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 42 TYR OH : rot 30:sc= -0.0326 USER MOD Set 1.2: A 69 THR OG1 : rot 167:sc= 1.33 USER MOD Single : A 4 SER OG : rot 31:sc= 0.0434 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.148 F(o=-1.6!,f=-0.15) 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= -0.153 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 1.28 (180deg=0.556) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -160:sc= -0.365 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.18) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.17) USER MOD Single : A 63 SER OG : rot 180:sc= -0.132 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -111:sc= -0.0254 (180deg=-0.695) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0741 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 6.950 -5.412 2.222 1.00 71.02 N ATOM 39 CA SER A 4 7.133 -6.696 2.862 1.00 42.34 C ATOM 40 C SER A 4 8.434 -6.689 3.651 1.00 25.41 C ATOM 41 O SER A 4 9.516 -6.875 3.095 1.00 72.11 O ATOM 42 CB SER A 4 7.132 -7.820 1.822 1.00 74.12 C ATOM 43 OG SER A 4 5.890 -7.875 1.130 1.00 34.13 O ATOM 0 HA SER A 4 6.305 -6.876 3.548 1.00 42.34 H new ATOM 0 HB2 SER A 4 7.942 -7.662 1.110 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.321 -8.775 2.313 1.00 74.12 H new ATOM 0 HG SER A 4 5.508 -6.975 1.072 1.00 34.13 H new ATOM 49 N GLU A 5 8.322 -6.450 4.949 1.00 73.11 N ATOM 50 CA GLU A 5 9.486 -6.406 5.815 1.00 2.22 C ATOM 51 C GLU A 5 9.633 -7.737 6.534 1.00 63.11 C ATOM 52 O GLU A 5 8.739 -8.152 7.280 1.00 33.12 O ATOM 53 CB GLU A 5 9.363 -5.266 6.830 1.00 74.03 C ATOM 54 CG GLU A 5 9.018 -3.916 6.211 1.00 3.23 C ATOM 55 CD GLU A 5 9.970 -3.499 5.103 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.523 -3.370 3.945 1.00 21.51 O ATOM 57 OE2 GLU A 5 11.167 -3.280 5.384 1.00 22.25 O1- ATOM 0 H GLU A 5 7.435 -6.284 5.424 1.00 73.11 H new ATOM 0 HA GLU A 5 10.372 -6.224 5.207 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.597 -5.525 7.560 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.303 -5.175 7.374 1.00 74.03 H new ATOM 0 HG2 GLU A 5 8.004 -3.956 5.813 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.024 -3.155 6.991 1.00 3.23 H new ATOM 64 N GLY A 6 10.743 -8.416 6.296 1.00 13.15 N ATOM 65 CA GLY A 6 10.932 -9.721 6.879 1.00 42.42 C ATOM 66 C GLY A 6 12.388 -10.086 7.060 1.00 52.24 C ATOM 67 O GLY A 6 13.258 -9.612 6.327 1.00 3.43 O ATOM 0 H GLY A 6 11.512 -8.087 5.712 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.432 -9.755 7.847 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.453 -10.468 6.246 1.00 42.42 H new ATOM 71 N CYS A 7 12.640 -10.925 8.047 1.00 10.20 N ATOM 72 CA CYS A 7 13.975 -11.418 8.333 1.00 70.11 C ATOM 73 C CYS A 7 14.159 -12.789 7.688 1.00 4.44 C ATOM 74 O CYS A 7 13.197 -13.538 7.540 1.00 72.14 O ATOM 75 CB CYS A 7 14.177 -11.505 9.848 1.00 4.33 C ATOM 76 SG CYS A 7 13.871 -9.939 10.736 1.00 21.12 S ATOM 0 H CYS A 7 11.922 -11.285 8.676 1.00 10.20 H new ATOM 0 HA CYS A 7 14.717 -10.734 7.922 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.514 -12.272 10.248 1.00 4.33 H new ATOM 0 HB3 CYS A 7 15.198 -11.830 10.049 1.00 4.33 H new ATOM 81 N GLN A 8 15.383 -13.115 7.295 1.00 15.12 N ATOM 82 CA GLN A 8 15.637 -14.369 6.590 1.00 64.14 C ATOM 83 C GLN A 8 15.545 -15.582 7.518 1.00 64.22 C ATOM 84 O GLN A 8 15.415 -15.444 8.737 1.00 1.10 O ATOM 85 CB GLN A 8 17.010 -14.349 5.919 1.00 50.41 C ATOM 86 CG GLN A 8 18.159 -14.067 6.876 1.00 43.35 C ATOM 87 CD GLN A 8 19.497 -14.568 6.358 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.495 -15.722 5.705 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 20.531 -13.946 6.590 1.00 23.50 N flip ATOM 0 H GLN A 8 16.209 -12.537 7.449 1.00 15.12 H new ATOM 0 HA GLN A 8 14.861 -14.461 5.830 1.00 64.14 H new ATOM 0 HB2 GLN A 8 17.181 -15.310 5.435 1.00 50.41 H new ATOM 0 HB3 GLN A 8 17.009 -13.592 5.134 1.00 50.41 H new ATOM 0 HG2 GLN A 8 18.223 -12.993 7.053 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.948 -14.536 7.837 1.00 43.35 H new ATOM 0 HE21 GLN A 8 20.491 -13.061 7.096 1.00 23.50 H new ATOM 0 HE22 GLN A 8 21.429 -14.315 6.277 1.00 23.50 H new ATOM 98 N ILE A 9 15.641 -16.767 6.923 1.00 54.54 N ATOM 99 CA ILE A 9 15.577 -18.019 7.661 1.00 64.42 C ATOM 100 C ILE A 9 16.967 -18.430 8.135 1.00 73.43 C ATOM 101 O ILE A 9 17.909 -18.494 7.342 1.00 71.43 O ATOM 102 CB ILE A 9 14.982 -19.149 6.785 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.508 -18.872 6.473 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.135 -20.510 7.452 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.856 -19.962 5.650 1.00 23.41 C ATOM 0 H ILE A 9 15.765 -16.884 5.917 1.00 54.54 H new ATOM 0 HA ILE A 9 14.930 -17.862 8.524 1.00 64.42 H new ATOM 0 HB ILE A 9 15.541 -19.169 5.849 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.961 -18.756 7.409 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.428 -17.926 5.938 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.707 -21.280 6.810 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.192 -20.719 7.614 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.615 -20.506 8.410 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.813 -19.704 5.465 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.380 -20.062 4.699 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.905 -20.906 6.193 1.00 23.41 H new ATOM 117 N ILE A 10 17.088 -18.688 9.430 1.00 1.44 N ATOM 118 CA ILE A 10 18.343 -19.138 10.008 1.00 53.14 C ATOM 119 C ILE A 10 18.476 -20.649 9.845 1.00 15.30 C ATOM 120 O ILE A 10 17.569 -21.402 10.206 1.00 44.43 O ATOM 121 CB ILE A 10 18.434 -18.771 11.505 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.257 -17.261 11.692 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.764 -19.232 12.088 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.225 -16.826 13.142 1.00 42.33 C ATOM 0 H ILE A 10 16.327 -18.592 10.102 1.00 1.44 H new ATOM 0 HA ILE A 10 19.155 -18.636 9.482 1.00 53.14 H new ATOM 0 HB ILE A 10 17.633 -19.282 12.038 1.00 44.30 H new ATOM 0 HG12 ILE A 10 19.071 -16.743 11.185 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.331 -16.950 11.208 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.811 -18.965 13.144 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.852 -20.313 11.983 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.582 -18.748 11.555 1.00 25.05 H new ATOM 0 HD11 ILE A 10 18.097 -15.745 13.195 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.394 -17.315 13.650 1.00 42.33 H new ATOM 0 HD13 ILE A 10 19.161 -17.105 13.626 1.00 42.33 H new ATOM 136 N HIS A 11 19.597 -21.085 9.295 1.00 11.24 N ATOM 137 CA HIS A 11 19.822 -22.496 9.033 1.00 24.14 C ATOM 138 C HIS A 11 20.238 -23.197 10.323 1.00 73.03 C ATOM 139 O HIS A 11 21.088 -22.686 11.057 1.00 11.43 O ATOM 140 CB HIS A 11 20.901 -22.661 7.953 1.00 24.23 C ATOM 141 CG HIS A 11 20.662 -23.817 7.032 1.00 51.10 C ATOM 142 ND1 HIS A 11 21.325 -25.019 7.138 1.00 34.40 N ATOM 143 CD2 HIS A 11 19.826 -23.944 5.972 1.00 73.31 C ATOM 144 CE1 HIS A 11 20.907 -25.835 6.188 1.00 41.44 C ATOM 145 NE2 HIS A 11 19.998 -25.208 5.468 1.00 32.35 N ATOM 0 H HIS A 11 20.369 -20.478 9.020 1.00 11.24 H new ATOM 0 HA HIS A 11 18.900 -22.951 8.671 1.00 24.14 H new ATOM 0 HB2 HIS A 11 20.956 -21.745 7.365 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.870 -22.788 8.437 1.00 24.23 H new ATOM 0 HD2 HIS A 11 19.151 -23.190 5.595 1.00 73.31 H new ATOM 0 HE1 HIS A 11 21.252 -26.846 6.028 1.00 41.44 H new ATOM 0 HE2 HIS A 11 19.503 -25.599 4.666 1.00 32.35 H new ATOM 154 N PRO A 12 19.629 -24.363 10.624 1.00 62.10 N ATOM 155 CA PRO A 12 19.902 -25.129 11.855 1.00 31.33 C ATOM 156 C PRO A 12 21.395 -25.338 12.110 1.00 62.52 C ATOM 157 O PRO A 12 22.071 -26.028 11.348 1.00 11.24 O ATOM 158 CB PRO A 12 19.211 -26.468 11.595 1.00 52.40 C ATOM 159 CG PRO A 12 18.102 -26.140 10.657 1.00 51.45 C ATOM 160 CD PRO A 12 18.614 -25.028 9.784 1.00 4.22 C ATOM 0 HA PRO A 12 19.543 -24.607 12.742 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.899 -27.191 11.158 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.833 -26.905 12.519 1.00 52.40 H new ATOM 0 HG2 PRO A 12 17.826 -27.009 10.060 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.210 -25.830 11.201 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.047 -25.411 8.860 1.00 4.22 H new ATOM 0 HD3 PRO A 12 17.816 -24.341 9.501 1.00 4.22 H new ATOM 168 N PRO A 13 21.925 -24.726 13.182 1.00 72.42 N ATOM 169 CA PRO A 13 23.348 -24.784 13.515 1.00 11.03 C ATOM 170 C PRO A 13 23.740 -26.085 14.228 1.00 21.12 C ATOM 171 O PRO A 13 23.896 -27.128 13.592 1.00 10.42 O ATOM 172 CB PRO A 13 23.550 -23.568 14.444 1.00 63.12 C ATOM 173 CG PRO A 13 22.217 -22.886 14.539 1.00 12.24 C ATOM 174 CD PRO A 13 21.191 -23.905 14.147 1.00 11.22 C ATOM 0 HA PRO A 13 23.973 -24.762 12.622 1.00 11.03 H new ATOM 