -12.495 15.804 1.00 23.13 C ATOM 273 C ARG A 20 26.219 -12.797 14.643 1.00 4.25 C ATOM 274 O ARG A 20 25.997 -13.734 13.875 1.00 31.53 O ATOM 275 CB ARG A 20 25.781 -13.184 17.074 1.00 41.32 C ATOM 276 CG ARG A 20 25.475 -14.672 17.122 1.00 22.43 C ATOM 277 CD ARG A 20 24.362 -14.981 18.111 1.00 34.33 C ATOM 278 NE ARG A 20 24.528 -16.294 18.730 1.00 3.00 N ATOM 279 CZ ARG A 20 23.695 -16.788 19.639 1.00 21.12 C ATOM 280 NH1 ARG A 20 22.645 -16.083 20.033 1.00 72.02 N ATOM 281 NH2 ARG A 20 23.913 -17.991 20.155 1.00 24.22 N ATOM 0 H ARG A 20 23.800 -13.941 15.450 1.00 14.12 H new ATOM 0 HA ARG A 20 25.259 -11.417 15.966 1.00 23.13 H new ATOM 0 HB2 ARG A 20 26.859 -13.041 17.152 1.00 41.32 H new ATOM 0 HB3 ARG A 20 25.332 -12.701 17.942 1.00 41.32 H new ATOM 0 HG2 ARG A 20 25.187 -15.017 16.129 1.00 22.43 H new ATOM 0 HG3 ARG A 20 26.374 -15.221 17.402 1.00 22.43 H new ATOM 0 HD2 ARG A 20 24.343 -14.215 18.886 1.00 34.33 H new ATOM 0 HD3 ARG A 20 23.401 -14.941 17.599 1.00 34.33 H new ATOM 0 HE ARG A 20 25.327 -16.862 18.449 1.00 3.00 H new ATOM 0 HH11 ARG A 20 22.474 -15.158 19.638 1.00 72.02 H new ATOM 0 HH12 ARG A 20 22.007 -16.465 20.731 1.00 72.02 H new ATOM 0 HH21 ARG A 20 24.720 -18.537 19.854 1.00 24.22 H new ATOM 0 HH22 ARG A 20 23.273 -18.370 20.853 1.00 24.22 H new ATOM 295 N LEU A 21 27.272 -11.995 14.518 1.00 63.10 N ATOM 296 CA LEU A 21 28.248 -12.175 13.449 1.00 24.05 C ATOM 297 C LEU A 21 29.024 -13.475 13.633 1.00 44.11 C ATOM 298 O LEU A 21 29.134 -14.280 12.707 1.00 1.21 O ATOM 299 CB LEU A 21 29.217 -10.991 13.411 1.00 74.45 C ATOM 300 CG LEU A 21 28.579 -9.602 13.420 1.00 2.31 C ATOM 301 CD1 LEU A 21 29.516 -8.588 14.058 1.00 42.52 C ATOM 302 CD2 LEU A 21 28.211 -9.175 12.006 1.00 63.40 C ATOM 0 H LEU A 21 27.471 -11.214 15.144 1.00 63.10 H new ATOM 0 HA LEU A 21 27.708 -12.226 12.503 1.00 24.05 H new ATOM 0 HB2 LEU A 21 29.886 -11.067 14.268 1.00 74.45 H new ATOM 0 HB3 LEU A 21 29.833 -11.080 12.516 1.00 74.45 H new ATOM 0 HG LEU A 21 27.666 -9.646 14.014 1.00 2.31 H new ATOM 0 HD11 LEU A 21 29.045 -7.605 14.055 1.00 42.52 H new ATOM 0 HD12 LEU A 21 29.729 -8.885 15.085 1.00 42.52 H new ATOM 0 HD13 LEU A 21 30.446 -8.546 13.492 1.00 42.52 H new ATOM 0 HD21 LEU A 21 27.758 -8.184 12.031 1.00 63.40 H new ATOM 0 HD22 LEU A 21 29.109 -9.148 11.389 1.00 63.40 H new ATOM 0 HD23 LEU A 21 27.502 -9.887 11.584 1.00 63.40 H new ATOM 314 N ARG A 22 29.557 -13.676 14.833 1.00 14.51 N ATOM 315 CA ARG A 22 30.321 -14.880 15.139 1.00 55.40 C ATOM 316 C ARG A 22 29.475 -15.876 15.925 1.00 50.45 C ATOM 317 O ARG A 22 28.468 -15.523 16.541 1.00 5.41 O ATOM 318 CB ARG A 22 31.578 -14.522 15.934 1.00 44.01 C ATOM 319 CG ARG A 22 32.860 -14.621 15.123 1.00 12.34 C ATOM 320 CD ARG A 22 34.061 -14.910 16.010 1.00 72.25 C ATOM 321 NE ARG A 22 35.317 -14.844 15.270 1.00 11.20 N ATOM 322 CZ ARG A 22 36.473 -15.300 15.741 1.00 2.40 C ATOM 323 NH1 ARG A 22 36.529 -15.853 16.945 1.00 32.05 N ATOM 324 NH2 ARG A 22 37.574 -15.204 15.007 1.00 50.33 N ATOM 0 H ARG A 22 29.474 -13.021 15.610 1.00 14.51 H new ATOM 0 HA ARG A 22 30.614 -15.344 14.197 1.00 55.40 H new ATOM 0 HB2 ARG A 22 31.478 -13.507 16.318 1.00 44.01 H new ATOM 0 HB3 ARG A 22 31.652 -15.183 16.797 1.00 44.01 H new ATOM 0 HG2 ARG A 22 32.760 -15.409 14.377 1.00 12.34 H new ATOM 0 HG3 ARG A 22 33.022 -13.689 14.582 1.00 12.34 H new ATOM 0 HD2 ARG A 22 34.086 -14.193 16.831 1.00 72.25 H new ATOM 0 HD3 ARG A 22 33.954 -15.900 16.454 1.00 72.25 H new ATOM 0 HE ARG A 22 35.307 -14.425 14.340 1.00 11.20 H new ATOM 0 HH11 ARG A 22 35.684 -15.929 17.511 1.00 32.05 H new ATOM 0 HH12 ARG A 22 37.417 -16.202 17.305 1.00 32.05 H new ATOM 0 HH21 ARG A 22 37.534 -14.780 14.080 1.00 50.33 H new ATOM 0 HH22 ARG A 22 38.461 -15.554 15.369 1.00 50.33 H new ATOM 338 N PRO A 23 29.890 -17.150 15.906 1.00 63.42 N ATOM 339 CA PRO A 23 29.185 -18.225 16.612 1.00 41.42 C ATOM 340 C PRO A 23 29.312 -18.104 18.126 1.00 54.04 C ATOM 341 O PRO A 23 28.395 -18.459 18.867 1.00 14.55 O ATOM 342 CB PRO A 23 29.882 -19.493 16.116 1.00 3.40 C ATOM 343 CG PRO A 23 31.244 -19.043 15.713 1.00 65.42 C ATOM 344 CD PRO A 23 31.081 -17.643 15.193 1.00 13.43 C ATOM 0 HA PRO A 23 28.113 -18.208 16.415 1.00 41.42 H new ATOM 0 HB2 PRO A 23 29.931 -20.250 16.899 1.00 3.40 H new ATOM 0 HB3 PRO A 23 29.347 -19.936 15.276 1.00 3.40 H new ATOM 0 HG2 PRO A 23 31.929 -19.067 16.560 1.00 65.42 H new ATOM 0 HG3 PRO A 23 31.660 -19.698 14.947 1.00 65.42 H new ATOM 0 HD2 PRO A 23 31.958 -17.031 15.405 1.00 13.43 H new ATOM 0 HD3 PRO A 23 30.937 -17.630 14.113 1.00 13.43 H new ATOM 352 N GLY A 24 30.455 -17.599 18.581 1.00 22.35 N ATOM 353 CA GLY A 24 30.681 -17.441 20.006 1.00 52.42 C ATOM 354 C GLY A 24 31.257 -16.082 20.354 1.00 20.44 C ATOM 355 O GLY A 24 32.264 -15.988 21.055 1.00 65.52 O ATOM 0 H GLY A 24 31.228 -17.297 17.988 1.00 22.35 H new ATOM 0 HA2 GLY A 24 29.740 -17.580 20.538 1.00 52.42 H new ATOM 0 HA3 GLY A 24 31.361 -18.220 20.352 1.00 52.42 H new ATOM 359 N GLY A 25 30.618 -15.026 19.861 1.00 32.11 N ATOM 360 CA GLY A 25 31.089 -13.681 20.133 1.00 72.15 C ATOM 361 C GLY A 25 30.132 -12.897 21.009 1.00 71.33 C ATOM 362 O GLY A 25 29.198 -13.461 21.581 1.00 61.45 O ATOM 0 H GLY A 25 29.783 -15.078 19.278 1.00 32.11 H new ATOM 0 HA2 GLY A 25 32.063 -13.732 20.620 1.00 72.15 H new ATOM 0 HA3 GLY A 25 31.231 -13.152 19.191 1.00 72.15 H new ATOM 366 N LYS A 26 30.364 -11.594 21.119 1.00 11.23 N ATOM 367 CA LYS A 26 29.516 -10.731 21.933 1.00 35.34 C ATOM 368 C LYS A 26 29.114 -9.478 21.162 1.00 1.05 C ATOM 369 O LYS A 26 28.838 -8.434 21.752 1.00 51.10 O ATOM 370 CB LYS A 26 30.241 -10.338 23.223 1.00 4.02 C ATOM 371 CG LYS A 26 30.463 -11.501 24.175 1.00 4.31 C ATOM 372 CD LYS A 26 31.941 -11.721 24.452 1.00 62.00 C ATOM 373 CE LYS A 26 32.516 -10.610 25.316 1.00 72.30 C ATOM 374 NZ LYS A 26 33.151 -11.143 26.554 1.00 53.42 N ATOM 0 H LYS A 26 31.133 -11.112 20.654 1.00 11.23 H new ATOM 0 HA LYS A 26 28.613 -11.286 22.185 1.00 35.34 H new ATOM 0 HB2 LYS A 26 31.206 -9.899 22.968 1.00 4.02 H new ATOM 0 HB3 LYS A 26 29.664 -9.567 23.733 1.00 4.02 H new ATOM 0 HG2 LYS A 26 29.941 -11.310 25.112 1.00 4.31 H new ATOM 0 HG3 LYS A 26 30.033 -12.408 23.750 1.00 4.31 H new ATOM 0 HD2 LYS A 26 32.080 -12.680 24.950 1.00 62.00 H new ATOM 0 HD3 LYS A 26 32.486 -11.770 23.509 1.00 62.00 H new ATOM 0 HE2 LYS A 26 33.253 -10.048 24.742 1.00 72.30 H new ATOM 0 HE3 LYS A 26 31.723 -9.912 25.586 1.00 72.30 H new ATOM 0 HZ1 LYS A 26 33.531 -10.355 27.116 1.00 53.42 H new ATOM 0 HZ2 LYS A 26 32.442 -11.657 27.114 1.00 53.42 H new ATOM 0 HZ3 LYS A 26 33.924 -11.789 26.297 1.00 53.42 H new ATOM 388 N LYS A 27 29.084 -9.589 19.837 1.00 72.31 N ATOM 389 CA LYS A 27 28.714 -8.466 18.984 1.00 52.14 C ATOM 390 C LYS A 27 27.597 -8.859 18.022 1.00 73.25 C ATOM 391 O LYS A 27 27.854 -9.389 16.942 1.00 72.40 O ATOM 392 CB LYS A 27 29.930 -7.975 18.196 1.00 22.35 C ATOM 393 CG LYS A 27 29.749 -6.591 17.599 1.00 5.43 C ATOM 394 CD LYS A 27 31.086 -5.950 17.262 1.00 53.31 C ATOM 395 CE LYS A 27 31.018 -5.170 15.958 1.00 52.13 C ATOM 396 NZ LYS A 27 32.152 -4.215 15.823 1.00 33.34 N ATOM 0 H LYS A 27 29.312 -10.445 19.332 1.00 72.31 H new ATOM 0 HA LYS A 27 28.353 -7.660 19.623 1.00 52.14 H new ATOM 0 HB2 LYS A 27 30.799 -7.967 18.853 1.00 22.35 H new ATOM 0 HB3 LYS A 27 30.143 -8.682 17.394 1.00 22.35 H new ATOM 0 HG2 LYS A 27 29.140 -6.659 16.698 1.00 5.43 H new ATOM 0 HG3 LYS A 27 29.208 -5.958 18.302 1.00 5.43 H new ATOM 0 HD2 LYS A 27 31.385 -5.283 18.071 1.00 53.31 H new ATOM 0 HD3 LYS A 27 31.852 -6.722 17.186 1.00 53.31 H new ATOM 0 HE2 LYS A 27 31.027 -5.865 15.118 1.00 52.13 H new ATOM 0 HE3 LYS A 27 30.076 -4.624 15.910 1.00 52.13 H new ATOM 0 HZ1 LYS A 27 32.069 -3.703 14.921 1.00 33.34 H new ATOM 0 HZ2 LYS A 27 32.129 -3.536 16.610 1.00 33.34 H new ATOM 0 HZ3 LYS A 27 33.051 -4.738 15.843 1.00 33.34 H new ATOM 410 N GLN A 28 26.357 -8.594 18.423 1.00 21.21 N ATOM 411 CA GLN A 28 25.202 -8.921 17.595 1.00 71.00 C ATOM 412 C GLN A 28 25.193 -8.085 16.319 1.00 32.13 C ATOM 413 O GLN A 28 26.112 -7.304 16.070 1.00 31.35 O ATOM 414 CB GLN A 28 23.908 -8.693 18.377 1.00 13.51 C ATOM 415 CG GLN A 28 23.933 -9.278 19.780 1.00 61.23 C ATOM 416 CD GLN A 28 24.263 -8.243 20.838 1.00 3.40 C ATOM 417 OE1 GLN A 28 25.016 -7.302 20.588 1.00 34.22 O ATOM 418 NE2 GLN A 28 23.698 -8.412 22.027 1.00 72.54 N ATOM 0 H GLN A 28 26.127 -8.155 19.314 1.00 21.21 H new ATOM 0 HA GLN A 28 25.271 -9.973 17.318 1.00 71.00 H new ATOM 0 HB2 GLN A 28 23.717 -7.622 18.442 1.00 13.51 H new ATOM 0 HB3 GLN A 28 23.077 -9.132 17.824 1.00 13.51 H new ATOM 0 HG2 GLN A 28 22.963 -9.722 20.002 1.00 61.23 H new ATOM 0 HG3 GLN A 28 24.668 -10.082 19.821 1.00 61.23 H new ATOM 0 HE21 GLN A 28 23.080 -9.207 22.190 1.00 72.54 H new ATOM 0 HE22 GLN A 28 23.882 -7.747 22.778 1.00 72.54 H new ATOM 427 N TYR A 29 24.150 -8.254 15.515 1.00 23.13 N ATOM 428 CA TYR A 29 24.023 -7.518 14.263 1.00 54.30 C ATOM 429 C TYR A 29 23.338 -6.173 14.489 1.00 45.33 C ATOM 430 O TYR A 29 22.503 -6.030 15.383 1.00 24.02 O ATOM 431 CB TYR A 29 23.235 -8.338 13.242 1.00 5.53 C ATOM 432 CG TYR A 29 24.109 -9.064 12.243 1.00 52.40 C ATOM 433 CD1 TYR A 29 24.646 -8.398 11.148 1.00 30.14 C ATOM 434 CD2 TYR A 29 24.396 -10.414 12.394 1.00 5.11 C ATOM 435 CE1 TYR A 29 25.445 -9.056 10.233 1.00 35.31 C ATOM 436 CE2 TYR A 29 25.195 -11.080 11.485 1.00 61.33 C ATOM 437 CZ TYR A 29 25.718 -10.397 10.406 1.00 63.35 C ATOM 438 OH TYR A 29 26.512 -11.058 9.498 1.00 0.45 O ATOM 0 H TYR A 29 23.380 -8.894 15.708 1.00 23.13 H new ATOM 0 HA TYR A 29 25.025 -7.335 13.876 1.00 54.30 H new ATOM 0 HB2 TYR A 29 22.620 -9.066 13.770 1.00 5.53 H new ATOM 0 HB3 TYR A 29 22.555 -7.677 12.704 1.00 5.53 H new ATOM 0 HD1 TYR A 29 24.435 -7.348 11.010 1.00 30.14 H new ATOM 0 HD2 TYR A 29 23.988 -10.953 13.236 1.00 5.11 H new ATOM 0 HE1 TYR A 29 25.854 -8.523 9.387 1.00 35.31 H