USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 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 8 GLN : amide:sc= -1.5! K(o=-2.3!,f=-0.98) USER MOD Set 1.2: A 67 MET CE :methyl 170:sc= -0.829 (180deg=-1.05) USER MOD Single : A 4 SER OG : rot 31:sc= 0.122 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.15) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 TYR OH : rot -158:sc= -1.18 USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.849) USER MOD Single : A 61 ASN : amide:sc= -0.739 K(o=-0.74,f=-0.18) USER MOD Single : A 63 SER OG : rot 180:sc= -0.147 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 69 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 71 SER OG : rot 43:sc= 0.0857 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 9.860 -5.185 -0.109 1.00 71.02 N ATOM 39 CA SER A 4 9.972 -6.499 0.484 1.00 42.34 C ATOM 40 C SER A 4 10.913 -6.437 1.676 1.00 25.41 C ATOM 41 O SER A 4 12.134 -6.515 1.527 1.00 72.11 O ATOM 42 CB SER A 4 10.478 -7.506 -0.547 1.00 74.12 C ATOM 43 OG SER A 4 9.655 -7.501 -1.702 1.00 34.13 O ATOM 0 HA SER A 4 8.989 -6.826 0.823 1.00 42.34 H new ATOM 0 HB2 SER A 4 11.504 -7.264 -0.825 1.00 74.12 H new ATOM 0 HB3 SER A 4 10.493 -8.504 -0.110 1.00 74.12 H new ATOM 0 HG SER A 4 9.283 -6.604 -1.835 1.00 34.13 H new ATOM 49 N GLU A 5 10.339 -6.296 2.858 1.00 73.11 N ATOM 50 CA GLU A 5 11.118 -6.179 4.075 1.00 2.22 C ATOM 51 C GLU A 5 10.694 -7.260 5.054 1.00 63.11 C ATOM 52 O GLU A 5 9.557 -7.266 5.531 1.00 33.12 O ATOM 53 CB GLU A 5 10.932 -4.797 4.715 1.00 74.03 C ATOM 54 CG GLU A 5 11.250 -3.628 3.788 1.00 3.23 C ATOM 55 CD GLU A 5 12.680 -3.628 3.283 1.00 61.35 C ATOM 56 OE1 GLU A 5 13.611 -3.468 4.100 1.00 21.51 O ATOM 57 OE2 GLU A 5 12.884 -3.759 2.057 1.00 22.25 O1- ATOM 0 H GLU A 5 9.330 -6.260 2.999 1.00 73.11 H new ATOM 0 HA GLU A 5 12.172 -6.301 3.825 1.00 2.22 H new ATOM 0 HB2 GLU A 5 9.901 -4.704 5.058 1.00 74.03 H new ATOM 0 HB3 GLU A 5 11.569 -4.729 5.597 1.00 74.03 H new ATOM 0 HG2 GLU A 5 10.572 -3.656 2.935 1.00 3.23 H new ATOM 0 HG3 GLU A 5 11.060 -2.694 4.316 1.00 3.23 H new ATOM 64 N GLY A 6 11.588 -8.192 5.316 1.00 13.15 N ATOM 65 CA GLY A 6 11.291 -9.253 6.249 1.00 42.42 C ATOM 66 C GLY A 6 12.546 -9.915 6.761 1.00 52.24 C ATOM 67 O GLY A 6 13.617 -9.763 6.174 1.00 3.43 O ATOM 0 H GLY A 6 12.518 -8.234 4.899 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.724 -8.851 7.088 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.659 -9.997 5.764 1.00 42.42 H new ATOM 71 N CYS A 7 12.420 -10.647 7.848 1.00 10.20 N ATOM 72 CA CYS A 7 13.548 -11.368 8.406 1.00 70.11 C ATOM 73 C CYS A 7 13.714 -12.706 7.699 1.00 4.44 C ATOM 74 O CYS A 7 12.740 -13.420 7.476 1.00 72.14 O ATOM 75 CB CYS A 7 13.348 -11.571 9.903 1.00 4.33 C ATOM 76 SG CYS A 7 13.175 -10.018 10.835 1.00 21.12 S ATOM 0 H CYS A 7 11.547 -10.759 8.364 1.00 10.20 H new ATOM 0 HA CYS A 7 14.456 -10.784 8.255 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.459 -12.181 10.062 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.194 -12.131 10.301 1.00 4.33 H new ATOM 81 N GLN A 8 14.947 -13.032 7.336 1.00 15.12 N ATOM 82 CA GLN A 8 15.225 -14.247 6.580 1.00 64.14 C ATOM 83 C GLN A 8 15.194 -15.484 7.473 1.00 64.22 C ATOM 84 O GLN A 8 14.998 -15.390 8.689 1.00 1.10 O ATOM 85 CB GLN A 8 16.593 -14.157 5.902 1.00 50.41 C ATOM 86 CG GLN A 8 17.754 -14.093 6.886 1.00 43.35 C ATOM 87 CD GLN A 8 19.093 -14.467 6.268 1.00 51.10 C ATOM 88 OE1 GLN A 8 20.137 -13.952 6.671 1.00 41.23 O ATOM 89 NE2 GLN A 8 19.086 -15.388 5.312 1.00 23.50 N ATOM 0 H GLN A 8 15.772 -12.472 7.553 1.00 15.12 H new ATOM 0 HA GLN A 8 14.444 -14.340 5.825 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.725 -15.022 5.252 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.617 -13.273 5.265 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.820 -13.084 7.293 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.549 -14.762 7.722 1.00 43.35 H new ATOM 0 HE21 GLN A 8 18.203 -15.794 5.002 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.963 -15.689 4.888 1.00 23.50 H new ATOM 98 N ILE A 9 15.426 -16.636 6.852 1.00 54.54 N ATOM 99 CA ILE A 9 15.470 -17.910 7.557 1.00 64.42 C ATOM 100 C ILE A 9 16.881 -18.183 8.069 1.00 73.43 C ATOM 101 O ILE A 9 17.834 -18.270 7.292 1.00 71.43 O ATOM 102 CB ILE A 9 15.032 -19.074 6.632 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.574 -18.901 6.200 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.229 -20.426 7.311 1.00 60.45 C ATOM 105 CD1 ILE A 9 13.071 -20.022 5.315 1.00 23.41 C ATOM 0 H ILE A 9 15.588 -16.712 5.848 1.00 54.54 H new ATOM 0 HA ILE A 9 14.779 -17.848 8.398 1.00 64.42 H new ATOM 0 HB ILE A 9 15.664 -19.048 5.744 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.945 -18.839 7.088 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.470 -17.955 5.669 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.913 -21.222 6.636 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.282 -20.558 7.559 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.633 -20.465 8.223 1.00 60.45 H new ATOM 0 HD11 ILE A 9 12.031 -19.835 5.047 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.676 -20.071 4.410 1.00 23.41 H new ATOM 0 HD13 ILE A 9 13.143 -20.969 5.851 1.00 23.41 H new ATOM 117 N ILE A 10 17.006 -18.303 9.384 1.00 1.44 N ATOM 118 CA ILE A 10 18.287 -18.601 10.004 1.00 53.14 C ATOM 119 C ILE A 10 18.550 -20.102 9.961 1.00 15.30 C ATOM 120 O ILE A 10 17.679 -20.901 10.306 1.00 44.43 O ATOM 121 CB ILE A 10 18.332 -18.119 11.473 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.060 -16.616 11.552 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.678 -18.454 12.108 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.019 -16.078 12.967 1.00 42.33 C ATOM 0 H ILE A 10 16.233 -18.198 10.042 1.00 1.44 H new ATOM 0 HA ILE A 10 19.057 -18.071 9.443 1.00 53.14 H new ATOM 0 HB ILE A 10 17.553 -18.640 12.029 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.832 -16.086 10.994 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.109 -16.402 11.064 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.689 -18.107 13.141 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.832 -19.533 12.086 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.476 -17.962 11.551 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.822 -15.006 12.943 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.228 -16.580 13.524 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.977 -16.260 13.453 1.00 42.33 H new ATOM 136 N HIS A 11 19.740 -20.480 9.523 1.00 11.24 N ATOM 137 CA HIS A 11 20.114 -21.891 9.471 1.00 24.14 C ATOM 138 C HIS A 11 20.628 -22.333 10.833 1.00 73.03 C ATOM 139 O HIS A 11 21.633 -21.807 11.314 1.00 11.43 O ATOM 140 CB HIS A 11 21.193 -22.139 8.411 1.00 24.23 C ATOM 141 CG HIS A 11 20.791 -21.756 7.019 1.00 51.10 C ATOM 142 ND1 HIS A 11 20.217 -22.633 6.124 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.897 -20.576 6.365 1.00 73.31 C ATOM 144 CE1 HIS A 11 19.988 -22.010 4.983 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.392 -20.758 5.101 1.00 32.35 N ATOM 0 H HIS A 11 20.462 -19.837 9.199 1.00 11.24 H new ATOM 0 HA HIS A 11 19.230 -22.469 9.202 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.089 -21.581 8.684 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.460 -23.196 8.422 1.00 24.23 H new ATOM 0 HD2 HIS A 11 21.304 -19.659 6.764 1.00 73.31 H new ATOM 0 HE1 HIS A 11 19.545 -22.450 4.102 1.00 41.44 H new ATOM 0 HE2 HIS A 11 20.338 -20.045 4.374 1.00 32.35 H new ATOM 154 N PRO A 12 19.941 -23.301 11.472 1.00 62.10 N ATOM 155 CA PRO A 12 20.310 -23.797 12.805 1.00 31.33 C ATOM 156 C PRO A 12 21.762 -24.267 12.863 1.00 62.52 C ATOM 157 O PRO A 12 22.119 -25.282 12.263 1.00 11.24 O ATOM 158 CB PRO A 12 19.355 -24.974 13.029 1.00 52.40 C ATOM 159 CG PRO A 12 18.194 -24.703 12.136 1.00 51.45 C ATOM 160 CD PRO A 12 18.754 -23.992 10.936 1.00 4.22 C ATOM 0 HA PRO A 12 20.230 -23.020 13.566 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.832 -25.922 12.780 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.045 -25.038 14.072 1.00 52.40 H new ATOM 0 HG2 PRO A 12 17.700 -25.630 11.845 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.448 -24.089 12.641 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.020 -24.691 10.143 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.036 -23.289 10.514 1.00 4.22 H new ATOM 168 N PRO A 13 22.616 -23.518 13.578 1.00 72.42 N ATOM 169 CA PRO A 13 24.052 -23.802 13.656 1.00 11.03 C ATOM 170 C PRO A 13 24.348 -25.077 14.439 1.00 21.12 C ATOM 171 O PRO A 13 24.971 -26.007 13.929 1.00 10.42 O ATOM 172 CB PRO A 13 24.630 -22.579 14.390 1.00 63.12 C ATOM 173 CG PRO A 13 23.538 -21.562 14.405 1.00 12.24 C ATOM 174 CD PRO A 13 22.253 -22.332 14.362 1.00 11.22 C ATOM 0 HA PRO A 13 24.484 -23.963 12.668 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.936 -22.839 15.403 1.00 63.12 H new ATOM 0 HB3 PRO A 13 25.513 -22.197 13.878 1.00 63.12 H new ATOM 0 HG2 PRO A 13 23.593 -20.945 15.302 1.00 12.24 H new ATOM 0 HG3 PRO A 13 23.619 -20.891 13.550 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.906 -22.597 15.361 1.00 11.22 H new ATOM 0 HD3 PRO A 13 21.454 -21.762 13.888 1.00 11.22 H new ATOM 182 N TRP A 14 23.882 -25.116 15.674 1.00 13.53 N ATOM 183 CA TRP A 14 24.150 -26.235 16.560 1.00 55.11 C ATOM 184 C TRP A 14 22.942 -27.168 16.595 1.00 13.40 C ATOM 185 O TRP A 14 21.966 -26.951 15.875 1.00 31.14 O ATOM 186 CB TRP A 14 24.494 -25.715 17.961 1.00 53.25 C ATOM 187 CG TRP A 14 25.211 -26.715 18.821 1.00 30.52 C ATOM 188 CD1 TRP A 14 24.929 -27.033 20.120 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.321 -27.536 18.439 1.00 32.13 C ATOM 190 NE1 TRP A 14 25.801 -27.993 20.567 1.00 11.25 N ATOM 191 CE2 TRP A 14 26.662 -28.320 19.555 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.063 -27.687 17.260 1.00 52.43 C ATOM 193 CZ2 TRP A 14 27.706 -29.236 19.531 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.101 -28.599 17.238 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.413 -29.364 18.368 1.00 71.42 C ATOM 0 H TRP A 14 23.311 -24.379 16.089 1.00 13.53 H new ATOM 0 HA TRP A 14 25.004 -26.802 16.189 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.113 -24.823 17.865 1.00 53.25 H new ATOM 0 HB3 TRP A 14 23.574 -25.413 18.462 1.00 53.25 H new ATOM 0 HD1 TRP A 14 24.137 -26.593 20.708 1.00 34.14 H new ATOM 0 HE1 TRP A 14 25.807 -28.398 21.503 1.00 11.25 H new ATOM 0 HE3 TRP A 14 26.828 -27.101 16.384 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 27.951 -29.827 20.401 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.680 -28.723 16.335 1.00 24.33 H new ATOM 0 HH2 TRP A 14 29.229 -30.070 18.320 1.00 71.42 H new ATOM 206 N GLU A 15 23.020 -28.222 17.403 1.00 44.34 N ATOM 207 CA GLU A 15 21.913 -29.162 17.552 1.00 22.34 C ATOM 208 C GLU A 15 20.726 -28.515 18.270 1.00 24.33 C ATOM 209 O GLU A 15 19.669 -29.132 18.428 1.00 3.10 O ATOM 210 CB GLU A 15 22.381 -30.411 18.302 1.00 35.12 C ATOM 211 CG GLU A 15 23.053 -30.111 19.630 1.00 53.31 C ATOM 212 CD GLU A 15 23.585 -31.358 20.303 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.815 -32.020 21.024 1.00 63.35 O ATOM 214 OE2 GLU A 15 24.778 -31.686 20.107 1.00 74.13 O1- ATOM 0 H GLU A 15 23.840 -28.447 17.966 1.00 44.34 H new ATOM 0 HA GLU A 15 21.578 -29.453 16.556 1.00 22.34 H new ATOM 0 HB2 GLU A 15 21.524 -31.061 18.478 1.00 35.12 H new ATOM 0 HB3 GLU A 15 23.076 -30.964 17.670 1.00 35.12 H new ATOM 0 HG2 GLU A 15 23.873 -29.411 19.469 1.00 53.31 H new ATOM 0 HG3 GLU A 15 22.340 -29.620 20.292 1.00 53.31 H new ATOM 221 N GLY A 16 20.919 -27.282 18.724 1.00 71.54 N ATOM 222 CA GLY A 16 19.823 -26.505 19.254 1.00 11.25 C ATOM 223 C GLY A 16 19.080 -25.793 18.142 1.00 0.41 C ATOM 224 O GLY A 16 19.675 -25.025 17.386 1.00 33.22 O ATOM 0 H GLY A 16 21.822 -26.808 18.733 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.138 -27.157 19.796 1.00 11.25 H new ATOM 0 HA3 GLY A 16 20.202 -25.775 19.970 1.00 11.25 H new ATOM 228 N GLY A 17 17.790 -26.058 18.028 1.00 23.54 N ATOM 229 CA GLY A 17 17.019 -25.499 16.941 1.00 23.21 C ATOM 230 C GLY A 17 16.299 -24.228 17.337 1.00 4.21 C ATOM 231 O GLY A 17 16.518 -23.689 18.424 1.00 73.45 O ATOM 0 H GLY A 17 17.263 -26.651 18.669 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.680 -25.292 16.100 1.00 23.21 H new ATOM 0 HA3 GLY A 17 16.291 -26.235 16.600 1.00 23.21 H new ATOM 235 N ILE A 18 15.424 -23.757 16.466 1.00 13.11 N ATOM 236 CA ILE A 18 14.695 -22.529 16.714 1.00 4.12 C ATOM 237 C ILE A 18 13.205 -22.794 16.846 1.00 21.53 C ATOM 238 O ILE A 18 12.590 -23.460 16.010 1.00 64.33 O ATOM 239 CB ILE A 18 14.973 -21.476 15.619 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.389 -20.931 15.808 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.942 -20.351 15.655 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.765 -19.835 14.833 1.00 70.34 C ATOM 0 H ILE A 18 15.202 -24.209 15.579 1.00 13.11 H new ATOM 0 HA ILE A 18 15.051 -22.123 17.661 1.00 4.12 H new ATOM 0 HB ILE A 18 14.892 -21.947 14.639 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.487 -20.548 16.824 1.00 33.34 H new ATOM 0 HG13 ILE A 18 17.099 -21.752 15.707 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.166 -19.627 14.872 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.947 -20.764 15.493 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.976 -19.857 16.626 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.784 -19.503 15.034 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.702 -20.217 13.814 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.080 -18.995 14.948 1.00 70.34 H new ATOM 254 N ARG A 19 12.649 -22.274 17.920 1.00 44.43 N ATOM 255 CA ARG A 19 11.253 -22.453 18.239 1.00 12.34 C ATOM 256 C ARG A 19 10.463 -21.243 17.767 1.00 54.31 C ATOM 257 O ARG A 19 10.960 -20.116 17.812 1.00 14.40 O ATOM 258 CB ARG A 19 11.100 -22.618 19.745 1.00 21.13 C ATOM 259 CG ARG A 19 9.839 -23.363 20.152 1.00 74.22 C ATOM 260 CD ARG A 19 9.900 -24.822 19.731 1.00 2.13 C ATOM 261 NE ARG A 19 8.597 -25.480 19.837 1.00 34.34 N ATOM 262 CZ ARG A 19 8.422 -26.759 20.153 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.453 -27.520 20.491 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.201 -27.268 20.154 1.00 45.00 N ATOM 0 H ARG A 19 13.160 -21.711 18.600 1.00 44.43 H new ATOM 0 HA ARG A 19 10.872 -23.343 17.737 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.968 -23.151 20.133 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.096 -21.633 20.211 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.709 -23.299 21.232 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.970 -22.887 19.698 1.00 74.22 H new ATOM 0 HD2 ARG A 19 10.256 -24.888 18.703 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.623 -25.349 20.353 1.00 2.13 H new ATOM 0 HE ARG A 19 7.765 -24.918 19.656 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.393 -27.125 20.511 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.306 -28.500 20.732 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.403 -26.680 19.913 1.00 45.00 H new ATOM 0 HH22 ARG A 19 7.057 -28.249 20.395 1.00 45.00 H new ATOM 278 N TYR A 20 9.249 -21.475 17.310 1.00 74.35 N ATOM 279 CA TYR A 20 8.399 -20.397 16.835 1.00 40.55 C ATOM 280 C TYR A 20 7.176 -20.288 17.731 1.00 34.25 C ATOM 281 O TYR A 20 7.110 -20.939 18.775 1.00 72.21 O ATOM 282 CB TYR A 20 7.982 -20.662 15.387 1.00 12.44 C ATOM 283 CG TYR A 20 9.147 -20.965 14.470 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.526 -22.277 14.217 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.873 -19.945 13.870 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.596 -22.564 13.393 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.944 -20.224 13.040 1.00 52.11 C ATOM 288 CZ TYR A 20 11.301 -21.535 12.806 1.00 34.52 C ATOM 289 OH TYR A 20 12.367 -21.820 11.985 1.00 22.43 O ATOM 0 H TYR A 20 8.826 -22.402 17.257 1.00 74.35 H new ATOM 0 HA TYR A 20 8.948 -19.456 16.868 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.285 -21.500 15.365 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.447 -19.792 15.006 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.975 -23.086 14.672 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.597 -18.917 14.054 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.879 -23.590 13.209 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.497 -19.420 12.578 1.00 52.11 H new ATOM 0 HH TYR A 20 12.755 -20.984 11.651 1.00 22.43 H new ATOM 299 N ARG A 21 6.203 -19.483 17.335 1.00 4.04 N ATOM 300 CA ARG A 21 4.987 -19.349 18.125 1.00 43.13 C ATOM 301 C ARG A 21 3.788 -19.868 17.342 1.00 4.10 C ATOM 302 O ARG A 21 3.050 -20.728 17.816 1.00 52.41 O ATOM 303 CB ARG A 21 4.740 -17.893 18.535 1.00 74.30 C ATOM 304 CG ARG A 21 3.698 -17.756 19.637 1.00 52.33 C ATOM 305 CD ARG A 21 2.808 -16.543 19.433 1.00 1.31 C ATOM 306 NE ARG A 21 3.538 -15.279 19.493 1.00 72.30 N ATOM 307 CZ ARG A 21 3.147 -14.177 18.853 1.00 63.53 C ATOM 308 NH1 ARG A 21 2.080 -14.210 18.062 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 3.824 -13.047 18.995 1.00 24.04 N ATOM 0 H ARG A 21 6.228 -18.920 16.485 1.00 4.04 H new ATOM 0 HA ARG A 21 5.117 -19.942 19.030 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.678 -17.452 18.872 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.416 -17.325 17.663 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.083 -18.655 19.668 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.199 -17.679 20.602 1.00 52.33 H new ATOM 0 HD2 ARG A 21 2.311 -16.623 18.466 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.027 -16.541 20.193 1.00 1.31 H new ATOM 0 HE ARG A 21 4.390 -15.238 20.053 1.00 72.30 H