USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 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 63 SER OG : rot 180:sc= -0.0919 USER MOD Set 1.2: A 67 MET CE :methyl -112:sc= -2.85 (180deg=-3.9!) USER MOD Single : A 4 SER OG : rot 41:sc= 0.163 USER MOD Single : A 8 GLN : amide:sc= -1.45! K(o=-1.5!,f=-0.15) USER MOD Single : A 11 HIS : no HE2:sc=-3.04e-05 X(o=-3e-05,f=-0.067) USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 27 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.081) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.0127 (180deg=0.00275) USER MOD Single : A 32 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.6!) USER MOD Single : A 38 TYR OH : rot -166:sc= -2.53! USER MOD Single : A 42 TYR OH : rot 80:sc= 0.503 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= 1.21 (180deg=1.1) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 2.41 (180deg=0.891) USER MOD Single : A 61 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.5) USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.57 USER MOD Single : A 69 THR OG1 : rot -19:sc= 0.747 USER MOD Single : A 71 SER OG : rot 42:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 8.861 -7.217 -0.197 1.00 71.02 N ATOM 39 CA SER A 4 8.475 -8.046 0.928 1.00 42.34 C ATOM 40 C SER A 4 9.529 -7.916 2.021 1.00 25.41 C ATOM 41 O SER A 4 10.595 -8.526 1.946 1.00 72.11 O ATOM 42 CB SER A 4 8.333 -9.504 0.487 1.00 74.12 C ATOM 43 OG SER A 4 7.496 -9.611 -0.654 1.00 34.13 O ATOM 0 HA SER A 4 7.511 -7.716 1.315 1.00 42.34 H new ATOM 0 HB2 SER A 4 9.316 -9.917 0.261 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.919 -10.096 1.303 1.00 74.12 H new ATOM 0 HG SER A 4 7.694 -8.879 -1.275 1.00 34.13 H new ATOM 49 N GLU A 5 9.250 -7.092 3.017 1.00 73.11 N ATOM 50 CA GLU A 5 10.231 -6.811 4.049 1.00 2.22 C ATOM 51 C GLU A 5 10.019 -7.707 5.259 1.00 63.11 C ATOM 52 O GLU A 5 9.035 -7.572 5.988 1.00 33.12 O ATOM 53 CB GLU A 5 10.183 -5.335 4.449 1.00 74.03 C ATOM 54 CG GLU A 5 10.455 -4.396 3.283 1.00 3.23 C ATOM 55 CD GLU A 5 10.587 -2.953 3.713 1.00 61.35 C ATOM 56 OE1 GLU A 5 11.722 -2.434 3.719 1.00 21.51 O ATOM 57 OE2 GLU A 5 9.558 -2.328 4.043 1.00 22.25 O1- ATOM 0 H GLU A 5 8.359 -6.609 3.132 1.00 73.11 H new ATOM 0 HA GLU A 5 11.221 -7.023 3.644 1.00 2.22 H new ATOM 0 HB2 GLU A 5 9.203 -5.109 4.869 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.916 -5.153 5.234 1.00 74.03 H new ATOM 0 HG2 GLU A 5 11.370 -4.706 2.779 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.647 -4.482 2.557 1.00 3.23 H new ATOM 64 N GLY A 6 10.937 -8.641 5.438 1.00 13.15 N ATOM 65 CA GLY A 6 10.879 -9.547 6.559 1.00 42.42 C ATOM 66 C GLY A 6 12.221 -10.195 6.812 1.00 52.24 C ATOM 67 O GLY A 6 13.194 -9.923 6.103 1.00 3.43 O ATOM 0 H GLY A 6 11.732 -8.788 4.816 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.560 -9.006 7.450 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.131 -10.317 6.369 1.00 42.42 H new ATOM 71 N CYS A 7 12.279 -11.051 7.813 1.00 10.20 N ATOM 72 CA CYS A 7 13.500 -11.770 8.135 1.00 70.11 C ATOM 73 C CYS A 7 13.444 -13.176 7.550 1.00 4.44 C ATOM 74 O CYS A 7 12.376 -13.779 7.484 1.00 72.14 O ATOM 75 CB CYS A 7 13.673 -11.835 9.650 1.00 4.33 C ATOM 76 SG CYS A 7 13.401 -10.241 10.484 1.00 21.12 S ATOM 0 H CYS A 7 11.490 -11.268 8.422 1.00 10.20 H new ATOM 0 HA CYS A 7 14.352 -11.245 7.703 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.978 -12.571 10.055 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.679 -12.187 9.878 1.00 4.33 H new ATOM 81 N GLN A 8 14.584 -13.688 7.113 1.00 15.12 N ATOM 82 CA GLN A 8 14.644 -15.030 6.544 1.00 64.14 C ATOM 83 C GLN A 8 14.881 -16.064 7.638 1.00 64.22 C ATOM 84 O GLN A 8 14.964 -15.721 8.822 1.00 1.10 O ATOM 85 CB GLN A 8 15.754 -15.137 5.497 1.00 50.41 C ATOM 86 CG GLN A 8 17.153 -14.958 6.070 1.00 43.35 C ATOM 87 CD GLN A 8 18.250 -15.492 5.163 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.353 -14.947 5.124 1.00 41.23 O ATOM 89 NE2 GLN A 8 17.976 -16.582 4.461 1.00 23.50 N ATOM 0 H GLN A 8 15.479 -13.199 7.140 1.00 15.12 H new ATOM 0 HA GLN A 8 13.686 -15.225 6.061 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.691 -16.111 5.012 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.588 -14.385 4.725 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.329 -13.898 6.255 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.210 -15.464 7.034 1.00 43.35 H new ATOM 0 HE21 GLN A 8 17.050 -17.006 4.518 1.00 23.50 H new ATOM 0 HE22 GLN A 8 18.691 -16.997 3.863 1.00 23.50 H new ATOM 98 N ILE A 9 15.000 -17.323 7.240 1.00 54.54 N ATOM 99 CA ILE A 9 15.269 -18.400 8.177 1.00 64.42 C ATOM 100 C ILE A 9 16.777 -18.563 8.369 1.00 73.43 C ATOM 101 O ILE A 9 17.525 -18.748 7.409 1.00 71.43 O ATOM 102 CB ILE A 9 14.658 -19.737 7.695 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.128 -19.642 7.657 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.101 -20.886 8.592 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.444 -20.913 7.188 1.00 23.41 C ATOM 0 H ILE A 9 14.914 -17.623 6.269 1.00 54.54 H new ATOM 0 HA ILE A 9 14.804 -18.138 9.127 1.00 64.42 H new ATOM 0 HB ILE A 9 15.018 -19.935 6.685 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.765 -19.392 8.654 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.841 -18.822 6.998 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.660 -21.817 8.235 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.188 -20.967 8.569 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.773 -20.697 9.614 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.364 -20.766 7.189 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.777 -21.154 6.178 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.699 -21.733 7.860 1.00 23.41 H new ATOM 117 N ILE A 10 17.212 -18.475 9.618 1.00 1.44 N ATOM 118 CA ILE A 10 18.626 -18.574 9.955 1.00 53.14 C ATOM 119 C ILE A 10 19.064 -20.034 9.980 1.00 15.30 C ATOM 120 O ILE A 10 18.254 -20.918 10.255 1.00 44.43 O ATOM 121 CB ILE A 10 18.905 -17.954 11.342 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.127 -16.650 11.519 1.00 13.24 C ATOM 123 CG2 ILE A 10 20.397 -17.705 11.524 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.159 -16.123 12.937 1.00 42.33 C ATOM 0 H ILE A 10 16.600 -18.334 10.422 1.00 1.44 H new ATOM 0 HA ILE A 10 19.186 -18.030 9.194 1.00 53.14 H new ATOM 0 HB ILE A 10 18.572 -18.660 12.103 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.539 -15.895 10.849 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.091 -16.810 11.221 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.576 -17.268 12.506 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.936 -18.649 11.443 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.748 -17.020 10.753 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.588 -15.196 12.994 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.721 -16.861 13.609 1.00 42.33 H new ATOM 0 HD13 ILE A 10 19.191 -15.932 13.231 1.00 42.33 H new ATOM 136 N HIS A 11 20.330 -20.288 9.673 1.00 11.24 N ATOM 137 CA HIS A 11 20.888 -21.626 9.819 1.00 24.14 C ATOM 138 C HIS A 11 20.843 -22.041 11.291 1.00 73.03 C ATOM 139 O HIS A 11 21.077 -21.216 12.179 1.00 11.43 O ATOM 140 CB HIS A 11 22.336 -21.682 9.301 1.00 24.23 C ATOM 141 CG HIS A 11 23.338 -20.988 10.183 1.00 51.10 C ATOM 142 ND1 HIS A 11 24.119 -21.652 11.107 1.00 34.40 N ATOM 143 CD2 HIS A 11 23.680 -19.682 10.279 1.00 73.31 C ATOM 144 CE1 HIS A 11 24.893 -20.786 11.730 1.00 41.44 C ATOM 145 NE2 HIS A 11 24.645 -19.584 11.249 1.00 32.35 N ATOM 0 H HIS A 11 20.986 -19.590 9.323 1.00 11.24 H new ATOM 0 HA HIS A 11 20.290 -22.317 9.225 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.629 -22.726 9.190 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.372 -21.233 8.308 1.00 24.23 H new ATOM 0 HD1 HIS A 11 24.100 -22.657 11.281 1.00 34.40 H new ATOM 0 HD2 HIS A 11 23.269 -18.868 9.700 1.00 73.31 H new ATOM 0 HE1 HIS A 11 25.609 -21.021 12.503 1.00 41.44 H new ATOM 154 N PRO A 12 20.533 -23.310 11.570 1.00 62.10 N ATOM 155 CA PRO A 12 20.487 -23.824 12.938 1.00 31.33 C ATOM 156 C PRO A 12 21.864 -23.798 13.598 1.00 62.52 C ATOM 157 O PRO A 12 22.888 -23.903 12.919 1.00 11.24 O ATOM 158 CB PRO A 12 20.002 -25.271 12.775 1.00 52.40 C ATOM 159 CG PRO A 12 19.424 -25.337 11.402 1.00 51.45 C ATOM 160 CD PRO A 12 20.197 -24.345 10.584 1.00 4.22 C ATOM 0 HA PRO A 12 19.840 -23.222 13.577 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.824 -25.977 12.891 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.256 -25.524 13.529 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.515 -26.341 10.987 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.362 -25.092 11.413 1.00 51.45 H new ATOM 0 HD2 PRO A 12 21.089 -24.790 10.144 1.00 4.22 H new ATOM 0 HD3 PRO A 12 19.602 -23.945 9.763 1.00 4.22 H new ATOM 168 N PRO A 13 21.902 -23.624 14.929 1.00 72.42 N ATOM 169 CA PRO A 13 23.139 -23.694 15.706 1.00 11.03 C ATOM 170 C PRO A 13 23.577 -25.146 15.910 1.00 21.12 C ATOM 171 O PRO A 13 23.613 -25.928 14.960 1.00 10.42 O ATOM 172 CB PRO A 13 22.762 -23.043 17.054 1.00 63.12 C ATOM 173 CG PRO A 13 21.363 -22.532 16.892 1.00 12.24 C ATOM 174 CD PRO A 13 20.750 -23.337 15.786 1.00 11.22 C ATOM 0 HA PRO A 13 23.974 -23.196 15.212 1.00 11.03 H new ATOM 0 HB2 PRO A 13 22.821 -23.767 17.866 1.00 63.12 H new ATOM 0 HB3 PRO A 13 23.447 -22.232 17.300 1.00 63.12 H new ATOM 0 HG2 PRO A 13 20.797 -22.646 17.817 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.362 -21.470 16.647 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.283 -24.249 16.158 1.00 11.22 H new ATOM 0 HD3 PRO A 13 19.979 -22.778 15.256 1.00 11.22 H new ATOM 182 N TRP A 14 23.911 -25.505 17.142 1.00 13.53 N ATOM 183 CA TRP A 14 24.271 -26.882 17.456 1.00 55.11 C ATOM 184 C TRP A 14 23.005 -27.743 17.497 1.00 13.40 C ATOM 185 O TRP A 14 21.914 -27.227 17.254 1.00 31.14 O ATOM 186 CB TRP A 14 25.029 -26.938 18.785 1.00 53.25 C ATOM 187 CG TRP A 14 26.112 -27.972 18.800 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.173 -29.088 19.579 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.295 -27.983 17.988 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.319 -29.793 19.302 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.023 -29.136 18.328 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.803 -27.132 17.002 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.232 -29.458 17.722 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.004 -27.451 16.402 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.707 -28.606 16.762 1.00 71.42 C ATOM 0 H TRP A 14 23.940 -24.866 17.937 1.00 13.53 H new ATOM 0 HA TRP A 14 24.930 -27.276 16.682 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.465 -25.960 18.989 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.324 -27.147 19.590 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.430 -29.376 20.307 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.600 -30.665 19.750 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.265 -26.241 16.715 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.777 -30.348 17.999 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.408 -26.798 15.642 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.643 -28.830 16.272 1.00 71.42 H new ATOM 206 N GLU A 15 23.155 -29.044 17.783 1.00 44.34 N ATOM 207 CA GLU A 15 22.027 -29.989 17.788 1.00 22.34 C ATOM 208 C GLU A 15 20.788 -29.426 18.482 1.00 24.33 C ATOM 209 O GLU A 15 20.696 -29.403 19.711 1.00 3.10 O ATOM 210 CB GLU A 15 22.409 -31.317 18.448 1.00 35.12 C ATOM 211 CG GLU A 15 23.337 -32.186 17.615 1.00 53.31 C ATOM 212 CD GLU A 15 24.786 -31.764 17.707 1.00 41.30 C ATOM 213 OE1 GLU A 15 25.480 -32.218 18.644 1.00 63.35 O ATOM 214 OE2 GLU A 15 25.245 -30.995 16.837 1.00 74.13 O1- ATOM 0 H GLU A 15 24.053 -29.469 18.016 1.00 44.34 H new ATOM 0 HA GLU A 15 21.783 -30.160 16.739 1.00 22.34 H new ATOM 0 HB2 GLU A 15 22.887 -31.109 19.405 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.499 -31.878 18.661 1.00 35.12 H new ATOM 0 HG2 GLU A 15 23.245 -33.222 17.941 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.020 -32.151 16.573 1.00 53.31 H new ATOM 221 N GLY A 16 19.842 -28.972 17.676 1.00 71.54 N ATOM 222 CA GLY A 16 18.623 -28.400 18.188 1.00 11.25 C ATOM 223 C GLY A 16 17.776 -27.847 17.067 1.00 0.41 C ATOM 224 O GLY A 16 17.739 -28.418 15.979 1.00 33.22 O ATOM 0 H GLY A 16 19.903 -28.992 16.658 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.062 -29.158 18.733 1.00 11.25 H new ATOM 0 HA3 GLY A 16 18.859 -27.606 18.897 1.00 11.25 H new ATOM 228 N GLY A 17 17.103 -26.741 17.321 1.00 23.54 N ATOM 229 CA GLY A 17 16.308 -26.110 16.293 1.00 23.21 C ATOM 230 C GLY A 17 15.764 -24.772 16.734 1.00 4.21 C ATOM 231 O GLY A 17 16.151 -24.250 17.780 1.00 73.45 O ATOM 0 H GLY A 17 17.092 -26.266 18.224 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.915 -25.976 15.397 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.480 -26.766 16.022 1.00 23.21 H new ATOM 235 N ILE A 18 14.862 -24.216 15.944 1.00 13.11 N ATOM 236 CA ILE A 18 14.255 -22.943 16.270 1.00 4.12 C ATOM 237 C ILE A 18 12.756 -23.086 16.436 1.00 21.53 C ATOM 238 O ILE A 18 12.059 -23.593 15.556 1.00 64.33 O ATOM 239 CB ILE A 18 14.582 -21.871 15.212 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.022 -21.407 15.411 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.616 -20.693 15.295 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.462 -20.320 14.450 1.00 70.34 C ATOM 0 H ILE A 18 14.535 -24.629 15.071 1.00 13.11 H new ATOM 0 HA ILE A 18 14.678 -22.614 17.219 1.00 4.12 H new ATOM 0 HB ILE A 18 14.470 -22.305 14.218 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.137 -21.042 16.432 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.687 -22.264 15.302 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.875 -19.956 14.535 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.598 -21.045 15.127 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.684 -20.236 16.282 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.497 -20.047 14.658 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.382 -20.685 13.426 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.824 -19.445 14.574 1.00 70.34 H new ATOM 254 N ARG A 19 12.276 -22.648 17.581 1.00 44.43 N ATOM 255 CA ARG A 19 10.866 -22.697 17.886 1.00 12.34 C ATOM 256 C ARG A 19 10.259 -21.327 17.647 1.00 54.31 C ATOM 257 O ARG A 19 10.606 -20.363 18.322 1.00 14.40 O ATOM 258 CB ARG A 19 10.667 -23.126 19.335 1.00 21.13 C ATOM 259 CG ARG A 19 9.454 -24.024 19.535 1.00 74.22 C ATOM 260 CD ARG A 19 9.665 -25.385 18.887 1.00 2.13 C ATOM 261 NE ARG A 19 8.403 -26.031 18.532 1.00 34.34 N ATOM 262 CZ ARG A 19 8.256 -27.342 18.343 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.247 -28.179 18.630 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.096 -27.813 17.901 1.00 45.00 N ATOM 0 H ARG A 19 12.852 -22.250 18.323 1.00 44.43 H new ATOM 0 HA ARG A 19 10.371 -23.423 17.241 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.559 -23.650 19.677 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.560 -22.238 19.958 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.264 -24.151 20.601 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.571 -23.548 19.108 1.00 74.22 H new ATOM 0 HD2 ARG A 19 10.275 -25.268 17.992 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.220 -26.028 19.570 1.00 2.13 H new ATOM 0 HE ARG A 19 7.580 -25.439 18.422 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.128 -27.819 18.998 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.127 -29.181 18.483 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.326 -27.173 17.709 1.00 45.00 H new ATOM 0 HH22 ARG A 19 6.975 -28.815 17.754 1.00 45.00 H new ATOM 278 N TYR A 20 9.378 -21.234 16.670 1.00 74.35 N ATOM 279 CA TYR A 20 8.806 -19.951 16.295 1.00 40.55 C ATOM 280 C TYR A 20 7.738 -19.516 17.298 1.00 34.25 C ATOM 281 O TYR A 20 7.549 -20.158 18.331 1.00 72.21 O ATOM 282 CB TYR A 20 8.238 -20.035 14.877 1.00 12.44 C ATOM 283 CG TYR A 20 9.298 -20.313 13.828 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.730 -21.610 13.573 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.875 -19.277 13.102 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.703 -21.864 12.625 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.848 -19.526 12.152 1.00 52.11 C ATOM 288 CZ TYR A 20 11.259 -20.821 11.919 1.00 34.52 C ATOM 289 OH TYR A 20 12.228 -21.073 10.974 1.00 22.43 O ATOM 0 H TYR A 20 9.042 -22.026 16.122 1.00 74.35 H new ATOM 0 HA TYR A 20 9.590 -19.194 16.310 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.484 -20.821 14.840 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.735 -19.098 14.637 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.298 -22.432 14.125 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.558 -18.261 13.283 1.00 1.23 H new ATOM 0 HE1 TYR A 20 11.026 -22.878 12.439 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.284 -18.710 11.595 1.00 52.11 H new ATOM 0 HH TYR A 20 12.083 -21.961 10.585 1.00 22.43 H new ATOM 299 N ARG A 21 7.033 -18.440 16.985 1.00 4.04 N ATOM 300 CA ARG A 21 6.074 -17.861 17.919 1.00 43.13 C ATOM 301 C ARG A 21 4.710 -18.525 17.761 1.00 4.10 C ATOM 302 O ARG A 21 4.027 -18.821 18.744 1.00 52.41 O ATOM 303 CB ARG A 21 5.970 -16.349 17.691 1.00 74.30 C ATOM 304 CG ARG A 21 5.213 -15.604 18.778 1.00 52.33 C ATOM 305 CD ARG A 21 5.275 -14.102 18.557 1.00 1.31 C ATOM 306 NE ARG A 21 4.587 -13.361 19.612 1.00 72.30 N ATOM 307 CZ ARG A 21 4.780 -12.067 19.869 1.00 63.53 C ATOM 308 NH1 ARG A 21 5.642 -11.358 19.148 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.111 -11.477 20.847 1.00 24.04 N ATOM 0 H ARG A 21 7.105 -17.949 16.094 1.00 4.04 H new ATOM 0 HA ARG A 21 6.421 -18.037 18.937 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.975 -15.935 17.615 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.479 -16.170 16.735 1.00 74.30 H new ATOM 0 HG2 ARG A 21 4.173 -15.930 18.790 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.635 -15.849 19.753 1.00 52.33 H new ATOM 0 HD2 ARG A 21 6.317 -13.785 18.513 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.827 -13.859 17.593 1.00 1.31 H new ATOM 0 HE ARG A 21 3.915 -13.867 20.189 1.00 72.30 H new ATOM 0 HH11 ARG A 21 6.162 -11.803 18.392 1.00 42.32 H new ATOM 0 HH12 ARG A 21 5.784 -10.369 19.351 1.00 42.32 H new ATOM 0 HH21 ARG A 21 3.446 -12.012 21.406 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.260 -10.487 21.042 1.00 24.04 H new ATOM 323 N GLY A 22 4.330 -18.776 16.518 1.00 11.55 N ATOM 324 CA GLY A 22 3.061 -19.416 16.244 1.00 50.05 C ATOM 325 C GLY A 22 3.078 -20.185 14.942 1.00 71.12 C ATOM 326 O GLY A 22 2.307 -19.886 14.030 1.00 54.54 O ATOM 0 H GLY A 22 4.881 -18.547 15.691 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.814 -20.094 17.061 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.276 -18.661 16.208 1.00 50.05 H new ATOM 330 N LEU A 23 3.967 -21.167 14.848 1.00 51.01 N ATOM 331 CA LEU A 23 4.080 -21.989 13.650 1.00 52.44 C ATOM 332 C LEU A 23 4.195 -23.467 14.010 1.00 5.12 C ATOM 333 O LEU A 23 5.010 -23.857 14.849 1.00 0.51 O ATOM 334 CB LEU A 23 5.286 -21.562 12.805 1.00 44.13 C ATOM 335 CG LEU A 23 5.162 -20.192 12.127 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.425 -19.863 11.346 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.947 -20.146 11.212 1.00 3.33 C ATOM 0 H LEU A 23 4.622 -21.414 15.590 1.00 51.01 H new ATOM 0 HA LEU A 23 3.173 -21.843 13.064 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.170 -21.554 13.442 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.454 -22.315 12.035 1.00 44.13 H new ATOM 0 HG LEU A 23 5.031 -19.442 12.907 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.316 -18.887 10.873 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.278 -19.844 12.025 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.587 -20.622 10.580 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.881 -19.164 10.743 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.043 -20.910 10.441 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.045 -20.330 11.795 1.00 3.33 H new ATOM 349 N THR A 24 3.353 -24.271 13.381 1.00 45.31 N ATOM 350 CA THR A 24 3.371 -25.716 13.544 1.00 75.32 C ATOM 351 C THR A 24 4.179 -26.368 12.417 1.00 64.12 C ATOM 352 O THR A 24 4.786 -25.668 11.596 1.00 23.12 O ATOM 353 CB THR A 24 1.934 -26.293 13.570 1.00 73.21 C ATOM 354 OG1 THR A 24 1.956 -27.667 13.976 1.00 0.00 O ATOM 355 CG2 THR A 24 1.269 -26.176 12.203 1.00 12.52 C ATOM 0 H THR A 24 2.634 -23.938 12.739 1.00 45.31 H new ATOM 0 HA THR A 24 3.846 -25.941 14.499 1.00 75.32 H new ATOM 0 HB THR A 24 1.356 -25.712 14.288 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.041 -28.019 13.990 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.262 -26.589 12.252 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.217 -25.127 11.912 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.852 -26.728 11.466 1.00 12.52 H new ATOM 363 N ARG A 25 4.212 -27.704 12.407 1.00 3.14 N ATOM 364 CA ARG A 25 4.912 -28.467 11.373 1.00 73.32 C ATOM 365 C ARG A 25 4.337 -28.185 9.980 1.00 50.00 C ATOM 366 O ARG A 25 3.488 -27.307 9.819 1.00 5.42 O ATOM 367 CB ARG A 25 4.802 -29.962 11.672 1.00 33.05 C ATOM 368 CG ARG A 25 5.721 -30.450 12.776 1.00 24.32 C ATOM 369 CD ARG A 25 7.179 -30.342 12.367 1.00 10.33 C ATOM 370 NE ARG A 25 8.025 -31.279 13.099 1.00 33.14 N ATOM 371 CZ ARG A 25 9.311 -31.477 12.829 1.00 2.41 C ATOM 372 NH1 ARG A 25 9.925 -30.710 11.938 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 9.982 -32.428 13.462 1.00 62.54 N ATOM 0 H ARG A 25 3.756 -28.283 13.112 1.00 3.14 H new ATOM 0 HA ARG A 25 5.958 -28.159 11.380 1.00 73.32 H new ATOM 0 HB2 ARG A 25 3.772 -30.190 11.946 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.021 -30.519 10.761 1.00 33.05 H new ATOM 0 HG2 ARG A 25 5.550 -29.865 13.680 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.485 -31.486 13.018 1.00 24.32 H new ATOM 0 HD2 ARG A 25 7.270 -30.531 11.297 1.00 10.33 H new ATOM 0 HD3 ARG A 25 7.530 -29.325 12.542 1.00 10.33 H new ATOM 0 HE ARG A 25 7.606 -31.812 13.861 1.00 33.14 H new ATOM 0 HH11 ARG A 25 9.410 -29.970 11.461 1.00 13.30 H new ATOM 0 HH12 ARG A 25 10.912 -30.860 11.729 1.00 13.30 H new ATOM 0 HH21 ARG A 25 9.511 -33.008 14.157 1.00 62.54 H new ATOM 0 HH22 ARG A 25 10.969 -32.580 13.255 1.00 62.54 H new ATOM 387 N ASP A 26 4.796 -28.955 8.982 1.00 11.55 N ATOM 388 CA ASP A 26 4.423 -28.753 7.569 1.00 13.41 C ATOM 389 C ASP A 26 5.032 -27.466 7.008 1.00 2.54 C ATOM 390 O ASP A 26 5.432 -27.407 5.846 1.00 54.04 O ATOM 391 CB ASP A 26 2.897 -28.742 7.386 1.00 51.21 C ATOM 392 CG ASP A 26 2.475 -28.382 5.972 1.00 14.41 C ATOM 393 OD1 ASP A 26 2.639 -29.224 5.063 1.00 15.50 O ATOM 394 OD2 ASP A 26 1.959 -27.262 5.764 1.00 15.44 O1- ATOM 0 H ASP A 26 5.436 -29.736 9.129 1.00 11.55 H new ATOM 0 HA ASP A 26 4.828 -29.596 7.009 1.00 13.41 H new ATOM 0 HB2 ASP A 26 2.498 -29.724 7.640 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.457 -28.029 8.084 1.00 51.21 H new ATOM 399 N GLN A 27 5.108 -26.450 7.851 1.00 2.23 N ATOM 400 CA GLN A 27 5.636 -25.150 7.481 1.00 4.51 C ATOM 401 C GLN A 27 7.137 -25.074 7.740 1.00 2.23 C ATOM 402 O GLN A 27 7.781 -26.095 7.980 1.00 21.25 O ATOM 403 CB GLN A 27 4.917 -24.079 8.298 1.00 41.02 C ATOM 404 CG GLN A 27 3.421 -24.045 8.048 1.00 12.33 C ATOM 405 CD GLN A 27 2.651 -23.270 9.102 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.646 -22.629 8.800 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.085 -23.356 10.349 1.00 42.30 N ATOM 0 H GLN A 27 4.801 -26.506 8.822 1.00 2.23 H new ATOM 0 HA GLN A 27 5.470 -24.989 6.416 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.098 -24.256 9.358 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.341 -23.103 8.061 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.233 -23.600 7.071 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.043 -25.067 8.011 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.923 -23.897 10.561 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.581 -22.881 11.098 1.00 42.30 H new ATOM 416 N VAL A 28 7.670 -23.847 7.646 1.00 40.51 N ATOM 417 CA VAL A 28 9.067 -23.500 7.981 1.00 21.23 C ATOM 418 C VAL A 28 10.088 -24.278 7.144 1.00 20.45 C ATOM 419 O VAL A 28 11.287 -24.247 7.416 1.00 35.23 O ATOM 420 CB VAL A 28 9.387 -23.644 9.500 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.263 -23.065 10.344 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.676 -25.083 9.911 1.00 12.44 C ATOM 0 H VAL A 28 7.129 -23.043 7.326 1.00 40.51 H new ATOM 0 HA VAL A 28 9.160 -22.444 7.726 1.00 21.23 H new ATOM 0 HB VAL A 28 10.299 -23.075 9.681 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.507 -23.176 11.401 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.139 -22.008 10.109 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.336 -23.595 10.128 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.892 -25.120 10.979 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.807 -25.705 9.694 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.536 -25.455 9.354 1.00 12.44 H new ATOM 432 N LYS A 29 9.607 -24.942 6.103 1.00 1.44 N ATOM 433 CA LYS A 29 10.476 -25.665 5.183 1.00 53.22 C ATOM 434 C LYS A 29 11.152 -24.696 4.221 1.00 71.12 C ATOM 435 O LYS A 29 12.250 -24.951 3.722 1.00 33.02 O ATOM 436 CB LYS A 29 9.658 -26.704 4.416 1.00 54.41 C ATOM 437 CG LYS A 29 8.433 -26.121 3.726 1.00 70.52 C ATOM 438 CD LYS A 29 7.469 -27.203 3.279 1.00 33.02 C ATOM 439 CE LYS A 29 6.141 -26.606 2.845 1.00 11.13 C ATOM 440 NZ LYS A 29 5.088 -27.643 2.715 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.615 -24.996 5.873 1.00 1.44 H new ATOM 0 HA LYS A 29 11.253 -26.176 5.750 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.295 -27.178 3.669 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.340 -27.486 5.106 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.923 -25.439 4.406 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.747 -25.535 2.862 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.906 -27.765 2.454 1.00 33.02 H new ATOM 0 HD3 LYS A 29 7.305 -27.908 4.094 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.825 -25.856 3.570 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.267 -26.094 1.891 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 4.262 -27.240 2.228 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 5.457 -28.445 2.166 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.806 -27.972 3.660 1.00 21.55 H new ATOM 454 N ALA A 30 10.481 -23.579 3.972 1.00 52.32 N ATOM 455 CA ALA A 30 11.007 -22.534 3.114 1.00 14.13 C ATOM 456 C ALA A 30 10.200 -21.256 3.282 1.00 61.32 C ATOM 457 O ALA A 30 9.180 -21.058 2.623 1.00 75.11 O ATOM 458 CB ALA A 30 11.000 -22.974 1.656 1.00 4.23 C ATOM 0 H ALA A 30 9.560 -23.375 