new ATOM 0 HE2 TYR A 29 25.409 -12.130 11.618 1.00 61.33 H new ATOM 0 HH TYR A 29 26.991 -11.784 9.950 1.00 0.45 H new ATOM 448 N LYS A 30 23.696 -5.189 13.672 1.00 41.31 N ATOM 449 CA LYS A 30 23.117 -3.855 13.778 1.00 12.10 C ATOM 450 C LYS A 30 22.947 -3.224 12.400 1.00 55.41 C ATOM 451 O LYS A 30 23.496 -3.711 11.410 1.00 70.34 O ATOM 452 CB LYS A 30 23.997 -2.962 14.655 1.00 31.51 C ATOM 453 CG LYS A 30 23.437 -2.735 16.048 1.00 72.52 C ATOM 454 CD LYS A 30 23.989 -1.464 16.670 1.00 75.15 C ATOM 455 CE LYS A 30 23.165 -0.248 16.276 1.00 14.33 C ATOM 456 NZ LYS A 30 23.659 0.994 16.934 1.00 0.40 N ATOM 0 H LYS A 30 24.386 -5.290 12.928 1.00 41.31 H new ATOM 0 HA LYS A 30 22.134 -3.949 14.238 1.00 12.10 H new ATOM 0 HB2 LYS A 30 24.986 -3.412 14.739 1.00 31.51 H new ATOM 0 HB3 LYS A 30 24.126 -1.998 14.163 1.00 31.51 H new ATOM 0 HG2 LYS A 30 22.350 -2.675 15.999 1.00 72.52 H new ATOM 0 HG3 LYS A 30 23.681 -3.587 16.682 1.00 72.52 H new ATOM 0 HD2 LYS A 30 23.998 -1.563 17.755 1.00 75.15 H new ATOM 0 HD3 LYS A 30 25.023 -1.322 16.354 1.00 75.15 H new ATOM 0 HE2 LYS A 30 23.197 -0.123 15.194 1.00 14.33 H new ATOM 0 HE3 LYS A 30 22.122 -0.413 16.547 1.00 14.33 H new ATOM 0 HZ1 LYS A 30 23.071 1.800 16.640 1.00 0.40 H new ATOM 0 HZ2 LYS A 30 23.605 0.885 17.967 1.00 0.40 H new ATOM 0 HZ3 LYS A 30 24.646 1.165 16.655 1.00 0.40 H new ATOM 470 N LEU A 31 22.186 -2.136 12.342 1.00 40.13 N ATOM 471 CA LEU A 31 21.945 -1.436 11.086 1.00 5.05 C ATOM 472 C LEU A 31 23.260 -1.083 10.398 1.00 33.11 C ATOM 473 O LEU A 31 23.340 -1.038 9.170 1.00 32.31 O ATOM 474 CB LEU A 31 21.129 -0.168 11.333 1.00 15.23 C ATOM 475 CG LEU A 31 19.954 0.071 10.384 1.00 75.13 C ATOM 476 CD1 LEU A 31 18.725 -0.694 10.854 1.00 25.23 C ATOM 477 CD2 LEU A 31 19.648 1.558 10.277 1.00 21.15 C ATOM 0 H LEU A 31 21.725 -1.720 13.151 1.00 40.13 H new ATOM 0 HA LEU A 31 21.381 -2.101 10.432 1.00 5.05 H new ATOM 0 HB2 LEU A 31 20.745 -0.200 12.353 1.00 15.23 H new ATOM 0 HB3 LEU A 31 21.800 0.689 11.271 1.00 15.23 H new ATOM 0 HG LEU A 31 20.230 -0.295 9.395 1.00 75.13 H new ATOM 0 HD11 LEU A 31 17.899 -0.512 10.167 1.00 25.23 H new ATOM 0 HD12 LEU A 31 18.948 -1.761 10.879 1.00 25.23 H new ATOM 0 HD13 LEU A 31 18.447 -0.358 11.853 1.00 25.23 H new ATOM 0 HD21 LEU A 31 18.809 1.709 9.598 1.00 21.15 H new ATOM 0 HD22 LEU A 31 19.392 1.949 11.262 1.00 21.15 H new ATOM 0 HD23 LEU A 31 20.523 2.083 9.895 1.00 21.15 H new ATOM 489 N LYS A 32 24.292 -0.835 11.199 1.00 51.25 N ATOM 490 CA LYS A 32 25.606 -0.489 10.669 1.00 74.24 C ATOM 491 C LYS A 32 26.058 -1.507 9.628 1.00 11.40 C ATOM 492 O LYS A 32 26.682 -1.150 8.628 1.00 5.11 O ATOM 493 CB LYS A 32 26.631 -0.413 11.803 1.00 71.32 C ATOM 494 CG LYS A 32 26.885 0.999 12.301 1.00 13.53 C ATOM 495 CD LYS A 32 27.881 1.015 13.449 1.00 55.55 C ATOM 496 CE LYS A 32 28.140 2.431 13.942 1.00 51.35 C ATOM 497 NZ LYS A 32 28.223 2.494 15.427 1.00 55.21 N ATOM 0 H LYS A 32 24.243 -0.867 12.217 1.00 51.25 H new ATOM 0 HA LYS A 32 25.532 0.486 10.188 1.00 74.24 H new ATOM 0 HB2 LYS A 32 26.285 -1.026 12.635 1.00 71.32 H new ATOM 0 HB3 LYS A 32 27.572 -0.843 11.460 1.00 71.32 H new ATOM 0 HG2 LYS A 32 27.262 1.612 11.482 1.00 13.53 H new ATOM 0 HG3 LYS A 32 25.946 1.445 12.627 1.00 13.53 H new ATOM 0 HD2 LYS A 32 27.502 0.406 14.270 1.00 55.55 H new ATOM 0 HD3 LYS A 32 28.819 0.564 13.125 1.00 55.55 H new ATOM 0 HE2 LYS A 32 29.070 2.802 13.510 1.00 51.35 H new ATOM 0 HE3 LYS A 32 27.343 3.088 13.595 1.00 51.35 H new ATOM 0 HZ1 LYS A 32 28.400 3.475 15.723 1.00 55.21 H new ATOM 0 HZ2 LYS A 32 27.327 2.164 15.839 1.00 55.21 H new ATOM 0 HZ3 LYS A 32 29.000 1.887 15.757 1.00 55.21 H new ATOM 511 N HIS A 33 25.738 -2.774 9.868 1.00 32.53 N ATOM 512 CA HIS A 33 26.111 -3.845 8.949 1.00 54.50 C ATOM 513 C HIS A 33 25.209 -3.840 7.718 1.00 10.30 C ATOM 514 O HIS A 33 25.723 -4.140 6.640 1.00 44.21 O ATOM 515 CB HIS A 33 26.027 -5.201 9.650 1.00 34.04 C ATOM 516 CG HIS A 33 26.669 -5.215 11.003 1.00 60.52 C ATOM 517 ND1 HIS A 33 26.104 -5.833 12.099 1.00 50.21 N ATOM 518 CD2 HIS A 33 27.836 -4.684 11.435 1.00 32.35 C ATOM 519 CE1 HIS A 33 26.895 -5.679 13.145 1.00 21.51 C ATOM 520 NE2 HIS A 33 27.954 -4.986 12.769 1.00 62.43 N ATOM 0 H HIS A 33 25.221 -3.085 10.691 1.00 32.53 H new ATOM 0 HA HIS A 33 27.139 -3.674 8.628 1.00 54.50 H new ATOM 0 HB2 HIS A 33 24.979 -5.485 9.751 1.00 34.04 H new ATOM 0 HB3 HIS A 33 26.503 -5.955 9.023 1.00 34.04 H new ATOM 0 HD2 HIS A 33 28.544 -4.126 10.840 1.00 32.35 H new ATOM 0 HE1 HIS A 33 26.707 -6.056 14.140 1.00 21.51 H new ATOM 0 HE2 HIS A 33 28.733 -4.719 13.371 1.00 62.43 H new ATOM 528 N ILE A 34 23.926 -3.519 7.843 1.00 54.00 N ATOM 529 CA ILE A 34 23.028 -3.500 6.696 1.00 50.43 C ATOM 530 C ILE A 34 23.421 -2.408 5.707 1.00 75.32 C ATOM 531 O ILE A 34 23.323 -2.588 4.494 1.00 71.22 O ATOM 532 CB ILE A 34 21.565 -3.282 7.129 1.00 31.02 C ATOM 533 CG1 ILE A 34 21.176 -4.290 8.212 1.00 3.21 C ATOM 534 CG2 ILE A 34 20.636 -3.397 5.930 1.00 74.14 C ATOM 535 CD1 ILE A 34 19.806 -4.041 8.806 1.00 13.45 C ATOM 0 H ILE A 34 23.485 -3.268 8.728 1.00 54.00 H new ATOM 0 HA ILE A 34 23.115 -4.473 6.212 1.00 50.43 H new ATOM 0 HB ILE A 34 21.468 -2.278 7.543 1.00 31.02 H new ATOM 0 HG12 ILE A 34 21.203 -5.294 7.789 1.00 3.21 H new ATOM 0 HG13 ILE A 34 21.919 -4.260 9.009 1.00 3.21 H new ATOM 0 HG21 ILE A 34 19.606 -3.241 6.251 1.00 74.14 H new ATOM 0 HG22 ILE A 34 20.903 -2.644 5.189 1.00 74.14 H new ATOM 0 HG23 ILE A 34 20.732 -4.389 5.489 1.00 74.14 H new ATOM 0 HD11 ILE A 34 19.597 -4.793 9.567 1.00 13.45 H new ATOM 0 HD12 ILE A 34 19.781 -3.050 9.259 1.00 13.45 H new ATOM 0 HD13 ILE A 34 19.053 -4.100 8.020 1.00 13.45 H new ATOM 547 N VAL A 35 23.870 -1.273 6.236 1.00 42.51 N ATOM 548 CA VAL A 35 24.282 -0.152 5.400 1.00 2.20 C ATOM 549 C VAL A 35 25.704 -0.344 4.885 1.00 11.14 C ATOM 550 O VAL A 35 26.015 0.006 3.746 1.00 62.12 O ATOM 551 CB VAL A 35 24.203 1.180 6.170 1.00 1.43 C ATOM 552 CG1 VAL A 35 24.671 2.331 5.293 1.00 14.41 C ATOM 553 CG2 VAL A 35 22.787 1.423 6.670 1.00 24.40 C ATOM 0 H VAL A 35 23.957 -1.106 7.239 1.00 42.51 H new ATOM 0 HA VAL A 35 23.594 -0.117 4.555 1.00 2.20 H new ATOM 0 HB VAL A 35 24.864 1.120 7.035 1.00 1.43 H new ATOM 0 HG11 VAL A 35 24.608 3.264 5.853 1.00 14.41 H new ATOM 0 HG12 VAL A 35 25.703 2.160 4.988 1.00 14.41 H new ATOM 0 HG13 VAL A 35 24.037 2.396 4.409 1.00 14.41 H new ATOM 0 HG21 VAL A 35 22.750 2.368 7.212 1.00 24.40 H new ATOM 0 HG22 VAL A 35 22.104 1.463 5.822 1.00 24.40 H new ATOM 0 HG23 VAL A 35 22.492 0.612 7.335 1.00 24.40 H new ATOM 563 N TRP A 36 26.563 -0.902 5.730 1.00 25.13 N ATOM 564 CA TRP A 36 27.954 -1.142 5.359 1.00 63.13 C ATOM 565 C TRP A 36 28.042 -2.010 4.109 1.00 70.12 C ATOM 566 O TRP A 36 28.976 -1.883 3.318 1.00 42.23 O ATOM 567 CB TRP A 36 28.702 -1.811 6.513 1.00 15.43 C ATOM 568 CG TRP A 36 30.089 -2.246 6.148 1.00 31.01 C ATOM 569 CD1 TRP A 36 31.255 -1.591 6.428 1.00 2.20 C ATOM 570 CD2 TRP A 36 30.455 -3.432 5.434 1.00 1.13 C ATOM 571 NE1 TRP A 36 32.323 -2.298 5.931 1.00 64.23 N ATOM 572 CE2 TRP A 36 31.859 -3.432 5.318 1.00 11.34 C ATOM 573 CE3 TRP A 36 29.734 -4.495 4.884 1.00 2.50 C ATOM 574 CZ2 TRP A 36 32.552 -4.452 4.672 1.00 42.20 C ATOM 575 CZ3 TRP A 36 30.423 -5.506 4.243 1.00 23.41 C ATOM 576 CH2 TRP A 36 31.820 -5.480 4.142 1.00 25.40 C ATOM 0 H TRP A 36 26.322 -1.197 6.676 1.00 25.13 H new ATOM 0 HA TRP A 36 28.418 -0.180 5.143 1.00 63.13 H new ATOM 0 HB2 TRP A 36 28.755 -1.118 7.353 1.00 15.43 H new ATOM 0 HB3 TRP A 36 28.134 -2.678 6.851 1.00 15.43 H new ATOM 0 HD1 TRP A 36 31.327 -0.655 6.962 1.00 2.20 H new ATOM 0 HE1 TRP A 36 33.302 -2.023 6.006 1.00 64.23 H new ATOM 0 HE3 TRP A 36 28.657 -4.526 4.959 1.00 2.50 H new ATOM 0 HZ2 TRP A 36 33.629 -4.433 4.592 1.00 42.20 H new ATOM 0 HZ3 TRP A 36 29.875 -6.331 3.812 1.00 23.41 H new ATOM 0 HH2 TRP A 36 32.329 -6.287 3.636 1.00 25.40 H new ATOM 587 N ALA A 37 27.063 -2.893 3.937 1.00 3.12 N ATOM 588 CA ALA A 37 27.030 -3.781 2.782 1.00 2.23 C ATOM 589 C ALA A 37 26.358 -3.107 1.590 1.00 23.31 C ATOM 590 O ALA A 37 26.841 -3.195 0.461 1.00 74.15 O ATOM 591 CB ALA A 37 26.312 -5.076 3.131 1.00 22.40 C ATOM 0 H ALA A 37 26.283 -3.012 4.583 1.00 3.12 H new ATOM 0 HA ALA A 37 28.058 -4.012 2.504 1.00 2.23 H new ATOM 0 HB1 ALA A 37 26.295 -5.729 2.259 1.00 22.40 H new ATOM 0 HB2 ALA A 37 26.836 -5.574 3.947 1.00 22.40 H new ATOM 0 HB3 ALA A 37 25.290 -4.854 3.438 1.00 22.40 H new ATOM 597 N SER A 38 25.241 -2.435 1.849 1.00 40.12 N ATOM 598 CA SER A 38 24.499 -1.750 0.797 1.00 10.42 C ATOM 599 C SER A 38 25.398 -0.768 0.050 1.00 71.21 C ATOM 600 O SER A 38 25.464 -0.782 -1.179 1.00 52.43 O ATOM 601 CB SER A 38 23.298 -1.010 1.389 1.00 60.02 C ATOM 602 OG SER A 38 23.716 0.028 2.259 1.00 52.01 O ATOM 0 H SER A 38 24.830 -2.350 2.779 1.00 40.12 H new ATOM 0 HA SER A 38 24.142 -2.500 0.091 1.00 10.42 H new ATOM 0 HB2 SER A 38 22.692 -0.593 0.585 1.00 60.02 H new ATOM 0 HB3 SER A 38 22.666 -1.712 1.933 1.00 60.02 H new ATOM 0 HG SER A 38 24.535 -0.244 2.724 1.00 52.01 H new ATOM 608 N ARG A 39 26.088 0.082 0.803 1.00 32.11 N ATOM 609 CA ARG A 39 26.982 1.071 0.214 1.00 12.33 C ATOM 610 C ARG A 39 28.036 0.400 -0.661 1.00 3.02 C ATOM 611 O ARG A 39 28.553 1.004 -1.600 1.00 22.22 O ATOM 612 CB ARG A 39 27.663 1.892 1.311 1.00 33.45 C ATOM 613 CG ARG A 39 26.926 3.175 1.659 1.00 3.31 C ATOM 614 CD ARG A 39 27.575 4.385 1.007 1.00 51.12 C ATOM 615 NE ARG A 39 26.584 5.318 0.477 1.00 3.42 N ATOM 616 CZ ARG A 39 25.860 6.132 1.236 1.00 61.42 C ATOM 617 NH1 ARG A 39 26.014 6.127 2.553 1.00 20.14 N ATOM 618 NH2 ARG A 39 24.979 6.952 0.679 1.00 54.34 N ATOM 0 H ARG A 39 26.045 0.106 1.822 1.00 32.11 H new ATOM 0 HA ARG A 39 26.385 1.735 -0.411 1.00 12.33 H new ATOM 0 HB2 ARG A 39 27.753 1.280 2.208 1.00 33.45 H new ATOM 0 HB3 ARG A 39 28.675 2.140 0.992 1.00 33.45 H new ATOM 0 HG2 ARG A 39 25.888 3.099 1.335 1.00 3.31 H new ATOM 