USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 822 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 65 GLN : amide:sc= -0.399 K(o=-1.3,f=-4.5!) USER MOD Set 1.2: A 79 TYR OH : rot 145:sc= -0.866 USER MOD Set 2.1: A 29 TYR OH : rot 166:sc= 1.18 USER MOD Set 2.2: A 97 THR OG1 : rot 65:sc= 1.15 USER MOD Single : A 9 SER OG : rot 180:sc= -0.32 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0746 (180deg=-0.451) USER MOD Single : A 28 GLN : amide:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00629) USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00186) USER MOD Single : A 33 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-9.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.105 K(o=-0.1,f=-1) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.42 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -105:sc= -0.183 USER MOD Single : A 59 GLN : amide:sc= -0.441 K(o=-0.44,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 67 SER OG : rot 119:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 136:sc= 0.25 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0474 K(o=-0.047,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot 73:sc= 0.038 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 89 HIS : no HE2:sc= -0.369 K(o=0.22,f=-3.8!) USER MOD Single : A 90 GLN : amide:sc= -0.456 K(o=-0.46,f=-1.7!) USER MOD Single : A 95 LYS NZ :NH3+ 145:sc=-3.15e-05 (180deg=-0.0424) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.519 6.021 -8.105 1.00 55.35 N ATOM 64 CA VAL A 7 -9.856 6.938 -9.188 1.00 72.44 C ATOM 65 C VAL A 7 -11.137 7.705 -8.881 1.00 34.40 C ATOM 66 O VAL A 7 -11.131 8.932 -8.783 1.00 42.53 O ATOM 67 CB VAL A 7 -10.026 6.190 -10.524 1.00 75.30 C ATOM 68 CG1 VAL A 7 -10.195 7.175 -11.670 1.00 52.23 C ATOM 69 CG2 VAL A 7 -8.842 5.268 -10.773 1.00 33.34 C ATOM 0 HA VAL A 7 -9.028 7.641 -9.276 1.00 72.44 H new ATOM 0 HB VAL A 7 -10.927 5.579 -10.466 1.00 75.30 H new ATOM 0 HG11 VAL A 7 -10.314 6.628 -12.605 1.00 52.23 H new ATOM 0 HG12 VAL A 7 -11.078 7.789 -11.494 1.00 52.23 H new ATOM 0 HG13 VAL A 7 -9.315 7.815 -11.733 1.00 52.23 H new ATOM 0 HG21 VAL A 7 -8.979 4.748 -11.721 1.00 33.34 H new ATOM 0 HG22 VAL A 7 -7.925 5.856 -10.811 1.00 33.34 H new ATOM 0 HG23 VAL A 7 -8.773 4.539 -9.966 1.00 33.34 H new ATOM 79 N LEU A 8 -12.236 6.973 -8.729 1.00 1.32 N ATOM 80 CA LEU A 8 -13.527 7.584 -8.431 1.00 43.34 C ATOM 81 C LEU A 8 -14.107 7.027 -7.136 1.00 12.25 C ATOM 82 O LEU A 8 -14.417 5.839 -7.042 1.00 44.54 O ATOM 83 CB LEU A 8 -14.503 7.347 -9.585 1.00 13.04 C ATOM 84 CG LEU A 8 -14.050 7.839 -10.960 1.00 34.13 C ATOM 85 CD1 LEU A 8 -15.158 7.651 -11.985 1.00 43.41 C ATOM 86 CD2 LEU A 8 -13.626 9.299 -10.891 1.00 33.31 C ATOM 0 H LEU A 8 -12.259 5.956 -8.807 1.00 1.32 H new ATOM 0 HA LEU A 8 -13.374 8.656 -8.307 1.00 43.34 H new ATOM 0 HB2 LEU A 8 -14.702 6.277 -9.652 1.00 13.04 H new ATOM 0 HB3 LEU A 8 -15.448 7.833 -9.341 1.00 13.04 H new ATOM 0 HG LEU A 8 -13.190 7.247 -11.272 1.00 34.13 H new ATOM 0 HD11 LEU A 8 -14.818 8.007 -12.958 1.00 43.41 H new ATOM 0 HD12 LEU A 8 -15.414 6.594 -12.054 1.00 43.41 H new ATOM 0 HD13 LEU A 8 -16.037 8.218 -11.679 1.00 43.41 H new ATOM 0 HD21 LEU A 8 -13.307 9.632 -11.878 1.00 33.31 H new ATOM 0 HD22 LEU A 8 -14.467 9.907 -10.557 1.00 33.31 H new ATOM 0 HD23 LEU A 8 -12.800 9.405 -10.188 1.00 33.31 H new ATOM 98 N SER A 9 -14.254 7.894 -6.138 1.00 71.33 N ATOM 99 CA SER A 9 -14.796 7.488 -4.847 1.00 13.02 C ATOM 100 C SER A 9 -16.264 7.091 -4.974 1.00 61.23 C ATOM 101 O SER A 9 -16.796 6.984 -6.078 1.00 51.13 O ATOM 102 CB SER A 9 -14.649 8.621 -3.830 1.00 15.34 C ATOM 103 OG SER A 9 -15.568 9.667 -4.095 1.00 40.22 O ATOM 0 H SER A 9 -14.005 8.881 -6.199 1.00 71.33 H new ATOM 0 HA SER A 9 -14.232 6.622 -4.500 1.00 13.02 H new ATOM 0 HB2 SER A 9 -14.813 8.235 -2.824 1.00 15.34 H new ATOM 0 HB3 SER A 9 -13.631 9.011 -3.860 1.00 15.34 H new ATOM 0 HG SER A 9 -15.455 10.378 -3.430 1.00 40.22 H new ATOM 109 N GLY A 10 -16.913 6.873 -3.834 1.00 62.14 N ATOM 110 CA GLY A 10 -18.313 6.490 -3.839 1.00 65.32 C ATOM 111 C GLY A 10 -19.177 7.462 -4.617 1.00 71.22 C ATOM 112 O GLY A 10 -19.960 7.057 -5.476 1.00 45.31 O ATOM 0 H GLY A 10 -16.494 6.955 -2.907 1.00 62.14 H new ATOM 0 HA2 GLY A 10 -18.413 5.494 -4.271 1.00 65.32 H new ATOM 0 HA3 GLY A 10 -18.674 6.430 -2.812 1.00 65.32 H new ATOM 116 N GLY A 11 -19.037 8.749 -4.315 1.00 12.03 N ATOM 117 CA GLY A 11 -19.820 9.761 -5.000 1.00 4.32 C ATOM 118 C GLY A 11 -19.456 9.881 -6.466 1.00 44.33 C ATOM 119 O GLY A 11 -20.333 9.922 -7.328 1.00 42.13 O ATOM 0 H GLY A 11 -18.396 9.109 -3.608 1.00 12.03 H new ATOM 0 HA2 GLY A 11 -20.879 9.519 -4.910 1.00 4.32 H new ATOM 0 HA3 GLY A 11 -19.671 10.724 -4.512 1.00 4.32 H new ATOM 123 N GLU A 12 -18.158 9.940 -6.750 1.00 30.43 N ATOM 124 CA GLU A 12 -17.681 10.059 -8.123 1.00 32.54 C ATOM 125 C GLU A 12 -18.118 8.857 -8.956 1.00 43.11 C ATOM 126 O GLU A 12 -18.338 8.971 -10.163 1.00 15.35 O ATOM 127 CB GLU A 12 -16.156 10.183 -8.147 1.00 54.44 C ATOM 128 CG GLU A 12 -15.613 11.201 -7.158 1.00 62.33 C ATOM 129 CD GLU A 12 -14.127 11.448 -7.333 1.00 21.32 C ATOM 130 OE1 GLU A 12 -13.327 10.632 -6.828 1.00 33.02 O ATOM 131 OE2 GLU A 12 -13.764 12.456 -7.974 1.00 23.05 O1- ATOM 0 H GLU A 12 -17.419 9.907 -6.048 1.00 30.43 H new ATOM 0 HA GLU A 12 -18.118 10.958 -8.557 1.00 32.54 H new ATOM 0 HB2 GLU A 12 -15.717 9.209 -7.931 1.00 54.44 H new ATOM 0 HB3 GLU A 12 -15.838 10.460 -9.152 1.00 54.44 H new ATOM 0 HG2 GLU A 12 -16.151 12.142 -7.278 1.00 62.33 H new ATOM 0 HG3 GLU A 12 -15.803 10.853 -6.143 1.00 62.33 H new ATOM 138 N LEU A 13 -18.240 7.706 -8.305 1.00 23.22 N ATOM 139 CA LEU A 13 -18.649 6.482 -8.985 1.00 33.24 C ATOM 140 C LEU A 13 -20.069 6.609 -9.527 1.00 50.44 C ATOM 141 O LEU A 13 -20.310 6.406 -10.717 1.00 61.35 O ATOM 142 CB LEU A 13 -18.561 5.290 -8.029 1.00 55.41 C ATOM 143 CG LEU A 13 -18.610 3.906 -8.676 1.00 65.14 C ATOM 144 CD1 LEU A 13 -17.506 3.763 -9.713 1.00 21.31 C ATOM 145 CD2 LEU A 13 -18.494 2.818 -7.618 1.00 54.34 C ATOM 0 H LEU A 13 -18.062 