4.359 1.00 52.32 H new ATOM 0 HA ALA A 30 12.039 -22.340 3.408 1.00 14.13 H new ATOM 0 HB1 ALA A 30 11.399 -22.174 1.033 1.00 4.23 H new ATOM 0 HB2 ALA A 30 11.617 -23.865 1.542 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.979 -23.199 1.349 1.00 4.23 H new ATOM 464 N ILE A 31 10.633 -20.411 4.197 1.00 25.12 N ATOM 465 CA ILE A 31 9.994 -19.126 4.404 1.00 40.14 C ATOM 466 C ILE A 31 10.925 -18.029 3.923 1.00 74.23 C ATOM 467 O ILE A 31 12.086 -17.967 4.332 1.00 4.24 O ATOM 468 CB ILE A 31 9.633 -18.889 5.884 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.742 -20.024 6.401 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.931 -17.548 6.047 1.00 41.23 C ATOM 471 CD1 ILE A 31 8.357 -19.886 7.859 1.00 3.32 C ATOM 0 H ILE A 31 11.427 -20.592 4.811 1.00 25.12 H new ATOM 0 HA ILE A 31 9.063 -19.115 3.837 1.00 40.14 H new ATOM 0 HB ILE A 31 10.552 -18.874 6.470 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.835 -20.064 5.798 1.00 11.21 H new ATOM 0 HG13 ILE A 31 9.260 -20.972 6.260 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.682 -17.393 7.097 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.590 -16.749 5.709 1.00 41.23 H new ATOM 0 HG23 ILE A 31 8.018 -17.541 5.452 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.727 -20.726 8.150 1.00 3.32 H new ATOM 0 HD12 ILE A 31 9.257 -19.877 8.474 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.809 -18.955 8.004 1.00 3.32 H new ATOM 483 N ASN A 32 10.422 -17.184 3.043 1.00 72.34 N ATOM 484 CA ASN A 32 11.237 -16.146 2.438 1.00 15.12 C ATOM 485 C ASN A 32 11.388 -14.975 3.393 1.00 73.04 C ATOM 486 O ASN A 32 12.493 -14.469 3.602 1.00 13.03 O ATOM 487 CB ASN A 32 10.614 -15.672 1.115 1.00 71.30 C ATOM 488 CG ASN A 32 10.528 -16.766 0.059 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.397 -17.951 0.370 1.00 51.12 O ATOM 490 ND2 ASN A 32 10.592 -16.374 -1.204 1.00 22.03 N ATOM 0 H ASN A 32 9.451 -17.196 2.730 1.00 72.34 H new ATOM 0 HA ASN A 32 12.223 -16.560 2.228 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.613 -15.287 1.311 1.00 71.30 H new ATOM 0 HB3 ASN A 32 11.203 -14.843 0.721 1.00 71.30 H new ATOM 0 HD21 ASN A 32 10.533 -17.062 -1.955 1.00 22.03 H new ATOM 0 HD22 ASN A 32 10.701 -15.384 -1.426 1.00 22.03 H new ATOM 497 N PHE A 33 10.271 -14.555 3.982 1.00 4.32 N ATOM 498 CA PHE A 33 10.266 -13.421 4.896 1.00 60.13 C ATOM 499 C PHE A 33 9.230 -13.610 6.002 1.00 71.25 C ATOM 500 O PHE A 33 8.041 -13.772 5.729 1.00 43.02 O ATOM 501 CB PHE A 33 9.967 -12.122 4.140 1.00 25.12 C ATOM 502 CG PHE A 33 10.985 -11.766 3.093 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.726 -11.993 1.753 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.199 -11.205 3.450 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.658 -11.667 0.790 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.136 -10.878 2.491 1.00 62.54 C ATOM 507 CZ PHE A 33 12.865 -11.109 1.159 1.00 65.33 C ATOM 0 H PHE A 33 9.357 -14.985 3.841 1.00 4.32 H new ATOM 0 HA PHE A 33 11.256 -13.359 5.347 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.990 -12.209 3.665 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.901 -11.305 4.858 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.784 -12.430 1.458 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.416 -11.021 4.492 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.443 -11.848 -0.253 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.080 -10.442 2.783 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.596 -10.854 0.406 1.00 65.33 H new ATOM 517 N LEU A 34 9.692 -13.598 7.245 1.00 45.21 N ATOM 518 CA LEU A 34 8.802 -13.623 8.401 1.00 44.33 C ATOM 519 C LEU A 34 8.221 -12.228 8.639 1.00 61.32 C ATOM 520 O LEU A 34 8.841 -11.227 8.276 1.00 5.11 O ATOM 521 CB LEU A 34 9.550 -14.098 9.663 1.00 2.10 C ATOM 522 CG LEU A 34 9.764 -15.613 9.806 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.443 -16.359 9.677 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.778 -16.129 8.795 1.00 73.11 C ATOM 0 H LEU A 34 10.684 -13.571 7.481 1.00 45.21 H new ATOM 0 HA LEU A 34 7.994 -14.325 8.196 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.526 -13.613 9.684 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.001 -13.747 10.537 1.00 2.10 H new ATOM 0 HG LEU A 34 10.167 -15.799 10.802 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.618 -17.430 9.781 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.759 -16.025 10.457 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.005 -16.157 8.700 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.906 -17.204 8.924 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.422 -15.924 7.785 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.734 -15.629 8.951 1.00 73.11 H new ATOM 536 N PRO A 35 7.015 -12.139 9.226 1.00 32.22 N ATOM 537 CA PRO A 35 6.383 -10.851 9.547 1.00 5.03 C ATOM 538 C PRO A 35 7.166 -10.062 10.597 1.00 10.23 C ATOM 539 O PRO A 35 7.974 -10.626 11.340 1.00 63.24 O ATOM 540 CB PRO A 35 5.005 -11.248 10.090 1.00 22.10 C ATOM 541 CG PRO A 35 5.154 -12.666 10.528 1.00 24.21 C ATOM 542 CD PRO A 35 6.166 -13.281 9.606 1.00 34.40 C ATOM 0 HA PRO A 35 6.337 -10.196 8.677 1.00 5.03 H new ATOM 0 HB2 PRO A 35 4.709 -10.608 10.921 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.236 -11.151 9.323 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.487 -12.721 11.565 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.202 -13.194 10.470 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.741 -14.062 10.103 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.693 -13.738 8.737 1.00 34.40 H new ATOM 550 N VAL A 36 6.921 -8.759 10.658 1.00 60.55 N ATOM 551 CA VAL A 36 7.643 -7.891 11.580 1.00 53.33 C ATOM 552 C VAL A 36 7.213 -8.152 13.029 1.00 1.10 C ATOM 553 O VAL A 36 6.062 -8.507 13.294 1.00 72.31 O ATOM 554 CB VAL A 36 7.448 -6.396 11.219 1.00 4.21 C ATOM 555 CG1 VAL A 36 5.997 -5.970 11.379 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.363 -5.509 12.053 1.00 25.11 C ATOM 0 H VAL A 36 6.229 -8.281 10.081 1.00 60.55 H new ATOM 0 HA VAL A 36 8.704 -8.125 11.487 1.00 53.33 H new ATOM 0 HB VAL A 36 7.718 -6.275 10.170 1.00 4.21 H new ATOM 0 HG11 VAL A 36 5.896 -4.917 11.118 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.367 -6.569 10.721 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.686 -6.119 12.413 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.206 -4.466 11.780 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.137 -5.645 13.111 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.402 -5.781 11.866 1.00 25.11 H new ATOM 566 N ASP A 37 8.171 -8.015 13.948 1.00 75.53 N ATOM 567 CA ASP A 37 7.955 -8.223 15.387 1.00 0.24 C ATOM 568 C ASP A 37 7.722 -9.703 15.705 1.00 61.43 C ATOM 569 O ASP A 37 7.357 -10.071 16.823 1.00 74.15 O ATOM 570 CB ASP A 37 6.796 -7.362 15.913 1.00 1.03 C ATOM 571 CG ASP A 37 6.651 -7.434 17.423 1.00 73.54 C ATOM 572 OD1 ASP A 37 7.587 -7.016 18.140 1.00 11.24 O ATOM 573 OD2 ASP A 37 5.595 -7.904 17.902 1.00 24.30 O1- ATOM 0 H ASP A 37 9.129 -7.754 13.715 1.00 75.53 H new ATOM 0 HA ASP A 37 8.863 -7.907 15.900 1.00 0.24 H new ATOM 0 HB2 ASP A 37 6.955 -6.325 15.616 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.866 -7.688 15.447 1.00 1.03 H new ATOM 578 N TYR A 38 7.942 -10.560 14.720 1.00 64.13 N ATOM 579 CA TYR A 38 7.865 -11.991 14.952 1.00 64.04 C ATOM 580 C TYR A 38 9.072 -12.418 15.772 1.00 13.41 C ATOM 581 O TYR A 38 10.175 -11.922 15.552 1.00 72.14 O ATOM 582 CB TYR A 38 7.822 -12.756 13.629 1.00 31.23 C ATOM 583 CG TYR A 38 7.305 -14.168 13.779 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.175 -15.236 13.952 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.941 -14.429 13.754 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.698 -16.523 14.103 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.458 -15.712 13.902 1.00 74.11 C ATOM 588 CZ TYR A 38 6.338 -16.754 14.072 1.00 52.12 C ATOM 589 OH TYR A 38 5.853 -18.032 14.226 1.00 52.04 O ATOM 0 H TYR A 38 8.173 -10.292 13.763 1.00 64.13 H new ATOM 0 HA TYR A 38 6.948 -12.220 15.496 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.189 -12.216 12.924 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.824 -12.786 13.200 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.240 -15.058 13.969 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.247 -13.613 13.616 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.385 -17.344 14.245 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.394 -15.897 13.884 1.00 74.11 H new ATOM 0 HH TYR A 38 4.910 -18.058 13.961 1.00 52.04 H new ATOM 599 N GLU A 39 8.865 -13.307 16.732 1.00 24.42 N ATOM 600 CA GLU A 39 9.941 -13.701 17.631 1.00 12.31 C ATOM 601 C GLU A 39 10.109 -15.214 17.651 1.00 14.54 C ATOM 602 O GLU A 39 9.171 -15.957 17.357 1.00 3.41 O ATOM 603 CB GLU A 39 9.672 -13.162 19.041 1.00 45.13 C ATOM 604 CG GLU A 39 9.422 -11.662 19.062 1.00 72.52 C ATOM 605 CD GLU A 39 9.293 -11.088 