new ATOM 0 HH11 ARG A 21 1.559 -15.079 17.944 1.00 42.32 H new ATOM 0 HH12 ARG A 21 1.782 -13.366 17.573 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.648 -13.018 19.596 1.00 24.04 H new ATOM 0 HH22 ARG A 21 3.521 -12.206 18.503 1.00 24.04 H new ATOM 323 N GLY A 22 3.610 -19.345 16.135 1.00 11.55 N ATOM 324 CA GLY A 22 2.467 -19.722 15.325 1.00 50.05 C ATOM 325 C GLY A 22 2.854 -20.555 14.125 1.00 71.12 C ATOM 326 O GLY A 22 2.165 -20.552 13.109 1.00 54.54 O ATOM 0 H GLY A 22 4.237 -18.666 15.702 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.761 -20.281 15.938 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.953 -18.822 14.987 1.00 50.05 H new ATOM 330 N LEU A 23 3.966 -21.263 14.236 1.00 51.01 N ATOM 331 CA LEU A 23 4.430 -22.125 13.163 1.00 52.44 C ATOM 332 C LEU A 23 4.510 -23.565 13.653 1.00 5.12 C ATOM 333 O LEU A 23 5.193 -23.861 14.635 1.00 0.51 O ATOM 334 CB LEU A 23 5.779 -21.634 12.629 1.00 44.13 C ATOM 335 CG LEU A 23 5.729 -20.258 11.954 1.00 45.22 C ATOM 336 CD1 LEU A 23 7.121 -19.791 11.561 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.821 -20.298 10.733 1.00 3.33 C ATOM 0 H LEU A 23 4.565 -21.257 15.061 1.00 51.01 H new ATOM 0 HA LEU A 23 3.719 -22.089 12.338 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.490 -21.595 13.454 1.00 44.13 H new ATOM 0 HB3 LEU A 23 6.160 -22.363 11.914 1.00 44.13 H new ATOM 0 HG LEU A 23 5.322 -19.545 12.671 1.00 45.22 H new ATOM 0 HD11 LEU A 23 7.056 -18.813 11.085 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.746 -19.720 12.451 1.00 34.31 H new ATOM 0 HD13 LEU A 23 7.561 -20.505 10.865 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.796 -19.314 10.265 1.00 3.33 H new ATOM 0 HD22 LEU A 23 5.202 -21.029 10.020 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.813 -20.580 11.038 1.00 3.33 H new ATOM 349 N THR A 24 3.786 -24.443 12.979 1.00 45.31 N ATOM 350 CA THR A 24 3.623 -25.813 13.435 1.00 75.32 C ATOM 351 C THR A 24 4.446 -26.803 12.600 1.00 64.12 C ATOM 352 O THR A 24 5.185 -26.415 11.695 1.00 23.12 O ATOM 353 CB THR A 24 2.125 -26.212 13.416 1.00 73.21 C ATOM 354 OG1 THR A 24 1.926 -27.492 14.034 1.00 0.00 O ATOM 355 CG2 THR A 24 1.584 -26.243 11.991 1.00 12.52 C ATOM 0 H THR A 24 3.299 -24.229 12.109 1.00 45.31 H new ATOM 0 HA THR A 24 3.996 -25.860 14.458 1.00 75.32 H new ATOM 0 HB THR A 24 1.580 -25.457 13.983 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.974 -27.722 14.012 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.531 -26.526 12.007 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.687 -25.256 11.541 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.146 -26.970 11.404 1.00 12.52 H new ATOM 363 N ARG A 25 4.324 -28.078 12.947 1.00 3.14 N ATOM 364 CA ARG A 25 4.985 -29.174 12.246 1.00 73.32 C ATOM 365 C ARG A 25 4.607 -29.204 10.764 1.00 50.00 C ATOM 366 O ARG A 25 3.421 -29.205 10.429 1.00 5.42 O ATOM 367 CB ARG A 25 4.622 -30.503 12.903 1.00 33.05 C ATOM 368 CG ARG A 25 5.133 -30.641 14.329 1.00 24.32 C ATOM 369 CD ARG A 25 4.627 -31.920 14.975 1.00 10.33 C ATOM 370 NE ARG A 25 4.978 -33.104 14.194 1.00 33.14 N ATOM 371 CZ ARG A 25 4.099 -34.030 13.814 1.00 2.41 C ATOM 372 NH1 ARG A 25 2.814 -33.905 14.127 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 4.506 -35.074 13.107 1.00 62.54 N ATOM 0 H ARG A 25 3.755 -28.386 13.735 1.00 3.14 H new ATOM 0 HA ARG A 25 6.061 -29.014 12.313 1.00 73.32 H new ATOM 0 HB2 ARG A 25 3.538 -30.614 12.903 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.026 -31.318 12.302 1.00 33.05 H new ATOM 0 HG2 ARG A 25 6.223 -30.638 14.329 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.812 -29.782 14.918 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.045 -32.010 15.977 1.00 10.33 H new ATOM 0 HD3 ARG A 25 3.544 -31.866 15.085 1.00 10.33 H new ATOM 0 HE ARG A 25 5.954 -33.229 13.924 1.00 33.14 H new ATOM 0 HH11 ARG A 25 2.496 -33.097 14.661 1.00 13.30 H new ATOM 0 HH12 ARG A 25 2.146 -34.617 13.833 1.00 13.30 H new ATOM 0 HH21 ARG A 25 5.490 -35.167 12.855 1.00 62.54 H new ATOM 0 HH22 ARG A 25 3.835 -35.785 12.815 1.00 62.54 H new ATOM 387 N ASP A 26 5.640 -29.183 9.907 1.00 11.55 N ATOM 388 CA ASP A 26 5.513 -29.200 8.433 1.00 13.41 C ATOM 389 C ASP A 26 5.500 -27.776 7.885 1.00 2.54 C ATOM 390 O ASP A 26 5.346 -27.542 6.689 1.00 54.04 O ATOM 391 CB ASP A 26 4.289 -30.002 7.948 1.00 51.21 C ATOM 392 CG ASP A 26 4.221 -30.139 6.433 1.00 14.41 C ATOM 393 OD1 ASP A 26 5.058 -30.867 5.854 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.317 -29.534 5.817 1.00 15.44 O1- ATOM 0 H ASP A 26 6.610 -29.153 10.222 1.00 11.55 H new ATOM 0 HA ASP A 26 6.388 -29.718 8.039 1.00 13.41 H new ATOM 0 HB2 ASP A 26 4.314 -30.996 8.395 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.381 -29.516 8.303 1.00 51.21 H new ATOM 399 N GLN A 27 5.682 -26.822 8.777 1.00 2.23 N ATOM 400 CA GLN A 27 5.888 -25.442 8.383 1.00 4.51 C ATOM 401 C GLN A 27 7.384 -25.167 8.311 1.00 2.23 C ATOM 402 O GLN A 27 8.181 -26.077 8.528 1.00 21.25 O ATOM 403 CB GLN A 27 5.207 -24.503 9.377 1.00 41.02 C ATOM 404 CG GLN A 27 3.693 -24.596 9.342 1.00 12.33 C ATOM 405 CD GLN A 27 3.087 -23.701 8.285 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.951 -24.088 7.123 1.00 70.15 O ATOM 407 NE2 GLN A 27 2.694 -22.508 8.695 1.00 42.30 N ATOM 0 H GLN A 27 5.691 -26.979 9.785 1.00 2.23 H new ATOM 0 HA GLN A 27 5.446 -25.267 7.402 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.556 -24.734 10.383 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.507 -23.477 9.163 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.399 -25.628 9.153 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.292 -24.324 10.318 1.00 12.33 H new ATOM 0 HE21 GLN A 27 2.828 -22.233 9.668 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.256 -21.862 8.038 1.00 42.30 H new ATOM 416 N VAL A 28 7.742 -23.923 7.981 1.00 40.51 N ATOM 417 CA VAL A 28 9.141 -23.458 7.887 1.00 21.23 C ATOM 418 C VAL A 28 10.012 -24.349 6.990 1.00 20.45 C ATOM 419 O VAL A 28 11.243 -24.287 7.039 1.00 35.23 O ATOM 420 CB VAL A 28 9.814 -23.278 9.278 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.895 -22.519 10.218 1.00 3.34 C ATOM 422 CG2 VAL A 28 10.250 -24.601 9.904 1.00 12.44 C ATOM 0 H VAL A 28 7.062 -23.194 7.767 1.00 40.51 H new ATOM 0 HA VAL A 28 9.074 -22.477 7.417 1.00 21.23 H new ATOM 0 HB VAL A 28 10.722 -22.697 9.115 1.00 75.00 H new ATOM 0 HG11 VAL A 28 9.381 -22.402 11.186 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.678 -21.536 9.800 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.965 -23.073 10.344 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.712 -24.410 10.872 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.380 -25.244 10.037 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.969 -25.094 9.249 1.00 12.44 H new ATOM 432 N LYS A 29 9.376 -25.142 6.138 1.00 1.44 N ATOM 433 CA LYS A 29 10.101 -26.006 5.222 1.00 53.22 C ATOM 434 C LYS A 29 10.527 -25.212 3.991 1.00 71.12 C ATOM 435 O LYS A 29 11.445 -25.608 3.270 1.00 33.02 O ATOM 436 CB LYS A 29 9.242 -27.219 4.838 1.00 54.41 C ATOM 437 CG LYS A 29 8.002 -26.872 4.025 1.00 70.52 C ATOM 438 CD LYS A 29 6.978 -28.000 4.035 1.00 33.02 C ATOM 439 CE LYS A 29 7.557 -29.318 3.544 1.00 11.13 C ATOM 440 NZ LYS A 29 6.533 -30.399 3.537 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.361 -25.203 6.064 1.00 1.44 H new ATOM 0 HA LYS A 29 10.999 -26.380 5.714 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.854 -27.917 4.267 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.934 -27.735 5.747 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.547 -25.966 4.426 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.292 -26.655 2.997 1.00 70.52 H new ATOM 0 HD2 LYS A 29 6.595 -28.130 5.047 1.00 33.02 H new ATOM 0 HD3 LYS A 29 6.131 -27.723 3.407 1.00 33.02 H new ATOM 0 HE2 LYS A 29 7.956 -29.188 2.538 1.00 11.13 H new ATOM 0 HE3 LYS A 29 8.391 -29.610 4.183 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 6.993 -31.312 3.345 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 6.062 -30.437 4.463 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 5.828 -30.204 2.798 1.00 21.55 H new ATOM 454 N ALA A 30 9.856 -24.079 3.775 1.00 52.32 N ATOM 455 CA ALA A 30 10.197 -23.158 2.698 1.00 14.13 C ATOM 456 C ALA A 30 9.463 -21.832 2.877 1.00 61.32 C ATOM 457 O ALA A 30 8.246 -21.754 2.699 1.00 75.11 O ATOM 458 CB ALA A 30 9.877 -23.762 1.342 1.00 4.23 C ATOM 0 H ALA A 30 9.063 -23.778 4.342 1.00 52.32 H new ATOM 0 HA ALA A 30 11.270 -22.972 2.741 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.141 -23.054 0.557 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.448 -24.681 1.209 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.812 -23.986 1.286 1.00 4.23 H new ATOM 464 N ILE A 31 10.207 -20.802 3.256 1.00 25.12 N ATOM 465 CA ILE A 31 9.648 -19.471 3.481 1.00 