0 HG3 ARG A 39 26.913 3.306 2.741 1.00 3.31 H new ATOM 0 HD2 ARG A 39 28.202 4.898 1.737 1.00 51.12 H new ATOM 0 HD3 ARG A 39 28.230 4.055 0.201 1.00 51.12 H new ATOM 0 HE ARG A 39 26.440 5.346 -0.532 1.00 3.42 H new ATOM 0 HH11 ARG A 39 26.690 5.497 2.985 1.00 20.14 H new ATOM 0 HH12 ARG A 39 25.457 6.753 3.134 1.00 20.14 H new ATOM 0 HH21 ARG A 39 24.857 6.958 -0.334 1.00 54.34 H new ATOM 0 HH22 ARG A 39 24.423 7.577 1.263 1.00 54.34 H new ATOM 632 N GLU A 40 28.348 -0.853 -0.346 1.00 24.12 N ATOM 633 CA GLU A 40 29.341 -1.607 -1.103 1.00 3.31 C ATOM 634 C GLU A 40 28.715 -2.240 -2.342 1.00 4.40 C ATOM 635 O GLU A 40 29.388 -2.457 -3.351 1.00 12.43 O ATOM 636 CB GLU A 40 29.970 -2.690 -0.226 1.00 62.35 C ATOM 637 CG GLU A 40 31.373 -3.085 -0.657 1.00 3.12 C ATOM 638 CD GLU A 40 32.435 -2.626 0.324 1.00 40.50 C ATOM 639 OE1 GLU A 40 32.400 -3.077 1.487 1.00 33.42 O ATOM 640 OE2 GLU A 40 33.299 -1.817 -0.072 1.00 43.21 O ATOM 0 H GLU A 40 27.928 -1.368 0.428 1.00 24.12 H new ATOM 0 HA GLU A 40 30.118 -0.914 -1.424 1.00 3.31 H new ATOM 0 HB2 GLU A 40 30.002 -2.338 0.805 1.00 62.35 H new ATOM 0 HB3 GLU A 40 29.332 -3.574 -0.241 1.00 62.35 H new ATOM 0 HG2 GLU A 40 31.425 -4.169 -0.763 1.00 3.12 H new ATOM 0 HG3 GLU A 40 31.581 -2.659 -1.638 1.00 3.12 H new ATOM 647 N LEU A 41 27.422 -2.535 -2.260 1.00 33.33 N ATOM 648 CA LEU A 41 26.703 -3.144 -3.373 1.00 11.05 C ATOM 649 C LEU A 41 26.635 -2.192 -4.563 1.00 42.21 C ATOM 650 O LEU A 41 26.938 -2.574 -5.693 1.00 51.25 O ATOM 651 CB LEU A 41 25.291 -3.539 -2.940 1.00 52.03 C ATOM 652 CG LEU A 41 25.104 -4.992 -2.501 1.00 33.41 C ATOM 653 CD1 LEU A 41 23.672 -5.234 -2.050 1.00 43.51 C ATOM 654 CD2 LEU A 41 25.477 -5.941 -3.630 1.00 23.41 C ATOM 0 H LEU A 41 26.850 -2.362 -1.433 1.00 33.33 H new ATOM 0 HA LEU A 41 27.246 -4.039 -3.677 1.00 11.05 H new ATOM 0 HB2 LEU A 41 24.990 -2.891 -2.117 1.00 52.03 H new ATOM 0 HB3 LEU A 41 24.610 -3.340 -3.768 1.00 52.03 H new ATOM 0 HG LEU A 41 25.766 -5.185 -1.657 1.00 33.41 H new ATOM 0 HD11 LEU A 41 23.558 -6.273 -1.741 1.00 43.51 H new ATOM 0 HD12 LEU A 41 23.439 -4.579 -1.211 1.00 43.51 H new ATOM 0 HD13 LEU A 41 22.990 -5.024 -2.874 1.00 43.51 H new ATOM 0 HD21 LEU A 41 25.338 -6.971 -3.301 1.00 23.41 H new ATOM 0 HD22 LEU A 41 24.841 -5.747 -4.493 1.00 23.41 H new ATOM 0 HD23 LEU A 41 26.520 -5.786 -3.906 1.00 23.41 H new ATOM 666 N GLU A 42 26.238 -0.952 -4.300 1.00 51.33 N ATOM 667 CA GLU A 42 26.131 0.055 -5.349 1.00 1.14 C ATOM 668 C GLU A 42 27.457 0.214 -6.087 1.00 22.34 C ATOM 669 O GLU A 42 27.489 0.623 -7.248 1.00 51.20 O ATOM 670 CB GLU A 42 25.701 1.399 -4.757 1.00 74.43 C ATOM 671 CG GLU A 42 24.319 1.847 -5.202 1.00 61.43 C ATOM 672 CD GLU A 42 24.367 3.017 -6.165 1.00 32.32 C ATOM 673 OE1 GLU A 42 24.621 2.787 -7.366 1.00 60.01 O ATOM 674 OE2 GLU A 42 24.152 4.163 -5.718 1.00 70.24 O ATOM 0 H GLU A 42 25.985 -0.620 -3.369 1.00 51.33 H new ATOM 0 HA GLU A 42 25.375 -0.278 -6.060 1.00 1.14 H new ATOM 0 HB2 GLU A 42 25.718 1.329 -3.669 1.00 74.43 H new ATOM 0 HB3 GLU A 42 26.429 2.160 -5.039 1.00 74.43 H new ATOM 0 HG2 GLU A 42 23.806 1.011 -5.677 1.00 61.43 H new ATOM 0 HG3 GLU A 42 23.732 2.126 -4.327 1.00 61.43 H new ATOM 681 N ARG A 43 28.550 -0.114 -5.406 1.00 33.12 N ATOM 682 CA ARG A 43 29.879 -0.006 -5.995 1.00 61.23 C ATOM 683 C ARG A 43 30.117 -1.123 -7.006 1.00 24.13 C ATOM 684 O ARG A 43 30.914 -0.977 -7.934 1.00 41.13 O ATOM 685 CB ARG A 43 30.950 -0.055 -4.904 1.00 61.03 C ATOM 686 CG ARG A 43 31.944 1.093 -4.973 1.00 25.11 C ATOM 687 CD ARG A 43 33.129 0.750 -5.863 1.00 50.21 C ATOM 688 NE ARG A 43 33.814 1.945 -6.347 1.00 54.11 N ATOM 689 CZ ARG A 43 34.648 1.947 -7.380 1.00 33.43 C ATOM 690 NH1 ARG A 43 34.900 0.823 -8.035 1.00 64.32 N ATOM 691 NH2 ARG A 43 35.234 3.076 -7.760 1.00 51.43 N ATOM 0 H ARG A 43 28.541 -0.457 -4.445 1.00 33.12 H new ATOM 0 HA ARG A 43 29.942 0.951 -6.514 1.00 61.23 H new ATOM 0 HB2 ARG A 43 30.464 -0.045 -3.929 1.00 61.03 H new ATOM 0 HB3 ARG A 43 31.491 -0.998 -4.980 1.00 61.03 H new ATOM 0 HG2 ARG A 43 31.446 1.984 -5.355 1.00 25.11 H new ATOM 0 HG3 ARG A 43 32.298 1.331 -3.970 1.00 25.11 H new ATOM 0 HD2 ARG A 43 33.832 0.129 -5.307 1.00 50.21 H new ATOM 0 HD3 ARG A 43 32.785 0.160 -6.713 1.00 50.21 H new ATOM 0 HE ARG A 43 33.642 2.827 -5.865 1.00 54.11 H new ATOM 0 HH11 ARG A 43 34.453 -0.047 -7.746 1.00 64.32 H new ATOM 0 HH12 ARG A 43 35.541 0.828 -8.828 1.00 64.32 H new ATOM 0 HH21 ARG A 43 35.044 3.943 -7.258 1.00 51.43 H new ATOM 0 HH22 ARG A 43 35.875 3.076 -8.554 1.00 51.43 H new ATOM 705 N PHE A 44 29.421 -2.240 -6.822 1.00 61.41 N ATOM 706 CA PHE A 44 29.557 -3.383 -7.717 1.00 22.20 C ATOM 707 C PHE A 44 28.469 -3.370 -8.786 1.00 73.21 C ATOM 708 O PHE A 44 28.089 -4.415 -9.313 1.00 33.41 O ATOM 709 CB PHE A 44 29.492 -4.690 -6.923 1.00 4.03 C ATOM 710 CG PHE A 44 30.769 -5.018 -6.202 1.00 3.35 C ATOM 711 CD1 PHE A 44 31.284 -4.154 -5.249 1.00 63.00 C ATOM 712 CD2 PHE A 44 31.455 -6.191 -6.479 1.00 14.21 C ATOM 713 CE1 PHE A 44 32.458 -4.453 -4.584 1.00 4.32 C ATOM 714 CE2 PHE A 44 32.629 -6.495 -5.818 1.00 35.42 C ATOM 715 CZ PHE A 44 33.132 -5.625 -4.870 1.00 55.23 C ATOM 0 H PHE A 44 28.757 -2.378 -6.060 1.00 61.41 H new ATOM 0 HA PHE A 44 30.527 -3.313 -8.210 1.00 22.20 H new ATOM 0 HB2 PHE A 44 28.681 -4.625 -6.198 1.00 4.03 H new ATOM 0 HB3 PHE A 44 29.248 -5.507 -7.602 1.00 4.03 H new ATOM 0 HD1 PHE A 44 30.762 -3.236 -5.023 1.00 63.00 H new ATOM 0 HD2 PHE A 44 31.067 -6.874 -7.220 1.00 14.21 H new ATOM 0 HE1 PHE A 44 32.848 -3.772 -3.842 1.00 4.32 H new ATOM 0 HE2 PHE A 44 33.153 -7.412 -6.042 1.00 35.42 H new ATOM 0 HZ PHE A 44 34.051 -5.860 -4.353 1.00 55.23 H new ATOM 725 N ALA A 45 27.971 -2.179 -9.100 1.00 15.01 N ATOM 726 CA ALA A 45 26.928 -2.028 -10.106 1.00 53.53 C ATOM 727 C ALA A 45 25.642 -2.725 -9.673 1.00 4.22 C ATOM 728 O ALA A 45 24.783 -3.034 -10.500 1.00 30.23 O ATOM 729 CB ALA A 45 27.402 -2.574 -11.445 1.00 32.25 C ATOM 0 H ALA A 45 28.273 -1.304 -8.672 1.00 15.01 H new ATOM 0 HA ALA A 45 26.715 -0.965 -10.215 1.00 53.53 H new ATOM 0 HB1 ALA A 45 26.612 -2.454 -12.187 1.00 32.25 H new ATOM 0 HB2 ALA A 45 28.288 -2.028 -11.767 1.00 32.25 H new ATOM 0 HB3 ALA A 45 27.645 -3.631 -11.341 1.00 32.25 H new ATOM 735 N VAL A 46 25.517 -2.970 -8.373 1.00 4.43 N ATOM 736 CA VAL A 46 24.336 -3.631 -7.830 1.00 44.13 C ATOM 737 C VAL A 46 23.600 -2.724 -6.850 1.00 21.30 C ATOM 738 O VAL A 46 24.127 -2.379 -5.794 1.00 34.52 O ATOM 739 CB VAL A 46 24.705 -4.945 -7.118 1.00 22.35 C ATOM 740 CG1 VAL A 46 23.467 -5.597 -6.523 1.00 32.43 C ATOM 741 CG2 VAL A 46 25.407 -5.893 -8.080 1.00 60.04 C ATOM 0 H VAL A 46 26.219 -2.721 -7.676 1.00 4.43 H new ATOM 0 HA VAL A 46 23.683 -3.855 -8.674 1.00 44.13 H new ATOM 0 HB VAL A 46 25.392 -4.716 -6.303 1.00 22.35 H new ATOM 0 HG11 VAL A 46 23.748 -6.524 -6.024 1.00 32.43 H new ATOM 0 HG12 VAL A 46 23.011 -4.920 -5.801 1.00 32.43 H new ATOM 0 HG13 VAL A 46 22.753 -5.815 -7.317 1.00 32.43 H new ATOM 0 HG21 VAL A 46 25.661 -6.817 -7.560 1.00 60.04 H new ATOM 0 HG22 VAL A 46 24.746 -6.117 -8.917 1.00 60.04 H new ATOM 0 HG23 VAL A 46 26.318 -5.424 -8.453 1.00 60.04 H new ATOM 751 N ASN A 47 22.379 -2.342 -7.209 1.00 71.13 N ATOM 752 CA ASN A 47 21.570 -1.475 -6.360 1.00 32.30 C ATOM 753 C ASN A 47 21.272 -2.146 -5.023 1.00 43.43 C ATOM 754 O ASN A 47 21.087 -3.361 -4.938 1.00 31.43 O ATOM 755 CB ASN A 47 20.261 -1.113 -7.065 1.00 23.33 C ATOM 756 CG ASN A 47 20.168 0.365 -7.388 1.00 54.41 C ATOM 757 OD1 ASN A 47 21.176 1.017 -7.661 1.00 52.01 O ATOM 758 ND2 ASN A 47 18.953 0.901 -7.359 1.00 13.04 N ATOM 0 H ASN A 47 21.928 -2.619 -8.081 1.00 71.13 H new ATOM 0 HA ASN A 47 22.137 -0.564 -6.170 1.00 32.30 H new ATOM 0 HB2 ASN A 47 20.176 -1.689 -7.986 1.00 23.33 H new ATOM 0 HB3 ASN A 47 19.420 -1.397 -6.432 1.00 23.33 H new ATOM 0 HD21 ASN A 47 18.827 1.891 -7.568 1.00 13.04 H new ATOM 0 HD22 ASN A 47 18.146 0.322 -7.128 1.00 13.04 H new ATOM 765 N PRO A 48 21.220 -1.339 -3.954 1.00 32.35 N ATOM 766 CA PRO A 48 20.944 -1.832 -2.601 1.00 43.22 C ATOM 767 C PRO A 48 19.501 -2.300 -2.439 1.00 0.53 C ATOM 768 O PRO A 48 19.139 -2.886 -1.420 1.00 4.10 O ATOM 769 CB PRO A 48 21.213 -0.613 -1.716 1.00 40.02 C ATOM 770 CG PRO A 48 20.998 0.559 -2.611 1.00 71.03 C ATOM 771 CD PRO A 48 21.430 0.119 -3.982 1.00 11.11 C ATOM 0 HA PRO A 48 21.555 -2.699 -2.351 1.00 43.22 H new ATOM 0 HB2 PRO A 48 20.537 -0.588 -0.861 1.00 40.02 H new ATOM 0 HB3 PRO A 48 22.228 -0.628 -1.320 1.00 40.02 H new ATOM 0 HG2 PRO A 48 19.951 0.863 -2.611 1.00 71.03 H new ATOM 0 HG3 PRO A 48 21.580 1.418 -2.276 1.00 71.03 H new ATOM 0 HD2 PRO A 48 20.837 0.596 -4.763 1.00 11.11 H new ATOM 0 HD3 PRO A 48 22.473 0.371 -4.175 1.00 11.11 H new ATOM 779 N GLY A 49 18.681 -2.035 -3.451 1.00 44.14 N ATOM 780 CA GLY A 49 17.286 -2.436 -3.401 1.00 23.22 C ATOM 781 C GLY A 49 17.114 -3.940 -3.463 1.00 62.24 C ATOM 782 O GLY A 49 16.015 -4.456 -3.247 1.00 23.54 O ATOM 0 H GLY A 49 18.957 -1.550 -4.305 1.00 44.14 H new ATOM 0 HA2 GLY A 49 16.835 -2.059 -2.483 1.00 23.22 H new ATOM 0 HA3 GLY A 49 16.749 -1.977 -4.231 1.00 23.22 H new ATOM 786 N LEU A 50 18.198 -4.648 -3.761 1.00 13.41 N ATOM 787 CA LEU A 50 18.162 -6.103 -3.853 1.00 51.40 C ATOM 788 C LEU A 50 18.250 -6.739 -2.469 1.00 3.53 C ATOM 789 O LEU A 50 17.820 -7.874 -2.268 1.00 62.22 O ATOM 790 CB LEU A 50 19.306 -6.607 -4.733 1.00 1.04 C ATOM 791 CG LEU A 50 19.311 -6.109 -6.179 1.00 23.22 C ATOM 792 CD1 LEU A 50 20.491 -6.693 -6.941 1.00 73.10 C ATOM 793 CD2 LEU A 50 18.001 -6.463 -6.868 1.00 3.24 C ATOM 0 H LEU A 50 19.114 -4.237 -3.943 1.00 13.41 H new ATOM 0 HA LEU A 50 17.212 -6.390 -4.304 1.00 51.40 H new ATOM 0 HB2 LEU A 50 20.249 -6.320 -4.268 1.00 1.04 H new ATOM 0 HB3 LEU A 50 19.275 -7.696 -4.745 1.00 1.04 H new ATOM 0 HG LEU A 50 19.413 -5.024 -6.170 1.00 23.22 H new ATOM 0 HD11 LEU A 50 20.478 -6.327 -7.968 1.00 73.10 H new ATOM 0 HD12 LEU A 50 