0 HB2 PRO A 13 23.896 -23.884 15.428 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.305 -22.892 14.042 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.037 -22.524 15.551 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.176 -22.020 13.879 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.849 -24.489 15.002 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.309 -23.445 13.702 1.00 11.22 H new ATOM 182 N TRP A 14 23.893 -26.014 15.545 1.00 13.53 N ATOM 183 CA TRP A 14 24.260 -27.178 16.344 1.00 55.11 C ATOM 184 C TRP A 14 23.019 -28.034 16.613 1.00 13.40 C ATOM 185 O TRP A 14 21.920 -27.674 16.191 1.00 31.14 O ATOM 186 CB TRP A 14 24.921 -26.716 17.657 1.00 53.25 C ATOM 187 CG TRP A 14 25.498 -27.828 18.491 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.146 -28.162 19.768 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.512 -28.763 18.099 1.00 32.13 C ATOM 190 NE1 TRP A 14 25.882 -29.241 20.194 1.00 11.25 N ATOM 191 CE2 TRP A 14 26.729 -29.628 19.190 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.261 -28.953 16.934 1.00 52.43 C ATOM 193 CZ2 TRP A 14 27.659 -30.665 19.148 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.184 -29.980 16.894 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.376 -30.825 17.996 1.00 71.42 C ATOM 0 H TRP A 14 23.768 -25.158 16.085 1.00 13.53 H new ATOM 0 HA TRP A 14 24.979 -27.790 15.799 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.715 -26.008 17.420 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.182 -26.179 18.252 1.00 53.25 H new ATOM 0 HD1 TRP A 14 24.398 -27.652 20.357 1.00 34.14 H new ATOM 0 HE1 TRP A 14 25.809 -29.683 21.111 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.120 -28.308 16.080 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 27.808 -31.318 19.995 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.768 -30.135 15.999 1.00 24.33 H new ATOM 0 HH2 TRP A 14 29.106 -31.619 17.933 1.00 71.42 H new ATOM 206 N GLU A 15 23.210 -29.167 17.284 1.00 44.34 N ATOM 207 CA GLU A 15 22.117 -30.073 17.620 1.00 22.34 C ATOM 208 C GLU A 15 21.004 -29.358 18.381 1.00 24.33 C ATOM 209 O GLU A 15 21.108 -29.104 19.582 1.00 3.10 O ATOM 210 CB GLU A 15 22.641 -31.259 18.428 1.00 35.12 C ATOM 211 CG GLU A 15 23.374 -32.286 17.582 1.00 53.31 C ATOM 212 CD GLU A 15 22.468 -32.923 16.548 1.00 41.30 C ATOM 213 OE1 GLU A 15 21.695 -33.834 16.910 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.506 -32.501 15.374 1.00 74.13 O1- ATOM 0 H GLU A 15 24.124 -29.482 17.609 1.00 44.34 H new ATOM 0 HA GLU A 15 21.692 -30.440 16.686 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.312 -30.892 19.204 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.805 -31.744 18.932 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.216 -31.808 17.081 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.786 -33.061 18.229 1.00 53.31 H new ATOM 221 N GLY A 16 19.949 -29.035 17.657 1.00 71.54 N ATOM 222 CA GLY A 16 18.833 -28.308 18.212 1.00 11.25 C ATOM 223 C GLY A 16 17.902 -27.845 17.120 1.00 0.41 C ATOM 224 O GLY A 16 17.734 -28.535 16.110 1.00 33.22 O ATOM 0 H GLY A 16 19.846 -29.271 16.670 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.292 -28.943 18.913 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.196 -27.449 18.775 1.00 11.25 H new ATOM 228 N GLY A 17 17.304 -26.683 17.300 1.00 23.54 N ATOM 229 CA GLY A 17 16.423 -26.148 16.288 1.00 23.21 C ATOM 230 C GLY A 17 15.914 -24.776 16.653 1.00 4.21 C ATOM 231 O GLY A 17 16.385 -24.165 17.613 1.00 73.45 O ATOM 0 H GLY A 17 17.412 -26.099 18.129 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.952 -26.098 15.336 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.579 -26.823 16.148 1.00 23.21 H new ATOM 235 N ILE A 18 14.948 -24.286 15.899 1.00 13.11 N ATOM 236 CA ILE A 18 14.370 -22.986 16.174 1.00 4.12 C ATOM 237 C ILE A 18 12.862 -23.085 16.318 1.00 21.53 C ATOM 238 O ILE A 18 12.170 -23.613 15.447 1.00 64.33 O ATOM 239 CB ILE A 18 14.743 -21.951 15.091 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.216 -21.572 15.240 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.857 -20.711 15.185 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.684 -20.530 14.246 1.00 70.34 C ATOM 0 H ILE A 18 14.548 -24.768 15.094 1.00 13.11 H new ATOM 0 HA ILE A 18 14.789 -22.640 17.119 1.00 4.12 H new ATOM 0 HB ILE A 18 14.581 -22.396 14.109 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.385 -21.198 16.250 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.825 -22.469 15.126 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.143 -20.000 14.410 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.814 -20.998 15.048 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.980 -20.249 16.165 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.739 -20.314 14.415 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.549 -20.907 13.232 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.102 -19.618 14.374 1.00 70.34 H new ATOM 254 N ARG A 19 12.376 -22.592 17.440 1.00 44.43 N ATOM 255 CA ARG A 19 10.958 -22.567 17.724 1.00 12.34 C ATOM 256 C ARG A 19 10.397 -21.220 17.307 1.00 54.31 C ATOM 257 O ARG A 19 11.148 -20.257 17.149 1.00 14.40 O ATOM 258 CB ARG A 19 10.725 -22.799 19.212 1.00 21.13 C ATOM 259 CG ARG A 19 9.672 -23.859 19.502 1.00 74.22 C ATOM 260 CD ARG A 19 10.123 -25.240 19.045 1.00 2.13 C ATOM 261 NE ARG A 19 9.048 -26.232 19.129 1.00 34.34 N ATOM 262 CZ ARG A 19 9.015 -27.232 20.011 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.957 -27.339 20.943 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 8.028 -28.118 19.964 1.00 45.00 N ATOM 0 H ARG A 19 12.956 -22.197 18.181 1.00 44.43 H new ATOM 0 HA ARG A 19 10.454 -23.357 17.168 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.665 -23.095 19.677 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.422 -21.860 19.675 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.462 -23.880 20.571 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.742 -23.595 18.999 1.00 74.22 H new ATOM 0 HD2 ARG A 19 10.481 -25.181 18.017 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.964 -25.566 19.657 1.00 2.13 H new ATOM 0 HE ARG A 19 8.274 -26.153 18.470 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.711 -26.654 20.987 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.925 -28.106 21.614 1.00 45.21 H new ATOM 0 HH21 ARG A 19 7.299 -28.032 19.256 1.00 45.00 H new ATOM 0 HH22 ARG A 19 7.998 -28.885 20.636 1.00 45.00 H new ATOM 278 N TYR A 20 9.097 -21.145 17.120 1.00 74.35 N ATOM 279 CA TYR A 20 8.484 -19.917 16.658 1.00 40.55 C ATOM 280 C TYR A 20 7.416 -19.457 17.637 1.00 34.25 C ATOM 281 O TYR A 20 7.290 -20.013 18.731 1.00 72.21 O ATOM 282 CB TYR A 20 7.901 -20.130 15.257 1.00 12.44 C ATOM 283 CG TYR A 20 8.926 -20.652 14.272 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.090 -22.017 14.067 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.750 -19.780 13.568 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.043 -22.500 13.191 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.702 -20.256 12.685 1.00 52.11 C ATOM 288 CZ TYR A 20 10.846 -21.615 12.502 1.00 34.52 C ATOM 289 OH TYR A 20 11.800 -22.095 11.632 1.00 22.43 O ATOM 0 H TYR A 20 8.447 -21.914 17.279 1.00 74.35 H new ATOM 0 HA TYR A 20 9.240 -19.133 16.602 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.070 -20.832 15.317 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.496 -19.187 14.889 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.461 -22.713 14.602 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.645 -18.715 13.713 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.159 -23.564 13.047 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.330 -19.566 12.141 1.00 52.11 H new ATOM 0 HH TYR A 20 12.280 -21.343 11.226 1.00 22.43 H new ATOM 299 N ARG A 21 6.654 -18.449 17.247 1.00 4.04 N ATOM 300 CA ARG A 21 5.625 -17.895 18.114 1.00 43.13 C ATOM 301 C ARG A 21 4.353 -18.733 18.030 1.00 4.10 C ATOM 302 O ARG A 21 3.662 -18.931 19.030 1.00 52.41 O ATOM 303 CB ARG A 21 5.338 -16.436 17.737 1.00 74.30 C ATOM 304 CG ARG A 21 4.176 -15.820 18.501 1.00 52.33 C ATOM 305 CD ARG A 21 3.877 -14.404 18.032 1.00 1.31 C ATOM 306 NE ARG A 21 4.851 -13.434 18.537 1.00 72.30 N ATOM 307 CZ ARG A 21 5.036 -12.216 18.020 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.368 -11.829 16.936 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 5.890 -11.381 18.591 1.00 24.04 N ATOM 0 H ARG A 21 6.728 -17.997 16.336 1.00 4.04 H new ATOM 0 HA ARG A 21 5.985 -17.919 19.143 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.234 -15.842 17.916 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.128 -16.381 16.669 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.288 -16.440 18.374 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.407 -15.809 19.566 