7.594 -7.307 1.00 23.22 H new ATOM 0 HA LEU A 13 -17.972 6.318 -9.824 1.00 33.24 H new ATOM 0 HB2 LEU A 13 -17.633 5.372 -7.463 1.00 55.41 H new ATOM 0 HB3 LEU A 13 -19.379 5.363 -7.313 1.00 55.41 H new ATOM 0 HG LEU A 13 -19.571 3.795 -9.179 1.00 65.14 H new ATOM 0 HD11 LEU A 13 -17.556 2.772 -10.163 1.00 21.31 H new ATOM 0 HD12 LEU A 13 -17.633 4.520 -10.487 1.00 21.31 H new ATOM 0 HD13 LEU A 13 -16.536 3.895 -9.233 1.00 21.31 H new ATOM 0 HD21 LEU A 13 -18.531 1.839 -8.097 1.00 54.34 H new ATOM 0 HD22 LEU A 13 -17.549 2.927 -7.087 1.00 54.34 H new ATOM 0 HD23 LEU A 13 -19.320 2.908 -6.912 1.00 54.34 H new ATOM 157 N ASP A 14 -21.005 6.949 -8.648 1.00 4.51 N ATOM 158 CA ASP A 14 -22.400 7.108 -9.039 1.00 75.12 C ATOM 159 C ASP A 14 -22.531 8.082 -10.205 1.00 43.55 C ATOM 160 O ASP A 14 -23.141 7.767 -11.227 1.00 41.23 O ATOM 161 CB ASP A 14 -23.232 7.598 -7.853 1.00 53.51 C ATOM 162 CG ASP A 14 -24.723 7.497 -8.110 1.00 40.11 C ATOM 163 OD1 ASP A 14 -25.144 7.731 -9.262 1.00 51.44 O ATOM 164 OD2 ASP A 14 -25.468 7.183 -7.159 1.00 74.41 O1- ATOM 0 H ASP A 14 -20.822 7.120 -7.659 1.00 4.51 H new ATOM 0 HA ASP A 14 -22.774 6.135 -9.358 1.00 75.12 H new ATOM 0 HB2 ASP A 14 -22.978 7.013 -6.969 1.00 53.51 H new ATOM 0 HB3 ASP A 14 -22.973 8.634 -7.635 1.00 53.51 H new ATOM 169 N LYS A 15 -21.954 9.269 -10.046 1.00 21.23 N ATOM 170 CA LYS A 15 -22.004 10.291 -11.084 1.00 74.24 C ATOM 171 C LYS A 15 -21.341 9.797 -12.366 1.00 51.12 C ATOM 172 O LYS A 15 -21.810 10.083 -13.468 1.00 65.31 O ATOM 173 CB LYS A 15 -21.318 11.571 -10.603 1.00 11.02 C ATOM 174 CG LYS A 15 -22.273 12.577 -9.983 1.00 62.14 C ATOM 175 CD LYS A 15 -21.527 13.651 -9.209 1.00 65.35 C ATOM 176 CE LYS A 15 -21.559 13.383 -7.713 1.00 24.34 C ATOM 177 NZ LYS A 15 -22.351 14.410 -6.982 1.00 53.11 N1+ ATOM 0 H LYS A 15 -21.446 9.547 -9.206 1.00 21.23 H new ATOM 0 HA LYS A 15 -23.051 10.506 -11.297 1.00 74.24 H new ATOM 0 HB2 LYS A 15 -20.553 11.310 -9.872 1.00 11.02 H new ATOM 0 HB3 LYS A 15 -20.808 12.038 -11.445 1.00 11.02 H new ATOM 0 HG2 LYS A 15 -22.872 13.042 -10.766 1.00 62.14 H new ATOM 0 HG3 LYS A 15 -22.964 12.061 -9.317 1.00 62.14 H new ATOM 0 HD2 LYS A 15 -20.493 13.694 -9.550 1.00 65.35 H new ATOM 0 HD3 LYS A 15 -21.972 14.625 -9.415 1.00 65.35 H new ATOM 0 HE2 LYS A 15 -21.986 12.397 -7.530 1.00 24.34 H new ATOM 0 HE3 LYS A 15 -20.540 13.366 -7.325 1.00 24.34 H new ATOM 0 HZ1 LYS A 15 -22.348 14.192 -5.965 1.00 53.11 H new ATOM 0 HZ2 LYS A 15 -21.929 15.348 -7.136 1.00 53.11 H new ATOM 0 HZ3 LYS A 15 -23.330 14.409 -7.334 1.00 53.11 H new ATOM 191 N TRP A 16 -20.251 9.055 -12.214 1.00 64.41 N ATOM 192 CA TRP A 16 -19.524 8.520 -13.360 1.00 72.04 C ATOM 193 C TRP A 16 -20.431 7.648 -14.221 1.00 55.13 C ATOM 194 O TRP A 16 -20.611 7.909 -15.410 1.00 41.23 O ATOM 195 CB TRP A 16 -18.314 7.711 -12.891 1.00 70.21 C ATOM 196 CG TRP A 16 -17.561 7.063 -14.014 1.00 33.35 C ATOM 197 CD1 TRP A 16 -17.649 5.760 -14.414 1.00 44.02 C ATOM 198 CD2 TRP A 16 -16.606 7.687 -14.878 1.00 2.33 C ATOM 199 NE1 TRP A 16 -16.805 5.537 -15.476 1.00 3.25 N ATOM 200 CE2 TRP A 16 -16.154 6.704 -15.780 1.00 35.25 C ATOM 201 CE3 TRP A 16 -16.089 8.982 -14.979 1.00 32.31 C ATOM 202 CZ2 TRP A 16 -15.211 6.976 -16.767 1.00 11.33 C ATOM 203 CZ3 TRP A 16 -15.153 9.250 -15.959 1.00 2.41 C ATOM 204 CH2 TRP A 16 -14.722 8.252 -16.843 1.00 11.12 C ATOM 0 H TRP A 16 -19.850 8.810 -11.309 1.00 64.41 H new ATOM 0 HA TRP A 16 -19.179 9.360 -13.963 1.00 72.04 H new ATOM 0 HB2 TRP A 16 -17.639 8.366 -12.341 1.00 70.21 H new ATOM 0 HB3 TRP A 16 -18.648 6.941 -12.195 1.00 70.21 H new ATOM 0 HD1 TRP A 16 -18.287 5.015 -13.963 1.00 44.02 H new ATOM 0 HE1 TRP A 16 -16.683 4.647 -15.959 1.00 3.25 H new ATOM 0 HE3 TRP A 16 -16.415 9.759 -14.303 1.00 32.31 H new ATOM 0 HZ2 TRP A 16 -14.877 6.208 -17.449 1.00 11.33 H new ATOM 0 HZ3 TRP A 16 -14.746 10.247 -16.045 1.00 2.41 H new ATOM 0 HH2 TRP A 16 -13.990 8.494 -17.599 1.00 11.12 H new ATOM 215 N GLU A 17 -21.001 6.612 -13.613 1.00 1.21 N ATOM 216 CA GLU A 17 -21.889 5.702 -14.326 1.00 53.22 C ATOM 217 C GLU A 17 -23.037 6.465 -14.981 1.00 75.32 C ATOM 218 O GLU A 17 -23.605 6.019 -15.979 1.00 10.12 O ATOM 219 CB GLU A 17 -22.445 4.643 -13.371 1.00 42.54 C ATOM 220 CG GLU A 17 -21.416 3.611 -12.942 1.00 70.14 C ATOM 221 CD GLU A 17 -22.048 2.383 -12.316 1.00 60.13 C ATOM 222 OE1 GLU A 17 -22.741 1.637 -13.040 1.00 1.44 O1- ATOM 223 OE2 GLU A 17 -21.849 2.168 -11.102 1.00 62.43 O ATOM 0 H GLU A 17 -20.863 6.382 -12.629 1.00 1.21 H new ATOM 0 HA GLU A 17 -21.311 5.208 -15.107 1.00 53.22 H new ATOM 0 HB2 GLU A 17 -22.842 5.138 -12.485 1.00 42.54 H new ATOM 0 HB3 GLU A 17 -23.279 4.133 -13.853 1.00 42.54 H new ATOM 0 HG2 GLU A 17 -20.826 3.310 -13.808 1.00 70.14 H new ATOM 0 HG3 GLU A 17 -20.728 4.064 -12.229 1.00 70.14 H new ATOM 230 N LYS A 18 -23.375 7.617 -14.412 1.00 51.15 N ATOM 231 CA LYS A 18 -24.454 8.444 -14.939 1.00 74.34 C ATOM 232 C LYS A 18 -24.015 9.169 -16.207 1.00 71.24 C ATOM 233 O LYS A 18 -24.684 9.095 -17.239 1.00 24.01 O ATOM 234 CB LYS A 18 -24.906 9.460 -13.888 1.00 43.22 C ATOM 235 CG LYS A 18 -26.375 9.345 -13.523 1.00 15.34 C ATOM 236 CD LYS A 18 -27.191 10.475 -14.129 1.00 1.02 C ATOM 237 CE LYS A 18 -28.381 10.836 -13.253 1.00 21.22 C ATOM 238 NZ LYS A 18 -28.881 12.209 -13.536 1.00 15.55 N1+ ATOM 0 H LYS A 18 -22.917 7.999 -13.585 1.00 51.15 H new ATOM 0 HA LYS A 18 -25.290 7.791 -15.187 1.00 74.34 H new ATOM 0 HB2 LYS A 18 -24.305 9.330 -12.988 1.00 43.22 H new ATOM 0 HB3 LYS A 18 -24.710 10.466 -14.260 1.00 43.22 H new ATOM 0 HG2 LYS A 18 -26.763 8.388 -13.871 1.00 15.34 H new ATOM 0 HG3 LYS A 18 -26.483 9.358 -12.438 1.00 15.34 H new ATOM 0 HD2 LYS A 18 -26.557 11.352 -14.263 1.00 1.02 H new ATOM 0 HD3 LYS A 18 -27.542 10.182 -15.118 1.00 1.02 H new ATOM 0 HE2 LYS A 18 -29.183 10.116 -13.416 1.00 21.22 H new ATOM 0 HE3 LYS A 18 -28.095 10.763 -12.204 1.00 21.22 H new ATOM 0 HZ1 LYS A 18 -29.692 12.417 -12.919 1.00 15.55 H new ATOM 0 HZ2 LYS A 18 -28.123 12.898 -13.356 1.00 15.55 H new ATOM 0 HZ3 LYS A 18 -29.178 12.272 -14.531 1.00 