21.421 -6.390 -6.460 1.00 73.10 H new ATOM 0 HD13 LEU A 50 20.421 -7.781 -6.942 1.00 73.10 H new ATOM 0 HD21 LEU A 50 18.021 -6.101 -7.896 1.00 3.24 H new ATOM 0 HD22 LEU A 50 17.870 -7.545 -6.866 1.00 3.24 H new ATOM 0 HD23 LEU A 50 17.172 -5.996 -6.336 1.00 3.24 H new ATOM 805 N LEU A 51 18.810 -5.998 -1.519 1.00 53.24 N ATOM 806 CA LEU A 51 18.953 -6.488 -0.152 1.00 43.23 C ATOM 807 C LEU A 51 17.600 -6.553 0.548 1.00 45.02 C ATOM 808 O LEU A 51 17.383 -7.389 1.425 1.00 22.34 O ATOM 809 CB LEU A 51 19.905 -5.586 0.636 1.00 63.53 C ATOM 810 CG LEU A 51 21.356 -5.559 0.155 1.00 2.41 C ATOM 811 CD1 LEU A 51 22.002 -4.223 0.487 1.00 11.42 C ATOM 812 CD2 LEU A 51 22.145 -6.704 0.773 1.00 13.33 C ATOM 0 H LEU A 51 19.172 -5.056 -1.670 1.00 53.24 H new ATOM 0 HA LEU A 51 19.367 -7.495 -0.195 1.00 43.23 H new ATOM 0 HB2 LEU A 51 19.515 -4.568 0.609 1.00 63.53 H new ATOM 0 HB3 LEU A 51 19.895 -5.904 1.679 1.00 63.53 H new ATOM 0 HG LEU A 51 21.363 -5.684 -0.928 1.00 2.41 H new ATOM 0 HD11 LEU A 51 23.034 -4.221 0.138 1.00 11.42 H new ATOM 0 HD12 LEU A 51 21.451 -3.421 -0.004 1.00 11.42 H new ATOM 0 HD13 LEU A 51 21.984 -4.068 1.566 1.00 11.42 H new ATOM 0 HD21 LEU A 51 23.175 -6.669 0.419 1.00 13.33 H new ATOM 0 HD22 LEU A 51 22.131 -6.611 1.859 1.00 13.33 H new ATOM 0 HD23 LEU A 51 21.695 -7.654 0.484 1.00 13.33 H new ATOM 824 N GLU A 52 16.691 -5.667 0.152 1.00 22.10 N ATOM 825 CA GLU A 52 15.357 -5.626 0.740 1.00 62.51 C ATOM 826 C GLU A 52 14.489 -6.759 0.201 1.00 20.22 C ATOM 827 O GLU A 52 13.360 -6.961 0.651 1.00 43.11 O ATOM 828 CB GLU A 52 14.691 -4.278 0.456 1.00 21.41 C ATOM 829 CG GLU A 52 14.237 -4.116 -0.985 1.00 35.12 C ATOM 830 CD GLU A 52 12.732 -3.981 -1.111 1.00 20.35 C ATOM 831 OE1 GLU A 52 12.114 -3.377 -0.209 1.00 43.00 O ATOM 832 OE2 GLU A 52 12.174 -4.479 -2.110 1.00 41.24 O ATOM 0 H GLU A 52 16.854 -4.968 -0.573 1.00 22.10 H new ATOM 0 HA GLU A 52 15.459 -5.752 1.818 1.00 62.51 H new ATOM 0 HB2 GLU A 52 13.830 -4.161 1.115 1.00 21.41 H new ATOM 0 HB3 GLU A 52 15.390 -3.478 0.700 1.00 21.41 H new ATOM 0 HG2 GLU A 52 14.714 -3.236 -1.416 1.00 35.12 H new ATOM 0 HG3 GLU A 52 14.571 -4.976 -1.566 1.00 35.12 H new ATOM 839 N THR A 53 15.023 -7.497 -0.768 1.00 32.04 N ATOM 840 CA THR A 53 14.298 -8.607 -1.371 1.00 23.20 C ATOM 841 C THR A 53 15.092 -9.905 -1.264 1.00 4.41 C ATOM 842 O THR A 53 16.254 -9.967 -1.664 1.00 14.24 O ATOM 843 CB THR A 53 13.982 -8.333 -2.853 1.00 62.22 C ATOM 844 OG1 THR A 53 15.172 -8.459 -3.639 1.00 45.33 O ATOM 845 CG2 THR A 53 13.394 -6.941 -3.032 1.00 25.23 C ATOM 0 H THR A 53 15.956 -7.345 -1.151 1.00 32.04 H new ATOM 0 HA THR A 53 13.363 -8.709 -0.821 1.00 23.20 H new ATOM 0 HB THR A 53 13.248 -9.066 -3.187 1.00 62.22 H new ATOM 0 HG1 THR A 53 15.957 -8.402 -3.055 1.00 45.33 H new ATOM 0 HG21 THR A 53 13.179 -6.770 -4.087 1.00 25.23 H new ATOM 0 HG22 THR A 53 12.473 -6.858 -2.456 1.00 25.23 H new ATOM 0 HG23 THR A 53 14.109 -6.196 -2.682 1.00 25.23 H new ATOM 853 N SER A 54 14.456 -10.939 -0.724 1.00 73.23 N ATOM 854 CA SER A 54 15.104 -12.235 -0.562 1.00 24.45 C ATOM 855 C SER A 54 15.617 -12.757 -1.901 1.00 31.33 C ATOM 856 O SER A 54 16.548 -13.560 -1.950 1.00 24.42 O ATOM 857 CB SER A 54 14.131 -13.243 0.052 1.00 21.21 C ATOM 858 OG SER A 54 13.561 -14.074 -0.944 1.00 73.40 O ATOM 0 H SER A 54 13.492 -10.905 -0.391 1.00 73.23 H new ATOM 0 HA SER A 54 15.954 -12.107 0.108 1.00 24.45 H new ATOM 0 HB2 SER A 54 14.653 -13.856 0.786 1.00 21.21 H new ATOM 0 HB3 SER A 54 13.341 -12.713 0.584 1.00 21.21 H new ATOM 0 HG SER A 54 12.944 -14.710 -0.525 1.00 73.40 H new ATOM 864 N GLU A 55 15.001 -12.295 -2.984 1.00 1.24 N ATOM 865 CA GLU A 55 15.394 -12.715 -4.324 1.00 74.24 C ATOM 866 C GLU A 55 16.656 -11.986 -4.775 1.00 2.20 C ATOM 867 O GLU A 55 17.559 -12.586 -5.355 1.00 23.44 O ATOM 868 CB GLU A 55 14.260 -12.456 -5.317 1.00 64.02 C ATOM 869 CG GLU A 55 13.757 -13.714 -6.009 1.00 15.45 C ATOM 870 CD GLU A 55 12.680 -13.423 -7.036 1.00 74.53 C ATOM 871 OE1 GLU A 55 11.543 -13.105 -6.629 1.00 70.01 O ATOM 872 OE2 GLU A 55 12.974 -13.514 -8.246 1.00 62.12 O ATOM 0 H GLU A 55 14.228 -11.630 -2.960 1.00 1.24 H new ATOM 0 HA GLU A 55 15.604 -13.784 -4.294 1.00 74.24 H new ATOM 0 HB2 GLU A 55 13.430 -11.983 -4.792 1.00 64.02 H new ATOM 0 HB3 GLU A 55 14.604 -11.749 -6.072 1.00 64.02 H new ATOM 0 HG2 GLU A 55 14.593 -14.215 -6.497 1.00 15.45 H new ATOM 0 HG3 GLU A 55 13.364 -14.403 -5.261 1.00 15.45 H new ATOM 879 N GLY A 56 16.709 -10.685 -4.504 1.00 34.22 N ATOM 880 CA GLY A 56 17.864 -9.894 -4.889 1.00 54.13 C ATOM 881 C GLY A 56 19.095 -10.228 -4.070 1.00 53.21 C ATOM 882 O GLY A 56 20.218 -9.923 -4.472 1.00 23.25 O ATOM 0 H GLY A 56 15.974 -10.165 -4.025 1.00 34.22 H new ATOM 0 HA2 GLY A 56 18.078 -10.059 -5.945 1.00 54.13 H new ATOM 0 HA3 GLY A 56 17.631 -8.836 -4.773 1.00 54.13 H new ATOM 886 N CYS A 57 18.885 -10.854 -2.918 1.00 73.44 N ATOM 887 CA CYS A 57 19.987 -11.227 -2.038 1.00 71.33 C ATOM 888 C CYS A 57 20.758 -12.414 -2.607 1.00 33.24 C ATOM 889 O CYS A 57 21.985 -12.375 -2.714 1.00 64.54 O ATOM 890 CB CYS A 57 19.461 -11.566 -0.643 1.00 61.44 C ATOM 891 SG CYS A 57 18.706 -10.170 0.223 1.00 44.52 S ATOM 0 H CYS A 57 17.962 -11.114 -2.571 1.00 73.44 H new ATOM 0 HA CYS A 57 20.666 -10.377 -1.965 1.00 71.33 H new ATOM 0 HB2 CYS A 57 18.726 -12.367 -0.729 1.00 61.44 H new ATOM 0 HB3 CYS A 57 20.284 -11.951 -0.040 1.00 61.44 H new ATOM 0 HG CYS A 57 17.599 -9.838 -0.372 1.00 44.52 H new ATOM 897 N ARG A 58 20.033 -13.467 -2.968 1.00 53.02 N ATOM 898 CA ARG A 58 20.649 -14.665 -3.522 1.00 23.03 C ATOM 899 C ARG A 58 21.568 -14.314 -4.689 1.00 43.33 C ATOM 900 O ARG A 58 22.671 -14.847 -4.805 1.00 42.22 O ATOM 901 CB ARG A 58 19.573 -15.651 -3.984 1.00 14.32 C ATOM 902 CG ARG A 58 19.471 -16.892 -3.113 1.00 61.04 C ATOM 903 CD ARG A 58 18.929 -18.078 -3.896 1.00 41.13 C ATOM 904 NE ARG A 58 18.709 -19.242 -3.043 1.00 60.42 N ATOM 905 CZ ARG A 58 17.996 -20.300 -3.412 1.00 63.52 C ATOM 906 NH1 ARG A 58 17.437 -20.341 -4.613 1.00 1.41 N ATOM 907 NH2 ARG A 58 17.841 -21.321 -2.579 1.00 25.21 N ATOM 0 H ARG A 58 19.017 -13.514 -2.886 1.00 53.02 H new ATOM 0 HA ARG A 58 21.247 -15.131 -2.739 1.00 23.03 H new ATOM 0 HB2 ARG A 58 18.608 -15.144 -3.994 1.00 14.32 H new ATOM 0 HB3 ARG A 58 19.785 -15.953 -5.009 1.00 14.32 H new ATOM 0 HG2 ARG A 58 20.454 -17.138 -2.711 1.00 61.04 H new ATOM 0 HG3 ARG A 58 18.821 -16.688 -2.262 1.00 61.04 H new ATOM 0 HD2 ARG A 58 17.991 -17.798 -4.376 1.00 41.13 H new ATOM 0 HD3 ARG A 58 19.628 -18.338 -4.691 1.00 41.13 H new ATOM 0 HE ARG A 58 19.126 -19.243 -2.112 1.00 60.42 H new ATOM 0 HH11 ARG A 58 17.554 -19.559 -5.257 1.00 1.41 H new ATOM 0 HH12 ARG A 58 16.890 -21.155 -4.893 1.00 1.41 H new ATOM 0 HH21 ARG A 58 18.270 -21.294 -1.654 1.00 25.21 H new ATOM 0 HH22 ARG A 58 17.293 -22.133 -2.864 1.00 25.21 H new ATOM 921 N GLN A 59 21.102 -13.415 -5.551 1.00 30.45 N ATOM 922 CA GLN A 59 21.882 -12.995 -6.709 1.00 1.03 C ATOM 923 C GLN A 59 23.266 -12.512 -6.288 1.00 15.12 C ATOM 924 O GLN A 59 24.225 -12.598 -7.057 1.00 54.41 O ATOM 925 CB GLN A 59 21.151 -11.885 -7.468 1.00 74.43 C ATOM 926 CG GLN A 59 21.309 -11.973 -8.976 1.00 12.43 C ATOM 927 CD GLN A 59 20.772 -10.748 -9.692 1.00 24.33 C ATOM 928 OE1 GLN A 59 19.935 -10.020 -9.157 1.00 24.15 O ATOM 929 NE2 GLN A 59 21.253 -10.515 -10.908 1.00 54.23 N ATOM 0 H GLN A 59 20.190 -12.965 -5.469 1.00 30.45 H new ATOM 0 HA GLN A 59 22.002 -13.857 -7.366 1.00 1.03 H new ATOM 0 HB2 GLN A 59 20.090 -11.924 -7.219 1.00 74.43 H new ATOM 0 HB3 GLN A 59 21.523 -10.918 -7.128 1.00 74.43 H new ATOM 0 HG2 GLN A 59 22.364 -12.099 -9.220 1.00 12.43 H new ATOM 0 HG3 GLN A 59 20.790 -12.859 -9.341 1.00 12.43 H new ATOM 0 HE21 GLN A 59 21.946 -11.145 -11.312 1.00 54.23 H new ATOM 0 HE22 GLN A 59 20.930 -9.706 -11.438 1.00 54.23 H new ATOM 938 N ILE A 60 23.363 -12.004 -5.064 1.00 44.12 N ATOM 939 CA ILE A 60 24.630 -11.508 -4.541 1.00 62.04 C ATOM 940 C ILE A 60 25.571 -12.658 -4.198 1.00 43.14 C ATOM 941 O ILE A 60 26.764 -12.609 -4.499 1.00 12.24 O ATOM 942 CB ILE A 60 24.420 -10.640 -3.287 1.00 31.13 C ATOM 943 CG1 ILE A 60 23.325 -9.600 -3.536 1.00 22.23 C ATOM 944 CG2 ILE A 60 25.722 -9.960 -2.889 1.00 60.42 C ATOM 945 CD1 ILE A 60 23.007 -8.755 -2.323 1.00 43.32 C ATOM 0 H ILE A 60 22.579 -11.925 -4.416 1.00 44.12 H new ATOM 0 HA ILE A 60 25.077 -10.897 -5.325 1.00 62.04 H new ATOM 0 HB ILE A 60 24.103 -11.284 -2.467 1.00 31.13 H new ATOM 0 HG12 ILE A 60 23.634 -8.947 -4.352 1.00 22.23 H new ATOM 0 HG13 ILE A 60 22.418 -10.110 -3.861 1.00 22.23 H new ATOM 0 HG21 ILE A 60 25.557 -9.350 -2.001 1.00 60.42 H new ATOM 0 HG22 ILE A 60 26.477 -10.717 -2.675 1.00 60.42 H new ATOM 0 HG23 ILE A 60 26.066 -9.326 -3.706 1.00 60.42 H new ATOM 0 HD11 ILE A 60 22.223 -8.040 -2.573 1.00 43.32 H new ATOM 0 HD12 ILE A 60 22.667 -9.398 -1.511 1.00 43.32 H new ATOM 0 HD13 ILE A 60 23.902 -8.217 -2.010 1.00 43.32 H new ATOM 957 N LEU A 61 25.026 -13.694 -3.569 1.00 3.53 N ATOM 958 CA LEU A 61 25.816 -14.859 -3.187 1.00 51.14 C ATOM 959 C LEU A 61 26.264 -15.641 -4.417 1.00 43.32 C ATOM 960 O LEU A 61 27.278 -16.337 -4.388 1.00 43.31 O ATOM 961 CB LEU A 61 25.006 -15.766 -2.258 1.00 11.04 C ATOM 962 CG LEU A 61 24.485 -15.118 -0.974 1.00 4.45 C ATOM 963 CD1 LEU A 61 23.307 -15.903 -0.421 1.00 64.40 C ATOM 964 CD2 LEU A 61 25.596 -15.018 0.061 1.00 20.41 C ATOM 0 H LEU A 61 24.040 -13.751 -3.313 1.00 3.53 H new ATOM 0 HA LEU A 61 26.703 -14.509 -2.660 1.00 51.14 H new ATOM 0 HB2 LEU A 61 24.155 -16.156 -2.816 1.00 11.04 H new ATOM 0 HB3 LEU A 61 25.626 -16.620 -1.985 1.00 11.04 H new ATOM 0 HG LEU A 61 24.144 -14.110 -1.210 1.00 4.45 H new ATOM 0 HD11 LEU A 61 22.949 -15.428 0.492 1.00 64.40 H new ATOM 0 HD12 LEU A 61 22.504 -15.922 -1.158 1.00 64.40 H new ATOM 0 HD13 LEU A 61 23.621 -16.923 -0.200 1.00 64.40 H new ATOM 0 HD21 LEU A 61 25.208 -14.555 0.968 1.00 20.41 H new ATOM 