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.873 -14.378 16.942 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.878 -14.118 18.361 1.00 1.31 H new ATOM 0 HE ARG A 21 5.425 -13.706 19.335 1.00 72.30 H new ATOM 0 HH11 ARG A 21 3.706 -12.465 16.491 1.00 42.32 H new ATOM 0 HH12 ARG A 21 4.518 -10.897 16.551 1.00 42.32 H new ATOM 0 HH21 ARG A 21 6.405 -11.668 19.423 1.00 24.04 H new ATOM 0 HH22 ARG A 21 6.033 -10.451 18.198 1.00 24.04 H new ATOM 323 N GLY A 22 4.057 -19.233 16.837 1.00 11.55 N ATOM 324 CA GLY A 22 2.866 -20.035 16.649 1.00 50.05 C ATOM 325 C GLY A 22 2.885 -20.805 15.346 1.00 71.12 C ATOM 326 O GLY A 22 2.146 -20.484 14.415 1.00 54.54 O ATOM 0 H GLY A 22 4.620 -19.097 15.998 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.768 -20.735 17.479 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.989 -19.388 16.672 1.00 50.05 H new ATOM 330 N LEU A 23 3.734 -21.818 15.275 1.00 51.01 N ATOM 331 CA LEU A 23 3.826 -22.655 14.087 1.00 52.44 C ATOM 332 C LEU A 23 3.996 -24.118 14.470 1.00 5.12 C ATOM 333 O LEU A 23 4.718 -24.443 15.413 1.00 0.51 O ATOM 334 CB LEU A 23 4.982 -22.207 13.186 1.00 44.13 C ATOM 335 CG LEU A 23 4.733 -20.922 12.392 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.001 -20.484 11.678 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.601 -21.125 11.393 1.00 3.33 C ATOM 0 H LEU A 23 4.371 -22.082 16.027 1.00 51.01 H new ATOM 0 HA LEU A 23 2.895 -22.546 13.531 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.869 -22.067 13.804 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.206 -23.010 12.484 1.00 44.13 H new ATOM 0 HG LEU A 23 4.441 -20.136 13.089 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.806 -19.569 11.118 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.786 -20.301 12.411 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.321 -21.268 10.992 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.437 -20.202 10.837 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.866 -21.924 10.700 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.689 -21.394 11.926 1.00 3.33 H new ATOM 349 N THR A 24 3.310 -24.987 13.747 1.00 45.31 N ATOM 350 CA THR A 24 3.403 -26.422 13.974 1.00 75.32 C ATOM 351 C THR A 24 4.480 -27.023 13.067 1.00 64.12 C ATOM 352 O THR A 24 5.158 -26.289 12.344 1.00 23.12 O ATOM 353 CB THR A 24 2.035 -27.110 13.734 1.00 73.21 C ATOM 354 OG1 THR A 24 2.110 -28.507 14.052 1.00 0.00 O ATOM 355 CG2 THR A 24 1.587 -26.939 12.293 1.00 12.52 C ATOM 0 H THR A 24 2.677 -24.722 12.992 1.00 45.31 H new ATOM 0 HA THR A 24 3.683 -26.594 15.013 1.00 75.32 H new ATOM 0 HB THR A 24 1.304 -26.634 14.388 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.237 -28.925 13.896 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.625 -27.431 12.150 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.489 -25.877 12.066 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.325 -27.386 11.627 1.00 12.52 H new ATOM 363 N ARG A 25 4.666 -28.339 13.128 1.00 3.14 N ATOM 364 CA ARG A 25 5.639 -29.006 12.267 1.00 73.32 C ATOM 365 C ARG A 25 5.181 -28.973 10.808 1.00 50.00 C ATOM 366 O ARG A 25 4.132 -28.402 10.496 1.00 5.42 O ATOM 367 CB ARG A 25 5.830 -30.456 12.719 1.00 33.05 C ATOM 368 CG ARG A 25 4.524 -31.226 12.798 1.00 24.32 C ATOM 369 CD ARG A 25 4.743 -32.681 13.171 1.00 10.33 C ATOM 370 NE ARG A 25 3.475 -33.386 13.335 1.00 33.14 N ATOM 371 CZ ARG A 25 2.816 -33.978 12.340 1.00 2.41 C ATOM 372 NH1 ARG A 25 3.320 -33.986 11.114 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 1.650 -34.565 12.579 1.00 62.54 N ATOM 0 H ARG A 25 4.160 -28.961 13.759 1.00 3.14 H new ATOM 0 HA ARG A 25 6.589 -28.476 12.345 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.503 -30.962 12.027 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.312 -30.466 13.697 1.00 33.05 H new ATOM 0 HG2 ARG A 25 3.871 -30.757 13.534 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.012 -31.171 11.837 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.336 -33.171 12.399 1.00 10.33 H new ATOM 0 HD3 ARG A 25 5.315 -32.739 14.097 1.00 10.33 H new ATOM 0 HE ARG A 25 3.068 -33.428 14.270 1.00 33.14 H new ATOM 0 HH11 ARG A 25 4.217 -33.537 10.928 1.00 13.30 H new ATOM 0 HH12 ARG A 25 2.811 -34.441 10.356 1.00 13.30 H new ATOM 0 HH21 ARG A 25 1.261 -34.562 13.522 1.00 62.54 H new ATOM 0 HH22 ARG A 25 1.143 -35.019 11.820 1.00 62.54 H new ATOM 387 N ASP A 26 5.951 -29.629 9.934 1.00 11.55 N ATOM 388 CA ASP A 26 5.740 -29.600 8.470 1.00 13.41 C ATOM 389 C ASP A 26 5.900 -28.185 7.890 1.00 2.54 C ATOM 390 O ASP A 26 6.249 -28.020 6.726 1.00 54.04 O ATOM 391 CB ASP A 26 4.368 -30.171 8.087 1.00 51.21 C ATOM 392 CG ASP A 26 4.181 -30.282 6.581 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.755 -31.212 5.971 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.452 -29.447 5.999 1.00 15.44 O1- ATOM 0 H ASP A 26 6.746 -30.201 10.218 1.00 11.55 H new ATOM 0 HA ASP A 26 6.514 -30.232 8.036 1.00 13.41 H new ATOM 0 HB2 ASP A 26 4.250 -31.156 8.538 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.585 -29.535 8.501 1.00 51.21 H new ATOM 399 N GLN A 27 5.647 -27.177 8.713 1.00 2.23 N ATOM 400 CA GLN A 27 5.780 -25.782 8.328 1.00 4.51 C ATOM 401 C GLN A 27 7.249 -25.409 8.175 1.00 2.23 C ATOM 402 O GLN A 27 8.127 -26.244 8.388 1.00 21.25 O ATOM 403 CB GLN A 27 5.136 -24.902 9.401 1.00 41.02 C ATOM 404 CG GLN A 27 3.694 -25.273 9.704 1.00 12.33 C ATOM 405 CD GLN A 27 2.709 -24.611 8.770 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.179 -23.477 9.197 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 2.401 -25.125 7.697 1.00 42.30 N flip ATOM 0 H GLN A 27 5.340 -27.308 9.677 1.00 2.23 H new ATOM 0 HA GLN A 27 5.281 -25.628 7.371 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.721 -24.973 10.318 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.175 -23.862 9.078 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.580 -26.355 9.636 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.460 -24.991 10.731 1.00 12.33 H new ATOM 0 HE21 GLN A 27 2.836 -26.001 7.408 1.00 42.30 H new ATOM 0 HE22 GLN A 27 1.711 -24.675 7.096 1.00 42.30 H new ATOM 416 N VAL A 28 7.488 -24.150 7.795 1.00 40.51 N ATOM 417 CA VAL A 28 8.834 -23.566 7.649 1.00 21.23 C ATOM 418 C VAL A 28 9.772 -24.428 6.797 1.00 20.45 C ATOM 419 O VAL A 28 10.993 -24.274 6.848 1.00 35.23 O ATOM 420 CB VAL A 28 9.501 -23.230 9.017 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.564 -22.394 9.872 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.956 -24.473 9.775 1.00 12.44 C ATOM 0 H VAL A 28 6.740 -23.492 7.575 1.00 40.51 H new ATOM 0 HA VAL A 28 8.673 -22.628 7.118 1.00 21.23 H new ATOM 0 HB VAL A 28 10.399 -22.652 8.798 1.00 75.00 H new ATOM 0 HG11 VAL A 28 9.044 -22.168 10.824 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.330 -21.464 9.353 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.644 -22.949 10.053 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.413 -24.176 10.719 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.096 -25.113 9.973 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.685 -25.019 9.175 1.00 12.44 H new ATOM 432 N LYS A 29 9.191 -25.299 5.982 1.00 1.44 N ATOM 433 CA LYS A 29 9.961 -26.128 5.066 1.00 53.22 C ATOM 434 C LYS A 29 10.477 -25.282 3.909 1.00 71.12 C ATOM 435 O LYS A 29 11.471 -25.625 3.264 1.00 33.02 O ATOM 436 CB LYS A 29 9.100 -27.291 4.554 1.00 54.41 C ATOM 437 CG LYS A 29 7.752 -26.862 3.997 1.00 70.52 C ATOM 438 CD LYS A 29 6.824 -28.051 3.810 1.00 33.02 C ATOM 439 CE LYS A 29 5.410 -27.612 3.469 1.00 11.13 C ATOM 440 NZ LYS A 29 4.451 -28.745 3.527 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.183 -25.449 5.937 1.00 1.44 H new ATOM 0 HA LYS A 29 10.817 -26.547 5.595 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.650 -27.823 3.778 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.937 -27.996 5.369 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.291 -26.141 4.672 1.00 70.52 H new ATOM 0 HG3 LYS A 29 7.896 -26.357 3.042 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.208 -28.691 3.016 1.00 33.02 H new ATOM 0 HD3 LYS A 29 6.810 -28.648 4.722 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.094 -26.833 4.163 1.00 11.13 H new ATOM 0 HE3 LYS A 29 5.396 -27.175 2.471 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 3.606 -28.514 2.966 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 4.900 -29.600 3.141 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.174 -28.915 4.515 1.00 21.55 H new ATOM 454 N ALA A 30 9.789 -24.172 3.667 1.00 52.32 N ATOM 455 CA ALA A 30 10.192 -23.211 2.656 1.00 14.13 C ATOM 456 C ALA A 30 9.434 -21.903 2.836 1.00 61.32 C ATOM 457 O ALA A 30 8.251 -21.803 2.505 1.00 75.11 O ATOM 458 CB ALA A 30 9.968 -23.764 1.259 1.00 4.23 C ATOM 0 H ALA A 30 8.938 -23.916 4.167 1.00 52.32 H new ATOM 0 HA ALA A 30 11.258 -23.018 2.777 