40.14 C ATOM 466 C ILE A 31 10.594 -18.424 2.894 1.00 74.23 C ATOM 467 O ILE A 31 11.798 -18.662 2.793 1.00 4.24 O ATOM 468 CB ILE A 31 9.447 -19.186 4.998 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.585 -20.273 5.652 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.817 -17.815 5.221 1.00 41.23 C ATOM 471 CD1 ILE A 31 8.380 -20.072 7.139 1.00 3.32 C ATOM 0 H ILE A 31 11.212 -20.862 3.416 1.00 25.12 H new ATOM 0 HA ILE A 31 8.674 -19.423 2.994 1.00 40.14 H new ATOM 0 HB ILE A 31 10.431 -19.194 5.466 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.613 -20.299 5.160 1.00 11.21 H new ATOM 0 HG13 ILE A 31 9.052 -21.244 5.486 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.688 -17.643 6.290 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.466 -17.044 4.805 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.846 -17.776 4.728 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.761 -20.878 7.533 1.00 3.32 H new ATOM 0 HD12 ILE A 31 9.346 -20.076 7.643 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.885 -19.117 7.312 1.00 3.32 H new ATOM 483 N ASN A 32 10.061 -17.283 2.482 1.00 72.34 N ATOM 484 CA ASN A 32 10.900 -16.194 2.001 1.00 15.12 C ATOM 485 C ASN A 32 11.309 -15.289 3.153 1.00 73.04 C ATOM 486 O ASN A 32 12.482 -15.231 3.521 1.00 13.03 O ATOM 487 CB ASN A 32 10.189 -15.376 0.917 1.00 71.30 C ATOM 488 CG ASN A 32 9.968 -16.167 -0.356 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.702 -17.115 -0.655 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.980 -15.763 -1.131 1.00 22.03 N ATOM 0 H ASN A 32 9.060 -17.087 2.471 1.00 72.34 H new ATOM 0 HA ASN A 32 11.794 -16.636 1.560 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.228 -15.032 1.298 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.779 -14.488 0.691 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.798 -16.238 -2.015 1.00 22.03 H new ATOM 0 HD22 ASN A 32 8.398 -14.976 -0.846 1.00 22.03 H new ATOM 497 N PHE A 33 10.342 -14.603 3.739 1.00 4.32 N ATOM 498 CA PHE A 33 10.619 -13.690 4.835 1.00 60.13 C ATOM 499 C PHE A 33 9.588 -13.845 5.941 1.00 71.25 C ATOM 500 O PHE A 33 8.409 -14.077 5.676 1.00 43.02 O ATOM 501 CB PHE A 33 10.633 -12.237 4.352 1.00 25.12 C ATOM 502 CG PHE A 33 11.749 -11.917 3.395 1.00 51.52 C ATOM 503 CD1 PHE A 33 11.479 -11.632 2.064 1.00 50.10 C ATOM 504 CD2 PHE A 33 13.066 -11.898 3.826 1.00 1.10 C ATOM 505 CE1 PHE A 33 12.504 -11.333 1.184 1.00 3.21 C ATOM 506 CE2 PHE A 33 14.093 -11.600 2.952 1.00 62.54 C ATOM 507 CZ PHE A 33 13.812 -11.318 1.630 1.00 65.33 C ATOM 0 H PHE A 33 9.359 -14.661 3.474 1.00 4.32 H new ATOM 0 HA PHE A 33 11.605 -13.941 5.227 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.681 -12.017 3.869 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.711 -11.579 5.217 1.00 25.12 H new ATOM 0 HD1 PHE A 33 10.458 -11.644 1.711 1.00 50.10 H new ATOM 0 HD2 PHE A 33 13.292 -12.119 4.859 1.00 1.10 H new ATOM 0 HE1 PHE A 33 12.282 -11.112 0.150 1.00 3.21 H new ATOM 0 HE2 PHE A 33 15.115 -11.588 3.302 1.00 62.54 H new ATOM 0 HZ PHE A 33 14.614 -11.086 0.945 1.00 65.33 H new ATOM 517 N LEU A 34 10.045 -13.725 7.177 1.00 45.21 N ATOM 518 CA LEU A 34 9.161 -13.755 8.330 1.00 44.33 C ATOM 519 C LEU A 34 8.593 -12.362 8.577 1.00 61.32 C ATOM 520 O LEU A 34 9.283 -11.364 8.362 1.00 5.11 O ATOM 521 CB LEU A 34 9.901 -14.253 9.583 1.00 2.10 C ATOM 522 CG LEU A 34 10.161 -15.767 9.660 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.859 -16.546 9.517 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.174 -16.211 8.611 1.00 73.11 C ATOM 0 H LEU A 34 11.031 -13.605 7.408 1.00 45.21 H new ATOM 0 HA LEU A 34 8.346 -14.449 8.122 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.859 -13.737 9.643 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.325 -13.959 10.461 1.00 2.10 H new ATOM 0 HG LEU A 34 10.584 -15.982 10.641 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.066 -17.615 9.574 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.177 -16.265 10.319 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.401 -16.316 8.555 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.335 -17.286 8.693 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.795 -15.975 7.617 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.117 -15.690 8.773 1.00 73.11 H new ATOM 536 N PRO A 35 7.325 -12.280 9.015 1.00 32.22 N ATOM 537 CA PRO A 35 6.647 -11.001 9.261 1.00 5.03 C ATOM 538 C PRO A 35 7.324 -10.179 10.355 1.00 10.23 C ATOM 539 O PRO A 35 7.989 -10.725 11.241 1.00 63.24 O ATOM 540 CB PRO A 35 5.234 -11.412 9.696 1.00 22.10 C ATOM 541 CG PRO A 35 5.078 -12.823 9.239 1.00 24.21 C ATOM 542 CD PRO A 35 6.448 -13.426 9.299 1.00 34.40 C ATOM 0 HA PRO A 35 6.664 -10.363 8.377 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.116 -11.333 10.777 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.480 -10.767 9.245 1.00 22.10 H new ATOM 0 HG2 PRO A 35 4.383 -13.367 9.879 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.677 -12.864 8.226 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.655 -13.861 10.277 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.572 -14.221 8.564 1.00 34.40 H new ATOM 550 N VAL A 36 7.134 -8.868 10.289 1.00 60.55 N ATOM 551 CA VAL A 36 7.750 -7.945 11.231 1.00 53.33 C ATOM 552 C VAL A 36 7.291 -8.229 12.661 1.00 1.10 C ATOM 553 O VAL A 36 6.127 -8.561 12.897 1.00 72.31 O ATOM 554 CB VAL A 36 7.442 -6.474 10.855 1.00 4.21 C ATOM 555 CG1 VAL A 36 5.942 -6.207 10.854 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.156 -5.505 11.787 1.00 25.11 C ATOM 0 H VAL A 36 6.551 -8.417 9.584 1.00 60.55 H new ATOM 0 HA VAL A 36 8.828 -8.096 11.178 1.00 53.33 H new ATOM 0 HB VAL A 36 7.817 -6.311 9.844 1.00 4.21 H new ATOM 0 HG11 VAL A 36 5.758 -5.167 10.587 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.457 -6.860 10.128 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.537 -6.404 11.847 1.00 64.12 H new ATOM 0 HG21 VAL A 36 7.920 -4.481 11.497 1.00 25.11 H new ATOM 0 HG22 VAL A 36 7.827 -5.677 12.812 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.233 -5.662 11.720 1.00 25.11 H new ATOM 566 N ASP A 37 8.235 -8.129 13.594 1.00 75.53 N ATOM 567 CA ASP A 37 7.977 -8.331 15.022 1.00 0.24 C ATOM 568 C ASP A 37 7.598 -9.768 15.358 1.00 61.43 C ATOM 569 O ASP A 37 7.071 -10.036 16.440 1.00 74.15 O ATOM 570 CB ASP A 37 6.909 -7.364 15.543 1.00 1.03 C ATOM 571 CG ASP A 37 7.504 -6.054 16.015 1.00 73.54 C ATOM 572 OD1 ASP A 37 7.997 -5.999 17.159 1.00 11.24 O ATOM 573 OD2 ASP A 37 7.486 -5.070 15.250 1.00 24.30 O1- ATOM 0 H ASP A 37 9.207 -7.904 13.382 1.00 75.53 H new ATOM 0 HA ASP A 37 8.918 -8.118 15.528 1.00 0.24 H new ATOM 0 HB2 ASP A 37 6.183 -7.168 14.754 1.00 1.03 H new ATOM 0 HB3 ASP A 37 6.368 -7.832 16.365 1.00 1.03 H new ATOM 578 N TYR A 38 7.874 -10.700 14.452 1.00 64.13 N ATOM 579 CA TYR A 38 7.700 -12.112 14.769 1.00 64.04 C ATOM 580 C TYR A 38 8.793 -12.541 15.744 1.00 13.41 C ATOM 581 O TYR A 38 9.910 -12.027 15.696 1.00 72.14 O ATOM 582 CB TYR A 38 7.729 -12.986 13.510 1.00 31.23 C ATOM 583 CG TYR A 38 7.230 -14.397 13.759 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.114 -15.439 14.020 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.870 -14.679 13.754 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.654 -16.720 14.271 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.404 -15.957 14.001 1.00 74.11 C ATOM 588 CZ TYR A 38 6.298 -16.974 14.259 1.00 52.12 C ATOM 589 OH TYR A 38 5.832 -18.249 14.510 1.00 52.04 O ATOM 0 H TYR A 38 8.213 -10.509 13.509 1.00 64.13 H new ATOM 0 HA TYR A 38 6.720 -12.247 15.228 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.117 -12.521 12.737 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.749 -13.029 13.127 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.176 -15.245 14.027 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.164 -13.886 13.554 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.353 -17.517 14.475 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.343 -16.158 13.992 1.00 74.11 H new ATOM 0 HH TYR A 38 4.933 -18.348 14.134 1.00 52.04 H new ATOM 599 N GLU A 39 8.466 -13.465 16.632 1.00 24.42 N ATOM 600 CA GLU A 39 9.370 -13.840 17.707 1.00 12.31 C ATOM 601 C GLU A 39 9.806 -15.297 17.580 1.00 14.54 C ATOM 602 O GLU A 39 8.970 -16.197 17.470 1.00 3.41 O ATOM 603 CB GLU A 39 8.677 -13.615 19.049 1.00 45.13 C ATOM 604 CG GLU A 39 8.105 -12.215 19.201 1.00 72.52 C ATOM 605 CD GLU A 39 7.208 -12.079 20.411 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.053 -12.554 20.358 1.00 5.53 O ATOM 607 OE2 GLU A 39 7.646 -11.488 21.416 1.00 51.15 O1- ATOM 0 H GLU A 39 7.580 -13.970 16.630 1.00 24.42 H new ATOM 0 HA GLU A 39 10.263 -13.219 17.643 1.00 12.31 H new ATOM 0 HB2 GLU A 39 7.874 -14.343 19.162 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.389 -13.799 19.854 1.00 45.13 