0 HD22 LEU A 61 25.967 -16.016 0.294 1.00 20.41 H new ATOM 0 HD23 LEU A 61 26.410 -14.412 -0.336 1.00 20.41 H new ATOM 976 N GLY A 62 25.500 -15.519 -5.499 1.00 23.21 N ATOM 977 CA GLY A 62 25.835 -16.219 -6.726 1.00 1.04 C ATOM 978 C GLY A 62 27.097 -15.682 -7.374 1.00 74.25 C ATOM 979 O GLY A 62 27.716 -16.358 -8.194 1.00 4.24 O ATOM 0 H GLY A 62 24.656 -14.948 -5.548 1.00 23.21 H new ATOM 0 HA2 GLY A 62 25.963 -17.280 -6.512 1.00 1.04 H new ATOM 0 HA3 GLY A 62 25.005 -16.133 -7.428 1.00 1.04 H new ATOM 983 N GLN A 63 27.476 -14.463 -7.005 1.00 61.32 N ATOM 984 CA GLN A 63 28.670 -13.835 -7.558 1.00 63.00 C ATOM 985 C GLN A 63 29.846 -13.955 -6.594 1.00 64.33 C ATOM 986 O GLN A 63 31.005 -13.939 -7.006 1.00 3.15 O ATOM 987 CB GLN A 63 28.400 -12.362 -7.870 1.00 70.41 C ATOM 988 CG GLN A 63 28.079 -12.099 -9.333 1.00 72.22 C ATOM 989 CD GLN A 63 29.268 -11.557 -10.102 1.00 44.41 C ATOM 990 OE1 GLN A 63 29.643 -10.394 -9.950 1.00 51.25 O ATOM 991 NE2 GLN A 63 29.868 -12.399 -10.936 1.00 54.14 N ATOM 0 H GLN A 63 26.974 -13.891 -6.326 1.00 61.32 H new ATOM 0 HA GLN A 63 28.927 -14.354 -8.482 1.00 63.00 H new ATOM 0 HB2 GLN A 63 27.568 -12.016 -7.256 1.00 70.41 H new ATOM 0 HB3 GLN A 63 29.272 -11.773 -7.586 1.00 70.41 H new ATOM 0 HG2 GLN A 63 27.741 -13.024 -9.799 1.00 72.22 H new ATOM 0 HG3 GLN A 63 27.254 -11.389 -9.398 1.00 72.22 H new ATOM 0 HE21 GLN A 63 29.524 -13.355 -11.031 1.00 54.14 H new ATOM 0 HE22 GLN A 63 30.673 -12.090 -11.481 1.00 54.14 H new ATOM 1000 N LEU A 64 29.538 -14.076 -5.307 1.00 32.51 N ATOM 1001 CA LEU A 64 30.568 -14.200 -4.283 1.00 35.43 C ATOM 1002 C LEU A 64 30.940 -15.662 -4.056 1.00 5.55 C ATOM 1003 O LEU A 64 32.039 -15.968 -3.595 1.00 74.33 O ATOM 1004 CB LEU A 64 30.089 -13.575 -2.970 1.00 4.34 C ATOM 1005 CG LEU A 64 29.728 -12.090 -3.027 1.00 24.23 C ATOM 1006 CD1 LEU A 64 29.385 -11.571 -1.640 1.00 73.14 C ATOM 1007 CD2 LEU A 64 30.869 -11.286 -3.632 1.00 1.15 C ATOM 0 H LEU A 64 28.583 -14.091 -4.949 1.00 32.51 H new ATOM 0 HA LEU A 64 31.454 -13.669 -4.630 1.00 35.43 H new ATOM 0 HB2 LEU A 64 29.215 -14.128 -2.625 1.00 4.34 H new ATOM 0 HB3 LEU A 64 30.869 -13.711 -2.220 1.00 4.34 H new ATOM 0 HG LEU A 64 28.851 -11.973 -3.664 1.00 24.23 H new ATOM 0 HD11 LEU A 64 29.131 -10.513 -1.700 1.00 73.14 H new ATOM 0 HD12 LEU A 64 28.535 -12.126 -1.244 1.00 73.14 H new ATOM 0 HD13 LEU A 64 30.243 -11.701 -0.980 1.00 73.14 H new ATOM 0 HD21 LEU A 64 30.594 -10.232 -3.664 1.00 1.15 H new ATOM 0 HD22 LEU A 64 31.764 -11.409 -3.022 1.00 1.15 H new ATOM 0 HD23 LEU A 64 31.068 -11.640 -4.643 1.00 1.15 H new ATOM 1019 N GLN A 65 30.018 -16.559 -4.388 1.00 62.34 N ATOM 1020 CA GLN A 65 30.250 -17.989 -4.223 1.00 34.21 C ATOM 1021 C GLN A 65 31.562 -18.407 -4.878 1.00 11.23 C ATOM 1022 O GLN A 65 32.486 -18.890 -4.222 1.00 2.55 O ATOM 1023 CB GLN A 65 29.090 -18.788 -4.819 1.00 0.02 C ATOM 1024 CG GLN A 65 28.210 -19.455 -3.775 1.00 12.52 C ATOM 1025 CD GLN A 65 26.957 -20.066 -4.372 1.00 22.21 C ATOM 1026 OE1 GLN A 65 26.994 -20.652 -5.454 1.00 50.42 O ATOM 1027 NE2 GLN A 65 25.840 -19.934 -3.667 1.00 61.30 N ATOM 0 H GLN A 65 29.104 -16.321 -4.773 1.00 62.34 H new ATOM 0 HA GLN A 65 30.315 -18.200 -3.156 1.00 34.21 H new ATOM 0 HB2 GLN A 65 28.477 -18.123 -5.428 1.00 0.02 H new ATOM 0 HB3 GLN A 65 29.491 -19.552 -5.486 1.00 0.02 H new ATOM 0 HG2 GLN A 65 28.781 -20.231 -3.266 1.00 12.52 H new ATOM 0 HG3 GLN A 65 27.928 -18.721 -3.021 1.00 12.52 H new ATOM 0 HE21 GLN A 65 25.855 -19.440 -2.775 1.00 61.30 H new ATOM 0 HE22 GLN A 65 24.966 -20.326 -4.018 1.00 61.30 H new ATOM 1036 N PRO A 66 31.647 -18.219 -6.204 1.00 31.10 N ATOM 1037 CA PRO A 66 32.842 -18.570 -6.977 1.00 3.35 C ATOM 1038 C PRO A 66 34.020 -17.652 -6.672 1.00 31.42 C ATOM 1039 O PRO A 66 35.165 -17.965 -7.001 1.00 74.03 O ATOM 1040 CB PRO A 66 32.389 -18.394 -8.428 1.00 4.04 C ATOM 1041 CG PRO A 66 31.277 -17.405 -8.361 1.00 30.52 C ATOM 1042 CD PRO A 66 30.585 -17.650 -7.048 1.00 4.52 C ATOM 0 HA PRO A 66 33.197 -19.574 -6.745 1.00 3.35 H new ATOM 0 HB2 PRO A 66 33.203 -18.032 -9.056 1.00 4.04 H new ATOM 0 HB3 PRO A 66 32.053 -19.339 -8.855 1.00 4.04 H new ATOM 0 HG2 PRO A 66 31.658 -16.385 -8.417 1.00 30.52 H new ATOM 0 HG3 PRO A 66 30.588 -17.535 -9.196 1.00 30.52 H new ATOM 0 HD2 PRO A 66 30.187 -16.728 -6.625 1.00 4.52 H new ATOM 0 HD3 PRO A 66 29.747 -18.338 -7.158 1.00 4.52 H new ATOM 1050 N SER A 67 33.734 -16.518 -6.041 1.00 52.42 N ATOM 1051 CA SER A 67 34.770 -15.553 -5.695 1.00 74.14 C ATOM 1052 C SER A 67 35.443 -15.927 -4.377 1.00 2.41 C ATOM 1053 O SER A 67 36.603 -15.587 -4.141 1.00 34.31 O ATOM 1054 CB SER A 67 34.174 -14.147 -5.595 1.00 22.13 C ATOM 1055 OG SER A 67 33.632 -13.733 -6.837 1.00 65.12 O ATOM 0 H SER A 67 32.793 -16.245 -5.759 1.00 52.42 H new ATOM 0 HA SER A 67 35.522 -15.566 -6.484 1.00 74.14 H new ATOM 0 HB2 SER A 67 33.396 -14.132 -4.832 1.00 22.13 H new ATOM 0 HB3 SER A 67 34.944 -13.444 -5.278 1.00 22.13 H new ATOM 0 HG SER A 67 32.740 -14.123 -6.951 1.00 65.12 H new ATOM 1061 N LEU A 68 34.706 -16.630 -3.523 1.00 12.24 N ATOM 1062 CA LEU A 68 35.230 -17.051 -2.229 1.00 33.12 C ATOM 1063 C LEU A 68 36.556 -17.788 -2.391 1.00 3.34 C ATOM 1064 O LEU A 68 37.407 -17.758 -1.502 1.00 41.44 O ATOM 1065 CB LEU A 68 34.219 -17.950 -1.515 1.00 2.03 C ATOM 1066 CG LEU A 68 33.005 -17.245 -0.909 1.00 21.34 C ATOM 1067 CD1 LEU A 68 31.769 -18.125 -1.014 1.00 34.31 C ATOM 1068 CD2 LEU A 68 33.275 -16.871 0.541 1.00 73.51 C ATOM 0 H LEU A 68 33.745 -16.920 -3.704 1.00 12.24 H new ATOM 0 HA LEU A 68 35.402 -16.158 -1.628 1.00 33.12 H new ATOM 0 HB2 LEU A 68 33.863 -18.698 -2.224 1.00 2.03 H new ATOM 0 HB3 LEU A 68 34.737 -18.486 -0.720 1.00 2.03 H new ATOM 0 HG LEU A 68 32.822 -16.329 -1.471 1.00 21.34 H new ATOM 0 HD11 LEU A 68 30.915 -17.607 -0.578 1.00 34.31 H new ATOM 0 HD12 LEU A 68 31.565 -18.342 -2.063 1.00 34.31 H new ATOM 0 HD13 LEU A 68 31.940 -19.058 -0.477 1.00 34.31 H new ATOM 0 HD21 LEU A 68 32.401 -16.370 0.956 1.00 73.51 H new ATOM 0 HD22 LEU A 68 33.484 -17.773 1.116 1.00 73.51 H new ATOM 0 HD23 LEU A 68 34.134 -16.202 0.590 1.00 73.51 H new ATOM 1080 N GLN A 69 36.725 -18.446 -3.534 1.00 43.31 N ATOM 1081 CA GLN A 69 37.948 -19.189 -3.813 1.00 1.55 C ATOM 1082 C GLN A 69 39.178 -18.313 -3.598 1.00 2.34 C ATOM 1083 O GLN A 69 40.213 -18.781 -3.121 1.00 54.42 O ATOM 1084 CB GLN A 69 37.931 -19.721 -5.247 1.00 5.31 C ATOM 1085 CG GLN A 69 39.033 -20.727 -5.536 1.00 65.23 C ATOM 1086 CD GLN A 69 39.131 -21.079 -7.008 1.00 61.32 C ATOM 1087 OE1 GLN A 69 38.374 -21.910 -7.511 1.00 31.11 O ATOM 1088 NE2 GLN A 69 40.066 -20.446 -7.707 1.00 22.33 N ATOM 0 H GLN A 69 36.031 -18.479 -4.281 1.00 43.31 H new ATOM 0 HA GLN A 69 37.998 -20.030 -3.122 1.00 1.55 H new ATOM 0 HB2 GLN A 69 36.965 -20.187 -5.441 1.00 5.31 H new ATOM 0 HB3 GLN A 69 38.025 -18.883 -5.938 1.00 5.31 H new ATOM 0 HG2 GLN A 69 39.987 -20.322 -5.199 1.00 65.23 H new ATOM 0 HG3 GLN A 69 38.851 -21.635 -4.961 1.00 65.23 H new ATOM 0 HE21 GLN A 69 40.671 -19.765 -7.249 1.00 22.33 H new ATOM 0 HE22 GLN A 69 40.179 -20.641 -8.702 1.00 22.33 H new ATOM 1097 N THR A 70 39.060 -17.038 -3.956 1.00 12.11 N ATOM 1098 CA THR A 70 40.162 -16.096 -3.804 1.00 31.12 C ATOM 1099 C THR A 70 39.649 -14.689 -3.518 1.00 60.35 C ATOM 1100 O THR A 70 40.124 -13.714 -4.097 1.00 43.31 O ATOM 1101 CB THR A 70 41.048 -16.059 -5.064 1.00 62.44 C ATOM 1102 OG1 THR A 70 41.077 -17.352 -5.679 1.00 42.35 O ATOM 1103 CG2 THR A 70 42.464 -15.626 -4.717 1.00 53.11 C ATOM 0 H THR A 70 38.212 -16.634 -4.353 1.00 12.11 H new ATOM 0 HA THR A 70 40.757 -16.442 -2.959 1.00 31.12 H new ATOM 0 HB THR A 70 40.624 -15.335 -5.759 1.00 62.44 H new ATOM 0 HG1 THR A 70 41.641 -17.321 -6.480 1.00 42.35 H new ATOM 0 HG21 THR A 70 43.071 -15.607 -5.622 1.00 53.11 H new ATOM 0 HG22 THR A 70 42.442 -14.630 -4.274 1.00 53.11 H new ATOM 0 HG23 THR A 70 42.896 -16.330 -4.005 1.00 53.11 H new ATOM 1111 N GLY A 71 38.674 -14.592 -2.618 1.00 11.53 N ATOM 1112 CA GLY A 71 38.112 -13.300 -2.270 1.00 53.21 C ATOM 1113 C GLY A 71 38.975 -12.540 -1.283 1.00 52.03 C ATOM 1114 O GLY A 71 39.971 -13.065 -0.786 1.00 33.30 O ATOM 0 H GLY A 71 38.264 -15.385 -2.124 1.00 11.53 H new ATOM 0 HA2 GLY A 71 37.990 -12.705 -3.175 1.00 53.21 H new ATOM 0 HA3 GLY A 71 37.118 -13.442 -1.845 1.00 53.21 H new ATOM 1118 N SER A 72 38.593 -11.299 -0.998 1.00 31.31 N ATOM 1119 CA SER A 72 39.342 -10.463 -0.067 1.00 1.32 C ATOM 1120 C SER A 72 38.543 -10.222 1.211 1.00 10.33 C ATOM 1121 O SER A 72 37.497 -10.834 1.425 1.00 12.51 O ATOM 1122 CB SER A 72 39.695 -9.125 -0.721 1.00 21.14 C ATOM 1123 OG SER A 72 38.532 -8.357 -0.970 1.00 55.21 O ATOM 0 H SER A 72 37.769 -10.850 -1.399 1.00 31.31 H new ATOM 0 HA SER A 72 40.262 -10.986 0.194 1.00 1.32 H new ATOM 0 HB2 SER A 72 40.371 -8.567 -0.073 1.00 21.14 H new ATOM 0 HB3 SER A 72 40.225 -9.303 -1.657 1.00 21.14 H new ATOM 0 HG SER A 72 38.785 -7.507 -1.386 1.00 55.21 H new ATOM 1129 N GLU A 73 39.046 -9.326 2.055 1.00 44.13 N ATOM 1130 CA GLU A 73 38.380 -9.005 3.311 1.00 71.54 C ATOM 1131 C GLU A 73 36.978 -8.458 3.061 1.00 5.11 C ATOM 1132 O GLU A 73 36.025 -8.824 3.748 1.00 20.35 O ATOM 1133 CB GLU A 73 39.202 -7.987 4.104 1.00 32.51 C ATOM 1134 CG GLU A 73 39.499 -6.712 3.334 1.00 2.35 C ATOM 1135 CD GLU A 73 40.698 -5.963 3.884 1.00 72.14 C ATOM 1136 OE1 GLU A 73 41.130 -6.283 5.012 1.00 42.42 O ATOM 1137 OE2 GLU A 73 41.203 -5.058 3.188 1.00 35.30 O ATOM 0 H GLU A 73 39.911 -8.811 1.892 1.00 44.13 H new ATOM 0 HA GLU A 73 38.294 -9.924 3.891 1.00 71.54 H new ATOM 0 HB2 GLU A 73 38.666 -7.733 5.018 1.00 32.51 H new ATOM 0 HB3 GLU A 73 40.143 -8.448 4.404 1.00 32.51 H new ATOM 0 HG2 GLU A 73 39.678 -6.958 2.287 1.00 2.35 H new ATOM 0 HG3 GLU A 73 38.624 -6.062 3.364 1.00 2.35 H new ATOM 1144 N GLU A 74 36.861 -7.578 2.071 1.00 1.22 N ATOM 1145 CA GLU A 74 35.576 -6.978 1.730 1.00 23.41 C ATOM 1146 C GLU A 74 34.626 -8.023 1.151 1.00 63.30 C ATOM 1147 O GLU A 74 33.464 -8.111 1.551 1.00 42.50 O ATOM 1148 CB GLU A 74 35.770 -5.839 0.728 1.00 32.21 C ATOM 1149 CG GLU A 74 36.733 -4.765 1.207 1.00 54.04 C ATOM 1150 CD GLU A 74 36.757 -3.554 0.294 1.00 13.03 C ATOM 1151 OE1 GLU A 74 36.119 -3.605 -0.777 1.00 45.13 O ATOM 1152 OE2 GLU A 74 37.416 -2.555 0.652 1.00 21.12 O ATOM 0 H GLU A 74 37.640 -7.265 1.492 1.00 1.22 H new ATOM 0 HA GLU A 74 35.136 -6.577 2.643 1.00 23.41 H new ATOM 0 HB2 GLU A 74 36.137 -6.252 -0.212 1.00 32.21 H new ATOM 0 HB3 GLU A 74 34.803 -5.381 0.519 1.00 32.21 H new ATOM 0 HG2 GLU A 74 36.451 -4.452 2.212 1.00 54.04 H new ATOM 0 HG3 GLU A 74 37.736 -5.185 1.273 1.00 54.04 H new ATOM 1159 N LEU A 75 35.127 -8.812 0.207 1.00 23.53 N ATOM 1160 CA LEU A 75 34.324 -9.851 -0.428 1.00 51.31 C ATOM 1161 C LEU A 75 33.878 -10.894 0.591 1.00 71.32 C ATOM 1162 O LEU A 75 32.854 -11.553 0.411 1.00 64.41 O ATOM 1163 CB LEU A 75 35.118 -10.523 -1.549 1.00 64.13 C ATOM 1164 CG LEU A 75 34.313 -11.404 -2.507 1.00 34.02 C ATOM 1165 CD1 LEU A 75 34.589 -11.014 -3.950 1.00 64.30 C ATOM 1166 CD2 LEU A 75 34.637 -12.873 -2.277 1.00 23.53 C ATOM 0 H LEU A 75 36.086 -8.752 -0.136 1.00 23.53 H new ATOM 0 HA LEU A 75 33.436 -9.381 -0.851 1.00 51.31 H new ATOM 0 HB2 LEU A 75 35.614 -9.747 -2.131 1.00 64.13 H new ATOM 0 HB3 LEU A 75 35.901 -11.133 -1.098 1.00 64.13 H new ATOM 0 HG LEU A 75 33.252 -11.251 -2.309 1.00 34.02 H new ATOM 0 HD11 LEU A 75 34.008 -11.651 -4.617 1.00 64.30 H new ATOM 0 HD12 LEU A 75 34.307 -9.973 -4.106 1.00 64.30 H new ATOM 0 HD13 LEU A 75 35.651 -11.138 -4.164 1.00 64.30 H new ATOM 0 HD21 LEU A 75 34.056 -13.486 -2.966 1.00 23.53 H new ATOM 0 HD22 LEU A 75 35.700 -13.042 -2.448 1.00 23.53 H new ATOM 0 HD23 LEU A 75 34.387 -13.144 -1.251 1.00 23.53 H new ATOM 1178 N ARG A 76 34.652 -11.036 1.662 1.00 63.05 N ATOM 1179 CA ARG A 76 34.337 -11.999 2.710 1.00 52.14 C ATOM 1180 C ARG A 76 33.227 -11.471 3.617 1.00 23.02 C ATOM 1181 O ARG A 76 32.209 -12.135 3.818 1.00 15.42 O ATOM 1182 CB ARG A 76 35.584 -12.308 3.541 1.00 64.22 C ATOM 1183 CG ARG A 76 35.548 -13.673 4.208 1.00 60.14 C ATOM 1184 CD ARG A 76 36.869 -13.995 4.888 1.00 71.31 C ATOM 1185 NE ARG A 76 36.989 -13.340 6.189 1.00 43.51 N ATOM 1186 CZ ARG A 76 38.125 -13.268 6.873 1.00 24.24 C ATOM 1187 NH1 ARG A 76 39.234 -13.807 6.383 1.00 62.44 N ATOM 1188 NH2 ARG A 76 38.155 -12.655 8.048 1.00 75.45 N ATOM 0 H ARG A 76 35.502 -10.496 1.827 1.00 63.05 H new ATOM 0 HA ARG A 76 33.990 -12.916 2.234 1.00 52.14 H new ATOM 0 HB2 ARG A 76 36.462 -12.250 2.898 1.00 64.22 H new ATOM 0 HB3 ARG A 76 35.699 -11.541 4.307 1.00 64.22 H new ATOM 0 HG2 ARG A 76 34.743 -13.699 4.943 1.00 60.14 H new ATOM 0 HG3 ARG A 76 35.325 -14.437 3.464 1.00 60.14 H new ATOM 0 HD2 ARG A 76 36.957 -15.074 5.016 1.00 71.31 H new ATOM 0 HD3 ARG A 76 37.693 -13.681 4.247 1.00 71.31 H new ATOM 0 HE ARG A 76 36.155 -12.915 6.594 1.00 43.51 H new ATOM 0 HH11 ARG A 76 39.216 -14.278 5.479 1.00 62.44 H new ATOM 0 HH12 ARG A 76 40.105 -13.750 6.911 1.00 62.44 H new ATOM 0 HH21 ARG A 76 37.305 -12.238 8.428 1.00 75.45 H new ATOM 0 HH22 ARG A 76 39.028 -12.600 8.573 1.00 75.45 H new ATOM 1202 N SER A 77 33.432 -10.276 4.160 1.00 12.02 N ATOM 1203 CA SER A 77 32.452 -9.661 5.047 1.00 72.25 C ATOM 1204 C SER A 77 31.070 -9.644 4.401 1.00 74.20 C ATOM 1205 O SER A 77 30.052 -9.769 5.084 1.00 64.22 O ATOM 1206 CB SER A 77 32.879 -8.236 5.404 1.00 74.21 C ATOM 1207 OG SER A 77 33.702 -8.224 6.558 1.00 62.31 O ATOM 0 H SER A 77 34.268 -9.714 4.001 1.00 12.02 H new ATOM 0 HA SER A 77 32.400 -10.256 5.959 1.00 72.25 H new ATOM 0 HB2 SER A 77 33.417 -7.793 4.566 1.00 74.21 H new ATOM 0 HB3 SER A 77 31.996 -7.621 5.577 1.00 74.21 H new ATOM 0 HG SER A 77 33.963 -7.302 6.764 1.00 62.31 H new ATOM 1213 N LEU A 78 31.042 -9.489 3.083 1.00 13.11 N ATOM 1214 CA LEU A 78 29.786 -9.455 2.343 1.00 52.50 C ATOM 1215 C LEU A 78 29.045 -10.782 2.466 1.00 64.32 C ATOM 1216 O LEU A 78 27.897 -10.826 2.909 1.00 1.34 O ATOM 1217 CB LEU A 78 30.047 -9.138 0.869 1.00 11.44 C ATOM 1218 CG LEU A 78 29.727 -7.712 0.422 1.00 15.42 C ATOM 1219 CD1 LEU A 78 28.269 -7.378 0.703 1.00 21.33 C ATOM 1220 CD2 LEU A 78 30.647 -6.716 1.115 1.00 41.55 C ATOM 0 H LEU A 78 31.875 -9.385 2.504 1.00 13.11 H new ATOM 0 HA LEU A 78 29.162 -8.671 2.772 1.00 52.50 H new ATOM 0 HB2 LEU A 78 31.097 -9.337 0.656 1.00 11.44 H new ATOM 0 HB3 LEU A 78 29.462 -9.828 0.261 1.00 11.44 H new ATOM 0 HG LEU A 78 29.894 -7.643 -0.653 1.00 15.42 H new ATOM 0 HD11 LEU A 78 28.060 -6.359 0.378 1.00 21.33 H new ATOM 0 HD12 LEU A 78 27.626 -8.071 0.160 1.00 21.33 H new ATOM 0 HD13 LEU A 78 28.075 -7.465 1.772 1.00 21.33 H new ATOM 0 HD21 LEU A 78 30.405 -5.706 0.785 1.00 41.55 H new ATOM 0 HD22 LEU A 78 30.513 -6.787 2.194 1.00 41.55 H new ATOM 0 HD23 LEU A 78 31.683 -6.941 0.863 1.00 41.55 H new ATOM 1232 N TYR A 79 29.710 -11.862 2.073 1.00 24.20 N ATOM 1233 CA TYR A 79 29.115 -13.193 2.139 1.00 50.40 C ATOM 1234 C TYR A 79 28.559 -13.472 3.532 1.00 64.21 C ATOM 1235 O TYR A 79 27.592 -14.215 3.688 1.00 54.13 O ATOM 1236 CB TYR A 79 30.150 -14.256 1.766 1.00 73.54 C ATOM 1237 CG TYR A 79 29.552 -15.475 1.102 1.00 43.21 C ATOM 1238 CD1 TYR A 79 28.950 -15.384 -0.147 1.00 50.21 C ATOM 1239 CD2 TYR A 79 29.590 -16.718 1.722 1.00 53.31 C ATOM 1240 CE1 TYR A 79 28.402 -16.495 -0.759 1.00 42.04 C ATOM 1241 CE2 TYR A 79 29.045 -17.834 1.117 1.00 24.51 C ATOM 1242 CZ TYR A 79 28.453 -17.718 -0.122 1.00 4.42 C ATOM 1243 OH TYR A 79 27.908 -18.828 -0.728 1.00 34.25 O ATOM 0 H TYR A 79 30.661 -11.843 1.705 1.00 24.20 H new ATOM 0 HA TYR A 79 28.292 -13.232 1.425 1.00 50.40 H new ATOM 0 HB2 TYR A 79 30.888 -13.814 1.097 1.00 73.54 H new ATOM 0 HB3 TYR A 79 30.681 -14.566 2.666 1.00 73.54 H new ATOM 0 HD1 TYR A 79 28.910 -14.428 -0.648 1.00 50.21 H new ATOM 0 HD2 TYR A 79 30.053 -16.813 2.693 1.00 53.31 H new ATOM 0 HE1 TYR A 79 27.937 -16.407 -1.730 1.00 42.04 H new ATOM 0 HE2 TYR A 79 29.083 -18.793 1.613 1.00 24.51 H new ATOM 0 HH TYR A 79 28.028 -19.609 -0.149 1.00 34.25 H new ATOM 1253 N ASN A 80 29.180 -12.871 4.541 1.00 0.53 N ATOM 1254 CA ASN A 80 28.748 -13.054 5.922 1.00 13.25 C ATOM 1255 C ASN A 80 27.414 -12.358 6.171 1.00 73.40 C ATOM 1256 O ASN A 80 26.433 -12.993 6.563 1.00 23.24 O ATOM 1257 CB ASN A 80 29.806 -12.511 6.884 1.00 34.34 C ATOM 1258 CG ASN A 80 30.976 -13.462 7.054 1.00 12.15 C ATOM 1259 OD1 ASN A 80 30.820 -14.679 6.954 1.00 13.14 O ATOM 1260 ND2 ASN A 80 32.156 -12.909 7.313 1.00 43.35 N ATOM 0 H ASN A 80 29.984 -12.253 4.429 1.00 0.53 H new ATOM 0 HA ASN A 80 28.619 -14.122 6.098 1.00 13.25 H new ATOM 0 HB2 ASN A 80 30.171 -11.553 6.515 1.00 34.34 H new ATOM 0 HB3 ASN A 80 29.348 -12.325 7.856 1.00 34.34 H new ATOM 0 HD21 ASN A 80 32.979 -13.498 7.438 1.00 43.35 H new ATOM 0 HD22 ASN A 80 32.239 -11.895 7.387 1.00 43.35 H new ATOM 1267 N THR A 81 27.382 -11.049 5.942 1.00 1.02 N ATOM 1268 CA THR A 81 26.168 -10.268 6.142 1.00 1.54 C ATOM 1269 C THR A 81 25.040 -10.765 5.246 1.00 4.34 C ATOM 1270 O THR A 81 23.911 -10.952 5.700 1.00 44.31 O ATOM 1271 CB THR A 81 26.411 -8.773 5.862 1.00 4.51 C ATOM 1272 OG1 THR A 81 27.521 -8.303 6.633 1.00 2.14 O ATOM 1273 CG2 THR A 81 25.173 -7.952 6.193 1.00 32.42 C ATOM 0 H THR A 81 28.183 -10.507 5.618 1.00 1.02 H new ATOM 0 HA THR A 81 25.880 -10.393 7.186 1.00 1.54 H new ATOM 0 HB THR A 81 26.632 -8.657 4.801 1.00 4.51 H new ATOM 0 HG1 THR A 81 27.669 -7.352 6.447 1.00 2.14 H new ATOM 0 HG21 THR A 81 25.369 -6.900 5.987 1.00 32.42 H new ATOM 0 HG22 THR A 81 24.337 -8.292 5.582 1.00 32.42 H new ATOM 0 HG23 THR A 81 24.926 -8.076 7.247 1.00 32.42 H new ATOM 1281 N ILE A 82 25.353 -10.978 3.971 1.00 74.12 N ATOM 1282 CA ILE A 82 24.365 -11.456 3.013 1.00 51.54 C ATOM 1283 C ILE A 82 23.652 -12.700 3.531 1.00 63.23 C ATOM 1284 O ILE A 82 22.437 -12.836 3.392 1.00 2.34 O ATOM 1285 CB ILE A 82 25.009 -11.776 1.651 1.00 34.10 C ATOM 1286 CG1 ILE A 82 25.675 -10.526 1.072 1.00 42.42 C ATOM 1287 CG2 ILE A 82 23.968 -12.324 0.687 1.00 75.32 C ATOM 1288 CD1 ILE A 82 26.864 -10.830 0.187 1.00 62.12 C ATOM 0 H ILE A 82 26.282 -10.827 3.579 1.00 74.12 H new ATOM 0 HA ILE A 82 23.639 -10.653 2.883 1.00 51.54 H new ATOM 0 HB ILE A 82 25.774 -12.538 1.798 1.00 34.10 H new ATOM 0 HG12 ILE A 82 24.938 -9.965 0.497 1.00 42.42 H new ATOM 0 HG13 ILE A 82 25.997 -9.883 1.891 1.00 42.42 H new ATOM 0 HG21 ILE A 82 24.439 -12.545 -0.271 1.00 75.32 H new ATOM 0 HG22 ILE A 82 23.536 -13.237 1.098 1.00 75.32 H new ATOM 0 HG23 ILE A 82 23.181 -11.584 0.542 1.00 75.32 H new ATOM 0 HD11 ILE A 82 27.286 -9.898 -0.188 1.00 62.12 H new ATOM 0 HD12 ILE A 82 27.619 -11.364 0.763 1.00 62.12 H new ATOM 0 HD13 ILE A 82 26.544 -11.447 -0.653 1.00 62.12 H new ATOM 1300 N ALA A 83 24.418 -13.606 4.131 1.00 74.43 N ATOM 1301 CA ALA A 83 23.860 -14.839 4.674 1.00 14.23 C ATOM 1302 C ALA A 83 22.724 -14.545 5.648 1.00 13.03 C ATOM 1303 O ALA A 83 21.640 -15.117 5.545 1.00 43.51 O ATOM 1304 CB ALA A 83 24.947 -15.654 5.359 1.00 10.14 C ATOM 0 H ALA A 83 25.426 -13.509 4.253 1.00 74.43 H new ATOM 0 HA ALA A 83 23.453 -15.420 3.846 1.00 14.23 H new ATOM 0 HB1 ALA A 83 24.516 -16.572 5.760 1.00 10.14 H new ATOM 0 HB2 ALA A 83 25.724 -15.903 4.637 1.00 10.14 H new ATOM 0 HB3 ALA A 83 25.380 -15.072 6.172 1.00 10.14 H new ATOM 1310 N VAL A 84 22.981 -13.648 6.596 1.00 70.45 N ATOM 1311 CA VAL A 84 21.979 -13.278 7.590 1.00 21.21 C ATOM 1312 C VAL A 84 20.874 -12.432 6.967 1.00 12.12 C ATOM 1313 O VAL A 84 19.704 -12.555 7.330 1.00 42.10 O ATOM 1314 CB VAL A 84 22.611 -12.499 8.759 1.00 71.24 C ATOM 1315 CG1 VAL A 84 21.551 -12.128 9.786 1.00 34.04 C ATOM 1316 CG2 VAL A 84 23.724 -13.312 9.400 1.00 33.44 C ATOM 0 H VAL A 84 23.874 -13.165 6.696 1.00 70.45 H new ATOM 0 HA VAL A 84 21.551 -14.206 7.970 1.00 21.21 H new ATOM 0 HB VAL A 84 23.044 -11.578 8.369 1.00 71.24 H new ATOM 0 HG11 VAL A 84 22.015 -11.578 