20.458 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.452 -11.579 21.241 1.00 5.53 O ATOM 607 OE2 GLU A 39 10.009 -10.115 20.763 1.00 51.15 O1- ATOM 0 H GLU A 39 7.971 -13.766 16.908 1.00 24.42 H new ATOM 0 HA GLU A 39 10.873 -13.270 17.265 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.808 -13.675 19.462 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.523 -13.393 19.682 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.239 -11.159 18.545 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.511 -11.446 18.504 1.00 72.52 H new ATOM 614 N ILE A 40 11.315 -15.663 17.981 1.00 4.54 N ATOM 615 CA ILE A 40 11.634 -17.088 17.981 1.00 42.33 C ATOM 616 C ILE A 40 12.380 -17.502 19.249 1.00 75.11 C ATOM 617 O ILE A 40 12.922 -16.659 19.974 1.00 0.45 O ATOM 618 CB ILE A 40 12.487 -17.477 16.754 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.736 -16.595 16.669 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.664 -17.377 15.477 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.650 -16.936 15.512 1.00 11.34 C ATOM 0 H ILE A 40 12.091 -15.059 18.253 1.00 4.54 H new ATOM 0 HA ILE A 40 10.680 -17.614 17.940 1.00 42.33 H new ATOM 0 HB ILE A 40 12.808 -18.512 16.869 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.428 -15.553 16.581 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.296 -16.684 17.600 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.282 -17.655 14.623 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.810 -18.051 15.541 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.310 -16.354 15.351 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.511 -16.268 15.520 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.990 -17.967 15.608 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.108 -16.819 14.573 1.00 11.34 H new ATOM 633 N GLU A 41 12.395 -18.804 19.504 1.00 61.12 N ATOM 634 CA GLU A 41 13.099 -19.377 20.642 1.00 13.03 C ATOM 635 C GLU A 41 14.121 -20.407 20.164 1.00 60.15 C ATOM 636 O GLU A 41 13.918 -21.070 19.145 1.00 54.15 O ATOM 637 CB GLU A 41 12.101 -20.043 21.595 1.00 74.33 C ATOM 638 CG GLU A 41 12.755 -20.708 22.797 1.00 15.40 C ATOM 639 CD GLU A 41 11.776 -21.490 23.648 1.00 2.52 C ATOM 640 OE1 GLU A 41 12.170 -21.936 24.748 1.00 21.53 O ATOM 641 OE2 GLU A 41 10.614 -21.665 23.224 1.00 65.45 O1- ATOM 0 H GLU A 41 11.917 -19.494 18.925 1.00 61.12 H new ATOM 0 HA GLU A 41 13.620 -18.578 21.170 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.392 -19.293 21.947 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.529 -20.790 21.044 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.542 -21.378 22.451 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.233 -19.945 23.412 1.00 15.40 H new ATOM 648 N TYR A 42 15.210 -20.538 20.906 1.00 75.13 N ATOM 649 CA TYR A 42 16.241 -21.523 20.604 1.00 70.02 C ATOM 650 C TYR A 42 16.013 -22.789 21.421 1.00 70.13 C ATOM 651 O TYR A 42 16.282 -22.819 22.622 1.00 31.24 O ATOM 652 CB TYR A 42 17.634 -20.962 20.900 1.00 71.13 C ATOM 653 CG TYR A 42 18.045 -19.816 20.003 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.845 -20.036 18.891 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.642 -18.516 20.275 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.231 -18.991 18.072 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.021 -17.469 19.461 1.00 60.14 C ATOM 658 CZ TYR A 42 18.817 -17.710 18.364 1.00 71.20 C ATOM 659 OH TYR A 42 19.200 -16.662 17.555 1.00 33.12 O ATOM 0 H TYR A 42 15.405 -19.969 21.730 1.00 75.13 H new ATOM 0 HA TYR A 42 16.181 -21.763 19.542 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.665 -20.626 21.937 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.365 -21.765 20.803 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.171 -21.040 18.661 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.022 -18.321 21.138 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.853 -19.178 17.209 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.694 -16.464 19.683 1.00 60.14 H new ATOM 0 HH TYR A 42 18.631 -16.639 16.758 1.00 33.12 H new ATOM 669 N VAL A 43 15.475 -23.814 20.786 1.00 14.33 N ATOM 670 CA VAL A 43 15.232 -25.082 21.460 1.00 13.01 C ATOM 671 C VAL A 43 16.310 -26.102 21.111 1.00 43.53 C ATOM 672 O VAL A 43 16.813 -26.131 19.988 1.00 23.35 O ATOM 673 CB VAL A 43 13.840 -25.659 21.121 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.749 -24.804 21.740 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.641 -25.763 19.615 1.00 10.23 C ATOM 0 H VAL A 43 15.197 -23.796 19.805 1.00 14.33 H new ATOM 0 HA VAL A 43 15.264 -24.880 22.531 1.00 13.01 H new ATOM 0 HB VAL A 43 13.780 -26.664 21.540 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.774 -25.223 21.492 1.00 12.10 H new ATOM 0 HG12 VAL A 43 12.872 -24.785 22.823 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.817 -23.789 21.350 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.653 -26.172 19.406 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.726 -24.773 19.168 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.402 -26.419 19.192 1.00 10.23 H new ATOM 685 N CYS A 44 16.669 -26.926 22.080 1.00 44.41 N ATOM 686 CA CYS A 44 17.681 -27.950 21.877 1.00 33.42 C ATOM 687 C CYS A 44 17.003 -29.249 21.429 1.00 23.24 C ATOM 688 O CYS A 44 15.774 -29.306 21.332 1.00 51.42 O ATOM 689 CB CYS A 44 18.476 -28.146 23.177 1.00 2.24 C ATOM 690 SG CYS A 44 19.971 -29.185 23.025 1.00 3.51 S ATOM 0 H CYS A 44 16.273 -26.906 23.020 1.00 44.41 H new ATOM 0 HA CYS A 44 18.379 -27.645 21.097 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.770 -27.167 23.555 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.818 -28.591 23.923 1.00 2.24 H new ATOM 695 N ARG A 45 17.794 -30.277 21.133 1.00 62.05 N ATOM 696 CA ARG A 45 17.254 -31.552 20.671 1.00 5.01 C ATOM 697 C ARG A 45 16.374 -32.204 21.733 1.00 54.03 C ATOM 698 O ARG A 45 16.778 -32.335 22.888 1.00 24.32 O ATOM 699 CB ARG A 45 18.385 -32.507 20.280 1.00 71.44 C ATOM 700 CG ARG A 45 18.528 -32.696 18.779 1.00 42.32 C ATOM 701 CD ARG A 45 17.247 -33.244 18.167 1.00 12.32 C ATOM 702 NE ARG A 45 17.387 -33.509 16.735 1.00 32.41 N ATOM 703 CZ ARG A 45 16.482 -33.159 15.818 1.00 70.05 C ATOM 704 NH1 ARG A 45 15.375 -32.517 16.182 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.680 -33.464 14.539 1.00 35.41 N ATOM 0 H ARG A 45 18.811 -30.252 21.205 1.00 62.05 H new ATOM 0 HA ARG A 45 16.639 -31.346 19.795 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.325 -32.128 20.681 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.208 -33.477 20.745 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.778 -31.743 18.312 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.353 -33.378 18.573 1.00 42.32 H new ATOM 0 HD2 ARG A 45 16.967 -34.164 18.679 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.437 -32.532 18.325 1.00 12.32 H new ATOM 0 HE ARG A 45 18.228 -33.991 16.418 1.00 32.41 H new ATOM 0 HH11 ARG A 45 15.216 -32.291 17.164 1.00 54.35 H new ATOM 0 HH12 ARG A 45 14.685 -32.251 15.479 1.00 54.35 H new ATOM 0 HH21 ARG A 45 17.523 -33.965 14.259 1.00 35.41 H new ATOM 0 HH22 ARG A 45 15.989 -33.197 13.838 1.00 35.41 H new ATOM 719 N GLY A 46 15.173 -32.605 21.325 1.00 62.21 N ATOM 720 CA GLY A 46 14.255 -33.268 22.230 1.00 35.13 C ATOM 721 C GLY A 46 13.844 -32.379 23.380 1.00 50.42 C ATOM 722 O GLY A 46 13.470 -31.222 23.176 1.00 24.32 O ATOM 0 H GLY A 46 14.819 -32.481 20.377 1.00 62.21 H new ATOM 0 HA2 GLY A 46 13.368 -33.581 21.680 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.722 -34.172 22.621 1.00 35.13 H new ATOM 726 N GLU A 47 13.915 -32.908 24.593 1.00 62.41 N ATOM 727 CA GLU A 47 13.620 -32.114 25.772 1.00 21.42 C ATOM 728 C GLU A 47 14.909 -31.613 26.411 1.00 12.53 C ATOM 729 O GLU A 47 15.462 -32.229 27.325 1.00 4.41 O ATOM 730 CB GLU A 47 12.768 -32.891 26.783 1.00 22.13 C ATOM 731 CG GLU A 47 13.336 -34.239 27.192 1.00 11.01 C ATOM 732 CD GLU A 47 12.624 -34.818 28.396 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.526 -35.387 28.223 1.00 31.03 O ATOM 734 OE2 GLU A 47 13.154 -34.697 29.523 1.00 71.43 O1- ATOM 0 H GLU A 47 14.172 -33.876 24.784 1.00 62.41 H new ATOM 0 HA GLU A 47 13.033 -31.252 25.455 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.642 -32.280 27.676 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.776 -33.044 26.359 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.256 -34.934 26.356 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.397 -34.131 27.417 1.00 11.01 H new ATOM 741 N ARG A 48 15.405 -30.509 25.884 1.00 3.22 N ATOM 742 CA ARG A 48 16.607 -29.879 26.398 1.00 11.31 C ATOM 743 C ARG A 48 16.493 -28.370 26.277 1.00 51.34 C ATOM 744 O ARG A 48 16.099 -27.845 25.234 1.00 74.21 O ATOM 745 CB ARG A 48 17.846 -30.375 25.648 1.00 14.32 C ATOM 746 CG ARG A 48 18.295 -31.772 26.046 1.00 42.31 C ATOM 747 CD ARG A 48 18.802 -31.798 27.477 1.00 42.54 C ATOM 748 NE ARG A 48 19.032 -33.159 27.954 1.00 62.44 N ATOM 749 CZ ARG A 48 