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.278 -23.024 0.521 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.554 -24.674 1.129 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.911 -23.991 1.123 1.00 4.23 H new ATOM 464 N ILE A 31 10.105 -20.921 3.400 1.00 25.12 N ATOM 465 CA ILE A 31 9.541 -19.590 3.557 1.00 40.14 C ATOM 466 C ILE A 31 10.551 -18.577 3.032 1.00 74.23 C ATOM 467 O ILE A 31 11.737 -18.888 2.926 1.00 4.24 O ATOM 468 CB ILE A 31 9.189 -19.287 5.041 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.248 -20.362 5.598 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.549 -17.914 5.186 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.845 -20.140 7.041 1.00 3.32 C ATOM 0 H ILE A 31 11.053 -21.018 3.762 1.00 25.12 H new ATOM 0 HA ILE A 31 8.612 -19.527 2.991 1.00 40.14 H new ATOM 0 HB ILE A 31 10.118 -19.294 5.611 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.349 -20.398 4.982 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.733 -21.334 5.512 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.314 -17.731 6.235 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.241 -17.151 4.830 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.633 -17.876 4.597 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.180 -20.942 7.360 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.735 -20.134 7.671 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.330 -19.184 7.132 1.00 3.32 H new ATOM 483 N ASN A 32 10.094 -17.393 2.667 1.00 72.34 N ATOM 484 CA ASN A 32 10.995 -16.369 2.168 1.00 15.12 C ATOM 485 C ASN A 32 11.534 -15.528 3.318 1.00 73.04 C ATOM 486 O ASN A 32 12.745 -15.457 3.528 1.00 13.03 O ATOM 487 CB ASN A 32 10.297 -15.484 1.133 1.00 71.30 C ATOM 488 CG ASN A 32 10.022 -16.217 -0.169 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.860 -16.236 -1.070 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.847 -16.818 -0.285 1.00 22.03 N ATOM 0 H ASN A 32 9.113 -17.118 2.706 1.00 72.34 H new ATOM 0 HA ASN A 32 11.834 -16.863 1.678 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.357 -15.120 1.547 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.916 -14.610 0.930 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.612 -17.318 -1.143 1.00 22.03 H new ATOM 0 HD22 ASN A 32 8.177 -16.781 0.483 1.00 22.03 H new ATOM 497 N PHE A 33 10.632 -14.906 4.072 1.00 4.32 N ATOM 498 CA PHE A 33 11.027 -14.051 5.186 1.00 60.13 C ATOM 499 C PHE A 33 10.049 -14.180 6.350 1.00 71.25 C ATOM 500 O PHE A 33 8.853 -14.400 6.150 1.00 43.02 O ATOM 501 CB PHE A 33 11.101 -12.582 4.747 1.00 25.12 C ATOM 502 CG PHE A 33 12.184 -12.292 3.743 1.00 51.52 C ATOM 503 CD1 PHE A 33 11.872 -12.096 2.408 1.00 50.10 C ATOM 504 CD2 PHE A 33 13.512 -12.222 4.136 1.00 1.10 C ATOM 505 CE1 PHE A 33 12.863 -11.836 1.481 1.00 3.21 C ATOM 506 CE2 PHE A 33 14.507 -11.961 3.214 1.00 62.54 C ATOM 507 CZ PHE A 33 14.183 -11.768 1.884 1.00 65.33 C ATOM 0 H PHE A 33 9.624 -14.978 3.932 1.00 4.32 H new ATOM 0 HA PHE A 33 12.014 -14.378 5.514 1.00 60.13 H new ATOM 0 HB2 PHE A 33 10.140 -12.293 4.322 1.00 25.12 H new ATOM 0 HB3 PHE A 33 11.261 -11.959 5.627 1.00 25.12 H new ATOM 0 HD1 PHE A 33 10.842 -12.147 2.088 1.00 50.10 H new ATOM 0 HD2 PHE A 33 13.771 -12.373 5.174 1.00 1.10 H new ATOM 0 HE1 PHE A 33 12.606 -11.686 0.443 1.00 3.21 H new ATOM 0 HE2 PHE A 33 15.538 -11.908 3.532 1.00 62.54 H new ATOM 0 HZ PHE A 33 14.960 -11.565 1.162 1.00 65.33 H new ATOM 517 N LEU A 34 10.571 -14.058 7.562 1.00 45.21 N ATOM 518 CA LEU A 34 9.743 -14.015 8.758 1.00 44.33 C ATOM 519 C LEU A 34 9.269 -12.585 8.968 1.00 61.32 C ATOM 520 O LEU A 34 10.071 -11.659 8.921 1.00 5.11 O ATOM 521 CB LEU A 34 10.519 -14.491 9.998 1.00 2.10 C ATOM 522 CG LEU A 34 10.835 -15.991 10.071 1.00 42.44 C ATOM 523 CD1 LEU A 34 9.573 -16.817 9.877 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.895 -16.388 9.052 1.00 73.11 C ATOM 0 H LEU A 34 11.572 -13.987 7.743 1.00 45.21 H new ATOM 0 HA LEU A 34 8.894 -14.685 8.622 1.00 44.33 H new ATOM 0 HB2 LEU A 34 11.459 -13.941 10.045 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.946 -14.219 10.885 1.00 2.10 H new ATOM 0 HG LEU A 34 11.235 -16.195 11.064 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.820 -17.877 9.932 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.853 -16.571 10.658 1.00 10.42 H new ATOM 0 HD13 LEU A 34 9.140 -16.596 8.902 1.00 10.42 H new ATOM 0 HD21 LEU A 34 12.094 -17.457 9.132 1.00 73.11 H new ATOM 0 HD22 LEU A 34 11.538 -16.159 8.048 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.813 -15.833 9.246 1.00 73.11 H new ATOM 536 N PRO A 35 7.968 -12.381 9.194 1.00 32.22 N ATOM 537 CA PRO A 35 7.387 -11.039 9.290 1.00 5.03 C ATOM 538 C PRO A 35 7.924 -10.244 10.478 1.00 10.23 C ATOM 539 O PRO A 35 8.244 -10.809 11.523 1.00 63.24 O ATOM 540 CB PRO A 35 5.885 -11.293 9.469 1.00 22.10 C ATOM 541 CG PRO A 35 5.668 -12.725 9.108 1.00 24.21 C ATOM 542 CD PRO A 35 6.962 -13.432 9.386 1.00 34.40 C ATOM 0 HA PRO A 35 7.632 -10.444 8.410 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.575 -11.097 10.496 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.298 -10.635 8.828 1.00 22.10 H new ATOM 0 HG2 PRO A 35 4.856 -13.155 9.695 1.00 24.21 H new ATOM 0 HG3 PRO A 35 5.389 -12.823 8.059 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.990 -13.836 10.398 1.00 34.40 H new ATOM 0 HD3 PRO A 35 7.118 -14.268 8.704 1.00 34.40 H new ATOM 550 N VAL A 36 8.025 -8.930 10.298 1.00 60.55 N ATOM 551 CA VAL A 36 8.388 -8.026 11.386 1.00 53.33 C ATOM 552 C VAL A 36 7.463 -8.239 12.589 1.00 1.10 C ATOM 553 O VAL A 36 6.300 -8.621 12.416 1.00 72.31 O ATOM 554 CB VAL A 36 8.329 -6.548 10.919 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.929 -6.175 10.454 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.805 -5.601 12.014 1.00 25.11 C ATOM 0 H VAL A 36 7.860 -8.466 9.405 1.00 60.55 H new ATOM 0 HA VAL A 36 9.412 -8.250 11.686 1.00 53.33 H new ATOM 0 HB VAL A 36 9.006 -6.445 10.071 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.918 -5.134 10.133 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.640 -6.815 9.621 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.225 -6.309 11.275 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.751 -4.573 11.655 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.170 -5.712 12.893 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.835 -5.839 12.279 1.00 25.11 H new ATOM 566 N ASP A 37 8.005 -8.026 13.797 1.00 75.53 N ATOM 567 CA ASP A 37 7.274 -8.215 15.064 1.00 0.24 C ATOM 568 C ASP A 37 7.271 -9.681 15.496 1.00 61.43 C ATOM 569 O ASP A 37 7.223 -9.978 16.688 1.00 74.15 O ATOM 570 CB ASP A 37 5.831 -7.682 14.980 1.00 1.03 C ATOM 571 CG ASP A 37 4.993 -8.006 16.210 1.00 73.54 C ATOM 572 OD1 ASP A 37 4.373 -9.096 16.253 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.933 -7.165 17.133 1.00 24.30 O1- ATOM 0 H ASP A 37 8.968 -7.716 13.926 1.00 75.53 H new ATOM 0 HA ASP A 37 7.804 -7.634 15.819 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.858 -6.601 14.843 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.347 -8.103 14.099 1.00 1.03 H new ATOM 578 N TYR A 38 7.336 -10.593 14.532 1.00 64.13 N ATOM 579 CA TYR A 38 7.306 -12.022 14.827 1.00 64.04 C ATOM 580 C TYR A 38 8.566 -12.440 15.580 1.00 13.41 C ATOM 581 O TYR A 38 9.664 -11.953 15.294 1.00 72.14 O ATOM 582 CB TYR A 38 7.158 -12.834 13.537 1.00 31.23 C ATOM 583 CG TYR A 38 6.731 -14.268 13.764 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.649 -15.311 13.733 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.400 -14.575 14.012 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.249 -16.618 13.945 1.00 51.34 C ATOM 587 CE2 TYR A 38 4.994 -15.877 14.224 1.00 74.11 C ATOM 588 CZ TYR A 38 5.919 -16.893 14.190 1.00 52.12 C ATOM 589 OH TYR A 38 5.515 -18.191 14.406 1.00 52.04 O ATOM 0 H TYR A 38 7.410 -10.369 13.540 1.00 64.13 H new ATOM 0 HA TYR A 38 6.443 -12.224 15.462 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.428 -12.345 12.893 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.109 -12.828 13.004 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.690 -15.098 13.541 1.00 63.21 H new ATOM 0 HD2 TYR A 38 4.669 -13.781 14.040 1.00 42.20 H new ATOM 0 HE1 TYR A 38 7.973 -17.419 13.919 1.00 51.34 H new ATOM 0 HE2 TYR A 38 3.954 -16.096 14.416 1.00 74.11 H new ATOM 0 HH TYR A 38 4.551 -18.264 14.248 1.00 52.04 H new ATOM 599 N GLU A 39 8.399 -13.337 16.543 1.00 24.42 N ATOM 600 CA GLU A 39 9.505 -13.779 17.379 1.00 12.31 C ATOM 601 C GLU A 39 9.816 -15.253 17.160 1.00 14.54 C ATOM 602 O GLU A 39 8.919 -16.060 16.906 1.00 3.41 O ATOM 603 CB GLU A 39 9.176 -13.553 18.853 1.00 45.13 C ATOM 604 CG GLU A 39 9.048 -12.093 19.245 1.00 72.52 C ATOM 605 CD GLU A 39 8.526 -11.932 20.653 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.288 -11.890 20.824 1.00 5.53 O ATOM 607 OE2 