H new ATOM 0 HG2 GLU A 39 8.923 -11.499 19.278 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.540 -11.958 18.305 1.00 72.52 H new ATOM 614 N ILE A 40 11.115 -15.521 17.578 1.00 4.54 N ATOM 615 CA ILE A 40 11.660 -16.874 17.555 1.00 42.33 C ATOM 616 C ILE A 40 12.555 -17.106 18.771 1.00 75.11 C ATOM 617 O ILE A 40 13.090 -16.155 19.350 1.00 0.45 O ATOM 618 CB ILE A 40 12.458 -17.167 16.261 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.665 -16.234 16.150 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.557 -17.032 15.039 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.578 -16.552 14.985 1.00 11.34 C ATOM 0 H ILE A 40 11.819 -14.783 17.592 1.00 4.54 H new ATOM 0 HA ILE A 40 10.812 -17.558 17.583 1.00 42.33 H new ATOM 0 HB ILE A 40 12.825 -18.193 16.305 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.311 -15.208 16.053 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.240 -16.287 17.075 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.133 -17.241 14.137 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.732 -17.740 15.115 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.161 -16.018 14.989 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.410 -15.848 14.972 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.962 -17.567 15.090 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.020 -16.471 14.052 1.00 11.34 H new ATOM 633 N GLU A 41 12.715 -18.363 19.152 1.00 61.12 N ATOM 634 CA GLU A 41 13.458 -18.712 20.354 1.00 13.03 C ATOM 635 C GLU A 41 14.484 -19.808 20.052 1.00 60.15 C ATOM 636 O GLU A 41 14.258 -20.658 19.198 1.00 54.15 O ATOM 637 CB GLU A 41 12.470 -19.171 21.429 1.00 74.33 C ATOM 638 CG GLU A 41 13.087 -19.398 22.795 1.00 15.40 C ATOM 639 CD GLU A 41 12.038 -19.618 23.863 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.507 -18.619 24.393 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.738 -20.786 24.176 1.00 65.45 O1- ATOM 0 H GLU A 41 12.338 -19.163 18.644 1.00 61.12 H new ATOM 0 HA GLU A 41 14.004 -17.840 20.714 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.680 -18.425 21.521 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.998 -20.097 21.099 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.749 -20.263 22.754 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.701 -18.538 23.062 1.00 15.40 H new ATOM 648 N TYR A 42 15.617 -19.772 20.744 1.00 75.13 N ATOM 649 CA TYR A 42 16.666 -20.779 20.570 1.00 70.02 C ATOM 650 C TYR A 42 16.540 -21.863 21.632 1.00 70.13 C ATOM 651 O TYR A 42 16.919 -21.658 22.783 1.00 31.24 O ATOM 652 CB TYR A 42 18.060 -20.145 20.645 1.00 71.13 C ATOM 653 CG TYR A 42 18.406 -19.263 19.465 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.361 -19.658 18.537 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.783 -18.040 19.282 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.683 -18.855 17.460 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.098 -17.235 18.209 1.00 60.14 C ATOM 658 CZ TYR A 42 19.048 -17.644 17.301 1.00 71.20 C ATOM 659 OH TYR A 42 19.362 -16.835 16.234 1.00 33.12 O ATOM 0 H TYR A 42 15.836 -19.054 21.435 1.00 75.13 H new ATOM 0 HA TYR A 42 16.540 -21.223 19.583 1.00 70.02 H new ATOM 0 HB2 TYR A 42 18.129 -19.554 21.558 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.804 -20.938 20.722 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.860 -20.608 18.659 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.038 -17.712 19.992 1.00 74.53 H new ATOM 0 HE1 TYR A 42 20.428 -19.175 16.747 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.600 -16.285 18.081 1.00 60.14 H new ATOM 0 HH TYR A 42 19.642 -17.388 15.475 1.00 33.12 H new ATOM 669 N VAL A 43 15.987 -23.004 21.251 1.00 14.33 N ATOM 670 CA VAL A 43 15.736 -24.085 22.195 1.00 13.01 C ATOM 671 C VAL A 43 16.599 -25.305 21.886 1.00 43.53 C ATOM 672 O VAL A 43 17.250 -25.373 20.847 1.00 23.35 O ATOM 673 CB VAL A 43 14.250 -24.505 22.189 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.370 -23.374 22.699 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.816 -24.931 20.792 1.00 10.23 C ATOM 0 H VAL A 43 15.702 -23.207 20.293 1.00 14.33 H new ATOM 0 HA VAL A 43 15.996 -23.704 23.183 1.00 13.01 H new ATOM 0 HB VAL A 43 14.135 -25.358 22.858 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.327 -23.691 22.687 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.660 -23.119 23.718 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.492 -22.501 22.058 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.766 -25.223 20.810 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.949 -24.099 20.100 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.422 -25.776 20.465 1.00 10.23 H new ATOM 685 N CYS A 44 16.602 -26.265 22.795 1.00 44.41 N ATOM 686 CA CYS A 44 17.334 -27.502 22.588 1.00 33.42 C ATOM 687 C CYS A 44 16.399 -28.547 22.031 1.00 23.24 C ATOM 688 O CYS A 44 15.320 -28.791 22.572 1.00 51.42 O ATOM 689 CB CYS A 44 17.982 -27.985 23.889 1.00 2.24 C ATOM 690 SG CYS A 44 19.209 -29.314 23.660 1.00 3.51 S ATOM 0 H CYS A 44 16.105 -26.211 23.684 1.00 44.41 H new ATOM 0 HA CYS A 44 18.138 -27.323 21.874 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.465 -27.139 24.378 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.201 -28.338 24.562 1.00 2.24 H new ATOM 695 N ARG A 45 16.817 -29.132 20.925 1.00 62.05 N ATOM 696 CA ARG A 45 16.016 -30.105 20.218 1.00 5.01 C ATOM 697 C ARG A 45 15.691 -31.300 21.110 1.00 54.03 C ATOM 698 O ARG A 45 16.587 -31.964 21.633 1.00 24.32 O ATOM 699 CB ARG A 45 16.761 -30.549 18.962 1.00 71.44 C ATOM 700 CG ARG A 45 16.104 -31.707 18.261 1.00 42.32 C ATOM 701 CD ARG A 45 16.882 -32.138 17.030 1.00 12.32 C ATOM 702 NE ARG A 45 16.163 -33.146 16.255 1.00 32.41 N ATOM 703 CZ ARG A 45 16.335 -33.349 14.947 1.00 70.05 C ATOM 704 NH1 ARG A 45 17.246 -32.652 14.275 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 15.614 -34.265 14.313 1.00 35.41 N ATOM 0 H ARG A 45 17.722 -28.944 20.494 1.00 62.05 H new ATOM 0 HA ARG A 45 15.069 -29.648 19.932 1.00 5.01 H new ATOM 0 HB2 ARG A 45 16.831 -29.708 18.273 1.00 71.44 H new ATOM 0 HB3 ARG A 45 17.780 -30.826 19.231 1.00 71.44 H new ATOM 0 HG2 ARG A 45 16.019 -32.548 18.950 1.00 42.32 H new ATOM 0 HG3 ARG A 45 15.091 -31.429 17.971 1.00 42.32 H new ATOM 0 HD2 ARG A 45 17.078 -31.269 16.402 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.850 -32.536 17.334 1.00 12.32 H new ATOM 0 HE ARG A 45 15.487 -33.732 16.744 1.00 32.41 H new ATOM 0 HH11 ARG A 45 17.817 -31.959 14.759 1.00 54.35 H new ATOM 0 HH12 ARG A 45 17.374 -32.810 13.276 1.00 54.35 H new ATOM 0 HH21 ARG A 45 14.926 -34.817 14.825 1.00 35.41 H new ATOM 0 HH22 ARG A 45 15.748 -34.417 13.313 1.00 35.41 H new ATOM 719 N GLY A 46 14.403 -31.553 21.290 1.00 62.21 N ATOM 720 CA GLY A 46 13.967 -32.657 22.116 1.00 35.13 C ATOM 721 C GLY A 46 13.265 -32.183 23.371 1.00 50.42 C ATOM 722 O GLY A 46 12.346 -31.367 23.305 1.00 24.32 O ATOM 0 H GLY A 46 13.648 -31.008 20.875 1.00 62.21 H new ATOM 0 HA2 GLY A 46 13.294 -33.295 21.543 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.828 -33.267 22.390 1.00 35.13 H new ATOM 726 N GLU A 47 13.706 -32.682 24.512 1.00 62.41 N ATOM 727 CA GLU A 47 13.105 -32.324 25.789 1.00 21.42 C ATOM 728 C GLU A 47 14.147 -31.723 26.724 1.00 12.53 C ATOM 729 O GLU A 47 13.901 -31.532 27.920 1.00 4.41 O ATOM 730 CB GLU A 47 12.451 -33.550 26.425 1.00 22.13 C ATOM 731 CG GLU A 47 13.370 -34.756 26.511 1.00 11.01 C ATOM 732 CD GLU A 47 12.655 -35.993 27.000 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.845 -36.560 26.230 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.894 -36.412 28.149 1.00 71.43 O1- ATOM 0 H GLU A 47 14.482 -33.340 24.582 1.00 62.41 H new ATOM 0 HA GLU A 47 12.336 -31.572 25.613 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.111 -33.291 27.428 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.566 -33.819 25.848 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.799 -34.953 25.529 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.199 -34.530 27.182 1.00 11.01 H new ATOM 741 N ARG A 48 15.303 -31.406 26.164 1.00 3.22 N ATOM 742 CA ARG A 48 16.382 -30.783 26.917 1.00 11.31 C ATOM 743 C ARG A 48 16.234 -29.270 26.862 1.00 51.34 C ATOM 744 O ARG A 48 15.552 -28.742 25.983 1.00 74.21 O ATOM 745 CB ARG A 48 17.731 -31.214 26.345 1.00 14.32 C ATOM 746 CG ARG A 48 18.011 -32.694 26.527 1.00 42.31 C ATOM 747 CD ARG A 48 18.457 -33.009 27.943 1.00 42.54 C ATOM 748 NE ARG A 48 19.872 -32.704 28.142 1.00 62.44 N ATOM 749 CZ ARG A 48 20.404 -32.327 29.301 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.625 -32.083 30.349 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.718 -32.179 29.407 1.00 20.12 N ATOM 0 H ARG A 48 15.520 -31.571 25.181 1.00 3.22 H new ATOM 0 HA ARG A 48 16.332 -31.102 27.958 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.762 -30.973 25.282 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.523 -30.639 26.825 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.113 -33.266 26.292 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.782 -33.008 25.824 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.858 -32.435 28.650 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.278 -34.063 28.155 1.00 42.54 H new ATOM 0 HE ARG A 48 20.494 -32.786 27.338 1.00 62.44 H new ATOM 0 HH11 ARG A 48 18.613 -32.185 30.267 1.00 25.54 H new ATOM 0 HH12 ARG A 48 20.038 -31.794 31.236 1.00 25.54 H new ATOM 0 HH21 ARG A 48 22.318 -32.354 28.601 1.00 20.12 H new ATOM 0 HH22 ARG A 48 22.129 -31.890 30.295 1.00 20.12 H new ATOM 765 N GLU A 49 16.861 -28.570 27.793 1.00 44.11 N ATOM 766 CA GLU A 49 16.678 -27.132 27.901 1.00 30.02 C ATOM 767 C GLU A 49 18.001 -26.392 27.755 1.00 63.13 C ATOM 768 O GLU A 49 19.073 -26.985 27.859 1.00 72.31 O ATOM 769 CB GLU A 49 16.022 -26.787 29.237 1.00 5.24 C ATOM 770 CG GLU A 49 14.630 -27.379 29.387 1.00 21.11 C ATOM 771 CD GLU A 49 14.044 -27.162 30.764 1.00 74.41 C ATOM 772 OE1 GLU A 49 14.087 -28.102 31.583 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.532 -26.059 31.035 1.00 41.04 O1- ATOM 0 H GLU A 49 17.498 -28.971 28.481 1.00 44.11 H new ATOM 0 HA GLU A 49 16.026 -26.812 27.088 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.653 -27.148 30.049 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.962 -25.703 29.337 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.969 -26.935 28.642 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.671 -28.448 29.179 1.00 21.11 H new ATOM 780 N VAL A 50 17.907 -25.094 27.508 1.00 34.14 N ATOM 781 CA VAL A 50 19.081 -24.254 27.321 1.00 54.31 C ATOM 782 C VAL A 50 19.001 -23.034 28.228 1.00 4.42 C ATOM 783 O VAL A 50 17.907 -22.569 28.558 1.00 41.03 O ATOM 784 CB VAL A 50 19.216 -23.769 25.857 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.428 -24.936 24.912 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.993 -22.968 25.438 1.00 31.42 C ATOM 0 H VAL A 50 17.020 -24.595 27.432 1.00 34.14 H new ATOM 0 HA VAL A 50 19.952 -24.860 27.571 1.00 54.31 H new ATOM 0 HB VAL A 50 20.091 -23.121 25.802 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.519 -24.565 23.891 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.339 -25.467 25.188 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.578 -25.616 24.977 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.110 -22.638 24.406 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.103 -23.592 25.520 1.00 31.42 H new ATOM 0 HG23 VAL A 50 17.887 -22.099 26.087 1.00 31.42 H new ATOM 796 N VAL A 51 20.149 -22.524 28.640 1.00 23.20 N ATOM 797 CA VAL A 51 20.191 -21.265 29.363 1.00 2.24 C ATOM 798 C VAL A 51 21.027 -20.245 28.586 1.00 12.52 C ATOM 799 O VAL A 51 22.257 -20.240 28.629 1.00 73.23 O ATOM 800 CB VAL A 51 20.712 -21.447 30.815 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.023 -22.216 30.844 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.861 -20.100 31.512 1.00 4.13 C ATOM 0 H VAL A 51 21.059 -22.959 28.488 1.00 23.20 H new ATOM 0 HA VAL A 51 19.173 -20.886 29.447 1.00 2.24 H new ATOM 0 HB VAL A 51 19.971 -22.034 31.358 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.358 -22.325 31.875 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.876 -23.202 30.404 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.776 -21.673 30.273 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.227 -20.254 32.527 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.569 -19.481 30.961 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.893 -19.600 31.547 1.00 4.13 H new ATOM 812 N GLY A 52 20.325 -19.420 27.828 1.00 43.00 N ATOM 813 CA GLY A 52 20.954 -18.416 26.998 1.00 12.21 C ATOM 814 C GLY A 52 20.018 -17.259 26.749 1.00 21.54 C ATOM 815 O GLY A 52 18.844 -17.335 27.122 1.00 21.14 O ATOM 0 H GLY A 52 19.307 -19.430 27.773 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.863 -18.056 27.481 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.252 -18.859 26.048 1.00 12.21 H new ATOM 819 N PRO A 53 20.490 -16.177 26.122 1.00 41.45 N ATOM 820 CA PRO A 53 19.626 -15.064 25.738 1.00 13.20 C ATOM 821 C PRO A 53 18.847 -15.406 24.470 1.00 34.33 C ATOM 822 O PRO A 53 18.966 -14.738 23.437 1.00 53.40 O ATOM 823 CB PRO A 53 20.613 -13.925 25.490 1.00 30.31 C ATOM 824 CG PRO A 53 21.883 -14.592 25.079 1.00 70.42 C ATOM 825 CD PRO A 53 21.888 -15.965 25.705 1.00 22.42 C ATOM 0 HA PRO A 53 18.877 -14.816 26.490 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.251 -13.253 24.712 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.756 -13.325 26.389 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.946 -14.664 23.993 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.746 -14.015 25.411 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.211 -16.726 24.994 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.569 -16.013 26.555 1.00 22.42 H new ATOM 833 N LYS A 54 18.046 -16.457 24.563 1.00 53.33 N ATOM 834 CA LYS A 54 17.383 -17.018 23.403 1.00 53.43 C ATOM 835 C LYS A 54 16.058 -16.318 23.106 1.00 54.24 C ATOM 836 O LYS A 54 14.992 -16.737 23.546 1.00 72.35 O ATOM 837 CB LYS A 54 17.191 -18.535 23.587 1.00 14.34 C ATOM 838 CG LYS A 54 16.945 -18.984 25.032 1.00 2.25 C ATOM 839 CD LYS A 54 15.494 -18.819 25.456 1.00 62.01 C ATOM 840 CE LYS A 54 15.301 -19.126 26.933 1.00 22.54 C ATOM 841 NZ LYS A 54 13.868 -19.074 27.324 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.841 -16.939 25.438 1.00 53.33 H new ATOM 0 HA LYS A 54 18.022 -16.851 22.536 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.349 -18.857 22.974 1.00 14.34 H new ATOM 0 HB3 LYS A 54 18.076 -19.047 23.208 1.00 14.34 H new ATOM 0 HG2 LYS A 54 17.234 -20.030 25.138 1.00 2.25 H new ATOM 0 HG3 LYS A 54 17.583 -18.407 25.702 1.00 2.25 H new ATOM 0 HD2 LYS A 54 15.169 -17.799 25.251 1.00 62.01 H new ATOM 0 HD3 LYS A 54 14.864 -19.480 24.861 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.703 -20.115 27.154 1.00 22.54 H new ATOM 0 HE3 LYS A 54 15.867 -18.411 27.530 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.777 -19.289 28.338 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.491 -18.123 27.136 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 13.332 -19.774 26.772 1.00 20.32 H new ATOM 855 N VAL A 55 16.147 -15.237 22.355 1.00 2.14 N ATOM 856 CA VAL A 55 14.974 -14.542 21.863 1.00 11.43 C ATOM 857 C VAL A 55 15.367 -13.635 20.708 1.00 43.22 C ATOM 858 O VAL A 55 16.331 -12.872 20.803 1.00 65.24 O ATOM 859 CB VAL A 55 14.270 -13.726 22.976 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.204 -12.682 23.572 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.002 -13.075 22.447 1.00 74.12 C ATOM 0 H VAL A 55 17.032 -14.817 22.070 1.00 2.14 H new ATOM 0 HA VAL A 55 14.261 -15.290 21.517 1.00 11.43 H new ATOM 0 HB VAL A 55 13.994 -14.418 23.771 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.680 -12.127 24.350 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.075 -13.176 24.003 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.527 -11.994 22.790 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.524 -12.507 23.245 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.253 -12.405 21.625 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.319 -13.846 22.091 1.00 74.12 H new ATOM 871 N ARG A 56 14.655 -13.748 19.603 1.00 3.44 N ATOM 872 CA ARG A 56 14.897 -12.889 18.458 1.00 30.34 C ATOM 873 C ARG A 56 13.592 -12.299 17.979 1.00 34.22 C ATOM 874 O ARG A 56 12.664 -13.025 17.621 1.00 45.24 O ATOM 875 CB ARG A 56 15.565 -13.659 17.320 1.00 31.13 C ATOM 876 CG ARG A 56 16.927 -14.214 17.674 1.00 60.22 C ATOM 877 CD ARG A 56 17.944 -13.110 17.905 1.00 12.52 C ATOM 878 NE ARG A 56 18.549 -13.205 19.229 1.00 73.32 N ATOM 879 CZ ARG A 56 19.781 -13.651 19.452 1.00 41.54 C ATOM 880 NH1 ARG A 56 20.542 -14.052 18.444 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.263 -13.693 20.685 1.00 53.04 N ATOM 0 H ARG A 56 13.904 -14.426 19.473 1.00 3.44 H new ATOM 0 HA ARG A 56 15.570 -12.090 18.768 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.915 -14.481 17.020 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.665 -13.000 16.458 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.847 -14.828 18.571 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.274 -14.865 16.872 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.722 -13.167 17.144 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.460 -12.140 17.794 1.00 12.52 H new ATOM 0 HE ARG A 56 17.993 -12.911 20.032 1.00 73.32 H new ATOM 0 HH11 ARG A 56 20.183 -14.020 17.490 1.00 41.24 H new ATOM 0 HH12 ARG A 56 21.487 -14.393 18.622 1.00 41.24 H new ATOM 0 HH21 ARG A 56 19.688 -13.382 21.468 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.209 -14.036 