19.474 -33.453 29.176 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.805 -32.484 30.020 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 19.605 -34.717 29.552 1.00 20.12 N ATOM 0 H ARG A 48 14.987 -30.025 25.089 1.00 3.22 H new ATOM 0 HA ARG A 48 16.714 -30.147 27.449 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.639 -30.363 24.578 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.666 -29.678 25.822 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.463 -32.469 25.939 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.082 -32.110 25.372 1.00 42.31 H new ATOM 0 HD2 ARG A 48 19.730 -31.230 27.543 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.079 -31.304 28.126 1.00 42.54 H new ATOM 0 HE ARG A 48 18.843 -33.930 27.314 1.00 62.44 H new ATOM 0 HH11 ARG A 48 19.722 -31.508 29.734 1.00 25.54 H new ATOM 0 HH12 ARG A 48 20.143 -32.715 30.954 1.00 25.54 H new ATOM 0 HH21 ARG A 48 19.367 -35.469 28.905 1.00 20.12 H new ATOM 0 HH22 ARG A 48 19.944 -34.938 30.488 1.00 20.12 H new ATOM 765 N GLU A 49 16.818 -27.676 27.352 1.00 44.11 N ATOM 766 CA GLU A 49 16.749 -26.230 27.365 1.00 30.02 C ATOM 767 C GLU A 49 18.135 -25.629 27.214 1.00 63.13 C ATOM 768 O GLU A 49 19.140 -26.250 27.569 1.00 72.31 O ATOM 769 CB GLU A 49 16.120 -25.710 28.662 1.00 5.24 C ATOM 770 CG GLU A 49 14.689 -26.171 28.908 1.00 21.11 C ATOM 771 CD GLU A 49 14.592 -27.631 29.302 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.764 -28.354 28.716 1.00 50.41 O ATOM 773 OE2 GLU A 49 15.348 -28.064 30.198 1.00 41.04 O1- ATOM 0 H GLU A 49 17.133 -28.093 28.228 1.00 44.11 H new ATOM 0 HA GLU A 49 16.123 -25.930 26.525 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.738 -26.027 29.502 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.138 -24.620 28.647 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.247 -25.559 29.694 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.100 -26.005 28.006 1.00 21.11 H new ATOM 780 N VAL A 50 18.182 -24.431 26.661 1.00 34.14 N ATOM 781 CA VAL A 50 19.413 -23.666 26.610 1.00 54.31 C ATOM 782 C VAL A 50 19.262 -22.412 27.466 1.00 4.42 C ATOM 783 O VAL A 50 18.355 -21.603 27.247 1.00 41.03 O ATOM 784 CB VAL A 50 19.805 -23.282 25.157 1.00 15.41 C ATOM 785 CG1 VAL A 50 20.041 -24.527 24.318 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.749 -22.399 24.503 1.00 31.42 C ATOM 0 H VAL A 50 17.378 -23.966 26.239 1.00 34.14 H new ATOM 0 HA VAL A 50 20.216 -24.291 27.002 1.00 54.31 H new ATOM 0 HB VAL A 50 20.732 -22.711 25.211 1.00 15.41 H new ATOM 0 HG11 VAL A 50 20.314 -24.236 23.304 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.848 -25.114 24.757 1.00 14.02 H new ATOM 0 HG13 VAL A 50 19.130 -25.125 24.291 1.00 14.02 H new ATOM 0 HG21 VAL A 50 19.059 -22.152 23.488 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.798 -22.931 24.472 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.633 -21.482 25.081 1.00 31.42 H new ATOM 796 N VAL A 51 20.110 -22.259 28.473 1.00 23.20 N ATOM 797 CA VAL A 51 20.038 -21.066 29.295 1.00 2.24 C ATOM 798 C VAL A 51 20.813 -19.932 28.623 1.00 12.52 C ATOM 799 O VAL A 51 22.032 -19.800 28.745 1.00 73.23 O ATOM 800 CB VAL A 51 20.539 -21.328 30.737 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.945 -21.903 30.740 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.471 -20.061 31.577 1.00 4.13 C ATOM 0 H VAL A 51 20.836 -22.927 28.734 1.00 23.20 H new ATOM 0 HA VAL A 51 18.993 -20.769 29.384 1.00 2.24 H new ATOM 0 HB VAL A 51 19.877 -22.069 31.185 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.266 -22.075 31.768 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.953 -22.847 30.195 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.626 -21.201 30.260 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.828 -20.273 32.585 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.096 -19.291 31.125 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.440 -19.710 31.624 1.00 4.13 H new ATOM 812 N GLY A 52 20.075 -19.139 27.876 1.00 43.00 N ATOM 813 CA GLY A 52 20.647 -18.046 27.131 1.00 12.21 C ATOM 814 C GLY A 52 19.616 -16.978 26.873 1.00 21.54 C ATOM 815 O GLY A 52 18.437 -17.185 27.165 1.00 21.14 O ATOM 0 H GLY A 52 19.065 -19.236 27.770 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.486 -17.623 27.684 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.042 -18.413 26.184 1.00 12.21 H new ATOM 819 N PRO A 53 20.017 -15.826 26.326 1.00 41.45 N ATOM 820 CA PRO A 53 19.073 -14.792 25.907 1.00 13.20 C ATOM 821 C PRO A 53 18.342 -15.214 24.630 1.00 34.33 C ATOM 822 O PRO A 53 18.416 -14.535 23.601 1.00 53.40 O ATOM 823 CB PRO A 53 19.975 -13.579 25.647 1.00 30.31 C ATOM 824 CG PRO A 53 21.301 -14.158 25.295 1.00 70.42 C ATOM 825 CD PRO A 53 21.417 -15.448 26.059 1.00 22.42 C ATOM 0 HA PRO A 53 18.295 -14.594 26.644 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.585 -12.963 24.837 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.043 -12.941 26.528 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.375 -14.334 24.222 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.107 -13.474 25.562 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.934 -16.212 25.478 1.00 22.42 H new ATOM 0 HD3 PRO A 53 21.979 -15.316 26.984 1.00 22.42 H new ATOM 833 N LYS A 54 17.650 -16.349 24.697 1.00 53.33 N ATOM 834 CA LYS A 54 17.010 -16.921 23.523 1.00 53.43 C ATOM 835 C LYS A 54 15.708 -16.197 23.188 1.00 54.24 C ATOM 836 O LYS A 54 14.622 -16.593 23.608 1.00 72.35 O ATOM 837 CB LYS A 54 16.750 -18.423 23.728 1.00 14.34 C ATOM 838 CG LYS A 54 16.083 -18.767 25.055 1.00 2.25 C ATOM 839 CD LYS A 54 15.580 -20.203 25.078 1.00 62.01 C ATOM 840 CE LYS A 54 14.933 -20.546 26.411 1.00 22.54 C ATOM 841 NZ LYS A 54 14.272 -21.877 26.379 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.520 -16.888 25.553 1.00 53.33 H new ATOM 0 HA LYS A 54 17.690 -16.794 22.680 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.122 -18.786 22.914 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.698 -18.957 23.662 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.793 -18.617 25.868 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.249 -18.087 25.230 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.859 -20.350 24.274 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.410 -20.884 24.890 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.690 -20.535 27.195 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.199 -19.782 26.666 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 14.282 -22.293 27.332 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.288 -21.769 26.059 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.783 -22.502 25.723 1.00 20.32 H new ATOM 855 N VAL A 55 15.841 -15.117 22.440 1.00 2.14 N ATOM 856 CA VAL A 55 14.707 -14.408 21.880 1.00 11.43 C ATOM 857 C VAL A 55 15.192 -13.508 20.755 1.00 43.22 C ATOM 858 O VAL A 55 16.146 -12.752 20.924 1.00 65.24 O ATOM 859 CB VAL A 55 13.946 -13.580 22.948 1.00 34.24 C ATOM 860 CG1 VAL A 55 14.880 -12.622 23.673 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.784 -12.825 22.317 1.00 74.12 C ATOM 0 H VAL A 55 16.744 -14.706 22.203 1.00 2.14 H new ATOM 0 HA VAL A 55 14.002 -15.144 21.493 1.00 11.43 H new ATOM 0 HB VAL A 55 13.545 -14.276 23.685 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.317 -12.056 24.415 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.668 -13.188 24.170 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.326 -11.934 22.954 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.264 -12.251 23.084 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.163 -12.148 21.551 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.092 -13.535 21.864 1.00 74.12 H new ATOM 871 N ARG A 56 14.564 -13.609 19.601 1.00 3.44 N ATOM 872 CA ARG A 56 14.948 -12.795 18.461 1.00 30.34 C ATOM 873 C ARG A 56 13.720 -12.143 17.867 1.00 34.22 C ATOM 874 O ARG A 56 12.760 -12.830 17.529 1.00 45.24 O ATOM 875 CB ARG A 56 15.651 -13.637 17.392 1.00 31.13 C ATOM 876 CG ARG A 56 16.856 -14.405 17.906 1.00 60.22 C ATOM 877 CD ARG A 56 17.886 -13.480 18.526 1.00 12.52 C ATOM 878 NE ARG A 56 18.973 -14.222 19.156 1.00 73.32 N ATOM 879 CZ ARG A 56 19.466 -13.931 20.360 1.00 41.54 C ATOM 880 NH1 ARG A 56 18.941 -12.946 21.080 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.476 -14.639 20.845 1.00 53.04 N ATOM 0 H ARG A 56 13.786 -14.245 19.426 1.00 3.44 H new ATOM 0 HA ARG A 56 15.644 -12.030 18.806 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.935 -14.343 16.971 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.969 -12.983 16.580 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.533 -15.138 18.645 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.311 -14.960 17.086 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.293 -12.822 17.758 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.403 -12.844 19.268 1.00 12.52 H new ATOM 0 HE ARG A 56 19.378 -15.007 18.647 