10.605 1.00 34.04 H new ATOM 0 HG12 VAL A 84 20.791 -11.505 9.315 1.00 34.04 H new ATOM 0 HG13 VAL A 84 21.087 -13.035 10.174 1.00 34.04 H new ATOM 0 HG21 VAL A 84 24.159 -12.747 10.224 1.00 33.44 H new ATOM 0 HG22 VAL A 84 23.318 -14.250 9.778 1.00 33.44 H new ATOM 0 HG23 VAL A 84 24.494 -13.523 8.658 1.00 33.44 H new ATOM 1326 N LEU A 85 21.253 -11.573 6.027 1.00 21.25 N ATOM 1327 CA LEU A 85 20.294 -10.705 5.352 1.00 75.22 C ATOM 1328 C LEU A 85 19.262 -11.526 4.585 1.00 21.45 C ATOM 1329 O LEU A 85 18.204 -11.021 4.213 1.00 54.24 O ATOM 1330 CB LEU A 85 21.020 -9.756 4.397 1.00 74.02 C ATOM 1331 CG LEU A 85 20.429 -8.351 4.270 1.00 30.42 C ATOM 1332 CD1 LEU A 85 21.514 -7.299 4.441 1.00 15.30 C ATOM 1333 CD2 LEU A 85 19.729 -8.186 2.929 1.00 32.23 C ATOM 0 H LEU A 85 22.217 -11.459 5.715 1.00 21.25 H new ATOM 0 HA LEU A 85 19.774 -10.120 6.111 1.00 75.22 H new ATOM 0 HB2 LEU A 85 22.056 -9.665 4.725 1.00 74.02 H new ATOM 0 HB3 LEU A 85 21.038 -10.212 3.407 1.00 74.02 H new ATOM 0 HG LEU A 85 19.691 -8.214 5.061 1.00 30.42 H new ATOM 0 HD11 LEU A 85 21.075 -6.305 4.348 1.00 15.30 H new ATOM 0 HD12 LEU A 85 21.970 -7.403 5.426 1.00 15.30 H new ATOM 0 HD13 LEU A 85 22.275 -7.433 3.673 1.00 15.30 H new ATOM 0 HD21 LEU A 85 19.315 -7.180 2.856 1.00 32.23 H new ATOM 0 HD22 LEU A 85 20.446 -8.342 2.123 1.00 32.23 H new ATOM 0 HD23 LEU A 85 18.925 -8.917 2.846 1.00 32.23 H new ATOM 1345 N TYR A 86 19.578 -12.795 4.354 1.00 24.45 N ATOM 1346 CA TYR A 86 18.680 -13.687 3.631 1.00 22.20 C ATOM 1347 C TYR A 86 17.764 -14.436 4.594 1.00 53.41 C ATOM 1348 O TYR A 86 16.545 -14.459 4.417 1.00 1.32 O ATOM 1349 CB TYR A 86 19.482 -14.686 2.793 1.00 71.03 C ATOM 1350 CG TYR A 86 18.623 -15.575 1.924 1.00 2.20 C ATOM 1351 CD1 TYR A 86 18.207 -15.157 0.666 1.00 1.52 C ATOM 1352 CD2 TYR A 86 18.227 -16.833 2.360 1.00 0.32 C ATOM 1353 CE1 TYR A 86 17.421 -15.967 -0.132 1.00 14.44 C ATOM 1354 CE2 TYR A 86 17.442 -17.649 1.569 1.00 22.23 C ATOM 1355 CZ TYR A 86 17.041 -17.212 0.323 1.00 53.11 C ATOM 1356 OH TYR A 86 16.259 -18.020 -0.468 1.00 22.23 O ATOM 0 H TYR A 86 20.450 -13.229 4.657 1.00 24.45 H new ATOM 0 HA TYR A 86 18.063 -13.080 2.968 1.00 22.20 H new ATOM 0 HB2 TYR A 86 20.180 -14.138 2.160 1.00 71.03 H new ATOM 0 HB3 TYR A 86 20.078 -15.310 3.459 1.00 71.03 H new ATOM 0 HD1 TYR A 86 18.503 -14.183 0.306 1.00 1.52 H new ATOM 0 HD2 TYR A 86 18.538 -17.179 3.335 1.00 0.32 H new ATOM 0 HE1 TYR A 86 17.106 -15.626 -1.107 1.00 14.44 H new ATOM 0 HE2 TYR A 86 17.143 -18.624 1.924 1.00 22.23 H new ATOM 0 HH TYR A 86 16.082 -18.863 -0.000 1.00 22.23 H new ATOM 1366 N CYS A 87 18.358 -15.045 5.613 1.00 14.53 N ATOM 1367 CA CYS A 87 17.597 -15.794 6.606 1.00 21.04 C ATOM 1368 C CYS A 87 16.521 -14.919 7.241 1.00 25.14 C ATOM 1369 O CYS A 87 15.517 -15.420 7.747 1.00 11.32 O ATOM 1370 CB CYS A 87 18.530 -16.342 7.688 1.00 41.23 C ATOM 1371 SG CYS A 87 19.065 -15.107 8.895 1.00 51.05 S ATOM 0 H CYS A 87 19.365 -15.035 5.774 1.00 14.53 H new ATOM 0 HA CYS A 87 17.110 -16.628 6.100 1.00 21.04 H new ATOM 0 HB2 CYS A 87 18.024 -17.152 8.213 1.00 41.23 H new ATOM 0 HB3 CYS A 87 19.410 -16.773 7.210 1.00 41.23 H new ATOM 0 HG CYS A 87 19.332 -13.991 8.284 1.00 51.05 H new ATOM 1377 N VAL A 88 16.739 -13.607 7.211 1.00 65.34 N ATOM 1378 CA VAL A 88 15.788 -12.663 7.783 1.00 55.53 C ATOM 1379 C VAL A 88 14.529 -12.564 6.930 1.00 12.13 C ATOM 1380 O VAL A 88 13.420 -12.444 7.451 1.00 54.24 O ATOM 1381 CB VAL A 88 16.409 -11.260 7.927 1.00 30.12 C ATOM 1382 CG1 VAL A 88 15.370 -10.264 8.420 1.00 65.01 C ATOM 1383 CG2 VAL A 88 17.607 -11.302 8.865 1.00 41.51 C ATOM 0 H VAL A 88 17.565 -13.175 6.797 1.00 65.34 H new ATOM 0 HA VAL A 88 15.524 -13.040 8.771 1.00 55.53 H new ATOM 0 HB VAL A 88 16.755 -10.932 6.947 1.00 30.12 H new ATOM 0 HG11 VAL A 88 15.827 -9.279 8.516 1.00 65.01 H new ATOM 0 HG12 VAL A 88 14.547 -10.215 7.707 1.00 65.01 H new ATOM 0 HG13 VAL A 88 14.991 -10.584 9.391 1.00 65.01 H new ATOM 0 HG21 VAL A 88 18.034 -10.303 8.955 1.00 41.51 H new ATOM 0 HG22 VAL A 88 17.288 -11.651 9.847 1.00 41.51 H new ATOM 0 HG23 VAL A 88 18.359 -11.983 8.465 1.00 41.51 H new ATOM 1393 N HIS A 89 14.707 -12.616 5.614 1.00 10.23 N ATOM 1394 CA HIS A 89 13.585 -12.533 4.685 1.00 51.14 C ATOM 1395 C HIS A 89 12.980 -13.913 4.441 1.00 0.25 C ATOM 1396 O HIS A 89 11.761 -13.976 4.291 1.00 3.25 O ATOM 1397 CB HIS A 89 14.036 -11.921 3.358 1.00 14.03 C ATOM 1398 CG HIS A 89 14.628 -10.551 3.502 1.00 42.04 C ATOM 1399 ND1 HIS A 89 14.133 -9.606 4.375 1.00 1.23 N ATOM 1400 CD2 HIS A 89 15.680 -9.972 2.878 1.00 33.22 C ATOM 1401 CE1 HIS A 89 14.855 -8.503 4.281 1.00 25.51 C ATOM 1402 NE2 HIS A 89 15.801 -8.699 3.379 1.00 63.52 N ATOM 0 H HIS A 89 15.618 -12.715 5.166 1.00 10.23 H new ATOM 0 HA HIS A 89 12.823 -11.893 5.131 1.00 51.14 H new ATOM 0 HB2 HIS A 89 14.771 -12.579 2.895 1.00 14.03 H new ATOM 0 HB3 HIS A 89 13.183 -11.870 2.682 1.00 14.03 H new ATOM 0 HD1 HIS A 89 13.335 -9.737 4.996 1.00 1.23 H new ATOM 0 HD2 HIS A 89 16.308 -10.427 2.126 1.00 33.22 H new ATOM 0 HE1 HIS A 89 14.699 -7.596 4.845 1.00 25.51 H new ATOM 1411 N GLN A 90 13.772 -14.980 4.400 1.00 3.25 N ATOM 1412 CA GLN A 90 13.240 -16.318 4.169 1.00 54.30 C ATOM 1413 C GLN A 90 12.851 -16.984 5.485 1.00 15.13 C ATOM 1414 O GLN A 90 12.249 -18.058 5.495 1.00 52.41 O ATOM 1415 CB GLN A 90 14.267 -17.179 3.432 1.00 11.40 C ATOM 1416 CG GLN A 90 13.892 -17.470 1.988 1.00 25.43 C ATOM 1417 CD GLN A 90 12.734 -18.442 1.871 1.00 24.13 C ATOM 1418 OE1 GLN A 90 11.716 -18.296 2.546 1.00 53.14 O ATOM 1419 NE2 GLN A 90 12.886 -19.442 1.010 1.00 63.45 N ATOM 0 H GLN A 90 14.784 -14.944 4.524 1.00 3.25 H new ATOM 0 HA GLN A 90 12.346 -16.224 3.552 1.00 54.30 H new ATOM 0 HB2 GLN A 90 15.233 -16.675 3.453 1.00 11.40 H new ATOM 0 HB3 GLN A 90 14.387 -18.122 3.965 1.00 11.40 H new ATOM 0 HG2 GLN A 90 13.630 -16.537 1.489 1.00 25.43 H new ATOM 0 HG3 GLN A 90 14.758 -17.878 1.467 1.00 25.43 H new ATOM 0 HE21 GLN A 90 13.748 -19.524 0.471 1.00 63.45 H new ATOM 0 HE22 GLN A 90 12.141 -20.128 0.888 1.00 63.45 H new ATOM 1428 N ARG A 91 13.199 -16.339 6.594 1.00 33.25 N ATOM 1429 CA ARG A 91 12.889 -16.870 7.916 1.00 63.20 C ATOM 1430 C ARG A 91 13.613 -18.191 8.155 1.00 10.11 C ATOM 1431 O ARG A 91 13.014 -19.167 8.609 1.00 55.43 O ATOM 1432 CB ARG A 91 11.380 -17.069 8.066 1.00 61.24 C ATOM 1433 CG ARG A 91 10.877 -16.866 9.487 1.00 44.10 C ATOM 1434 CD ARG A 91 9.399 -17.200 9.608 1.00 42.12 C ATOM 1435 NE ARG A 91 8.577 -16.002 9.760 1.00 2.45 N ATOM 1436 CZ ARG A 91 7.281 -16.030 10.043 1.00 64.44 C ATOM 1437 NH1 ARG A 91 6.659 -17.190 10.206 1.00 4.14 N ATOM 1438 NH2 ARG A 91 6.601 -14.897 10.165 1.00 74.12 N ATOM 0 H ARG A 91 13.696 -15.448 6.603 1.00 33.25 H new ATOM 0 HA ARG A 91 13.230 -16.149 8.659 1.00 63.20 H new ATOM 0 HB2 ARG A 91 10.863 -16.375 7.404 1.00 61.24 H new ATOM 0 HB3 ARG A 91 11.120 -18.076 7.738 1.00 61.24 H new ATOM 0 HG2 ARG A 91 11.450 -17.493 10.170 1.00 44.10 H new ATOM 0 HG3 ARG A 91 11.043 -15.832 9.789 1.00 44.10 H new ATOM 0 HD2 ARG A 91 9.078 -17.750 8.723 1.00 42.12 H new ATOM 0 HD3 ARG A 91 9.245 -17.856 10.464 1.00 42.12 H new ATOM 0 HE ARG A 91 9.024 -15.093 9.642 1.00 2.45 H new ATOM 0 HH11 ARG A 91 7.177 -18.064 10.114 1.00 4.14 H new ATOM 0 HH12 ARG A 91 5.663 -17.208 10.424 1.00 4.14 H new ATOM 0 HH21 ARG A 91 7.075 -14.002 10.041 1.00 74.12 H new ATOM 0 HH22 ARG A 91 5.605 -14.921 10.383 1.00 74.12 H new ATOM 1452 N ILE A 92 14.905 -18.216 7.846 1.00 73.31 N ATOM 1453 CA ILE A 92 15.711 -19.417 8.029 1.00 11.24 C ATOM 1454 C ILE A 92 16.341 -19.451 9.418 1.00 1.31 C ATOM 1455 O ILE A 92 17.135 -18.580 9.771 1.00 75.11 O ATOM 1456 CB ILE A 92 16.826 -19.513 6.970 1.00 61.13 C ATOM 1457 CG1 ILE A 92 16.222 -19.546 5.564 1.00 32.40 C ATOM 1458 CG2 ILE A 92 17.682 -20.746 7.213 1.00 73.33 C ATOM 1459 CD1 ILE A 92 17.165 -19.050 4.490 1.00 71.41 C ATOM 0 H ILE A 92 15.416 -17.418 7.468 1.00 73.31 H new ATOM 0 HA ILE A 92 15.039 -20.268 7.917 1.00 11.24 H new ATOM 0 HB ILE A 92 17.462 -18.631 7.052 1.00 61.13 H new ATOM 0 HG12 ILE A 92 15.922 -20.568 5.330 1.00 32.40 H new ATOM 0 HG13 ILE A 92 15.318 -18.938 5.551 1.00 32.40 H new ATOM 0 HG21 ILE A 92 18.465 -20.800 6.457 1.00 73.33 H new ATOM 0 HG22 ILE A 92 18.136 -20.685 8.202 1.00 73.33 H new ATOM 0 HG23 ILE A 92 17.059 -21.639 7.155 1.00 73.33 H new ATOM 0 HD11 ILE A 92 16.671 -19.102 3.520 1.00 71.41 H new ATOM 0 HD12 ILE A 92 17.445 -18.018 4.700 1.00 71.41 H new ATOM 0 HD13 ILE A 92 18.059 -19.673 4.475 1.00 71.41 H new ATOM 1471 N ASP A 93 15.981 -20.463 10.199 1.00 71.32 N ATOM 1472 CA ASP A 93 16.512 -20.613 11.549 1.00 20.42 C ATOM 1473 C ASP A 93 18.037 -20.581 11.539 1.00 14.23 C ATOM 1474 O ASP A 93 18.681 -21.367 10.844 1.00 73.33 O ATOM 1475 CB ASP A 93 16.022 -21.921 12.170 1.00 24.52 C ATOM 1476 CG ASP A 93 14.526 -22.113 12.012 1.00 72.22 C ATOM 1477 OD1 ASP A 93 13.762 -21.383 12.676 1.00 52.14 O ATOM 1478 OD2 ASP A 93 14.121 -22.993 11.225 1.00 43.55 O ATOM 0 H ASP A 93 15.324 -21.192 9.921 1.00 71.32 H new ATOM 0 HA ASP A 93 16.152 -19.777 12.149 1.00 20.42 H new ATOM 0 HB2 ASP A 93 16.544 -22.758 11.706 1.00 24.52 H new ATOM 0 HB3 ASP A 93 16.277 -21.935 13.230 1.00 24.52 H new ATOM 1483 N VAL A 94 18.610 -19.664 12.314 1.00 5.45 N ATOM 1484 CA VAL A 94 20.059 -19.529 12.394 1.00 71.53 C ATOM 1485 C VAL A 94 20.486 -18.994 13.757 1.00 24.54 C ATOM 1486 O VAL A 94 19.685 -18.409 14.485 1.00 73.43 O ATOM 1487 CB VAL A 94 20.597 -18.592 11.296 1.00 75.41 C ATOM 1488 CG1 VAL A 94 20.361 -19.192 9.919 1.00 70.52 C ATOM 1489 CG2 VAL A 94 19.953 -17.219 11.406 1.00 15.23 C ATOM 0 H VAL A 94 18.092 -19.004 12.895 1.00 5.45 H new ATOM 0 HA VAL A 94 20.478 -20.525 12.249 1.00 71.53 H new ATOM 0 HB VAL A 94 21.672 -18.476 11.436 1.00 75.41 H new ATOM 0 HG11 VAL A 94 20.748 -18.516 9.156 1.00 70.52 H new ATOM 0 HG12 VAL A 94 20.874 -20.151 9.847 1.00 70.52 H new ATOM 