15.55 H new ATOM 252 N ILE A 19 -22.888 9.867 -16.124 1.00 2.23 N ATOM 253 CA ILE A 19 -22.359 10.603 -17.266 1.00 20.25 C ATOM 254 C ILE A 19 -22.259 9.709 -18.497 1.00 30.11 C ATOM 255 O ILE A 19 -21.936 8.525 -18.393 1.00 12.42 O ATOM 256 CB ILE A 19 -20.970 11.194 -16.960 1.00 60.10 C ATOM 257 CG1 ILE A 19 -21.044 12.127 -15.749 1.00 64.44 C ATOM 258 CG2 ILE A 19 -20.431 11.935 -18.174 1.00 61.15 C ATOM 259 CD1 ILE A 19 -19.917 11.924 -14.761 1.00 23.21 C ATOM 0 H ILE A 19 -22.323 9.939 -15.278 1.00 2.23 H new ATOM 0 HA ILE A 19 -23.055 11.417 -17.467 1.00 20.25 H new ATOM 0 HB ILE A 19 -20.288 10.377 -16.725 1.00 60.10 H new ATOM 0 HG12 ILE A 19 -21.031 13.160 -16.095 1.00 64.44 H new ATOM 0 HG13 ILE A 19 -21.995 11.973 -15.240 1.00 64.44 H new ATOM 0 HG21 ILE A 19 -19.449 12.347 -17.942 1.00 61.15 H new ATOM 0 HG22 ILE A 19 -20.346 11.245 -19.013 1.00 61.15 H new ATOM 0 HG23 ILE A 19 -21.111 12.745 -18.438 1.00 61.15 H new ATOM 0 HD11 ILE A 19 -20.033 12.618 -13.929 1.00 23.21 H new ATOM 0 HD12 ILE A 19 -19.942 10.901 -14.386 1.00 23.21 H new ATOM 0 HD13 ILE A 19 -18.963 12.106 -15.255 1.00 23.21 H new ATOM 271 N ARG A 20 -22.536 10.284 -19.663 1.00 35.44 N ATOM 272 CA ARG A 20 -22.477 9.539 -20.915 1.00 12.22 C ATOM 273 C ARG A 20 -21.253 9.944 -21.730 1.00 62.05 C ATOM 274 O ARG A 20 -20.720 11.042 -21.567 1.00 40.40 O ATOM 275 CB ARG A 20 -23.749 9.774 -21.733 1.00 25.43 C ATOM 276 CG ARG A 20 -25.013 9.286 -21.046 1.00 35.25 C ATOM 277 CD ARG A 20 -25.708 10.411 -20.294 1.00 73.41 C ATOM 278 NE ARG A 20 -26.817 10.977 -21.059 1.00 24.45 N ATOM 279 CZ ARG A 20 -27.694 11.836 -20.553 1.00 54.25 C ATOM 280 NH1 ARG A 20 -27.593 12.227 -19.291 1.00 32.04 N1+ ATOM 281 NH2 ARG A 20 -28.676 12.307 -21.312 1.00 43.14 N ATOM 0 H ARG A 20 -22.803 11.263 -19.767 1.00 35.44 H new ATOM 0 HA ARG A 20 -22.398 8.479 -20.675 1.00 12.22 H new ATOM 0 HB2 ARG A 20 -23.846 10.840 -21.940 1.00 25.43 H new ATOM 0 HB3 ARG A 20 -23.651 9.270 -22.695 1.00 25.43 H new ATOM 0 HG2 ARG A 20 -25.693 8.868 -21.788 1.00 35.25 H new ATOM 0 HG3 ARG A 20 -24.765 8.482 -20.353 1.00 35.25 H new ATOM 0 HD2 ARG A 20 -26.080 10.035 -19.341 1.00 73.41 H new ATOM 0 HD3 ARG A 20 -24.986 11.196 -20.067 1.00 73.41 H new ATOM 0 HE ARG A 20 -26.923 10.697 -22.034 1.00 24.45 H new ATOM 0 HH11 ARG A 20 -26.840 11.868 -18.705 1.00 32.04 H new ATOM 0 HH12 ARG A 20 -28.269 12.887 -18.906 1.00 32.04 H new ATOM 0 HH21 ARG A 20 -28.757 12.009 -22.284 1.00 43.14 H new ATOM 0 HH22 ARG A 20 -29.350 12.967 -20.923 1.00 43.14 H new ATOM 295 N LEU A 21 -20.811 9.050 -22.608 1.00 55.04 N ATOM 296 CA LEU A 21 -19.649 9.313 -23.450 1.00 13.31 C ATOM 297 C LEU A 21 -19.973 10.356 -24.515 1.00 74.44 C ATOM 298 O LEU A 21 -19.137 11.193 -24.854 1.00 24.15 O ATOM 299 CB LEU A 21 -19.172 8.020 -24.114 1.00 12.34 C ATOM 300 CG LEU A 21 -18.971 6.823 -23.184 1.00 2.23 C ATOM 301 CD1 LEU A 21 -19.439 5.541 -23.855 1.00 1.32 C ATOM 302 CD2 LEU A 21 -17.511 6.709 -22.770 1.00 62.33 C ATOM 0 H LEU A 21 -21.240 8.136 -22.755 1.00 55.04 H new ATOM 0 HA LEU A 21 -18.853 9.703 -22.816 1.00 13.31 H new ATOM 0 HB2 LEU A 21 -19.894 7.741 -24.881 1.00 12.34 H new ATOM 0 HB3 LEU A 21 -18.229 8.222 -24.622 1.00 12.34 H new ATOM 0 HG LEU A 21 -19.571 6.979 -22.287 1.00 2.23 H new ATOM 0 HD11 LEU A 21 -19.288 4.700 -23.178 1.00 1.32 H new ATOM 0 HD12 LEU A 21 -20.498 5.624 -24.100 1.00 1.32 H new ATOM 0 HD13 LEU A 21 -18.867 5.379 -24.768 1.00 1.32 H new ATOM 0 HD21 LEU A 21 -17.386 5.852 -22.108 1.00 62.33 H new ATOM 0 HD22 LEU A 21 -16.891 6.576 -23.656 1.00 62.33 H new ATOM 0 HD23 LEU A 21 -17.209 7.617 -22.248 1.00 62.33 H new ATOM 314 N ARG A 22 -21.194 10.299 -25.039 1.00 4.41 N ATOM 315 CA ARG A 22 -21.629 11.239 -26.065 1.00 43.11 C ATOM 316 C ARG A 22 -22.985 11.842 -25.711 1.00 30.33 C ATOM 317 O ARG A 22 -23.744 11.296 -24.910 1.00 74.51 O ATOM 318 CB ARG A 22 -21.708 10.542 -27.425 1.00 1.14 C ATOM 319 CG ARG A 22 -20.573 10.911 -28.365 1.00 42.45 C ATOM 320 CD ARG A 22 -21.035 10.935 -29.814 1.00 12.21 C ATOM 321 NE ARG A 22 -20.281 10.000 -30.645 1.00 12.14 N ATOM 322 CZ ARG A 22 -19.060 10.247 -31.106 1.00 74.13 C ATOM 323 NH1 ARG A 22 -18.459 11.393 -30.819 1.00 44.04 N1+ ATOM 324 NH2 ARG A 22 -18.439 9.346 -31.856 1.00 63.03 N ATOM 0 H ARG A 22 -21.898 9.612 -24.770 1.00 4.41 H new ATOM 0 HA ARG A 22 -20.896 12.044 -26.119 1.00 43.11 H new ATOM 0 HB2 ARG A 22 -21.705 9.463 -27.271 1.00 1.14 H new ATOM 0 HB3 ARG A 22 -22.657 10.794 -27.898 1.00 1.14 H new ATOM 0 HG2 ARG A 22 -20.177 11.889 -28.092 1.00 42.45 H new ATOM 0 HG3 ARG A 22 -19.759 10.195 -28.253 1.00 42.45 H new ATOM 0 HD2 ARG A 22 -22.095 10.687 -29.860 1.00 12.21 H new ATOM 0 HD3 ARG A 22 -20.926 11.944 -30.213 1.00 12.21 H new ATOM 0 HE ARG A 22 -20.716 9.109 -30.884 1.00 12.14 H new ATOM 0 HH11 ARG A 22 -18.934 12.088 -30.243 1.00 44.04 H new ATOM 0 HH12 ARG A 22 -17.521 11.580 -31.174 1.00 44.04 H new ATOM 0 HH21 ARG A 22 -18.899 8.463 -32.079 1.00 63.03 H new ATOM 0 HH22 ARG A 22 -17.501 9.536 -32.210 1.00 63.03 H new ATOM 338 N PRO A 23 -23.298 12.995 -26.320 1.00 2.13 N ATOM 339 CA PRO A 23 -24.563 13.697 -26.084 1.00 70.12 C ATOM 340 C PRO A 23 -25.757 12.951 -26.669 1.00 74.21 C ATOM 341 O PRO A 23 -26.824 12.892 -26.059 1.00 71.30 O ATOM 342 CB PRO A 23 -24.365 15.035 -26.801 1.00 32.11 C ATOM 343 CG PRO A 23 -23.352 14.753 -27.857 1.00 14.15 C ATOM 344 CD PRO A 23 -22.440 13.703 -27.286 1.00 35.35 C ATOM 0 HA PRO A 23 -24.782 13.796 -25.021 1.00 70.12 H new ATOM 0 HB2 PRO A 23 -25.299 15.394 -27.234 1.00 32.11 H new ATOM 0 HB3 PRO A 23 -24.016 15.805 -26.113 1.00 32.11 H new ATOM 0 HG2 PRO A 23 -23.829 14.400 -28.771 1.00 14.15 H new ATOM 0 HG3 PRO A 23 -22.796 15.654 -28.115 1.00 14.15 H new ATOM 0 HD2 PRO A 23 -22.066 13.032 -28.059 1.00 35.35 H new ATOM 0 HD3 PRO A 23 -21.570 14.147 -26.801 1.00 35.35 H new ATOM 352 N GLY A 24 -25.570 12.381 -27.856 1.00 55.51 N ATOM 353 CA GLY A 24 -26.641 11.646 -28.503 1.00 54.30 C ATOM 354 C GLY A 24 -26.353 10.161 -28.592 1.00 73.23 C ATOM 355 O GLY A 24 -26.592 9.536 -29.625 1.00 