20.851 1.00 53.04 H new ATOM 895 N LYS A 57 13.519 -10.984 17.985 1.00 33.31 N ATOM 896 CA LYS A 57 12.339 -10.298 17.508 1.00 4.11 C ATOM 897 C LYS A 57 12.617 -9.729 16.129 1.00 15.33 C ATOM 898 O LYS A 57 13.596 -9.009 15.939 1.00 3.22 O ATOM 899 CB LYS A 57 11.946 -9.172 18.463 1.00 43.11 C ATOM 900 CG LYS A 57 10.587 -8.567 18.151 1.00 71.30 C ATOM 901 CD LYS A 57 10.337 -7.316 18.975 1.00 14.43 C ATOM 902 CE LYS A 57 11.106 -6.124 18.429 1.00 11.33 C ATOM 903 NZ LYS A 57 10.644 -5.748 17.066 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.264 -10.370 18.315 1.00 33.31 H new ATOM 0 HA LYS A 57 11.513 -11.007 17.457 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.940 -9.556 19.483 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.703 -8.389 18.422 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.530 -8.324 17.090 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.806 -9.300 18.352 1.00 71.30 H new ATOM 0 HD2 LYS A 57 9.271 -7.090 18.981 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.630 -7.496 20.009 1.00 14.43 H new ATOM 0 HE2 LYS A 57 10.985 -5.274 19.101 1.00 11.33 H new ATOM 0 HE3 LYS A 57 12.170 -6.359 18.400 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 11.039 -4.821 16.809 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.964 -6.463 16.382 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.605 -5.697 17.053 1.00 52.31 H new ATOM 917 N CYS A 58 11.778 -10.072 15.168 1.00 72.13 N ATOM 918 CA CYS A 58 11.936 -9.571 13.813 1.00 62.31 C ATOM 919 C CYS A 58 11.741 -8.057 13.781 1.00 74.10 C ATOM 920 O CYS A 58 10.992 -7.499 14.591 1.00 14.35 O ATOM 921 CB CYS A 58 10.944 -10.257 12.871 1.00 65.03 C ATOM 922 SG CYS A 58 11.173 -9.840 11.115 1.00 34.12 S ATOM 0 H CYS A 58 10.981 -10.695 15.300 1.00 72.13 H new ATOM 0 HA CYS A 58 12.947 -9.798 13.475 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.033 -11.337 12.991 1.00 65.03 H new ATOM 0 HB3 CYS A 58 9.931 -9.986 13.168 1.00 65.03 H new ATOM 927 N LEU A 59 12.427 -7.400 12.861 1.00 20.31 N ATOM 928 CA LEU A 59 12.371 -5.953 12.739 1.00 35.20 C ATOM 929 C LEU A 59 11.766 -5.562 11.396 1.00 35.41 C ATOM 930 O LEU A 59 11.380 -6.424 10.608 1.00 75.32 O ATOM 931 CB LEU A 59 13.777 -5.359 12.884 1.00 75.13 C ATOM 932 CG LEU A 59 14.472 -5.646 14.219 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.901 -5.127 14.202 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.696 -5.022 15.367 1.00 11.24 C ATOM 0 H LEU A 59 13.036 -7.853 12.180 1.00 20.31 H new ATOM 0 HA LEU A 59 11.739 -5.555 13.533 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.401 -5.744 12.078 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.713 -4.279 12.751 1.00 75.13 H new ATOM 0 HG LEU A 59 14.500 -6.726 14.365 1.00 73.02 H new ATOM 0 HD11 LEU A 59 16.377 -5.341 15.159 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.457 -5.617 13.403 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.895 -4.050 14.032 1.00 24.20 H new ATOM 0 HD21 LEU A 59 14.203 -5.236 16.308 1.00 11.24 H new ATOM 0 HD22 LEU A 59 13.638 -3.943 15.223 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.689 -5.439 15.395 1.00 11.24 H new ATOM 946 N ALA A 60 11.673 -4.265 11.141 1.00 33.55 N ATOM 947 CA ALA A 60 11.140 -3.775 9.877 1.00 14.42 C ATOM 948 C ALA A 60 12.212 -3.811 8.795 1.00 34.01 C ATOM 949 O ALA A 60 11.966 -3.441 7.647 1.00 3.23 O ATOM 950 CB ALA A 60 10.587 -2.368 10.043 1.00 21.55 C ATOM 0 H ALA A 60 11.959 -3.533 11.791 1.00 33.55 H new ATOM 0 HA ALA A 60 10.324 -4.428 9.569 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.193 -2.017 9.089 1.00 21.55 H new ATOM 0 HB2 ALA A 60 9.788 -2.376 10.785 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.383 -1.701 10.374 1.00 21.55 H new ATOM 956 N ASN A 61 13.402 -4.248 9.174 1.00 62.21 N ATOM 957 CA ASN A 61 14.496 -4.428 8.231 1.00 25.33 C ATOM 958 C ASN A 61 14.828 -5.911 8.118 1.00 24.31 C ATOM 959 O ASN A 61 14.429 -6.705 8.970 1.00 33.40 O ATOM 960 CB ASN A 61 15.731 -3.624 8.665 1.00 32.31 C ATOM 961 CG ASN A 61 16.247 -4.010 10.042 1.00 74.35 C ATOM 962 OD1 ASN A 61 15.808 -3.470 11.056 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.199 -4.930 10.088 1.00 4.55 N ATOM 0 H ASN A 61 13.637 -4.487 10.137 1.00 62.21 H new ATOM 0 HA ASN A 61 14.188 -4.056 7.254 1.00 25.33 H new ATOM 0 HB2 ASN A 61 16.526 -3.769 7.933 1.00 32.31 H new ATOM 0 HB3 ASN A 61 15.484 -2.562 8.662 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.593 -5.212 10.986 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.538 -5.356 9.226 1.00 4.55 H new ATOM 970 N GLY A 62 15.575 -6.281 7.084 1.00 21.23 N ATOM 971 CA GLY A 62 15.835 -7.686 6.812 1.00 43.34 C ATOM 972 C GLY A 62 16.921 -8.283 7.690 1.00 30.15 C ATOM 973 O GLY A 62 17.870 -8.887 7.190 1.00 74.22 O ATOM 0 H GLY A 62 16.007 -5.632 6.426 1.00 21.23 H new ATOM 0 HA2 GLY A 62 14.914 -8.251 6.952 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.122 -7.798 5.766 1.00 43.34 H new ATOM 977 N SER A 63 16.789 -8.113 8.997 1.00 32.44 N ATOM 978 CA SER A 63 17.734 -8.677 9.950 1.00 55.04 C ATOM 979 C SER A 63 17.067 -8.833 11.313 1.00 64.31 C ATOM 980 O SER A 63 16.202 -8.039 11.682 1.00 34.44 O ATOM 981 CB SER A 63 18.978 -7.786 10.088 1.00 2.41 C ATOM 982 OG SER A 63 19.603 -7.558 8.834 1.00 62.04 O ATOM 0 H SER A 63 16.029 -7.584 9.425 1.00 32.44 H new ATOM 0 HA SER A 63 18.046 -9.653 9.579 1.00 55.04 H new ATOM 0 HB2 SER A 63 18.695 -6.832 10.532 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.688 -8.256 10.768 1.00 2.41 H new ATOM 0 HG SER A 63 20.389 -6.987 8.959 1.00 62.04 H new ATOM 988 N TRP A 64 17.461 -9.862 12.044 1.00 43.33 N ATOM 989 CA TRP A 64 16.975 -10.059 13.400 1.00 43.33 C ATOM 990 C TRP A 64 17.785 -9.187 14.356 1.00 14.23 C ATOM 991 O TRP A 64 18.721 -8.508 13.933 1.00 63.32 O ATOM 992 CB TRP A 64 17.077 -11.533 13.806 1.00 65.43 C ATOM 993 CG TRP A 64 16.212 -12.451 12.985 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.546 -13.066 11.811 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.871 -12.864 13.282 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.498 -13.836 11.364 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.457 -13.724 12.247 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.977 -12.587 14.321 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.194 -14.312 12.227 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.724 -13.170 14.298 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.341 -14.021 13.256 1.00 30.45 C ATOM 0 H TRP A 64 18.116 -10.574 11.722 1.00 43.33 H new ATOM 0 HA TRP A 64 15.925 -9.771 13.447 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.115 -11.853 13.719 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.800 -11.631 14.856 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.496 -12.962 11.307 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.496 -14.399 10.513 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.261 -11.928 15.128 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.899 -14.975 11.427 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.029 -12.965 15.098 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.353 -14.457 13.264 1.00 30.45 H new ATOM 1012 N THR A 65 17.433 -9.212 15.632 1.00 64.24 N ATOM 1013 CA THR A 65 18.094 -8.375 16.624 1.00 62.45 C ATOM 1014 C THR A 65 19.559 -8.775 16.839 1.00 71.12 C ATOM 1015 O THR A 65 20.392 -7.946 17.204 1.00 30.41 O ATOM 1016 CB THR A 65 17.335 -8.423 17.965 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.938 -9.773 18.258 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.108 -7.520 17.927 1.00 4.51 C ATOM 0 H THR A 65 16.692 -9.804 16.007 1.00 64.24 H new ATOM 0 HA THR A 65 18.083 -7.356 16.237 1.00 62.45 H new ATOM 0 HB THR A 65 18.003 -8.065 18.749 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.458 -9.795 19.112 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.589 -7.571 18.884 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.418 -6.493 17.736 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.438 -7.850 17.133 1.00 4.51 H new ATOM 1026 N ASP A 66 19.868 -10.043 16.603 1.00 71.12 N ATOM 1027 CA ASP A 66 21.225 -10.549 16.777 1.00 34.33 C ATOM 1028 C ASP A 66 21.398 -11.844 16.004 1.00 13.42 C ATOM 1029 O ASP A 66 20.478 -12.664 15.966 1.00 3.12 O ATOM 1030 CB ASP A 66 21.505 -10.815 18.265 1.00 63.41 C ATOM 1031 CG ASP A 66 22.898 -11.360 18.521 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.090 -12.591 18.423 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.803 -10.560 18.842 1.00 24.04 O1- ATOM 0 H ASP A 66 19.196 -10.743 16.289 1.00 71.12 H new ATOM 0 HA ASP A 66 21.924 -9.801 16.403 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.376 -9.888 18.824 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.769 -11.523 18.646 1.00 63.41 H new ATOM 1038 N MET A 67 22.548 -12.030 