GLU A 39 9.342 -11.853 21.594 1.00 51.15 O1- ATOM 0 H GLU A 39 7.504 -13.774 16.764 1.00 24.42 H new ATOM 0 HA GLU A 39 10.380 -13.193 17.099 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.242 -14.064 19.088 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.953 -14.014 19.462 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.020 -11.608 19.161 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.378 -11.588 18.549 1.00 72.52 H new ATOM 614 N ILE A 40 11.094 -15.585 17.255 1.00 4.54 N ATOM 615 CA ILE A 40 11.542 -16.968 17.223 1.00 42.33 C ATOM 616 C ILE A 40 12.325 -17.282 18.495 1.00 75.11 C ATOM 617 O ILE A 40 12.740 -16.369 19.215 1.00 0.45 O ATOM 618 CB ILE A 40 12.439 -17.258 16.004 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.707 -16.403 16.067 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.680 -17.010 14.708 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.702 -16.704 14.974 1.00 11.34 C ATOM 0 H ILE A 40 11.848 -14.905 17.356 1.00 4.54 H new ATOM 0 HA ILE A 40 10.654 -17.596 17.150 1.00 42.33 H new ATOM 0 HB ILE A 40 12.730 -18.308 16.026 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.427 -15.351 16.011 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.187 -16.554 17.034 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.331 -17.220 13.859 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.808 -17.662 14.667 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.357 -15.970 14.669 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.573 -16.058 15.087 1.00 11.34 H new ATOM 0 HD12 ILE A 40 15.013 -17.747 15.042 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.241 -16.525 14.003 1.00 11.34 H new ATOM 633 N GLU A 41 12.534 -18.561 18.765 1.00 61.12 N ATOM 634 CA GLU A 41 13.272 -18.977 19.948 1.00 13.03 C ATOM 635 C GLU A 41 14.266 -20.085 19.605 1.00 60.15 C ATOM 636 O GLU A 41 13.984 -20.957 18.785 1.00 54.15 O ATOM 637 CB GLU A 41 12.305 -19.451 21.036 1.00 74.33 C ATOM 638 CG GLU A 41 12.986 -19.783 22.351 1.00 15.40 C ATOM 639 CD GLU A 41 12.008 -20.164 23.441 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.208 -19.301 23.854 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.049 -21.325 23.906 1.00 65.45 O1- ATOM 0 H GLU A 41 12.203 -19.329 18.181 1.00 61.12 H new ATOM 0 HA GLU A 41 13.831 -18.119 20.322 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.558 -18.677 21.209 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.773 -20.333 20.679 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.686 -20.604 22.195 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.571 -18.923 22.679 1.00 15.40 H new ATOM 648 N TYR A 42 15.430 -20.041 20.238 1.00 75.13 N ATOM 649 CA TYR A 42 16.473 -21.033 20.015 1.00 70.02 C ATOM 650 C TYR A 42 16.295 -22.216 20.953 1.00 70.13 C ATOM 651 O TYR A 42 16.602 -22.126 22.143 1.00 31.24 O ATOM 652 CB TYR A 42 17.857 -20.417 20.220 1.00 71.13 C ATOM 653 CG TYR A 42 18.169 -19.284 19.271 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.646 -19.537 17.991 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.994 -17.962 19.658 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.942 -18.501 17.123 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.285 -16.924 18.798 1.00 60.14 C ATOM 658 CZ TYR A 42 18.760 -17.196 17.533 1.00 71.20 C ATOM 659 OH TYR A 42 19.057 -16.158 16.679 1.00 33.12 O ATOM 0 H TYR A 42 15.677 -19.321 20.917 1.00 75.13 H new ATOM 0 HA TYR A 42 16.391 -21.381 18.985 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.933 -20.052 21.244 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.611 -21.195 20.102 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.788 -20.558 17.669 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.624 -17.743 20.649 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.313 -18.712 16.131 1.00 52.40 H new ATOM 0 HE2 TYR A 42 18.141 -15.902 19.115 1.00 60.14 H new ATOM 0 HH TYR A 42 18.918 -16.446 15.753 1.00 33.12 H new ATOM 669 N VAL A 43 15.764 -23.309 20.431 1.00 14.33 N ATOM 670 CA VAL A 43 15.557 -24.504 21.232 1.00 13.01 C ATOM 671 C VAL A 43 16.636 -25.544 20.945 1.00 43.53 C ATOM 672 O VAL A 43 17.332 -25.477 19.932 1.00 23.35 O ATOM 673 CB VAL A 43 14.164 -25.128 21.001 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.073 -24.180 21.477 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.964 -25.499 19.536 1.00 10.23 C ATOM 0 H VAL A 43 15.469 -23.394 19.458 1.00 14.33 H new ATOM 0 HA VAL A 43 15.619 -24.195 22.275 1.00 13.01 H new ATOM 0 HB VAL A 43 14.101 -26.046 21.585 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.097 -24.634 21.307 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.201 -23.983 22.541 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.138 -23.243 20.924 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.974 -25.936 19.403 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.051 -24.605 18.919 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.723 -26.222 19.237 1.00 10.23 H new ATOM 685 N CYS A 44 16.764 -26.503 21.842 1.00 44.41 N ATOM 686 CA CYS A 44 17.797 -27.516 21.735 1.00 33.42 C ATOM 687 C CYS A 44 17.195 -28.836 21.253 1.00 23.24 C ATOM 688 O CYS A 44 16.004 -28.906 20.951 1.00 51.42 O ATOM 689 CB CYS A 44 18.493 -27.691 23.084 1.00 2.24 C ATOM 690 SG CYS A 44 20.043 -28.649 23.019 1.00 3.51 S ATOM 0 H CYS A 44 16.161 -26.602 22.659 1.00 44.41 H new ATOM 0 HA CYS A 44 18.539 -27.197 21.003 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.707 -26.706 23.498 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.805 -28.183 23.772 1.00 2.24 H new ATOM 695 N ARG A 45 18.029 -29.867 21.181 1.00 62.05 N ATOM 696 CA ARG A 45 17.624 -31.178 20.689 1.00 5.01 C ATOM 697 C ARG A 45 16.439 -31.727 21.477 1.00 54.03 C ATOM 698 O ARG A 45 16.509 -31.884 22.698 1.00 24.32 O ATOM 699 CB ARG A 45 18.800 -32.144 20.814 1.00 71.44 C ATOM 700 CG ARG A 45 19.422 -32.548 19.489 1.00 42.32 C ATOM 701 CD ARG A 45 18.480 -33.415 18.675 1.00 12.32 C ATOM 702 NE ARG A 45 19.158 -34.033 17.539 1.00 32.41 N ATOM 703 CZ ARG A 45 18.641 -35.005 16.795 1.00 70.05 C ATOM 704 NH1 ARG A 45 17.428 -35.475 17.059 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 19.347 -35.511 15.793 1.00 35.41 N ATOM 0 H ARG A 45 19.008 -29.817 21.463 1.00 62.05 H new ATOM 0 HA ARG A 45 17.322 -31.074 19.647 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.567 -31.685 21.437 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.464 -33.042 21.333 1.00 71.44 H new ATOM 0 HG2 ARG A 45 19.680 -31.655 18.920 1.00 42.32 H new ATOM 0 HG3 ARG A 45 20.350 -33.089 19.671 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.058 -34.192 19.313 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.647 -32.810 18.316 1.00 12.32 H new ATOM 0 HE ARG A 45 20.091 -33.696 17.301 1.00 32.41 H new ATOM 0 HH11 ARG A 45 16.890 -35.090 17.835 1.00 54.35 H new ATOM 0 HH12 ARG A 45 17.034 -36.221 16.486 1.00 54.35 H new ATOM 0 HH21 ARG A 45 20.282 -35.154 15.597 1.00 35.41 H new ATOM 0 HH22 ARG A 45 18.955 -36.257 15.219 1.00 35.41 H new ATOM 719 N GLY A 46 15.353 -32.004 20.766 1.00 62.21 N ATOM 720 CA GLY A 46 14.171 -32.559 21.386 1.00 35.13 C ATOM 721 C GLY A 46 13.450 -31.542 22.243 1.00 50.42 C ATOM 722 O GLY A 46 12.652 -30.751 21.743 1.00 24.32 O ATOM 0 H GLY A 46 15.273 -31.851 19.761 1.00 62.21 H new ATOM 0 HA2 GLY A 46 13.495 -32.927 20.614 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.451 -33.416 21.999 1.00 35.13 H new ATOM 726 N GLU A 47 13.735 -31.566 23.531 1.00 62.41 N ATOM 727 CA GLU A 47 13.161 -30.612 24.463 1.00 21.42 C ATOM 728 C GLU A 47 14.160 -30.308 25.565 1.00 12.53 C ATOM 729 O GLU A 47 13.832 -30.300 26.750 1.00 4.41 O ATOM 730 CB GLU A 47 11.835 -31.132 25.030 1.00 22.13 C ATOM 731 CG GLU A 47 11.872 -32.580 25.478 1.00 11.01 C ATOM 732 CD GLU A 47 10.500 -33.086 25.852 1.00 54.23 C ATOM 733 OE1 GLU A 47 9.691 -33.355 24.938 1.00 31.03 O ATOM 734 OE2 GLU A 47 10.215 -33.209 27.061 1.00 71.43 O1- ATOM 0 H GLU A 47 14.367 -32.242 23.960 1.00 62.41 H new ATOM 0 HA GLU A 47 12.941 -29.685 23.934 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.547 -30.509 25.877 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.060 -31.018 24.272 1.00 22.13 H new ATOM 0 HG2 GLU A 47 12.282 -33.197 24.679 1.00 11.01 H new ATOM 0 HG3 GLU A 47 12.541 -32.679 26.332 1.00 11.01 H new ATOM 741 N ARG A 48 15.388 -30.036 25.153 1.00 3.22 N ATOM 742 CA ARG A 48 16.436 -29.663 26.082 1.00 11.31 C ATOM 743 C ARG A 48 16.405 -28.160 26.304 1.00 51.34 C ATOM 744 O ARG A 48 16.385 -27.385 25.348 1.00 74.21 O ATOM 745 CB ARG A 48 17.809 -30.073 25.538 1.00 14.32 C ATOM 746 CG ARG A 48 18.110 -31.560 25.641 1.00 42.31 C ATOM 747 CD ARG A 48 18.505 -31.942 27.058 1.00 42.54 C ATOM 748 NE ARG A 48 19.651 -31.159 27.531 1.00 62.44 N ATOM 749 CZ ARG A 48 20.826 -31.686 27.889 1.00 10.24 C ATOM 750 