32.12 O ATOM 0 H GLY A 24 -24.696 12.415 -28.381 1.00 55.51 H new ATOM 0 HA2 GLY A 24 -27.568 11.801 -27.952 1.00 54.30 H new ATOM 0 HA3 GLY A 24 -26.796 12.044 -29.506 1.00 54.30 H new ATOM 359 N GLY A 25 -25.836 9.593 -27.507 1.00 12.34 N ATOM 360 CA GLY A 25 -25.522 8.177 -27.488 1.00 62.43 C ATOM 361 C GLY A 25 -26.553 7.364 -26.731 1.00 21.30 C ATOM 362 O GLY A 25 -27.524 7.910 -26.208 1.00 52.50 O ATOM 0 H GLY A 25 -25.629 10.089 -26.640 1.00 12.34 H new ATOM 0 HA2 GLY A 25 -25.455 7.809 -28.512 1.00 62.43 H new ATOM 0 HA3 GLY A 25 -24.543 8.031 -27.032 1.00 62.43 H new ATOM 366 N LYS A 26 -26.344 6.053 -26.672 1.00 62.24 N ATOM 367 CA LYS A 26 -27.262 5.161 -25.974 1.00 54.42 C ATOM 368 C LYS A 26 -26.526 4.336 -24.924 1.00 73.40 C ATOM 369 O LYS A 26 -26.957 3.238 -24.568 1.00 41.40 O ATOM 370 CB LYS A 26 -27.961 4.233 -26.970 1.00 51.34 C ATOM 371 CG LYS A 26 -29.062 4.913 -27.766 1.00 13.04 C ATOM 372 CD LYS A 26 -29.154 4.359 -29.178 1.00 22.05 C ATOM 373 CE LYS A 26 -30.447 4.779 -29.859 1.00 13.55 C ATOM 374 NZ LYS A 26 -31.597 3.932 -29.436 1.00 51.45 N1+ ATOM 0 H LYS A 26 -25.546 5.584 -27.100 1.00 62.24 H new ATOM 0 HA LYS A 26 -28.011 5.773 -25.470 1.00 54.42 H new ATOM 0 HB2 LYS A 26 -27.220 3.831 -27.661 1.00 51.34 H new ATOM 0 HB3 LYS A 26 -28.385 3.387 -26.429 1.00 51.34 H new ATOM 0 HG2 LYS A 26 -30.017 4.777 -27.258 1.00 13.04 H new ATOM 0 HG3 LYS A 26 -28.873 5.986 -27.807 1.00 13.04 H new ATOM 0 HD2 LYS A 26 -28.303 4.709 -29.763 1.00 22.05 H new ATOM 0 HD3 LYS A 26 -29.094 3.271 -29.148 1.00 22.05 H new ATOM 0 HE2 LYS A 26 -30.659 5.822 -29.625 1.00 13.55 H new ATOM 0 HE3 LYS A 26 -30.326 4.713 -30.940 1.00 13.55 H new ATOM 0 HZ1 LYS A 26 -32.460 4.250 -29.922 1.00 51.45 H new ATOM 0 HZ2 LYS A 26 -31.406 2.940 -29.682 1.00 51.45 H new ATOM 0 HZ3 LYS A 26 -31.729 4.014 -28.408 1.00 51.45 H new ATOM 388 N LYS A 27 -25.415 4.870 -24.430 1.00 43.11 N ATOM 389 CA LYS A 27 -24.620 4.185 -23.418 1.00 65.42 C ATOM 390 C LYS A 27 -23.952 5.186 -22.481 1.00 23.51 C ATOM 391 O LYS A 27 -23.510 6.251 -22.910 1.00 25.20 O ATOM 392 CB LYS A 27 -23.558 3.306 -24.083 1.00 62.25 C ATOM 393 CG LYS A 27 -23.591 1.859 -23.624 1.00 20.51 C ATOM 394 CD LYS A 27 -24.875 1.167 -24.052 1.00 25.13 C ATOM 395 CE LYS A 27 -24.814 -0.330 -23.791 1.00 73.44 C ATOM 396 NZ LYS A 27 -23.737 -0.988 -24.582 1.00 1.13 N1+ ATOM 0 H LYS A 27 -25.044 5.777 -24.714 1.00 43.11 H new ATOM 0 HA LYS A 27 -25.289 3.555 -22.831 1.00 65.42 H new ATOM 0 HB2 LYS A 27 -23.696 3.339 -25.164 1.00 62.25 H new ATOM 0 HB3 LYS A 27 -22.572 3.722 -23.875 1.00 62.25 H new ATOM 0 HG2 LYS A 27 -22.734 1.326 -24.037 1.00 20.51 H new ATOM 0 HG3 LYS A 27 -23.499 1.818 -22.539 1.00 20.51 H new ATOM 0 HD2 LYS A 27 -25.719 1.597 -23.513 1.00 25.13 H new ATOM 0 HD3 LYS A 27 -25.050 1.346 -25.113 1.00 25.13 H new ATOM 0 HE2 LYS A 27 -24.644 -0.507 -22.729 1.00 73.44 H new ATOM 0 HE3 LYS A 27 -25.775 -0.781 -24.040 1.00 73.44 H new ATOM 0 HZ1 LYS A 27 -23.939 -2.005 -24.665 1.00 1.13 H new ATOM 0 HZ2 LYS A 27 -23.695 -0.565 -25.531 1.00 1.13 H new ATOM 0 HZ3 LYS A 27 -22.824 -0.854 -24.103 1.00 1.13 H new ATOM 410 N GLN A 28 -23.881 4.835 -21.201 1.00 32.32 N ATOM 411 CA GLN A 28 -23.266 5.703 -20.204 1.00 51.20 C ATOM 412 C GLN A 28 -21.799 5.341 -19.997 1.00 72.23 C ATOM 413 O GLN A 28 -21.238 4.535 -20.740 1.00 20.44 O ATOM 414 CB GLN A 28 -24.020 5.605 -18.877 1.00 1.04 C ATOM 415 CG GLN A 28 -25.531 5.664 -19.029 1.00 73.45 C ATOM 416 CD GLN A 28 -26.253 5.679 -17.696 1.00 45.22 C ATOM 417 OE1 GLN A 28 -26.472 4.634 -17.084 1.00 31.22 O ATOM 418 NE2 GLN A 28 -26.626 6.869 -17.238 1.00 65.45 N ATOM 0 H GLN A 28 -24.242 3.956 -20.830 1.00 32.32 H new ATOM 0 HA GLN A 28 -23.320 6.729 -20.569 1.00 51.20 H new ATOM 0 HB2 GLN A 28 -23.749 4.672 -18.383 1.00 1.04 H new ATOM 0 HB3 GLN A 28 -23.697 6.416 -18.225 1.00 1.04 H new ATOM 0 HG2 GLN A 28 -25.801 6.556 -19.594 1.00 73.45 H new ATOM 0 HG3 GLN A 28 -25.867 4.805 -19.610 1.00 73.45 H new ATOM 0 HE21 GLN A 28 -26.424 7.710 -17.779 1.00 65.45 H new ATOM 0 HE22 GLN A 28 -27.115 6.942 -16.346 1.00 65.45 H new ATOM 427 N TYR A 29 -21.184 5.942 -18.985 1.00 63.40 N ATOM 428 CA TYR A 29 -19.781 5.684 -18.682 1.00 42.34 C ATOM 429 C TYR A 29 -19.633 4.458 -17.788 1.00 24.54 C ATOM 430 O TYR A 29 -20.508 4.156 -16.977 1.00 35.14 O ATOM 431 CB TYR A 29 -19.152 6.903 -18.005 1.00 22.34 C ATOM 432 CG TYR A 29 -18.357 7.777 -18.948 1.00 11.32 C ATOM 433 CD1 TYR A 29 -17.071 7.423 -19.338 1.00 12.25 C ATOM 434 CD2 TYR A 29 -18.891 8.958 -19.449 1.00 14.05 C ATOM 435 CE1 TYR A 29 -16.341 8.219 -20.199 1.00 10.44 C ATOM 436 CE2 TYR A 29 -18.169 9.760 -20.311 1.00 72.42 C ATOM 437 CZ TYR A 29 -16.894 9.386 -20.683 1.00 55.20 C ATOM 438 OH TYR A 29 -16.171 10.183 -21.541 1.00 32.30 O ATOM 0 H TYR A 29 -21.634 6.611 -18.361 1.00 63.40 H new ATOM 0 HA TYR A 29 -19.262 5.490 -19.621 1.00 42.34 H new ATOM 0 HB2 TYR A 29 -19.940 7.501 -17.547 1.00 22.34 H new ATOM 0 HB3 TYR A 29 -18.500 6.565 -17.200 1.00 22.34 H new ATOM 0 HD1 TYR A 29 -16.635 6.510 -18.961 1.00 12.25 H new ATOM 0 HD2 TYR A 29 -19.888 9.254 -19.159 1.00 14.05 H new ATOM 0 HE1 TYR A 29 -15.343 7.929 -20.492 1.00 10.44 H new ATOM 0 HE2 TYR A 29 -18.600 10.674 -20.692 1.00 72.42 H new ATOM 0 HH TYR A 29 -16.768 10.837 -21.961 1.00 32.30 H new ATOM 448 N LYS A 30 -18.516 3.753 -17.941 1.00 15.13 N ATOM 449 CA LYS A 30 -18.249 2.560 -17.147 1.00 34.42 C ATOM 450 C LYS A 30 -16.757 2.415 -16.867 1.00 41.11 C ATOM 451 O LYS A 30 -15.929 3.066 -17.506 1.00 71.12 O ATOM 452 CB LYS A 30 -18.766 1.314 -17.871 1.00 14.34 C ATOM 453 CG LYS A 30 -19.572 0.384 -16.980 1.00 60.15 C ATOM 454 CD LYS A 30 -20.150 -0.780 -17.768 1.00 41.23 C ATOM 455 CE LYS A 30 -19.387 -2.068 -17.500 1.00 31.01 C ATOM 456 NZ LYS A 30 -18.086 -2.103 -18.223 1.00 62.01 N1+ ATOM 0 H LYS A 30 -17.781 3.988 -18.608 1.00 15.13 H new ATOM 0 HA LYS A 30 -18.771 2.663 -16.196 1.00 34.42 H new ATOM 0 HB2 LYS A 30 -19.385 1.624 -18.713 1.00 14.34 H new ATOM 0 HB3 LYS A 30 -17.919 0.765 -18.283 1.00 14.34 H new ATOM 0 HG2 LYS