15.367 1.00 22.12 N ATOM 1039 CA MET A 67 22.904 -13.355 14.892 1.00 54.13 C ATOM 1040 C MET A 67 24.313 -13.711 15.339 1.00 53.22 C ATOM 1041 O MET A 67 25.269 -13.638 14.560 1.00 32.02 O ATOM 1042 CB MET A 67 22.846 -13.429 13.359 1.00 11.22 C ATOM 1043 CG MET A 67 21.474 -13.194 12.756 1.00 72.34 C ATOM 1044 SD MET A 67 21.504 -13.316 10.955 1.00 2.02 S ATOM 1045 CE MET A 67 19.792 -12.990 10.556 1.00 10.45 C ATOM 0 H MET A 67 23.232 -11.299 15.172 1.00 22.12 H new ATOM 0 HA MET A 67 22.186 -14.058 15.313 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.537 -12.693 12.949 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.201 -14.410 13.044 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.770 -13.923 13.158 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.113 -12.208 13.048 1.00 72.34 H new ATOM 0 HE1 MET A 67 19.689 -12.856 9.479 1.00 10.45 H new ATOM 0 HE2 MET A 67 19.177 -13.831 10.877 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.465 -12.085 11.068 1.00 10.45 H new ATOM 1055 N ASP A 68 24.433 -14.059 16.611 1.00 24.31 N ATOM 1056 CA ASP A 68 25.577 -14.785 17.141 1.00 2.01 C ATOM 1057 C ASP A 68 25.269 -15.211 18.567 1.00 63.14 C ATOM 1058 O ASP A 68 25.535 -14.463 19.507 1.00 55.15 O ATOM 1059 CB ASP A 68 26.860 -13.949 17.098 1.00 13.54 C ATOM 1060 CG ASP A 68 28.083 -14.766 17.469 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.548 -14.664 18.621 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.586 -15.515 16.600 1.00 51.53 O1- ATOM 0 H ASP A 68 23.727 -13.842 17.315 1.00 24.31 H new ATOM 0 HA ASP A 68 25.751 -15.661 16.516 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.990 -13.535 16.098 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.766 -13.106 17.782 1.00 13.54 H new ATOM 1067 N THR A 69 24.679 -16.374 18.752 1.00 35.52 N ATOM 1068 CA THR A 69 24.289 -16.784 20.089 1.00 74.33 C ATOM 1069 C THR A 69 24.372 -18.296 20.253 1.00 61.54 C ATOM 1070 O THR A 69 23.519 -19.033 19.755 1.00 13.04 O ATOM 1071 CB THR A 69 22.860 -16.304 20.419 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.688 -14.943 19.999 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.581 -16.388 21.910 1.00 22.51 C ATOM 0 H THR A 69 24.462 -17.041 18.012 1.00 35.52 H new ATOM 0 HA THR A 69 24.989 -16.321 20.785 1.00 74.33 H new ATOM 0 HB THR A 69 22.165 -16.955 19.889 1.00 11.41 H new ATOM 0 HG1 THR A 69 23.083 -14.343 20.665 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.567 -16.043 22.110 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.685 -17.421 22.242 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.291 -15.760 22.449 1.00 22.51 H new ATOM 1081 N PRO A 70 25.426 -18.776 20.924 1.00 34.41 N ATOM 1082 CA PRO A 70 25.592 -20.188 21.234 1.00 42.43 C ATOM 1083 C PRO A 70 24.764 -20.593 22.448 1.00 23.34 C ATOM 1084 O PRO A 70 25.180 -20.395 23.592 1.00 64.14 O ATOM 1085 CB PRO A 70 27.095 -20.332 21.533 1.00 61.51 C ATOM 1086 CG PRO A 70 27.690 -18.967 21.348 1.00 11.35 C ATOM 1087 CD PRO A 70 26.554 -17.988 21.427 1.00 41.03 C ATOM 0 HA PRO A 70 25.257 -20.829 20.418 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.257 -20.693 22.549 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.559 -21.053 20.860 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.433 -18.761 22.118 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.199 -18.893 20.387 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.386 -17.642 22.447 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.736 -17.104 20.817 1.00 41.03 H new ATOM 1095 N SER A 71 23.577 -21.121 22.194 1.00 21.45 N ATOM 1096 CA SER A 71 22.687 -21.553 23.257 1.00 53.41 C ATOM 1097 C SER A 71 23.170 -22.874 23.855 1.00 14.12 C ATOM 1098 O SER A 71 23.183 -23.908 23.183 1.00 73.30 O ATOM 1099 CB SER A 71 21.260 -21.678 22.715 1.00 41.55 C ATOM 1100 OG SER A 71 21.245 -22.374 21.478 1.00 70.34 O ATOM 0 H SER A 71 23.207 -21.261 21.254 1.00 21.45 H new ATOM 0 HA SER A 71 22.690 -20.809 24.054 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.637 -22.203 23.439 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.829 -20.686 22.583 1.00 41.55 H new ATOM 0 HG SER A 71 21.844 -23.148 21.531 1.00 70.34 H new ATOM 1106 N ARG A 72 23.593 -22.829 25.112 1.00 45.03 N ATOM 1107 CA ARG A 72 24.117 -24.010 25.782 1.00 4.44 C ATOM 1108 C ARG A 72 22.988 -24.913 26.269 1.00 75.30 C ATOM 1109 O ARG A 72 22.193 -24.532 27.134 1.00 23.40 O ATOM 1110 CB ARG A 72 25.019 -23.612 26.958 1.00 34.44 C ATOM 1111 CG ARG A 72 24.357 -22.663 27.947 1.00 12.31 C ATOM 1112 CD ARG A 72 25.161 -22.522 29.229 1.00 24.33 C ATOM 1113 NE ARG A 72 26.490 -21.966 28.995 1.00 52.22 N ATOM 1114 CZ ARG A 72 26.962 -20.888 29.618 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.205 -20.253 30.506 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.194 -20.457 29.364 1.00 31.31 N ATOM 0 H ARG A 72 23.583 -21.987 25.687 1.00 45.03 H new ATOM 0 HA ARG A 72 24.711 -24.566 25.057 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.330 -24.513 27.486 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.923 -23.143 26.568 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.238 -21.683 27.485 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.357 -23.027 28.185 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.620 -21.881 29.925 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.257 -23.499 29.703 1.00 24.33 H new ATOM 0 HE ARG A 72 27.092 -22.430 28.315 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.265 -20.591 30.709 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.564 -19.427 30.985 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.779 -20.952 28.691 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.554 -19.631 29.842 1.00 31.31 H new ATOM 1130 N CYS A 73 22.910 -26.103 25.696 1.00 4.41 N ATOM 1131 CA CYS A 73 21.924 -27.083 26.116 1.00 74.22 C ATOM 1132 C CYS A 73 22.400 -27.789 27.379 1.00 15.32 C ATOM 1133 O CYS A 73 23.262 -28.670 27.332 1.00 21.44 O ATOM 1134 CB CYS A 73 21.655 -28.094 24.999 1.00 72.10 C ATOM 1135 SG CYS A 73 20.308 -29.267 25.367 1.00 53.24 S ATOM 0 H CYS A 73 23.518 -26.413 24.938 1.00 4.41 H new ATOM 0 HA CYS A 73 20.989 -26.568 26.334 1.00 74.22 H new ATOM 0 HB2 CYS A 73 21.412 -27.553 24.084 1.00 72.10 H new ATOM 0 HB3 CYS A 73 22.569 -28.656 24.804 1.00 72.10 H new ATOM 1140 N VAL A 74 21.859 -27.364 28.508 1.00 70.53 N ATOM 1141 CA VAL A 74 22.230 -27.910 29.799 1.00 64.52 C ATOM 1142 C VAL A 74 21.199 -27.496 30.844 1.00 43.42 C ATOM 1143 O VAL A 74 20.683 -26.377 30.809 1.00 34.31 O ATOM 1144 CB VAL A 74 23.650 -27.454 30.219 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.719 -25.941 30.397 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.097 -28.173 31.482 1.00 43.31 C ATOM 0 H VAL A 74 21.151 -26.631 28.554 1.00 70.53 H new ATOM 0 HA VAL A 74 22.248 -28.997 29.723 1.00 64.52 H new ATOM 0 HB VAL A 74 24.336 -27.721 29.415 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.729 -25.655 30.692 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.463 -25.452 29.457 1.00 11.41 H new ATOM 0 HG13 VAL A 74 23.015 -25.633 31.170 1.00 11.41 H new ATOM 0 HG21 VAL A 74 25.097 -27.837 31.758 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.403 -27.950 32.292 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.112 -29.248 31.303 1.00 43.31 H new ATOM 1156 N ARG A 75 20.880 -28.403 31.751 1.00 64.45 N ATOM 1157 CA ARG A 75 19.839 -28.160 32.731 1.00 54.13 C ATOM 1158 C ARG A 75 20.350 -28.469 34.129 1.00 45.21 C ATOM 1159 O ARG A 75 20.639 -27.519 34.885 1.00 37.22 O ATOM 1160 CB ARG A 75 18.614 -29.019 32.409 1.00 55.34 C ATOM 1161 CG ARG A 75 17.322 -28.231 32.280 1.00 43.51 C ATOM 1162 CD ARG A 75 16.911 -27.599 33.598 1.00 51.22 C ATOM 1163 NE ARG A 75 16.719 -28.595 34.649 1.00 74.41 N ATOM 1164 CZ ARG A 75 15.546 -29.170 34.922 1.00 23.14 C ATOM 1165 NH1 ARG A 75 14.483 -28.919 34.167 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 15.449 -30.011 35.941 1.00 4.05 N ATOM 1167 OXT ARG A 75 20.473 -29.661 34.461 1.00 37.22 O ATOM 0 H ARG A 75 21.329 -29.316 31.828 1.00 64.45 H new ATOM 0 HA ARG A 75 19.553 -27.109 32.693 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.794 -29.556 31.478 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.493 -29.769 33.191 1.00 55.34 H new ATOM 0 HG2 ARG A 75 17.445 -27.453 31.527 1.00 43.51 H new ATOM 0 HG3 ARG A 75 16.528 -28.890 31.930 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.673 -26.885 33.911 1.00 51.22 H new ATOM 0 HD3 ARG A 75 15.987 -27.038 33.458 1.00 51.22 H new ATOM 0 HE ARG A 75 17.529 -28.867 35.207 1.00 74.41 H new ATOM 0 HH11 ARG A 75 14.560 -28.283 33.373 1.00 33.54 H new ATOM 0 HH12 ARG A 75 13.589 -29.362 34.381 1.00 33.54 H new ATOM 0 HH21 ARG A 75 16.268 -30.216 36.513 1.00 4.05 H new ATOM 0 HH22 ARG A 75 14.555 -30.453 36.154 1.00 4.05 H new