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.156 -12.408 20.712 1.00 41.24 H new ATOM 0 HH12 ARG A 56 19.322 -12.728 22.001 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.873 -15.403 20.298 1.00 53.04 H new ATOM 0 HH22 ARG A 56 20.857 -14.420 21.766 1.00 53.04 H new ATOM 895 N LYS A 57 13.741 -10.828 17.760 1.00 33.31 N ATOM 896 CA LYS A 57 12.629 -10.104 17.181 1.00 4.11 C ATOM 897 C LYS A 57 12.939 -9.751 15.733 1.00 15.33 C ATOM 898 O LYS A 57 14.027 -9.266 15.426 1.00 3.22 O ATOM 899 CB LYS A 57 12.335 -8.838 17.986 1.00 43.11 C ATOM 900 CG LYS A 57 11.127 -8.061 17.487 1.00 71.30 C ATOM 901 CD LYS A 57 10.984 -6.720 18.193 1.00 14.43 C ATOM 902 CE LYS A 57 10.754 -6.876 19.690 1.00 11.33 C ATOM 903 NZ LYS A 57 9.499 -7.611 19.990 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.516 -10.241 18.067 1.00 33.31 H new ATOM 0 HA LYS A 57 11.744 -10.740 17.209 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.174 -9.111 19.029 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.210 -8.189 17.957 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.218 -7.898 16.413 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.225 -8.652 17.644 1.00 71.30 H new ATOM 0 HD2 LYS A 57 11.883 -6.126 18.026 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.152 -6.169 17.755 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.598 -7.405 20.133 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.716 -5.891 20.155 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.167 -7.357 20.942 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 8.772 -7.357 19.291 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.678 -8.635 19.947 1.00 52.31 H new ATOM 917 N CYS A 58 12.002 -10.028 14.851 1.00 72.13 N ATOM 918 CA CYS A 58 12.144 -9.666 13.454 1.00 62.31 C ATOM 919 C CYS A 58 11.799 -8.194 13.269 1.00 74.10 C ATOM 920 O CYS A 58 10.834 -7.697 13.852 1.00 14.35 O ATOM 921 CB CYS A 58 11.235 -10.531 12.583 1.00 65.03 C ATOM 922 SG CYS A 58 11.395 -10.204 10.800 1.00 34.12 S ATOM 0 H CYS A 58 11.129 -10.505 15.077 1.00 72.13 H new ATOM 0 HA CYS A 58 13.177 -9.835 13.149 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.459 -11.581 12.772 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.199 -10.368 12.881 1.00 65.03 H new ATOM 927 N LEU A 59 12.590 -7.501 12.469 1.00 20.31 N ATOM 928 CA LEU A 59 12.385 -6.080 12.237 1.00 35.20 C ATOM 929 C LEU A 59 12.021 -5.829 10.779 1.00 35.41 C ATOM 930 O LEU A 59 11.901 -6.770 9.995 1.00 75.32 O ATOM 931 CB LEU A 59 13.644 -5.295 12.614 1.00 75.13 C ATOM 932 CG LEU A 59 14.067 -5.399 14.083 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.325 -4.584 14.335 1.00 24.20 C ATOM 934 CD2 LEU A 59 12.944 -4.933 14.995 1.00 11.24 C ATOM 0 H LEU A 59 13.383 -7.900 11.967 1.00 20.31 H new ATOM 0 HA LEU A 59 11.561 -5.739 12.864 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.468 -5.642 11.991 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.482 -4.244 12.373 1.00 75.13 H new ATOM 0 HG LEU A 59 14.282 -6.444 14.304 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.610 -4.670 15.384 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.133 -4.959 13.707 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.135 -3.538 14.095 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.262 -5.014 16.034 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.700 -3.895 14.770 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.064 -5.556 14.836 1.00 11.24 H new ATOM 946 N ALA A 60 11.826 -4.563 10.423 1.00 33.55 N ATOM 947 CA ALA A 60 11.513 -4.198 9.049 1.00 14.42 C ATOM 948 C ALA A 60 12.696 -4.489 8.134 1.00 34.01 C ATOM 949 O ALA A 60 12.530 -4.744 6.938 1.00 3.23 O ATOM 950 CB ALA A 60 11.120 -2.732 8.967 1.00 21.55 C ATOM 0 H ALA A 60 11.880 -3.774 11.068 1.00 33.55 H new ATOM 0 HA ALA A 60 10.668 -4.801 8.715 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.889 -2.475 7.933 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.243 -2.555 9.590 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.946 -2.114 9.319 1.00 21.55 H new ATOM 956 N ASN A 61 13.894 -4.453 8.702 1.00 62.21 N ATOM 957 CA ASN A 61 15.092 -4.818 7.963 1.00 25.33 C ATOM 958 C ASN A 61 15.210 -6.332 7.906 1.00 24.31 C ATOM 959 O ASN A 61 14.741 -7.032 8.802 1.00 33.40 O ATOM 960 CB ASN A 61 16.348 -4.209 8.601 1.00 32.31 C ATOM 961 CG ASN A 61 16.589 -4.677 10.025 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.091 -4.077 10.976 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.366 -5.739 10.184 1.00 4.55 N ATOM 0 H ASN A 61 14.060 -4.175 9.669 1.00 62.21 H new ATOM 0 HA ASN A 61 15.010 -4.420 6.951 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.215 -4.463 7.992 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.260 -3.123 8.594 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.570 -6.086 11.121 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.760 -6.209 9.369 1.00 4.55 H new ATOM 970 N GLY A 62 15.828 -6.835 6.851 1.00 21.23 N ATOM 971 CA GLY A 62 15.913 -8.264 6.648 1.00 43.34 C ATOM 972 C GLY A 62 16.928 -8.944 7.547 1.00 30.15 C ATOM 973 O GLY A 62 17.928 -9.477 7.065 1.00 74.22 O ATOM 0 H GLY A 62 16.276 -6.274 6.126 1.00 21.23 H new ATOM 0 HA2 GLY A 62 14.932 -8.706 6.821 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.172 -8.460 5.608 1.00 43.34 H new ATOM 977 N SER A 63 16.668 -8.937 8.847 1.00 32.44 N ATOM 978 CA SER A 63 17.507 -9.632 9.811 1.00 55.04 C ATOM 979 C SER A 63 16.872 -9.557 11.190 1.00 64.31 C ATOM 980 O SER A 63 16.177 -8.593 11.513 1.00 34.44 O ATOM 981 CB SER A 63 18.919 -9.035 9.855 1.00 2.41 C ATOM 982 OG SER A 63 19.802 -9.846 10.607 1.00 62.04 O ATOM 0 H SER A 63 15.872 -8.451 9.261 1.00 32.44 H new ATOM 0 HA SER A 63 17.591 -10.673 9.500 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.300 -8.925 8.840 1.00 2.41 H new ATOM 0 HB3 SER A 63 18.880 -8.037 10.291 1.00 2.41 H new ATOM 0 HG SER A 63 20.694 -9.439 10.614 1.00 62.04 H new ATOM 988 N TRP A 64 17.104 -10.581 11.991 1.00 43.33 N ATOM 989 CA TRP A 64 16.606 -10.609 13.351 1.00 43.33 C ATOM 990 C TRP A 64 17.483 -9.717 14.225 1.00 14.23 C ATOM 991 O TRP A 64 18.637 -9.453 13.879 1.00 63.32 O ATOM 992 CB TRP A 64 16.581 -12.048 13.880 1.00 65.43 C ATOM 993 CG TRP A 64 15.747 -12.973 13.036 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.114 -13.571 11.863 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.406 -13.405 13.300 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.086 -14.343 11.380 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.027 -14.259 12.245 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.487 -13.156 14.325 1.00 55.00 C ATOM 999 CZ2 TRP A 64 12.772 -14.859 12.186 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.243 -13.755 14.264 1.00 13.34 C ATOM 1001 CH2 TRP A 64 11.896 -14.598 13.202 1.00 30.45 C ATOM 0 H TRP A 64 17.637 -11.407 11.720 1.00 43.33 H new ATOM 0 HA TRP A 64 15.584 -10.230 13.375 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.601 -12.429 13.927 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.194 -12.047 14.899 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.075 -13.453 11.384 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.107 -14.889 10.519 1.00 61.14 H new ATOM 0 HE3 TRP A 64 13.745 -12.507 15.149 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.500 -15.508 11.366 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.526 -13.569 15.050 1.00 13.34 H new ATOM 0 HH2 TRP A 64 10.916 -15.051 13.185 1.00 30.45 H new ATOM 1012 N THR A 65 16.931 -9.263 15.342 1.00 64.24 N ATOM 1013 CA THR A 65 17.594 -8.292 16.214 1.00 62.45 C ATOM 1014 C THR A 65 19.023 -8.686 16.581 1.00 71.12 C ATOM 1015 O THR A 65 19.940 -7.869 16.500 1.00 30.41 O ATOM 1016 CB THR A 65 16.784 -8.082 17.505 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.385 -9.353 18.050 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.562 -7.221 17.233 1.00 4.51 C ATOM 0 H THR A 65 16.011 -9.555 15.673 1.00 64.24 H new ATOM 0 HA THR A 65 17.646 -7.365 15.643 1.00 62.45 H new ATOM 0 HB THR A 65 17.414 -7.568 18.231 1.00 0.54 H new ATOM 0 HG1 THR A 65 17.085 -9.686 18.650 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.001 -7.083 18.157 1.00 4.51 H new ATOM 0 HG22 THR A 65 15.879 -6.250 16.852 1.00 4.51 H new ATOM 0 HG23 THR A 65 14.928 -7.712 16.494 1.00 4.51 H new ATOM 1026 N ASP A 66 19.213 -9.934 16.973 1.00 71.12 N ATOM 1027 CA ASP A 66 20.505 -10.378 17.476 1.00 34.33 C ATOM 1028 C ASP A 66 20.956 -11.631 16.749 1.00 13.42 C ATOM 1029 O ASP A 66 20.280 -12.657 16.816 1.00 3.12 O ATOM 1030 CB ASP A 66 20.422 -10.704 18.975 1.00 63.41 C ATOM 1031 CG ASP A 66 19.555 -9.745 19.764 1.00 40.15 C ATOM 1032 OD1 ASP A 66 18.322 -9.972 19.832 1.00 25.14 O ATOM 1033 OD2 ASP A 66 20.093 -8.778 20.337 1.00 24.04 O1- ATOM 0 H ASP A 66 18.493 -10.657 16.954 1.00 71.12 H new ATOM 0 HA ASP A 66 21.216 -9.569 17.309 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.032 -11.715 19.096 1.00 