A 30 -18.937 0.003 -16.180 1.00 60.15 H new ATOM 0 HG3 LYS A 30 -20.380 0.942 -16.507 1.00 60.15 H new ATOM 0 HD2 LYS A 30 -21.199 -0.915 -17.503 1.00 41.23 H new ATOM 0 HD3 LYS A 30 -20.117 -0.551 -18.833 1.00 41.23 H new ATOM 0 HE2 LYS A 30 -19.210 -2.169 -16.429 1.00 31.01 H new ATOM 0 HE3 LYS A 30 -19.995 -2.920 -17.805 1.00 31.01 H new ATOM 0 HZ1 LYS A 30 -17.612 -3.011 -18.041 1.00 62.01 H new ATOM 0 HZ2 LYS A 30 -18.253 -1.998 -19.244 1.00 62.01 H new ATOM 0 HZ3 LYS A 30 -17.482 -1.325 -17.889 1.00 62.01 H new ATOM 470 N LEU A 31 -16.419 1.558 -15.910 1.00 74.20 N ATOM 471 CA LEU A 31 -15.026 1.326 -15.547 1.00 4.42 C ATOM 472 C LEU A 31 -14.191 0.987 -16.778 1.00 12.23 C ATOM 473 O LEU A 31 -12.997 1.281 -16.832 1.00 42.11 O ATOM 474 CB LEU A 31 -14.926 0.195 -14.522 1.00 13.33 C ATOM 475 CG LEU A 31 -14.817 0.624 -13.058 1.00 34.21 C ATOM 476 CD1 LEU A 31 -13.505 1.352 -12.811 1.00 72.20 C ATOM 477 CD2 LEU A 31 -15.998 1.502 -12.670 1.00 40.11 C ATOM 0 H LEU A 31 -17.091 1.012 -15.371 1.00 74.20 H new ATOM 0 HA LEU A 31 -14.635 2.243 -15.106 1.00 4.42 H new ATOM 0 HB2 LEU A 31 -15.803 -0.443 -14.628 1.00 13.33 H new ATOM 0 HB3 LEU A 31 -14.056 -0.415 -14.767 1.00 13.33 H new ATOM 0 HG LEU A 31 -14.835 -0.270 -12.435 1.00 34.21 H new ATOM 0 HD11 LEU A 31 -13.445 1.649 -11.764 1.00 72.20 H new ATOM 0 HD12 LEU A 31 -12.672 0.691 -13.048 1.00 72.20 H new ATOM 0 HD13 LEU A 31 -13.456 2.238 -13.443 1.00 72.20 H new ATOM 0 HD21 LEU A 31 -15.904 1.798 -11.625 1.00 40.11 H new ATOM 0 HD22 LEU A 31 -16.012 2.392 -13.299 1.00 40.11 H new ATOM 0 HD23 LEU A 31 -16.925 0.946 -12.807 1.00 40.11 H new ATOM 489 N LYS A 32 -14.828 0.368 -17.766 1.00 15.41 N ATOM 490 CA LYS A 32 -14.147 -0.008 -18.999 1.00 32.22 C ATOM 491 C LYS A 32 -13.410 1.185 -19.600 1.00 35.34 C ATOM 492 O LYS A 32 -12.362 1.028 -20.226 1.00 2.11 O ATOM 493 CB LYS A 32 -15.151 -0.564 -20.011 1.00 53.33 C ATOM 494 CG LYS A 32 -14.837 -1.978 -20.466 1.00 33.50 C ATOM 495 CD LYS A 32 -15.726 -2.402 -21.624 1.00 24.45 C ATOM 496 CE LYS A 32 -14.997 -2.295 -22.954 1.00 45.01 C ATOM 497 NZ LYS A 32 -15.249 -0.988 -23.621 1.00 11.30 N1+ ATOM 0 H LYS A 32 -15.816 0.116 -17.737 1.00 15.41 H new ATOM 0 HA LYS A 32 -13.416 -0.780 -18.760 1.00 32.22 H new ATOM 0 HB2 LYS A 32 -16.147 -0.547 -19.569 1.00 53.33 H new ATOM 0 HB3 LYS A 32 -15.177 0.091 -20.882 1.00 53.33 H new ATOM 0 HG2 LYS A 32 -13.791 -2.040 -20.767 1.00 33.50 H new ATOM 0 HG3 LYS A 32 -14.970 -2.667 -19.632 1.00 33.50 H new ATOM 0 HD2 LYS A 32 -16.059 -3.429 -21.472 1.00 24.45 H new ATOM 0 HD3 LYS A 32 -16.619 -1.778 -21.646 1.00 24.45 H new ATOM 0 HE2 LYS A 32 -13.926 -2.420 -22.792 1.00 45.01 H new ATOM 0 HE3 LYS A 32 -15.317 -3.105 -23.610 1.00 45.01 H new ATOM 0 HZ1 LYS A 32 -15.584 -1.153 -24.592 1.00 11.30 H new ATOM 0 HZ2 LYS A 32 -15.971 -0.461 -23.090 1.00 11.30 H new ATOM 0 HZ3 LYS A 32 -14.368 -0.436 -23.648 1.00 11.30 H new ATOM 511 N HIS A 33 -13.965 2.377 -19.404 1.00 20.22 N ATOM 512 CA HIS A 33 -13.359 3.598 -19.925 1.00 31.33 C ATOM 513 C HIS A 33 -12.255 4.094 -18.995 1.00 51.24 C ATOM 514 O HIS A 33 -11.303 4.680 -19.512 1.00 24.54 O ATOM 515 CB HIS A 33 -14.420 4.685 -20.101 1.00 32.55 C ATOM 516 CG HIS A 33 -15.648 4.212 -20.817 1.00 40.01 C ATOM 517 ND1 HIS A 33 -16.924 4.412 -20.335 1.00 73.15 N ATOM 518 CD2 HIS A 33 -15.789 3.546 -21.987 1.00 13.11 C ATOM 519 CE1 HIS A 33 -17.797 3.889 -21.178 1.00 32.52 C ATOM 520 NE2 HIS A 33 -17.134 3.358 -22.189 1.00 64.51 N ATOM 0 H HIS A 33 -14.833 2.524 -18.889 1.00 20.22 H new ATOM 0 HA HIS A 33 -12.919 3.371 -20.896 1.00 31.33 H new ATOM 0 HB2 HIS A 33 -14.705 5.065 -19.120 1.00 32.55 H new ATOM 0 HB3 HIS A 33 -13.986 5.519 -20.653 1.00 32.55 H new ATOM 0 HD2 HIS A 33 -14.992 3.223 -22.640 1.00 13.11 H new ATOM 0 HE1 HIS A 33 -18.871 3.895 -21.060 1.00 32.52 H new ATOM 0 HE2 HIS A 33 -17.553 2.885 -22.990 1.00 64.51 H new ATOM 528 N ILE A 34 -12.353 3.885 -17.687 1.00 73.31 N ATOM 529 CA ILE A 34 -11.323 4.340 -16.762 1.00 33.14 C ATOM 530 C ILE A 34 -10.062 3.491 -16.881 1.00 74.43 C ATOM 531 O ILE A 34 -8.946 4.000 -16.782 1.00 30.10 O ATOM 532 CB ILE A 34 -11.819 4.300 -15.304 1.00 2.41 C ATOM 533 CG1 ILE A 34 -13.122 5.090 -15.164 1.00 4.44 C ATOM 534 CG2 ILE A 34 -10.755 4.853 -14.368 1.00 24.24 C ATOM 535 CD1 ILE A 34 -13.796 4.910 -13.822 1.00 0.34 C ATOM 0 H ILE A 34 -13.135 3.403 -17.244 1.00 73.31 H new ATOM 0 HA ILE A 34 -11.091 5.370 -17.031 1.00 33.14 H new ATOM 0 HB ILE A 34 -12.013 3.263 -15.030 1.00 2.41 H new ATOM 0 HG12 ILE A 34 -12.914 6.149 -15.318 1.00 4.44 H new ATOM 0 HG13 ILE A 34 -13.810 4.783 -15.951 1.00 4.44 H new ATOM 0 HG21 ILE A 34 -11.120 4.818 -13.341 1.00 24.24 H new ATOM 0 HG22 ILE A 34 -9.849 4.253 -14.452 1.00 24.24 H new ATOM 0 HG23 ILE A 34 -10.533 5.885 -14.639 1.00 24.24 H new ATOM 0 HD11 ILE A 34 -14.713 5.499 -13.794 1.00 0.34 H new ATOM 0 HD12 ILE A 34 -14.036 3.857 -13.674 1.00 0.34 H new ATOM 0 HD13 ILE A 34 -13.126 5.244 -13.030 1.00 0.34 H new ATOM 547 N VAL A 35 -10.248 2.192 -17.097 1.00 53.22 N ATOM 548 CA VAL A 35 -9.126 1.272 -17.234 1.00 31.52 C ATOM 549 C VAL A 35 -8.489 1.383 -18.614 1.00 72.55 C ATOM 550 O VAL A 35 -7.267 1.459 -18.741 1.00 11.31 O ATOM 551 CB VAL A 35 -9.564 -0.186 -16.998 1.00 71.23 C ATOM 552 CG1 VAL A 35 -8.384 -1.132 -17.163 1.00 51.21 C ATOM 553 CG2 VAL A 35 -10.191 -0.338 -15.620 1.00 41.35 C ATOM 0 H VAL A 35 -11.165 1.754 -17.181 1.00 53.22 H new ATOM 0 HA VAL A 35 -8.394 1.551 -16.476 1.00 31.52 H new ATOM 0 HB VAL A 35 -10.315 -0.446 -17.744 1.00 71.23 H new ATOM 0 HG11 VAL A 35 -8.713 -2.157 -16.992 1.00 51.21 H new ATOM 0 HG12 VAL A 35 -7.984 -1.042 -18.173 1.00 51.21 H new ATOM 0 HG13 VAL A 35 -7.608 -0.875 -16.442 1.00 51.21 H new ATOM 0 HG21 VAL A 35 -10.494 -1.374 -15.471 1.00 41.35 H new ATOM 0 HG22 VAL A 35 -9.464 -0.059 -14.857 1.00 41.35 H new ATOM 0 HG23 VAL A 35 -11.064 0.310 -15.544 1.00 41.35 H new ATOM 563 N TRP A 36 -9.325 1.391 -19.646 1.00 72.03 N ATOM 564 CA TRP A 36 -8.843 1.493 -21.019 1.00 55.22 C ATOM 565 C TRP A 36 -7.903 2.682 -21.179 1.00 2.52 