NH1 ARG A 48 21.038 -32.992 27.783 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.801 -30.905 28.334 1.00 20.12 N ATOM 0 H ARG A 48 15.682 -30.068 24.177 1.00 3.22 H new ATOM 0 HA ARG A 48 16.267 -30.179 27.027 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.876 -29.773 24.492 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.579 -29.521 26.077 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.234 -32.133 25.337 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.915 -31.820 24.953 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.658 -31.787 27.726 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.750 -33.004 27.094 1.00 42.54 H new ATOM 0 HE ARG A 48 19.545 -30.146 27.591 1.00 62.44 H new ATOM 0 HH11 ARG A 48 20.302 -33.601 27.426 1.00 25.54 H new ATOM 0 HH12 ARG A 48 21.937 -33.387 28.058 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.656 -29.898 28.404 1.00 20.12 H new ATOM 0 HH22 ARG A 48 22.696 -31.311 28.606 1.00 20.12 H new ATOM 765 N GLU A 49 16.391 -27.753 27.559 1.00 44.11 N ATOM 766 CA GLU A 49 16.353 -26.343 27.896 1.00 30.02 C ATOM 767 C GLU A 49 17.736 -25.734 27.740 1.00 63.13 C ATOM 768 O GLU A 49 18.748 -26.419 27.907 1.00 72.31 O ATOM 769 CB GLU A 49 15.841 -26.151 29.320 1.00 5.24 C ATOM 770 CG GLU A 49 14.412 -26.634 29.511 1.00 21.11 C ATOM 771 CD GLU A 49 13.951 -26.541 30.946 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.606 -25.429 31.389 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.931 -27.582 31.635 1.00 41.04 O1- ATOM 0 H GLU A 49 16.405 -28.380 28.363 1.00 44.11 H new ATOM 0 HA GLU A 49 15.669 -25.836 27.215 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.494 -26.686 30.010 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.899 -25.094 29.581 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.746 -26.044 28.881 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.335 -27.668 29.175 1.00 21.11 H new ATOM 780 N VAL A 50 17.771 -24.461 27.391 1.00 34.14 N ATOM 781 CA VAL A 50 19.021 -23.767 27.150 1.00 54.31 C ATOM 782 C VAL A 50 19.096 -22.493 27.977 1.00 4.42 C ATOM 783 O VAL A 50 18.070 -21.886 28.293 1.00 41.03 O ATOM 784 CB VAL A 50 19.204 -23.406 25.654 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.242 -24.661 24.796 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.107 -22.462 25.176 1.00 31.42 C ATOM 0 H VAL A 50 16.940 -23.883 27.267 1.00 34.14 H new ATOM 0 HA VAL A 50 19.820 -24.448 27.444 1.00 54.31 H new ATOM 0 HB VAL A 50 20.159 -22.890 25.551 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.371 -24.383 23.750 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.074 -25.291 25.109 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.308 -25.210 24.913 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.262 -22.227 24.123 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.135 -22.940 25.302 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.137 -21.543 25.761 1.00 31.42 H new ATOM 796 N VAL A 51 20.305 -22.100 28.344 1.00 23.20 N ATOM 797 CA VAL A 51 20.507 -20.806 28.968 1.00 2.24 C ATOM 798 C VAL A 51 21.168 -19.861 27.965 1.00 12.52 C ATOM 799 O VAL A 51 22.379 -19.904 27.726 1.00 73.23 O ATOM 800 CB VAL A 51 21.332 -20.905 30.280 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.638 -21.654 30.067 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.600 -19.522 30.856 1.00 4.13 C ATOM 0 H VAL A 51 21.153 -22.654 28.222 1.00 23.20 H new ATOM 0 HA VAL A 51 19.533 -20.408 29.253 1.00 2.24 H new ATOM 0 HB VAL A 51 20.737 -21.472 30.996 1.00 35.20 H new ATOM 0 HG11 VAL A 51 23.187 -21.703 31.007 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.425 -22.665 29.718 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.239 -21.132 29.322 1.00 24.00 H new ATOM 0 HG21 VAL A 51 22.179 -19.616 31.775 1.00 4.13 H new ATOM 0 HG22 VAL A 51 22.160 -18.929 30.133 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.653 -19.029 31.074 1.00 4.13 H new ATOM 812 N GLY A 52 20.337 -19.067 27.323 1.00 43.00 N ATOM 813 CA GLY A 52 20.810 -18.114 26.351 1.00 12.21 C ATOM 814 C GLY A 52 19.854 -16.957 26.213 1.00 21.54 C ATOM 815 O GLY A 52 18.747 -17.012 26.750 1.00 21.14 O ATOM 0 H GLY A 52 19.326 -19.066 27.460 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.792 -17.745 26.648 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.932 -18.605 25.386 1.00 12.21 H new ATOM 819 N PRO A 53 20.236 -15.900 25.492 1.00 41.45 N ATOM 820 CA PRO A 53 19.333 -14.796 25.190 1.00 13.20 C ATOM 821 C PRO A 53 18.383 -15.171 24.059 1.00 34.33 C ATOM 822 O PRO A 53 18.376 -14.539 22.999 1.00 53.40 O ATOM 823 CB PRO A 53 20.284 -13.682 24.753 1.00 30.31 C ATOM 824 CG PRO A 53 21.450 -14.396 24.160 1.00 70.42 C ATOM 825 CD PRO A 53 21.577 -15.697 24.910 1.00 22.42 C ATOM 0 HA PRO A 53 18.700 -14.515 26.031 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.813 -13.020 24.026 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.586 -13.064 25.598 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.296 -14.574 23.096 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.359 -13.802 24.256 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.853 -16.516 24.246 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.344 -15.640 25.682 1.00 22.42 H new ATOM 833 N LYS A 54 17.588 -16.215 24.278 1.00 53.33 N ATOM 834 CA LYS A 54 16.760 -16.756 23.217 1.00 53.43 C ATOM 835 C LYS A 54 15.484 -15.937 23.032 1.00 54.24 C ATOM 836 O LYS A 54 14.421 -16.265 23.562 1.00 72.35 O ATOM 837 CB LYS A 54 16.430 -18.233 23.487 1.00 14.34 C ATOM 838 CG LYS A 54 15.794 -18.495 24.846 1.00 2.25 C ATOM 839 CD LYS A 54 15.257 -19.913 24.945 1.00 62.01 C ATOM 840 CE LYS A 54 14.374 -20.089 26.169 1.00 22.54 C ATOM 841 NZ LYS A 54 13.678 -21.402 26.163 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.503 -16.696 25.174 1.00 53.33 H new ATOM 0 HA LYS A 54 17.327 -16.695 22.288 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.756 -18.591 22.709 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.346 -18.818 23.409 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.531 -18.328 25.632 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.984 -17.785 25.013 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.687 -20.151 24.047 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.089 -20.616 24.991 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.981 -20.003 27.070 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.637 -19.287 26.204 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.153 -21.520 27.053 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.016 -21.440 25.362 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.378 -22.166 26.070 1.00 20.32 H new ATOM 855 N VAL A 55 15.620 -14.873 22.257 1.00 2.14 N ATOM 856 CA VAL A 55 14.503 -14.049 21.818 1.00 11.43 C ATOM 857 C VAL A 55 14.926 -13.289 20.575 1.00 43.22 C ATOM 858 O VAL A 55 15.951 -12.608 20.574 1.00 65.24 O ATOM 859 CB VAL A 55 14.043 -13.021 22.889 1.00 34.24 C ATOM 860 CG1 VAL A 55 13.098 -13.646 23.901 1.00 71.14 C ATOM 861 CG2 VAL A 55 15.242 -12.401 23.597 1.00 74.12 C ATOM 0 H VAL A 55 16.523 -14.552 21.909 1.00 2.14 H new ATOM 0 HA VAL A 55 13.663 -14.717 21.626 1.00 11.43 H new ATOM 0 HB VAL A 55 13.499 -12.234 22.367 1.00 34.24 H new ATOM 0 HG11 VAL A 55 12.800 -12.895 24.632 1.00 71.14 H new ATOM 0 HG12 VAL A 55 12.214 -14.024 23.388 1.00 71.14 H new ATOM 0 HG13 VAL A 55 13.602 -14.468 24.410 1.00 71.14 H new ATOM 0 HG21 VAL A 55 14.895 -11.685 24.342 1.00 74.12 H new ATOM 0 HG22 VAL A 55 15.819 -13.184 24.088 1.00 74.12 H new ATOM 0 HG23 VAL A 55 15.871 -11.890 22.868 1.00 74.12 H new ATOM 871 N ARG A 56 14.150 -13.402 19.519 1.00 3.44 N ATOM 872 CA ARG A 56 14.466 -12.718 18.281 1.00 30.34 C ATOM 873 C ARG A 56 13.200 -12.191 17.641 1.00 34.22 C ATOM 874 O ARG A 56 12.447 -12.943 17.028 1.00 45.24 O ATOM 875 CB ARG A 56 15.191 -13.650 17.300 1.00 31.13 C ATOM 876 CG ARG A 56 16.543 -14.152 17.786 1.00 60.22 C ATOM 877 CD ARG A 56 17.528 -13.012 17.984 1.00 12.52 C ATOM 878 NE ARG A 56 18.813 -13.476 18.512 1.00 73.32 N ATOM 879 CZ ARG A 56 19.386 -12.987 19.615 1.00 41.54 C ATOM 880 NH1 ARG A 56 18.755 -12.075 20.341 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.574 -13.433 20.004 1.00 53.04 N ATOM 0 H ARG A 56 13.297 -13.960 19.491 1.00 3.44 H new ATOM 0 HA ARG A 56 15.129 -11.886 18.518 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.552 -14.509 17.095 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.331 -13.124 16.356 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.415 -14.690 18.725 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.948 -14.862 17.065 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.690 -12.505 17.033 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.100 -12.279 18.667 1.00 12.52 H new ATOM 0 HE ARG A 56 19.299 -14.217 18.007 1.00 73.32 