63.41 H new ATOM 0 HB3 ASP A 66 21.428 -10.698 19.394 1.00 63.41 H new ATOM 1038 N MET A 67 22.078 -11.571 16.047 1.00 22.12 N ATOM 1039 CA MET A 67 22.668 -12.798 15.542 1.00 54.13 C ATOM 1040 C MET A 67 24.119 -12.920 15.984 1.00 53.22 C ATOM 1041 O MET A 67 25.040 -12.631 15.220 1.00 32.02 O ATOM 1042 CB MET A 67 22.609 -12.849 14.010 1.00 11.22 C ATOM 1043 CG MET A 67 21.210 -12.767 13.430 1.00 72.34 C ATOM 1044 SD MET A 67 21.192 -13.026 11.646 1.00 2.02 S ATOM 1045 CE MET A 67 19.435 -12.964 11.322 1.00 10.45 C ATOM 0 H MET A 67 22.584 -10.715 15.820 1.00 22.12 H new ATOM 0 HA MET A 67 22.091 -13.628 15.951 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.203 -12.028 13.609 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.075 -13.775 13.672 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.576 -13.513 13.909 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.782 -11.791 13.657 1.00 72.34 H new ATOM 0 HE1 MET A 67 19.086 -13.951 11.019 1.00 10.45 H new ATOM 0 HE2 MET A 67 18.909 -12.655 12.225 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.237 -12.248 10.524 1.00 10.45 H new ATOM 1055 N ASP A 68 24.306 -13.318 17.237 1.00 24.31 N ATOM 1056 CA ASP A 68 25.583 -13.828 17.726 1.00 2.01 C ATOM 1057 C ASP A 68 25.387 -14.413 19.117 1.00 63.14 C ATOM 1058 O ASP A 68 25.503 -13.687 20.108 1.00 55.15 O ATOM 1059 CB ASP A 68 26.666 -12.742 17.762 1.00 13.54 C ATOM 1060 CG ASP A 68 28.043 -13.325 18.019 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.737 -13.677 17.046 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.441 -13.439 19.199 1.00 51.53 O1- ATOM 0 H ASP A 68 23.573 -13.296 17.946 1.00 24.31 H new ATOM 0 HA ASP A 68 25.924 -14.599 17.035 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.671 -12.203 16.815 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.428 -12.017 18.540 1.00 13.54 H new ATOM 1067 N THR A 69 25.053 -15.688 19.208 1.00 35.52 N ATOM 1068 CA THR A 69 24.837 -16.316 20.509 1.00 74.33 C ATOM 1069 C THR A 69 24.942 -17.832 20.420 1.00 61.54 C ATOM 1070 O THR A 69 24.068 -18.495 19.856 1.00 13.04 O ATOM 1071 CB THR A 69 23.456 -15.956 21.111 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.307 -14.535 21.206 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.284 -16.568 22.495 1.00 22.51 C ATOM 0 H THR A 69 24.925 -16.308 18.408 1.00 35.52 H new ATOM 0 HA THR A 69 25.621 -15.929 21.160 1.00 74.33 H new ATOM 0 HB THR A 69 22.692 -16.361 20.447 1.00 11.41 H new ATOM 0 HG1 THR A 69 24.190 -14.111 21.172 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.306 -16.299 22.893 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.361 -17.653 22.425 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.062 -16.191 23.159 1.00 22.51 H new ATOM 1081 N PRO A 70 26.026 -18.398 20.958 1.00 34.41 N ATOM 1082 CA PRO A 70 26.149 -19.838 21.118 1.00 42.43 C ATOM 1083 C PRO A 70 25.324 -20.328 22.308 1.00 23.34 C ATOM 1084 O PRO A 70 25.779 -20.313 23.450 1.00 64.14 O ATOM 1085 CB PRO A 70 27.644 -20.050 21.353 1.00 61.51 C ATOM 1086 CG PRO A 70 28.133 -18.769 21.937 1.00 11.35 C ATOM 1087 CD PRO A 70 27.223 -17.677 21.433 1.00 41.03 C ATOM 0 HA PRO A 70 25.778 -20.394 20.257 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.822 -20.885 22.031 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.160 -20.280 20.421 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.118 -18.811 23.026 1.00 11.35 H new ATOM 0 HG3 PRO A 70 29.164 -18.579 21.640 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.974 -16.969 22.223 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.690 -17.107 20.630 1.00 41.03 H new ATOM 1095 N SER A 71 24.086 -20.710 22.033 1.00 21.45 N ATOM 1096 CA SER A 71 23.176 -21.157 23.072 1.00 53.41 C ATOM 1097 C SER A 71 23.608 -22.515 23.615 1.00 14.12 C ATOM 1098 O SER A 71 23.537 -23.527 22.912 1.00 73.30 O ATOM 1099 CB SER A 71 21.754 -21.219 22.512 1.00 41.55 C ATOM 1100 OG SER A 71 21.727 -21.926 21.282 1.00 70.34 O ATOM 0 H SER A 71 23.689 -20.719 21.094 1.00 21.45 H new ATOM 0 HA SER A 71 23.198 -20.447 23.899 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.096 -21.707 23.231 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.372 -20.209 22.364 1.00 41.55 H new ATOM 0 HG SER A 71 22.307 -22.714 21.345 1.00 70.34 H new ATOM 1106 N ARG A 72 24.071 -22.527 24.858 1.00 45.03 N ATOM 1107 CA ARG A 72 24.576 -23.747 25.466 1.00 4.44 C ATOM 1108 C ARG A 72 23.434 -24.635 25.947 1.00 75.30 C ATOM 1109 O ARG A 72 22.616 -24.235 26.779 1.00 23.40 O ATOM 1110 CB ARG A 72 25.546 -23.429 26.614 1.00 34.44 C ATOM 1111 CG ARG A 72 24.961 -22.570 27.727 1.00 12.31 C ATOM 1112 CD ARG A 72 26.030 -22.202 28.744 1.00 24.33 C ATOM 1113 NE ARG A 72 25.499 -21.445 29.875 1.00 52.22 N ATOM 1114 CZ ARG A 72 25.747 -20.155 30.088 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.454 -19.449 29.210 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 25.281 -19.568 31.180 1.00 31.31 N ATOM 0 H ARG A 72 24.107 -21.706 25.463 1.00 45.03 H new ATOM 0 HA ARG A 72 25.127 -24.296 24.703 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.897 -24.367 27.045 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.419 -22.921 26.203 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.528 -21.664 27.304 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.152 -23.109 28.221 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.503 -23.112 29.112 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.806 -21.615 28.252 1.00 24.33 H new ATOM 0 HE ARG A 72 24.902 -21.935 30.542 1.00 52.22 H new ATOM 0 HH11 ARG A 72 26.811 -19.896 28.365 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.639 -18.461 29.381 1.00 45.44 H new ATOM 0 HH21 ARG A 72 24.734 -20.104 31.854 1.00 31.31 H new ATOM 0 HH22 ARG A 72 25.469 -18.579 31.347 1.00 31.31 H new ATOM 1130 N CYS A 73 23.372 -25.833 25.386 1.00 4.41 N ATOM 1131 CA CYS A 73 22.356 -26.810 25.745 1.00 74.22 C ATOM 1132 C CYS A 73 22.759 -27.512 27.035 1.00 15.32 C ATOM 1133 O CYS A 73 23.729 -28.273 27.060 1.00 21.44 O ATOM 1134 CB CYS A 73 22.181 -27.817 24.600 1.00 72.10 C ATOM 1135 SG CYS A 73 20.852 -29.040 24.850 1.00 53.24 S ATOM 0 H CYS A 73 24.024 -26.155 24.670 1.00 4.41 H new ATOM 0 HA CYS A 73 21.402 -26.309 25.909 1.00 74.22 H new ATOM 0 HB2 CYS A 73 21.981 -27.268 23.680 1.00 72.10 H new ATOM 0 HB3 CYS A 73 23.122 -28.349 24.456 1.00 72.10 H new ATOM 1140 N VAL A 74 22.038 -27.234 28.112 1.00 70.53 N ATOM 1141 CA VAL A 74 22.401 -27.757 29.417 1.00 64.52 C ATOM 1142 C VAL A 74 21.192 -27.825 30.350 1.00 43.42 C ATOM 1143 O VAL A 74 20.431 -26.864 30.486 1.00 34.31 O ATOM 1144 CB VAL A 74 23.527 -26.907 30.060 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.127 -25.439 30.144 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.893 -27.436 31.439 1.00 43.31 C ATOM 0 H VAL A 74 21.201 -26.651 28.106 1.00 70.53 H new ATOM 0 HA VAL A 74 22.771 -28.772 29.269 1.00 64.52 H new ATOM 0 HB VAL A 74 24.405 -26.986 29.419 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.936 -24.867 30.599 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.932 -25.057 29.142 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.227 -25.341 30.751 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.685 -26.821 31.866 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.017 -27.401 32.087 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.240 -28.466 31.353 1.00 43.31 H new ATOM 1156 N ARG A 75 21.014 -28.978 30.971 1.00 64.45 N ATOM 1157 CA ARG A 75 19.970 -29.172 31.960 1.00 54.13 C ATOM 1158 C ARG A 75 20.491 -30.079 33.061 1.00 45.21 C ATOM 1159 O ARG A 75 20.686 -29.599 34.195 1.00 37.22 O ATOM 1160 CB ARG A 75 18.713 -29.788 31.336 1.00 55.34 C ATOM 1161 CG ARG A 75 17.650 -30.142 32.366 1.00 43.51 C ATOM 1162 CD ARG A 75 16.682 -31.198 31.857 1.00 51.22 C ATOM 1163 NE ARG A 75 15.705 -30.673 30.904 1.00 74.41 N ATOM 1164 CZ ARG A 75 14.731 -31.412 30.368 1.00 23.14 C ATOM 1165 NH1 ARG A 75 14.666 -32.716 30.620 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 13.836 -30.852 29.567 1.00 4.05 N ATOM 1167 OXT ARG A 75 20.737 -31.267 32.772 1.00 37.22 O ATOM 0 H ARG A 75 21.588 -29.804 30.804 1.00 64.45 H new ATOM 0 HA ARG A 75 19.698 -28.199 32.369 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.292 -29.088 30.614 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.991 -30.687 30.785 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.133 -30.503 33.274 1.00 43.51 H new ATOM 0 HG3 ARG A 75 17.095 -29.243 32.636 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.247 -32.001 31.383 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.154 -31.636 32.704 1.00 51.22 H new ATOM 0 HE ARG A 75 15.771 -29.691 30.635 1.00 74.41 H new ATOM 0 HH11 ARG A 75 15.361 -33.154 31.224 1.00 33.54 H new ATOM 0 HH12 ARG A 75 13.921 -33.278 30.209 1.00 33.54 H new ATOM 0 HH21 ARG A 75 13.891 -29.855 29.359 1.00 4.05 H new ATOM 0 HH22 ARG A 75 13.092 -31.418 29.158 1.00 4.05 H new