C ATOM 566 O TRP A 36 -6.884 2.592 -21.863 1.00 24.25 O ATOM 567 CB TRP A 36 -10.021 1.625 -21.986 1.00 52.41 C ATOM 568 CG TRP A 36 -9.601 1.866 -23.405 1.00 11.25 C ATOM 569 CD1 TRP A 36 -9.192 0.928 -24.309 1.00 32.13 C ATOM 570 CD2 TRP A 36 -9.547 3.127 -24.080 1.00 11.41 C ATOM 571 NE1 TRP A 36 -8.887 1.530 -25.506 1.00 33.04 N ATOM 572 CE2 TRP A 36 -9.097 2.879 -25.391 1.00 75.35 C ATOM 573 CE3 TRP A 36 -9.837 4.442 -23.705 1.00 43.23 C ATOM 574 CZ2 TRP A 36 -8.930 3.897 -26.326 1.00 75.24 C ATOM 575 CZ3 TRP A 36 -9.670 5.452 -24.634 1.00 72.52 C ATOM 576 CH2 TRP A 36 -9.221 5.175 -25.932 1.00 73.44 C ATOM 0 H TRP A 36 -10.339 1.328 -19.558 1.00 72.03 H new ATOM 0 HA TRP A 36 -8.290 0.583 -21.252 1.00 55.22 H new ATOM 0 HB2 TRP A 36 -10.622 0.716 -21.942 1.00 52.41 H new ATOM 0 HB3 TRP A 36 -10.660 2.446 -21.659 1.00 52.41 H new ATOM 0 HD1 TRP A 36 -9.119 -0.131 -24.112 1.00 32.13 H new ATOM 0 HE1 TRP A 36 -8.558 1.051 -26.344 1.00 33.04 H new ATOM 0 HE3 TRP A 36 -10.185 4.665 -22.707 1.00 43.23 H new ATOM 0 HZ2 TRP A 36 -8.583 3.686 -27.327 1.00 75.24 H new ATOM 0 HZ3 TRP A 36 -9.889 6.472 -24.355 1.00 72.52 H new ATOM 0 HH2 TRP A 36 -9.102 5.986 -26.635 1.00 73.44 H new ATOM 587 N ALA A 37 -8.251 3.797 -20.544 1.00 32.44 N ATOM 588 CA ALA A 37 -7.436 5.003 -20.614 1.00 30.10 C ATOM 589 C ALA A 37 -6.189 4.874 -19.745 1.00 53.33 C ATOM 590 O ALA A 37 -5.177 5.529 -19.995 1.00 60.41 O ATOM 591 CB ALA A 37 -8.252 6.216 -20.193 1.00 42.45 C ATOM 0 H ALA A 37 -9.093 3.889 -19.975 1.00 32.44 H new ATOM 0 HA ALA A 37 -7.115 5.136 -21.647 1.00 30.10 H new ATOM 0 HB1 ALA A 37 -7.631 7.110 -20.250 1.00 42.45 H new ATOM 0 HB2 ALA A 37 -9.109 6.327 -20.858 1.00 42.45 H new ATOM 0 HB3 ALA A 37 -8.602 6.082 -19.169 1.00 42.45 H new ATOM 597 N SER A 38 -6.270 4.028 -18.724 1.00 30.41 N ATOM 598 CA SER A 38 -5.149 3.817 -17.815 1.00 72.13 C ATOM 599 C SER A 38 -4.012 3.080 -18.517 1.00 33.13 C ATOM 600 O SER A 38 -2.841 3.419 -18.348 1.00 61.02 O ATOM 601 CB SER A 38 -5.603 3.027 -16.586 1.00 70.55 C ATOM 602 OG SER A 38 -4.608 2.105 -16.177 1.00 23.22 O ATOM 0 H SER A 38 -7.100 3.477 -18.505 1.00 30.41 H new ATOM 0 HA SER A 38 -4.783 4.793 -17.495 1.00 72.13 H new ATOM 0 HB2 SER A 38 -5.824 3.714 -15.769 1.00 70.55 H new ATOM 0 HB3 SER A 38 -6.526 2.494 -16.813 1.00 70.55 H new ATOM 0 HG SER A 38 -4.921 1.614 -15.389 1.00 23.22 H new ATOM 608 N ARG A 39 -4.367 2.070 -19.304 1.00 33.42 N ATOM 609 CA ARG A 39 -3.378 1.283 -20.030 1.00 60.04 C ATOM 610 C ARG A 39 -2.826 2.066 -21.218 1.00 54.12 C ATOM 611 O ARG A 39 -1.703 1.831 -21.660 1.00 65.34 O ATOM 612 CB ARG A 39 -3.995 -0.031 -20.514 1.00 41.31 C ATOM 613 CG ARG A 39 -3.633 -1.228 -19.651 1.00 23.02 C ATOM 614 CD ARG A 39 -3.683 -2.523 -20.446 1.00 22.54 C ATOM 615 NE ARG A 39 -2.350 -2.983 -20.827 1.00 72.33 N ATOM 616 CZ ARG A 39 -2.124 -3.846 -21.812 1.00 55.42 C ATOM 617 NH1 ARG A 39 -3.137 -4.339 -22.511 1.00 54.21 N1+ ATOM 618 NH2 ARG A 39 -0.883 -4.216 -22.100 1.00 12.01 N ATOM 0 H ARG A 39 -5.332 1.777 -19.455 1.00 33.42 H new ATOM 0 HA ARG A 39 -2.556 1.061 -19.349 1.00 60.04 H new ATOM 0 HB2 ARG A 39 -5.080 0.074 -20.538 1.00 41.31 H new ATOM 0 HB3 ARG A 39 -3.670 -0.220 -21.537 1.00 41.31 H new ATOM 0 HG2 ARG A 39 -2.633 -1.091 -19.238 1.00 23.02 H new ATOM 0 HG3 ARG A 39 -4.320 -1.291 -18.807 1.00 23.02 H new ATOM 0 HD2 ARG A 39 -4.177 -3.293 -19.854 1.00 22.54 H new ATOM 0 HD3 ARG A 39 -4.285 -2.375 -21.342 1.00 22.54 H new ATOM 0 HE ARG A 39 -1.549 -2.622 -20.309 1.00 72.33 H new ATOM 0 HH11 ARG A 39 -4.092 -4.056 -22.293 1.00 54.21 H new ATOM 0 HH12 ARG A 39 -2.961 -5.001 -23.267 1.00 54.21 H new ATOM 0 HH21 ARG A 39 -0.101 -3.838 -21.565 1.00 12.01 H new ATOM 0 HH22 ARG A 39 -0.711 -4.878 -22.856 1.00 12.01 H new ATOM 632 N GLU A 40 -3.626 2.997 -21.729 1.00 42.23 N ATOM 633 CA GLU A 40 -3.217 3.813 -22.866 1.00 53.35 C ATOM 634 C GLU A 40 -2.352 4.985 -22.412 1.00 53.51 C ATOM 635 O GLU A 40 -1.535 5.501 -23.176 1.00 0.53 O ATOM 636 CB GLU A 40 -4.445 4.332 -23.617 1.00 53.54 C ATOM 637 CG GLU A 40 -4.174 4.659 -25.076 1.00 63.23 C ATOM 638 CD GLU A 40 -4.127 3.422 -25.952 1.00 24.42 C ATOM 639 OE1 GLU A 40 -3.350 2.497 -25.633 1.00 10.43 O1- ATOM 640 OE2 GLU A 40 -4.867 3.378 -26.957 1.00 13.25 O ATOM 0 H GLU A 40 -4.559 3.204 -21.374 1.00 42.23 H new ATOM 0 HA GLU A 40 -2.627 3.187 -23.536 1.00 53.35 H new ATOM 0 HB2 GLU A 40 -5.237 3.585 -23.562 1.00 53.54 H new ATOM 0 HB3 GLU A 40 -4.816 5.226 -23.116 1.00 53.54 H new ATOM 0 HG2 GLU A 40 -4.949 5.331 -25.444 1.00 63.23 H new ATOM 0 HG3 GLU A 40 -3.226 5.192 -25.155 1.00 63.23 H new ATOM 647 N LEU A 41 -2.538 5.401 -21.164 1.00 54.53 N ATOM 648 CA LEU A 41 -1.776 6.513 -20.607 1.00 11.33 C ATOM 649 C LEU A 41 -0.320 6.118 -20.385 1.00 22.25 C ATOM 650 O LEU A 41 0.596 6.821 -20.810 1.00 13.41 O ATOM 651 CB LEU A 41 -2.399 6.973 -19.287 1.00 45.23 C ATOM 652 CG LEU A 41 -3.362 8.158 -19.376 1.00 65.33 C ATOM 653 CD1 LEU A 41 -3.950 8.471 -18.010 1.00 32.04 C ATOM 654 CD2 LEU A 41 -2.654 9.378 -19.947 1.00 53.30 C ATOM 0 H LEU A 41 -3.210 4.985 -20.519 1.00 54.53 H new ATOM 0 HA LEU A 41 -1.805 7.336 -21.322 1.00 11.33 H new ATOM 0 HB2 LEU A 41 -2.932 6.130 -18.847 1.00 45.23 H new ATOM 0 HB3 LEU A 41 -1.594 7.235 -18.600 1.00 45.23 H new ATOM 0 HG LEU A 41 -4.178 7.889 -20.047 1.00 65.33 H new ATOM 0 HD11 LEU A 41 -4.633 9.317 -18.093 1.00 32.04 H new ATOM 0 HD12 LEU A 41 -4.493 7.601 -17.640 1.00 32.04 H new ATOM 0 HD13 LEU A 41 -3.147 8.720 -17.316 1.00 32.04 H new ATOM 0 HD21 LEU A 41 -3.354 10.212 -20.003 1.00 53.30 H new ATOM 0 HD22 LEU A 41 -1.818 9.649 -19.302 1.00 53.30 H new ATOM 0 HD23 LEU A 41 -2.282 9.149 -20.946 1.00 53.30 H new ATOM 666 N GLU A 42 -0.114 4.986 -19.717 1.00 52.44 N ATOM 667 CA GLU A 42 1.231 4.497 -19.441 1.00 3.33 C ATOM 668 C GLU A 42 2.036 4.359 -20.730 1.00 32.01 C ATOM 669 O GLU A 42 3.265 4.433 -20.718 1.00 54.32 O ATOM 670 CB GLU A 42 1.170 3.150 -18.718 1.00 74.01 C ATOM 671 CG GLU A 42 2.526 2.486 -18.552 1.00 71.52 C ATOM 672 CD GLU A 42 2.431 1.121 -17.898 1.00 71.32 C ATOM 673 