0 HG13 VAL A 94 19.292 -19.340 9.765 1.00 70.52 H new ATOM 0 HG21 VAL A 94 20.344 -16.570 10.623 1.00 15.23 H new ATOM 0 HG22 VAL A 94 18.873 -17.314 11.293 1.00 15.23 H new ATOM 0 HG23 VAL A 94 20.179 -16.788 12.381 1.00 15.23 H new ATOM 1499 N LYS A 95 21.755 -19.200 14.095 1.00 53.42 N ATOM 1500 CA LYS A 95 22.292 -18.738 15.370 1.00 54.24 C ATOM 1501 C LYS A 95 23.379 -17.690 15.156 1.00 43.22 C ATOM 1502 O LYS A 95 23.628 -16.854 16.025 1.00 4.34 O ATOM 1503 CB LYS A 95 22.855 -19.917 16.167 1.00 42.43 C ATOM 1504 CG LYS A 95 22.696 -19.766 17.670 1.00 63.23 C ATOM 1505 CD LYS A 95 22.122 -21.025 18.298 1.00 30.43 C ATOM 1506 CE LYS A 95 23.206 -22.060 18.563 1.00 74.22 C ATOM 1507 NZ LYS A 95 23.446 -22.251 20.020 1.00 14.24 N ATOM 0 H LYS A 95 22.431 -19.684 13.504 1.00 53.42 H new ATOM 0 HA LYS A 95 21.478 -18.281 15.934 1.00 54.24 H new ATOM 0 HB2 LYS A 95 22.356 -20.832 15.847 1.00 42.43 H new ATOM 0 HB3 LYS A 95 23.913 -20.032 15.932 1.00 42.43 H new ATOM 0 HG2 LYS A 95 23.664 -19.543 18.119 1.00 63.23 H new ATOM 0 HG3 LYS A 95 22.043 -18.920 17.885 1.00 63.23 H new ATOM 0 HD2 LYS A 95 21.623 -20.771 19.233 1.00 30.43 H new ATOM 0 HD3 LYS A 95 21.365 -21.450 17.638 1.00 30.43 H new ATOM 0 HE2 LYS A 95 22.918 -23.011 18.115 1.00 74.22 H new ATOM 0 HE3 LYS A 95 24.132 -21.748 18.080 1.00 74.22 H new ATOM 0 HZ1 LYS A 95 24.191 -22.963 20.159 1.00 14.24 H new ATOM 0 HZ2 LYS A 95 23.746 -21.350 20.444 1.00 14.24 H new ATOM 0 HZ3 LYS A 95 22.569 -22.574 20.477 1.00 14.24 H new ATOM 1521 N ASP A 96 24.020 -17.739 13.993 1.00 71.15 N ATOM 1522 CA ASP A 96 25.078 -16.793 13.663 1.00 34.24 C ATOM 1523 C ASP A 96 25.295 -16.722 12.155 1.00 44.25 C ATOM 1524 O ASP A 96 24.574 -17.356 11.383 1.00 51.14 O ATOM 1525 CB ASP A 96 26.382 -17.189 14.359 1.00 54.44 C ATOM 1526 CG ASP A 96 26.656 -18.677 14.271 1.00 32.20 C ATOM 1527 OD1 ASP A 96 27.090 -19.139 13.194 1.00 55.43 O ATOM 1528 OD2 ASP A 96 26.437 -19.381 15.279 1.00 2.21 O ATOM 0 H ASP A 96 23.825 -18.424 13.263 1.00 71.15 H new ATOM 0 HA ASP A 96 24.771 -15.808 14.015 1.00 34.24 H new ATOM 0 HB2 ASP A 96 27.211 -16.643 13.909 1.00 54.44 H new ATOM 0 HB3 ASP A 96 26.336 -16.892 15.407 1.00 54.44 H new ATOM 1533 N THR A 97 26.290 -15.946 11.740 1.00 3.24 N ATOM 1534 CA THR A 97 26.600 -15.790 10.324 1.00 63.23 C ATOM 1535 C THR A 97 27.022 -17.117 9.705 1.00 4.22 C ATOM 1536 O THR A 97 26.695 -17.410 8.554 1.00 50.22 O ATOM 1537 CB THR A 97 27.718 -14.754 10.103 1.00 61.23 C ATOM 1538 OG1 THR A 97 27.321 -13.484 10.633 1.00 45.13 O ATOM 1539 CG2 THR A 97 28.042 -14.614 8.623 1.00 71.22 C ATOM 0 H THR A 97 26.896 -15.415 12.365 1.00 3.24 H new ATOM 0 HA THR A 97 25.690 -15.438 9.838 1.00 63.23 H new ATOM 0 HB THR A 97 28.612 -15.100 10.622 1.00 61.23 H new ATOM 0 HG1 THR A 97 26.348 -13.392 10.566 1.00 45.13 H new ATOM 0 HG21 THR A 97 28.834 -13.877 8.492 1.00 71.22 H new ATOM 0 HG22 THR A 97 28.373 -15.576 8.230 1.00 71.22 H new ATOM 0 HG23 THR A 97 27.152 -14.289 8.085 1.00 71.22 H new ATOM 1547 N LYS A 98 27.751 -17.918 10.474 1.00 62.23 N ATOM 1548 CA LYS A 98 28.218 -19.216 10.002 1.00 61.14 C ATOM 1549 C LYS A 98 27.043 -20.151 9.728 1.00 34.30 C ATOM 1550 O LYS A 98 26.988 -20.804 8.687 1.00 20.23 O ATOM 1551 CB LYS A 98 29.156 -19.849 11.032 1.00 25.34 C ATOM 1552 CG LYS A 98 30.382 -20.504 10.416 1.00 55.03 C ATOM 1553 CD LYS A 98 30.831 -21.712 11.221 1.00 12.10 C ATOM 1554 CE LYS A 98 32.276 -21.572 11.676 1.00 41.11 C ATOM 1555 NZ LYS A 98 32.737 -22.767 12.434 1.00 62.33 N ATOM 0 H LYS A 98 28.032 -17.691 11.428 1.00 62.23 H new ATOM 0 HA LYS A 98 28.762 -19.061 9.070 1.00 61.14 H new ATOM 0 HB2 LYS A 98 29.479 -19.083 11.736 1.00 25.34 H new ATOM 0 HB3 LYS A 98 28.604 -20.595 11.604 1.00 25.34 H new ATOM 0 HG2 LYS A 98 30.158 -20.809 9.394 1.00 55.03 H new ATOM 0 HG3 LYS A 98 31.194 -19.779 10.361 1.00 55.03 H new ATOM 0 HD2 LYS A 98 30.185 -21.832 12.090 1.00 12.10 H new ATOM 0 HD3 LYS A 98 30.724 -22.613 10.617 1.00 12.10 H new ATOM 0 HE2 LYS A 98 32.917 -21.423 10.807 1.00 41.11 H new ATOM 0 HE3 LYS A 98 32.375 -20.685 12.301 1.00 41.11 H new ATOM 0 HZ1 LYS A 98 33.726 -22.632 12.726 1.00 62.33 H new ATOM 0 HZ2 LYS A 98 32.141 -22.895 13.277 1.00 62.33 H new ATOM 0 HZ3 LYS A 98 32.666 -23.610 11.829 1.00 62.33 H new ATOM 1569 N GLU A 99 26.105 -20.207 10.669 1.00 13.44 N ATOM 1570 CA GLU A 99 24.932 -21.060 10.528 1.00 43.54 C ATOM 1571 C GLU A 99 24.135 -20.686 9.281 1.00 41.12 C ATOM 1572 O GLU A 99 23.790 -21.546 8.471 1.00 5.53 O ATOM 1573 CB GLU A 99 24.042 -20.951 11.767 1.00 71.13 C ATOM 1574 CG GLU A 99 23.424 -22.273 12.191 1.00 25.00 C ATOM 1575 CD GLU A 99 24.363 -23.112 13.035 1.00 23.03 C ATOM 1576 OE1 GLU A 99 25.580 -22.832 13.026 1.00 22.34 O ATOM 1577 OE2 GLU A 99 23.881 -24.050 13.704 1.00 72.11 O ATOM 0 H GLU A 99 26.135 -19.672 11.537 1.00 13.44 H new ATOM 0 HA GLU A 99 25.274 -22.090 10.425 1.00 43.54 H new ATOM 0 HB2 GLU A 99 24.631 -20.553 12.593 1.00 71.13 H new ATOM 0 HB3 GLU A 99 23.245 -20.234 11.570 1.00 71.13 H new ATOM 0 HG2 GLU A 99 22.511 -22.079 12.754 1.00 25.00 H new ATOM 0 HG3 GLU A 99 23.137 -22.837 11.303 1.00 25.00 H new ATOM 1584 N ALA A 100 23.843 -19.397 9.137 1.00 3.23 N ATOM 1585 CA ALA A 100 23.088 -18.908 7.989 1.00 24.31 C ATOM 1586 C ALA A 100 23.790 -19.257 6.681 1.00 2.12 C ATOM 1587 O ALA A 100 23.155 -19.357 5.631 1.00 3.51 O ATOM 1588 CB ALA A 100 22.881 -17.405 8.095 1.00 71.42 C ATOM 0 H ALA A 100 24.118 -18.673 9.801 1.00 3.23 H new ATOM 0 HA ALA A 100 22.115 -19.398 7.990 1.00 24.31 H new ATOM 0 HB1 ALA A 100 22.316 -17.054 7.232 1.00 71.42 H new ATOM 0 HB2 ALA A 100 22.329 -17.177 9.007 1.00 71.42 H new ATOM 0 HB3 ALA A 100 23.849 -16.905 8.123 1.00 71.42 H new ATOM 1594 N LEU A 101 25.105 -19.439 6.751 1.00 52.35 N ATOM 1595 CA LEU A 101 25.894 -19.776 5.571 1.00 13.54 C ATOM 1596 C LEU A 101 25.614 -21.204 5.118 1.00 24.23 C ATOM 1597 O LEU A 101 25.487 -21.474 3.924 1.00 62.04 O ATOM 1598 CB LEU A 101 27.385 -19.604 5.865 1.00 10.22 C ATOM 1599 CG LEU A 101 28.259 -19.189 4.681 1.00 32.24 C ATOM 1600 CD1 LEU A 101 28.212 -20.244 3.587 1.00 73.31 C ATOM 1601 CD2 LEU A 101 27.817 -17.837 4.140 1.00 1.15 C ATOM 0 H LEU A 101 25.646 -19.359 7.612 1.00 52.35 H new ATOM 0 HA LEU A 101 25.608 -19.098 4.767 1.00 13.54 H new ATOM 0 HB2 LEU A 101 27.496 -18.858 6.652 1.00 10.22 H new ATOM 0 HB3 LEU A 101 27.768 -20.545 6.261 1.00 10.22 H new ATOM 0 HG LEU A 101 29.289 -19.100 5.028 1.00 32.24 H new ATOM 0 HD11 LEU A 101 28.840 -19.931 2.753 1.00 73.31 H new ATOM 0 HD12 LEU A 101 28.577 -21.193 3.980 1.00 73.31 H new ATOM 0 HD13 LEU A 101 27.185 -20.365 3.243 1.00 73.31 H new ATOM 0 HD21 LEU A 101 28.450 -17.557 3.298 1.00 1.15 H new ATOM 0 HD22 LEU A 101 26.780 -17.899 3.810 1.00 1.15 H new ATOM 0 HD23 LEU A 101 27.904 -17.085 4.924 1.00 1.15 H new ATOM 1613 N ASP A 102 25.519 -22.117 6.080 1.00 34.14 N ATOM 1614 CA ASP A 102 25.252 -23.518 5.780 1.00 61.45 C ATOM 1615 C ASP A 102 23.800 -23.715 5.354 1.00 34.11 C ATOM 1616 O ASP A 102 23.513 -24.454 4.413 1.00 70.01 O ATOM 1617 CB ASP A 102 25.561 -24.390 6.998 1.00 34.24 C ATOM 1618 CG ASP A 102 25.871 -25.825 6.619 1.00 55.34 C ATOM 1619 OD1 ASP A 102 26.659 -26.032 5.673 1.00 62.21 O ATOM 1620 OD2 ASP A 102 25.325 -26.740 7.269 1.00 70.32 O ATOM 0 H ASP A 102 25.623 -21.911 7.074 1.00 34.14 H new ATOM 0 HA ASP A 102 25.898 -23.817 4.955 1.00 61.45 H new ATOM 0 HB2 ASP A 102 26.409 -23.968 7.537 1.00 34.24 H new ATOM 0 HB3 ASP A 102 24.710 -24.373 7.679 1.00 34.24 H new ATOM 1625 N LYS A 103 22.888 -23.050 6.055 1.00 13.32 N ATOM 1626 CA LYS A 103 21.466 -23.151 5.750 1.00 52.01 C ATOM 1627 C LYS A 103 21.187 -22.732 4.311 1.00 43.51 C ATOM 1628 O LYS A 103 20.209 -23.173 3.705 1.00 2.04 O ATOM 1629 CB LYS A 103 20.654 -22.279 6.712 1.00 43.24 C ATOM 1630 CG LYS A 103 19.898 -23.075 7.762 1.00 52.45 C ATOM 1631 CD LYS A 103 20.837 -23.921 8.604 1.00 41.21 C ATOM 1632 CE LYS A 103 20.568 -25.407 8.418 1.00 42.54 C ATOM 1633 NZ LYS A 103 19.363 -25.850 9.175 1.00 5.04 N ATOM 0 H LYS A 103 23.109 -22.435 6.838 1.00 13.32 H new ATOM 0 HA LYS A 103 21.167 -24.192 5.871 1.00 52.01 H new ATOM 0 HB2 LYS A 103 21.326 -21.581 7.211 1.00 43.24 H new ATOM 0 HB3 LYS A 103 19.944 -21.684 6.138 1.00 43.24 H new ATOM 0 HG2 LYS A 103 19.344 -22.393 8.407 1.00 52.45 H new ATOM 0 HG3 LYS A 103 19.166 -23.719 7.274 1.00 52.45 H new ATOM 0 HD2 LYS A 103 21.869 -23.700 8.332 1.00 41.21 H new ATOM 0 HD3 LYS A 103 20.721 -23.658 9.655 1.00 41.21 H new ATOM 0 HE2 LYS A 103 20.431 -25.622 7.358 1.00 42.54 H new ATOM 0 HE3 LYS A 103 21.436 -25.978 8.749 1.00 42.54 H new ATOM 0 HZ1 LYS A 103 19.212 -26.868 9.023 1.00 5.04 H new ATOM 0 HZ2 LYS A 103 19.504 -25.668 10.189 1.00 5.04 H new ATOM 0 HZ3 LYS A 103 18.530 -25.323 8.841 1.00 5.04 H new ATOM 1647 N ILE A 104 22.051 -21.881 3.768 1.00 62.23 N ATOM 1648 CA ILE A 104 21.898 -21.406 2.399 1.00 43.32 C ATOM 1649 C ILE A 104 22.793 -22.187 1.442 1.00 71.41 C ATOM 1650 O ILE A 104 22.491 -22.311 0.257 1.00 5.40 O ATOM 1651 CB ILE A 104 22.227 -19.906 2.283 1.00 62.32 C ATOM 1652 CG1 ILE A 104 21.325 -19.091 3.210 1.00 53.42 C ATOM 1653 CG2 ILE A 104 22.075 -19.440 0.842 1.00 21.35 C ATOM 1654 CD1 ILE A 104 21.778 -17.658 3.388 1.00 61.13 C ATOM 0 H ILE A 104 22.865 -21.506 4.256 1.00 62.23 H new ATOM 0 HA ILE A 104 20.854 -21.563 2.126 1.00 43.32 H new ATOM 0 HB ILE A 104 23.262 -19.752 2.587 1.00 62.32 H new ATOM 0 HG12 ILE A 104 20.310 -19.096 2.813 1.00 53.42 H new ATOM 0 HG13 ILE A 104 21.288 -19.576 4.186 1.00 53.42 H new ATOM 0 HG21 ILE A 104 22.311 -18.378 0.776 1.00 21.35 H new ATOM 0 HG22 ILE A 104 22.756 -20.003 0.204 1.00 21.35 H new ATOM 0 HG23 ILE A 104 21.049 -19.605 0.513 1.00 21.35 H new ATOM 0 HD11 ILE A 104 21.092 -17.140 4.058 1.00 61.13 H new ATOM 0 HD12 ILE A 104 22.781 -17.644 3.814 1.00 61.13 H new ATOM 0 HD13 ILE A 104 21.788 -17.157 2.420 1.00 61.13 H new