H new ATOM 0 HH11 ARG A 56 17.832 -11.747 20.057 1.00 41.24 H new ATOM 0 HH12 ARG A 56 19.193 -11.702 21.183 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.052 -14.151 19.460 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.009 -13.057 20.847 1.00 53.04 H new ATOM 895 N LYS A 57 12.950 -10.911 17.825 1.00 33.31 N ATOM 896 CA LYS A 57 11.843 -10.253 17.165 1.00 4.11 C ATOM 897 C LYS A 57 12.333 -9.649 15.862 1.00 15.33 C ATOM 898 O LYS A 57 13.313 -8.901 15.858 1.00 3.22 O ATOM 899 CB LYS A 57 11.250 -9.167 18.065 1.00 43.11 C ATOM 900 CG LYS A 57 10.136 -8.367 17.408 1.00 71.30 C ATOM 901 CD LYS A 57 9.665 -7.227 18.295 1.00 14.43 C ATOM 902 CE LYS A 57 8.987 -7.739 19.555 1.00 11.33 C ATOM 903 NZ LYS A 57 8.640 -6.632 20.481 1.00 52.31 N1+ ATOM 0 H LYS A 57 13.502 -10.303 18.430 1.00 33.31 H new ATOM 0 HA LYS A 57 11.060 -10.983 16.958 1.00 4.11 H new ATOM 0 HB2 LYS A 57 10.865 -9.631 18.973 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.045 -8.485 18.368 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.487 -7.967 16.457 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.297 -9.026 17.186 1.00 71.30 H new ATOM 0 HD2 LYS A 57 10.516 -6.602 18.568 1.00 14.43 H new ATOM 0 HD3 LYS A 57 8.971 -6.596 17.739 1.00 14.43 H new ATOM 0 HE2 LYS A 57 8.083 -8.285 19.285 1.00 11.33 H new ATOM 0 HE3 LYS A 57 9.646 -8.444 20.062 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 8.179 -7.020 21.329 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 9.506 -6.127 20.758 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 7.991 -5.972 20.006 1.00 52.31 H new ATOM 917 N CYS A 58 11.684 -9.997 14.764 1.00 72.13 N ATOM 918 CA CYS A 58 12.081 -9.485 13.461 1.00 62.31 C ATOM 919 C CYS A 58 11.883 -7.976 13.405 1.00 74.10 C ATOM 920 O CYS A 58 10.864 -7.450 13.866 1.00 14.35 O ATOM 921 CB CYS A 58 11.300 -10.173 12.343 1.00 65.03 C ATOM 922 SG CYS A 58 11.852 -9.714 10.671 1.00 34.12 S ATOM 0 H CYS A 58 10.883 -10.629 14.747 1.00 72.13 H new ATOM 0 HA CYS A 58 13.139 -9.703 13.314 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.390 -11.253 12.461 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.243 -9.928 12.447 1.00 65.03 H new ATOM 927 N LEU A 59 12.865 -7.290 12.845 1.00 20.31 N ATOM 928 CA LEU A 59 12.884 -5.839 12.825 1.00 35.20 C ATOM 929 C LEU A 59 12.387 -5.312 11.485 1.00 35.41 C ATOM 930 O LEU A 59 12.008 -6.085 10.607 1.00 75.32 O ATOM 931 CB LEU A 59 14.307 -5.340 13.094 1.00 75.13 C ATOM 932 CG LEU A 59 14.922 -5.818 14.413 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.371 -5.373 14.519 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.118 -5.294 15.596 1.00 11.24 C ATOM 0 H LEU A 59 13.670 -7.723 12.392 1.00 20.31 H new ATOM 0 HA LEU A 59 12.218 -5.469 13.604 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.949 -5.660 12.274 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.301 -4.250 13.087 1.00 75.13 H new ATOM 0 HG LEU A 59 14.894 -6.908 14.430 1.00 73.02 H new ATOM 0 HD11 LEU A 59 16.791 -5.722 15.463 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.942 -5.793 13.691 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.421 -4.285 14.480 1.00 24.20 H new ATOM 0 HD21 LEU A 59 14.568 -5.643 16.525 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.116 -4.204 15.580 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.093 -5.660 15.530 1.00 11.24 H new ATOM 946 N ALA A 60 12.379 -3.989 11.336 1.00 33.55 N ATOM 947 CA ALA A 60 11.992 -3.358 10.076 1.00 14.42 C ATOM 948 C ALA A 60 13.070 -3.578 9.019 1.00 34.01 C ATOM 949 O ALA A 60 12.887 -3.270 7.841 1.00 3.23 O ATOM 950 CB ALA A 60 11.735 -1.873 10.282 1.00 21.55 C ATOM 0 H ALA A 60 12.636 -3.333 12.073 1.00 33.55 H new ATOM 0 HA ALA A 60 11.069 -3.819 9.725 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.448 -1.418 9.334 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.931 -1.740 11.006 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.641 -1.395 10.654 1.00 21.55 H new ATOM 956 N ASN A 61 14.203 -4.094 9.460 1.00 62.21 N ATOM 957 CA ASN A 61 15.281 -4.476 8.566 1.00 25.33 C ATOM 958 C ASN A 61 15.394 -5.994 8.549 1.00 24.31 C ATOM 959 O ASN A 61 14.942 -6.659 9.482 1.00 33.40 O ATOM 960 CB ASN A 61 16.604 -3.827 8.999 1.00 32.31 C ATOM 961 CG ASN A 61 16.964 -4.115 10.447 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.519 -3.414 11.360 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.794 -5.122 10.666 1.00 4.55 N ATOM 0 H ASN A 61 14.402 -4.260 10.447 1.00 62.21 H new ATOM 0 HA ASN A 61 15.062 -4.122 7.559 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.406 -4.185 8.353 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.537 -2.749 8.855 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.088 -5.343 11.617 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.139 -5.678 9.883 1.00 4.55 H new ATOM 970 N GLY A 62 15.997 -6.539 7.500 1.00 21.23 N ATOM 971 CA GLY A 62 16.035 -7.984 7.324 1.00 43.34 C ATOM 972 C GLY A 62 17.075 -8.672 8.192 1.00 30.15 C ATOM 973 O GLY A 62 17.906 -9.435 7.694 1.00 74.22 O ATOM 0 H GLY A 62 16.462 -6.007 6.764 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.052 -8.396 7.553 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.240 -8.210 6.277 1.00 43.34 H new ATOM 977 N SER A 63 17.023 -8.410 9.488 1.00 32.44 N ATOM 978 CA SER A 63 17.943 -9.010 10.444 1.00 55.04 C ATOM 979 C SER A 63 17.294 -9.034 11.824 1.00 64.31 C ATOM 980 O SER A 63 16.329 -8.311 12.075 1.00 34.44 O ATOM 981 CB SER A 63 19.258 -8.224 10.495 1.00 2.41 C ATOM 982 OG SER A 63 19.818 -8.073 9.200 1.00 62.04 O ATOM 0 H SER A 63 16.343 -7.776 9.908 1.00 32.44 H new ATOM 0 HA SER A 63 18.167 -10.029 10.128 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.081 -7.242 10.934 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.967 -8.739 11.143 1.00 2.41 H new ATOM 0 HG SER A 63 20.655 -7.567 9.262 1.00 62.04 H new ATOM 988 N TRP A 64 17.823 -9.859 12.710 1.00 43.33 N ATOM 989 CA TRP A 64 17.275 -9.984 14.048 1.00 43.33 C ATOM 990 C TRP A 64 17.983 -9.015 14.990 1.00 14.23 C ATOM 991 O TRP A 64 18.877 -8.277 14.569 1.00 63.32 O ATOM 992 CB TRP A 64 17.418 -11.428 14.542 1.00 65.43 C ATOM 993 CG TRP A 64 16.817 -12.432 13.599 1.00 63.21 C ATOM 994 CD1 TRP A 64 17.480 -13.179 12.667 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.432 -12.791 13.484 1.00 51.21 C ATOM 996 NE1 TRP A 64 16.595 -13.982 11.985 1.00 61.14 N ATOM 997 CE2 TRP A 64 15.333 -13.762 12.469 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.269 -12.386 14.142 1.00 55.00 C ATOM 999 CZ2 TRP A 64 14.117 -14.335 12.099 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 13.062 -12.955 13.773 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.996 -13.918 12.761 1.00 30.45 C ATOM 0 H TRP A 64 18.632 -10.453 12.527 1.00 43.33 H new ATOM 0 HA TRP A 64 16.214 -9.734 14.028 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.475 -11.656 14.682 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.940 -11.522 15.517 1.00 65.43 H new ATOM 0 HD1 TRP A 64 18.545 -13.144 12.491 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.839 -14.635 11.240 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.310 -11.643 14.924 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 14.063 -15.080 11.319 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.156 -12.650 14.275 1.00 13.34 H new ATOM 0 HH2 TRP A 64 12.038 -14.342 12.497 1.00 30.45 H new ATOM 1012 N THR A 65 17.578 -9.010 16.253 1.00 64.24 N ATOM 1013 CA THR A 65 18.161 -8.105 17.236 1.00 62.45 C ATOM 1014 C THR A 65 19.657 -8.371 17.414 1.00 71.12 C ATOM 1015 O THR A 65 20.455 -7.440 17.545 1.00 30.41 O ATOM 1016 CB THR A 65 17.438 -8.228 18.593 1.00 0.54 C ATOM 1017 OG1 THR A 65 17.379 -9.602 19.003 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.029 -7.662 18.510 1.00 4.51 C ATOM 0 H THR A 65 16.849 -9.621 16.621 1.00 64.24 H new ATOM 0 HA THR A 65 18.034 -7.089 16.862 1.00 62.45 H new ATOM 0 HB THR A 65 18.003 -7.655 19.328 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.919 -9.666 19.866 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.540 -7.760 19.479 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.076 -6.609 18.232 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.460 -8.210 17.759 1.00 4.51 H new ATOM 1026 N ASP A 66 20.030 -9.641 17.394 1.00 71.12 N ATOM 1027 CA ASP A 66 21.425 -10.037 17.516 1.00 34.33 C ATOM 1028 C ASP A 66 21.659 -11.285 16.690 1.00 13.42 C ATOM 1029 O ASP A 66 20.834 -12.199 16.718 1.00 3.12 O ATOM 1030 CB ASP A 66 21.774 -10.347 18.977 1.00 63.41 C ATOM 1031 CG ASP A 66 23.266 -10.385 19.219 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.876 -11.449 19.008 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.835 -9.353 19.632 1.00 24.04 O1- ATOM 0 H ASP A 66 19.381 -10.421 17.294 1.00 71.12 H new ATOM 0 HA ASP A 66 22.052 -9.217 