OE1 GLU A 42 1.677 0.268 -18.413 1.00 1.21 O ATOM 674 OE2 GLU A 42 3.110 0.905 -16.873 1.00 15.15 O1- ATOM 0 H GLU A 42 -0.861 4.392 -19.358 1.00 52.44 H new ATOM 0 HA GLU A 42 1.729 5.224 -18.799 1.00 3.33 H new ATOM 0 HB2 GLU A 42 0.723 3.295 -17.734 1.00 74.01 H new ATOM 0 HB3 GLU A 42 0.512 2.480 -19.271 1.00 74.01 H new ATOM 0 HG2 GLU A 42 2.999 2.385 -19.529 1.00 71.52 H new ATOM 0 HG3 GLU A 42 3.170 3.128 -17.951 1.00 71.52 H new ATOM 681 N ARG A 43 1.333 4.157 -21.840 1.00 25.21 N ATOM 682 CA ARG A 43 1.981 4.006 -23.137 1.00 44.12 C ATOM 683 C ARG A 43 2.556 5.336 -23.616 1.00 3.14 C ATOM 684 O ARG A 43 3.528 5.369 -24.371 1.00 23.34 O ATOM 685 CB ARG A 43 0.988 3.468 -24.168 1.00 75.40 C ATOM 686 CG ARG A 43 1.628 2.588 -25.229 1.00 75.43 C ATOM 687 CD ARG A 43 0.825 1.316 -25.457 1.00 11.21 C ATOM 688 NE ARG A 43 -0.280 1.526 -26.389 1.00 63.20 N ATOM 689 CZ ARG A 43 -1.157 0.583 -26.712 1.00 74.44 C ATOM 690 NH1 ARG A 43 -1.060 -0.628 -26.181 1.00 71.33 N1+ ATOM 691 NH2 ARG A 43 -2.135 0.850 -27.568 1.00 54.14 N ATOM 0 H ARG A 43 0.315 4.094 -21.867 1.00 25.21 H new ATOM 0 HA ARG A 43 2.799 3.295 -23.025 1.00 44.12 H new ATOM 0 HB2 ARG A 43 0.216 2.897 -23.652 1.00 75.40 H new ATOM 0 HB3 ARG A 43 0.492 4.308 -24.655 1.00 75.40 H new ATOM 0 HG2 ARG A 43 1.707 3.142 -26.164 1.00 75.43 H new ATOM 0 HG3 ARG A 43 2.642 2.330 -24.925 1.00 75.43 H new ATOM 0 HD2 ARG A 43 1.482 0.537 -25.843 1.00 11.21 H new ATOM 0 HD3 ARG A 43 0.433 0.959 -24.505 1.00 11.21 H new ATOM 0 HE ARG A 43 -0.383 2.447 -26.815 1.00 63.20 H new ATOM 0 HH11 ARG A 43 -0.310 -0.837 -25.522 1.00 71.33 H new ATOM 0 HH12 ARG A 43 -1.735 -1.350 -26.431 1.00 71.33 H new ATOM 0 HH21 ARG A 43 -2.214 1.780 -27.979 1.00 54.14 H new ATOM 0 HH22 ARG A 43 -2.808 0.125 -27.816 1.00 54.14 H new ATOM 705 N PHE A 44 1.949 6.431 -23.171 1.00 53.44 N ATOM 706 CA PHE A 44 2.399 7.764 -23.555 1.00 51.31 C ATOM 707 C PHE A 44 3.328 8.351 -22.496 1.00 33.41 C ATOM 708 O PHE A 44 3.414 9.568 -22.336 1.00 32.43 O ATOM 709 CB PHE A 44 1.199 8.690 -23.766 1.00 71.11 C ATOM 710 CG PHE A 44 0.264 8.223 -24.845 1.00 31.32 C ATOM 711 CD1 PHE A 44 0.733 7.964 -26.123 1.00 0.34 C ATOM 712 CD2 PHE A 44 -1.084 8.043 -24.581 1.00 34.41 C ATOM 713 CE1 PHE A 44 -0.125 7.534 -27.117 1.00 63.14 C ATOM 714 CE2 PHE A 44 -1.947 7.612 -25.572 1.00 4.15 C ATOM 715 CZ PHE A 44 -1.467 7.359 -26.842 1.00 25.44 C ATOM 0 H PHE A 44 1.144 6.422 -22.544 1.00 53.44 H new ATOM 0 HA PHE A 44 2.952 7.678 -24.491 1.00 51.31 H new ATOM 0 HB2 PHE A 44 0.647 8.775 -22.830 1.00 71.11 H new ATOM 0 HB3 PHE A 44 1.560 9.688 -24.016 1.00 71.11 H new ATOM 0 HD1 PHE A 44 1.781 8.100 -26.345 1.00 0.34 H new ATOM 0 HD2 PHE A 44 -1.465 8.241 -23.590 1.00 34.41 H new ATOM 0 HE1 PHE A 44 0.254 7.335 -28.109 1.00 63.14 H new ATOM 0 HE2 PHE A 44 -2.995 7.473 -25.353 1.00 4.15 H new ATOM 0 HZ PHE A 44 -2.140 7.025 -27.618 1.00 25.44 H new ATOM 725 N ALA A 45 4.020 7.475 -21.775 1.00 23.01 N ATOM 726 CA ALA A 45 4.944 7.905 -20.732 1.00 73.31 C ATOM 727 C ALA A 45 4.205 8.617 -19.604 1.00 50.44 C ATOM 728 O ALA A 45 4.800 9.381 -18.844 1.00 41.53 O ATOM 729 CB ALA A 45 6.017 8.810 -21.318 1.00 11.32 C ATOM 0 H ALA A 45 3.959 6.464 -21.894 1.00 23.01 H new ATOM 0 HA ALA A 45 5.421 7.018 -20.315 1.00 73.31 H new ATOM 0 HB1 ALA A 45 6.700 9.123 -20.528 1.00 11.32 H new ATOM 0 HB2 ALA A 45 6.572 8.268 -22.083 1.00 11.32 H new ATOM 0 HB3 ALA A 45 5.549 9.688 -21.763 1.00 11.32 H new ATOM 735 N VAL A 46 2.904 8.363 -19.502 1.00 3.24 N ATOM 736 CA VAL A 46 2.084 8.980 -18.466 1.00 41.41 C ATOM 737 C VAL A 46 1.485 7.928 -17.540 1.00 54.30 C ATOM 738 O VAL A 46 0.668 7.109 -17.960 1.00 44.55 O ATOM 739 CB VAL A 46 0.946 9.819 -19.077 1.00 50.13 C ATOM 740 CG1 VAL A 46 0.079 10.422 -17.982 1.00 62.32 C ATOM 741 CG2 VAL A 46 1.511 10.906 -19.980 1.00 32.51 C ATOM 0 H VAL A 46 2.396 7.734 -20.124 1.00 3.24 H new ATOM 0 HA VAL A 46 2.739 9.634 -17.891 1.00 41.41 H new ATOM 0 HB VAL A 46 0.320 9.164 -19.683 1.00 50.13 H new ATOM 0 HG11 VAL A 46 -0.719 11.011 -18.433 1.00 62.32 H new ATOM 0 HG12 VAL A 46 -0.355 9.623 -17.380 1.00 62.32 H new ATOM 0 HG13 VAL A 46 0.689 11.064 -17.347 1.00 62.32 H new ATOM 0 HG21 VAL A 46 0.693 11.489 -20.403 1.00 32.51 H new ATOM 0 HG22 VAL A 46 2.161 11.561 -19.399 1.00 32.51 H new ATOM 0 HG23 VAL A 46 2.085 10.448 -20.786 1.00 32.51 H new ATOM 751 N ASN A 47 1.895 7.957 -16.276 1.00 42.13 N ATOM 752 CA ASN A 47 1.398 7.005 -15.289 1.00 44.23 C ATOM 753 C ASN A 47 -0.114 7.129 -15.127 1.00 64.34 C ATOM 754 O ASN A 47 -0.684 8.218 -15.198 1.00 65.32 O ATOM 755 CB ASN A 47 2.087 7.230 -13.942 1.00 10.14 C ATOM 756 CG ASN A 47 3.075 6.130 -13.606 1.00 61.45 C ATOM 757 OD1 ASN A 47 3.629 5.485 -14.497 1.00 74.31 O ATOM 758 ND2 ASN A 47 3.301 5.910 -12.316 1.00 74.14 N ATOM 0 H ASN A 47 2.570 8.629 -15.911 1.00 42.13 H new ATOM 0 HA ASN A 47 1.626 6.000 -15.643 1.00 44.23 H new ATOM 0 HB2 ASN A 47 2.606 8.188 -13.958 1.00 10.14 H new ATOM 0 HB3 ASN A 47 1.333 7.289 -13.157 1.00 10.14 H new ATOM 0 HD21 ASN A 47 3.956 5.182 -12.030 1.00 74.14 H new ATOM 0 HD22 ASN A 47 2.820 6.469 -11.611 1.00 74.14 H new ATOM 765 N PRO A 48 -0.780 5.986 -14.904 1.00 50.32 N ATOM 766 CA PRO A 48 -2.234 5.940 -14.726 1.00 54.13 C ATOM 767 C PRO A 48 -2.678 6.570 -13.411 1.00 2.55 C ATOM 768 O PRO A 48 -3.863 6.828 -13.203 1.00 4.23 O ATOM 769 CB PRO A 48 -2.545 4.441 -14.733 1.00 10.24 C ATOM 770 CG PRO A 48 -1.282 3.791 -14.285 1.00 64.45 C ATOM 771 CD PRO A 48 -0.165 4.652 -14.808 1.00 30.23 C ATOM 0 HA PRO A 48 -2.757 6.502 -15.500 1.00 54.13 H new ATOM 0 HB2 PRO A 48 -3.371 4.205 -14.063 1.00 10.24 H new ATOM 0 HB3 PRO A 48 -2.834 4.101 -15.727 1.00 10.24 H new ATOM 0 HG2 PRO A 48 -1.244 3.720 -13.198 1.00 64.45 H new ATOM 0 HG3 PRO A 48 -1.207 2.775 -14.674 1.00 64.45 H new ATOM 0 HD2 PRO A 48 0.692 4.652 -14.134 1.00 30.23 H new ATOM 0 HD3 PRO A 48 0.192 4.303 -15.777 1.00 30.23 H new ATOM 779 N GLY A 49 -1.718 6.817 -12.524 1.00 64.13 N ATOM 780 CA GLY A 49 -2.030 7.416 -11.240 1.00 22.33 C ATOM 781 C GLY A 49 -2.518 8.845 -11.369 