17.164 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.323 -9.593 19.623 1.00 63.41 H new ATOM 0 HB3 ASP A 66 21.339 -11.307 19.256 1.00 63.41 H new ATOM 1038 N MET A 67 22.750 -11.348 15.944 1.00 22.12 N ATOM 1039 CA MET A 67 23.080 -12.604 15.303 1.00 54.13 C ATOM 1040 C MET A 67 24.437 -13.093 15.790 1.00 53.22 C ATOM 1041 O MET A 67 25.454 -12.986 15.096 1.00 32.02 O ATOM 1042 CB MET A 67 23.094 -12.424 13.781 1.00 11.22 C ATOM 1043 CG MET A 67 23.143 -13.721 12.993 1.00 72.34 C ATOM 1044 SD MET A 67 21.641 -14.696 13.176 1.00 2.02 S ATOM 1045 CE MET A 67 21.879 -15.908 11.880 1.00 10.45 C ATOM 0 H MET A 67 23.396 -10.578 15.773 1.00 22.12 H new ATOM 0 HA MET A 67 22.326 -13.348 15.561 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.204 -11.868 13.486 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.956 -11.815 13.508 1.00 11.22 H new ATOM 0 HG2 MET A 67 23.300 -13.496 11.938 1.00 72.34 H new ATOM 0 HG3 MET A 67 23.998 -14.311 13.323 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.156 -15.735 11.083 1.00 10.45 H new ATOM 0 HE2 MET A 67 22.889 -15.819 11.480 1.00 10.45 H new ATOM 0 HE3 MET A 67 21.737 -16.909 12.287 1.00 10.45 H new ATOM 1055 N ASP A 68 24.428 -13.583 17.019 1.00 24.31 N ATOM 1056 CA ASP A 68 25.452 -14.462 17.561 1.00 2.01 C ATOM 1057 C ASP A 68 24.954 -14.975 18.899 1.00 63.14 C ATOM 1058 O ASP A 68 25.188 -14.348 19.929 1.00 55.15 O ATOM 1059 CB ASP A 68 26.806 -13.769 17.729 1.00 13.54 C ATOM 1060 CG ASP A 68 27.877 -14.736 18.185 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.747 -14.340 18.987 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.857 -15.904 17.738 1.00 51.53 O1- ATOM 0 H ASP A 68 23.686 -13.374 17.687 1.00 24.31 H new ATOM 0 HA ASP A 68 25.620 -15.278 16.858 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.103 -13.317 16.783 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.713 -12.960 18.454 1.00 13.54 H new ATOM 1067 N THR A 69 24.244 -16.079 18.901 1.00 35.52 N ATOM 1068 CA THR A 69 23.573 -16.506 20.113 1.00 74.33 C ATOM 1069 C THR A 69 24.249 -17.738 20.710 1.00 61.54 C ATOM 1070 O THR A 69 24.177 -18.832 20.152 1.00 13.04 O ATOM 1071 CB THR A 69 22.080 -16.774 19.844 1.00 11.41 C ATOM 1072 OG1 THR A 69 21.545 -15.739 19.007 1.00 32.14 O ATOM 1073 CG2 THR A 69 21.293 -16.825 21.143 1.00 22.51 C ATOM 0 H THR A 69 24.115 -16.690 18.095 1.00 35.52 H new ATOM 0 HA THR A 69 23.648 -15.699 20.842 1.00 74.33 H new ATOM 0 HB THR A 69 21.992 -17.739 19.345 1.00 11.41 H new ATOM 0 HG1 THR A 69 20.665 -16.011 18.672 1.00 32.14 H new ATOM 0 HG21 THR A 69 20.242 -17.015 20.925 1.00 22.51 H new ATOM 0 HG22 THR A 69 21.683 -17.624 21.774 1.00 22.51 H new ATOM 0 HG23 THR A 69 21.388 -15.872 21.664 1.00 22.51 H new ATOM 1081 N PRO A 70 24.940 -17.556 21.849 1.00 34.41 N ATOM 1082 CA PRO A 70 25.692 -18.607 22.525 1.00 42.43 C ATOM 1083 C PRO A 70 24.870 -19.331 23.593 1.00 23.34 C ATOM 1084 O PRO A 70 25.339 -19.558 24.709 1.00 64.14 O ATOM 1085 CB PRO A 70 26.849 -17.832 23.173 1.00 61.51 C ATOM 1086 CG PRO A 70 26.450 -16.381 23.164 1.00 11.35 C ATOM 1087 CD PRO A 70 25.066 -16.295 22.578 1.00 41.03 C ATOM 0 HA PRO A 70 26.005 -19.393 21.838 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.026 -18.179 24.191 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.775 -17.983 22.619 1.00 61.51 H new ATOM 0 HG2 PRO A 70 26.464 -15.973 24.175 1.00 11.35 H new ATOM 0 HG3 PRO A 70 27.153 -15.794 22.574 1.00 11.35 H new ATOM 0 HD2 PRO A 70 24.305 -16.198 23.352 1.00 41.03 H new ATOM 0 HD3 PRO A 70 24.960 -15.434 21.918 1.00 41.03 H new ATOM 1095 N SER A 71 23.650 -19.702 23.247 1.00 21.45 N ATOM 1096 CA SER A 71 22.788 -20.444 24.155 1.00 53.41 C ATOM 1097 C SER A 71 23.252 -21.895 24.275 1.00 14.12 C ATOM 1098 O SER A 71 23.426 -22.584 23.269 1.00 73.30 O ATOM 1099 CB SER A 71 21.345 -20.367 23.653 1.00 41.55 C ATOM 1100 OG SER A 71 21.315 -20.056 22.269 1.00 70.34 O ATOM 0 H SER A 71 23.231 -19.501 22.339 1.00 21.45 H new ATOM 0 HA SER A 71 22.842 -20.001 25.149 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.842 -21.318 23.829 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.799 -19.609 24.214 1.00 41.55 H new ATOM 0 HG SER A 71 20.385 -20.012 21.964 1.00 70.34 H new ATOM 1106 N ARG A 72 23.475 -22.353 25.501 1.00 45.03 N ATOM 1107 CA ARG A 72 23.946 -23.719 25.724 1.00 4.44 C ATOM 1108 C ARG A 72 22.836 -24.564 26.351 1.00 75.30 C ATOM 1109 O ARG A 72 22.003 -24.050 27.100 1.00 23.40 O ATOM 1110 CB ARG A 72 25.192 -23.729 26.621 1.00 34.44 C ATOM 1111 CG ARG A 72 24.892 -23.489 28.089 1.00 12.31 C ATOM 1112 CD ARG A 72 26.157 -23.458 28.925 1.00 24.33 C ATOM 1113 NE ARG A 72 26.893 -22.208 28.767 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.730 -21.724 29.680 1.00 64.42 C ATOM 1115 NH1 ARG A 72 28.012 -22.427 30.770 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.304 -20.543 29.493 1.00 31.31 N ATOM 0 H ARG A 72 23.339 -21.806 26.351 1.00 45.03 H new ATOM 0 HA ARG A 72 24.217 -24.149 24.760 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.697 -24.689 26.515 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.886 -22.964 26.272 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.359 -22.545 28.201 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.232 -24.274 28.458 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.900 -23.596 29.975 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.798 -24.293 28.642 1.00 24.33 H new ATOM 0 HE ARG A 72 26.758 -21.675 27.908 1.00 52.22 H new ATOM 0 HH11 ARG A 72 27.586 -23.343 30.910 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.655 -22.051 31.467 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.103 -20.006 28.649 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.946 -20.171 30.193 1.00 31.31 H new ATOM 1130 N CYS A 73 22.833 -25.855 26.049 1.00 4.41 N ATOM 1131 CA CYS A 73 21.774 -26.752 26.506 1.00 74.22 C ATOM 1132 C CYS A 73 22.084 -27.324 27.884 1.00 15.32 C ATOM 1133 O CYS A 73 23.016 -28.113 28.039 1.00 21.44 O ATOM 1134 CB CYS A 73 21.593 -27.902 25.513 1.00 72.10 C ATOM 1135 SG CYS A 73 21.431 -27.379 23.780 1.00 53.24 S ATOM 0 H CYS A 73 23.554 -26.308 25.488 1.00 4.41 H new ATOM 0 HA CYS A 73 20.855 -26.170 26.571 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.445 -28.577 25.598 1.00 72.10 H new ATOM 0 HB3 CYS A 73 20.706 -28.471 25.792 1.00 72.10 H new ATOM 1140 N VAL A 74 21.285 -26.953 28.873 1.00 70.53 N ATOM 1141 CA VAL A 74 21.467 -27.447 30.228 1.00 64.52 C ATOM 1142 C VAL A 74 20.154 -27.378 31.005 1.00 43.42 C ATOM 1143 O VAL A 74 19.425 -26.387 30.922 1.00 34.31 O ATOM 1144 CB VAL A 74 22.573 -26.663 30.976 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.211 -25.193 31.118 1.00 11.41 C ATOM 1146 CG2 VAL A 74 22.852 -27.291 32.334 1.00 43.31 C ATOM 0 H VAL A 74 20.502 -26.309 28.761 1.00 70.53 H new ATOM 0 HA VAL A 74 21.783 -28.488 30.158 1.00 64.52 H new ATOM 0 HB VAL A 74 23.484 -26.720 30.381 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.008 -24.671 31.647 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.083 -24.753 30.129 1.00 11.41 H new ATOM 0 HG13 VAL A 74 21.281 -25.100 31.679 1.00 11.41 H new ATOM 0 HG21 VAL A 74 23.632 -26.725 32.843 1.00 43.31 H new ATOM 0 HG22 VAL A 74 21.943 -27.277 32.935 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.181 -28.321 32.198 1.00 43.31 H new ATOM 1156 N ARG A 75 19.838 -28.449 31.723 1.00 64.45 N ATOM 1157 CA ARG A 75 18.636 -28.497 32.543 1.00 54.13 C ATOM 1158 C ARG A 75 18.824 -29.496 33.689 1.00 45.21 C ATOM 1159 O ARG A 75 18.002 -30.426 33.834 1.00 37.22 O ATOM 1160 CB ARG A 75 17.407 -28.852 31.683 1.00 55.34 C ATOM 1161 CG ARG A 75 17.456 -30.233 31.040 1.00 43.51 C ATOM 1162 CD ARG A 75 16.274 -30.465 30.108 1.00 51.22 C ATOM 1163 NE ARG A 75 15.015 -29.972 30.667 1.00 74.41 N ATOM 1164 CZ ARG A 75 13.836 -30.573 30.512 1.00 23.14 C ATOM 1165 NH1 ARG A 75 13.756 -31.763 29.925 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 12.741 -29.985 30.976 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.830 -29.365 34.419 1.00 37.22 O ATOM 0 H ARG A 75 20.401 -29.299 31.753 1.00 64.45 H new ATOM 0 HA ARG A 75 18.461 -27.512 32.976 1.00 54.13 H new ATOM 0 HB2 ARG A 75 16.514 -28.788 32.305 1.00 55.34 H new ATOM 0 HB3 ARG A 75 17.302 -28.104 30.897 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.386 -30.341 30.482 1.00 43.51 H new ATOM 0 HG3 ARG A 75 17.461 -30.996 31.818 1.00 43.51 H new ATOM 0 HD2 ARG A 75 16.464 -29.970 29.156 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.183 -31.531 29.900 1.00 51.22 H new ATOM 0 HE ARG A 75 15.042 -29.110 31.212 1.00 74.41 H new ATOM 0 HH11 ARG A 75 14.602 -32.224 29.589 1.00 33.54 H new ATOM 0 HH12 ARG A 75 12.849 -32.215 29.811 1.00 33.54 H new ATOM 0 HH21 ARG A 75 12.807 -29.082 31.446 1.00 4.05 H new ATOM 0 HH22 ARG A 75 11.833 -30.436 30.863 1.00 4.05 H new