1.00 62.14 C ATOM 782 O GLY A 49 -3.104 9.396 -10.437 1.00 31.23 O ATOM 0 H GLY A 49 -0.730 6.613 -12.672 1.00 64.13 H new ATOM 0 HA2 GLY A 49 -2.793 6.819 -10.740 1.00 22.33 H new ATOM 0 HA3 GLY A 49 -1.143 7.394 -10.607 1.00 22.33 H new ATOM 786 N LEU A 50 -2.275 9.448 -12.528 1.00 3.44 N ATOM 787 CA LEU A 50 -2.692 10.824 -12.776 1.00 73.11 C ATOM 788 C LEU A 50 -4.201 10.906 -12.985 1.00 30.23 C ATOM 789 O LEU A 50 -4.814 11.950 -12.758 1.00 72.22 O ATOM 790 CB LEU A 50 -1.966 11.385 -13.999 1.00 44.25 C ATOM 791 CG LEU A 50 -0.439 11.302 -13.970 1.00 50.30 C ATOM 792 CD1 LEU A 50 0.156 11.985 -15.192 1.00 23.23 C ATOM 793 CD2 LEU A 50 0.104 11.924 -12.692 1.00 23.13 C ATOM 0 H LEU A 50 -1.792 9.006 -13.310 1.00 3.44 H new ATOM 0 HA LEU A 50 -2.431 11.420 -11.901 1.00 73.11 H new ATOM 0 HB2 LEU A 50 -2.322 10.855 -14.883 1.00 44.25 H new ATOM 0 HB3 LEU A 50 -2.251 12.430 -14.118 1.00 44.25 H new ATOM 0 HG LEU A 50 -0.151 10.251 -13.990 1.00 50.30 H new ATOM 0 HD11 LEU A 50 1.243 11.916 -15.154 1.00 23.23 H new ATOM 0 HD12 LEU A 50 -0.207 11.495 -16.096 1.00 23.23 H new ATOM 0 HD13 LEU A 50 -0.141 13.034 -15.203 1.00 23.23 H new ATOM 0 HD21 LEU A 50 1.192 11.856 -12.688 1.00 23.13 H new ATOM 0 HD22 LEU A 50 -0.195 12.971 -12.642 1.00 23.13 H new ATOM 0 HD23 LEU A 50 -0.296 11.391 -11.829 1.00 23.13 H new ATOM 805 N LEU A 51 -4.794 9.798 -13.416 1.00 13.15 N ATOM 806 CA LEU A 51 -6.233 9.743 -13.653 1.00 3.24 C ATOM 807 C LEU A 51 -7.007 10.017 -12.367 1.00 52.24 C ATOM 808 O LEU A 51 -8.150 10.472 -12.406 1.00 3.43 O ATOM 809 CB LEU A 51 -6.625 8.376 -14.216 1.00 42.22 C ATOM 810 CG LEU A 51 -6.194 8.095 -15.656 1.00 43.21 C ATOM 811 CD1 LEU A 51 -6.661 6.716 -16.094 1.00 30.34 C ATOM 812 CD2 LEU A 51 -6.734 9.165 -16.593 1.00 53.41 C ATOM 0 H LEU A 51 -4.301 8.926 -13.608 1.00 13.15 H new ATOM 0 HA LEU A 51 -6.487 10.515 -14.380 1.00 3.24 H new ATOM 0 HB2 LEU A 51 -6.200 7.605 -13.573 1.00 42.22 H new ATOM 0 HB3 LEU A 51 -7.709 8.278 -14.157 1.00 42.22 H new ATOM 0 HG LEU A 51 -5.105 8.118 -15.699 1.00 43.21 H new ATOM 0 HD11 LEU A 51 -6.345 6.534 -17.121 1.00 30.34 H new ATOM 0 HD12 LEU A 51 -6.225 5.960 -15.441 1.00 30.34 H new ATOM 0 HD13 LEU A 51 -7.748 6.664 -16.034 1.00 30.34 H new ATOM 0 HD21 LEU A 51 -6.417 8.949 -17.613 1.00 53.41 H new ATOM 0 HD22 LEU A 51 -7.823 9.175 -16.545 1.00 53.41 H new ATOM 0 HD23 LEU A 51 -6.349 10.140 -16.293 1.00 53.41 H new ATOM 824 N GLU A 52 -6.376 9.738 -11.231 1.00 40.51 N ATOM 825 CA GLU A 52 -7.006 9.957 -9.934 1.00 73.45 C ATOM 826 C GLU A 52 -6.511 11.253 -9.300 1.00 22.12 C ATOM 827 O GLU A 52 -6.528 11.406 -8.078 1.00 43.30 O ATOM 828 CB GLU A 52 -6.724 8.778 -9.000 1.00 42.14 C ATOM 829 CG GLU A 52 -5.253 8.613 -8.656 1.00 51.22 C ATOM 830 CD GLU A 52 -5.037 7.797 -7.397 1.00 23.03 C ATOM 831 OE1 GLU A 52 -5.637 6.708 -7.284 1.00 71.03 O1- ATOM 832 OE2 GLU A 52 -4.266 8.248 -6.523 1.00 70.04 O ATOM 0 H GLU A 52 -5.430 9.360 -11.182 1.00 40.51 H new ATOM 0 HA GLU A 52 -8.082 10.038 -10.090 1.00 73.45 H new ATOM 0 HB2 GLU A 52 -7.291 8.911 -8.079 1.00 42.14 H new ATOM 0 HB3 GLU A 52 -7.085 7.861 -9.467 1.00 42.14 H new ATOM 0 HG2 GLU A 52 -4.741 8.132 -9.489 1.00 51.22 H new ATOM 0 HG3 GLU A 52 -4.801 9.597 -8.529 1.00 51.22 H new ATOM 839 N THR A 53 -6.069 12.185 -10.139 1.00 24.41 N ATOM 840 CA THR A 53 -5.567 13.467 -9.662 1.00 25.23 C ATOM 841 C THR A 53 -6.160 14.622 -10.460 1.00 73.52 C ATOM 842 O THR A 53 -6.040 14.669 -11.684 1.00 74.44 O ATOM 843 CB THR A 53 -4.030 13.535 -9.747 1.00 10.32 C ATOM 844 OG1 THR A 53 -3.620 13.653 -11.114 1.00 22.24 O ATOM 845 CG2 THR A 53 -3.398 12.298 -9.127 1.00 10.21 C ATOM 0 H THR A 53 -6.049 12.075 -11.153 1.00 24.41 H new ATOM 0 HA THR A 53 -5.871 13.557 -8.619 1.00 25.23 H new ATOM 0 HB THR A 53 -3.696 14.411 -9.191 1.00 10.32 H new ATOM 0 HG1 THR A 53 -4.101 12.994 -11.658 1.00 22.24 H new ATOM 0 HG21 THR A 53 -2.313 12.369 -9.199 1.00 10.21 H new ATOM 0 HG22 THR A 53 -3.688 12.228 -8.079 1.00 10.21 H new ATOM 0 HG23 THR A 53 -3.739 11.410 -9.658 1.00 10.21 H new ATOM 853 N SER A 54 -6.801 15.552 -9.760 1.00 4.05 N ATOM 854 CA SER A 54 -7.416 16.706 -10.404 1.00 51.04 C ATOM 855 C SER A 54 -6.384 17.498 -11.200 1.00 44.53 C ATOM 856 O SER A 54 -6.727 18.225 -12.132 1.00 14.01 O ATOM 857 CB SER A 54 -8.075 17.609 -9.360 1.00 43.40 C ATOM 858 OG SER A 54 -7.114 18.429 -8.716 1.00 74.22 O ATOM 0 H SER A 54 -6.908 15.529 -8.746 1.00 4.05 H new ATOM 0 HA SER A 54 -8.179 16.343 -11.092 1.00 51.04 H new ATOM 0 HB2 SER A 54 -8.829 18.234 -9.839 1.00 43.40 H new ATOM 0 HB3 SER A 54 -8.591 16.998 -8.620 1.00 43.40 H new ATOM 0 HG SER A 54 -7.560 18.998 -8.055 1.00 74.22 H new ATOM 864 N GLU A 55 -5.117 17.352 -10.825 1.00 3.00 N ATOM 865 CA GLU A 55 -4.034 18.055 -11.503 1.00 23.30 C ATOM 866 C GLU A 55 -3.571 17.282 -12.735 1.00 54.22 C ATOM 867 O GLU A 55 -3.309 17.867 -13.785 1.00 71.24 O ATOM 868 CB GLU A 55 -2.857 18.266 -10.549 1.00 25.35 C ATOM 869 CG GLU A 55 -2.527 19.728 -10.302 1.00 54.51 C ATOM 870 CD GLU A 55 -1.359 19.912 -9.354 1.00 24.34 C ATOM 871 OE1 GLU A 55 -1.590 19.943 -8.127 1.00 33.23 O ATOM 872 OE2 GLU A 55 -0.213 20.024 -9.838 1.00 11.24 O1- ATOM 0 H GLU A 55 -4.815 16.754 -10.056 1.00 3.00 H new ATOM 0 HA GLU A 55 -4.411 19.026 -11.824 1.00 23.30 H new ATOM 0 HB2 GLU A 55 -3.083 17.787 -9.596 1.00 25.35 H new ATOM 0 HB3 GLU A 55 -1.977 17.768 -10.956 1.00 25.35 H new ATOM 0 HG2 GLU A 55 -2.298 20.210 -11.252 1.00 54.51 H new ATOM 0 HG3 GLU A 55 -3.404 20.230 -9.893 1.00 54.51 H new ATOM 879 N GLY A 56 -3.474 15.963 -12.598 1.00 5.35 N ATOM 880 CA GLY A 56 -3.042 15.132 -13.706 1.00 33.20 C ATOM 881 C GLY A 56 -3.896 15.326 -14.943 1.00 52.32 C ATOM 882 O GLY A 56 -3.376 15.575 -16.032 1.00 33.33 O ATOM 0 H GLY A 56 -3.687 15.455 -11.739 1.00 5.35 H new ATOM 0 HA2 GLY A 56 -2.004 15.362 -13.945 1.00 33.20 H new ATOM 0 HA3 GLY A 56 -3.076 14.085 -13.406 1.00 33.20 H new ATOM 886 N CYS A 57 -5.209 15.212 -14.778 1.00 32.13 N ATOM 887 CA CYS A 57 -6.137 15.374 -15.891 1.00 53.52 C ATOM 888 C CYS A 57 -5.877 16.684 -16.629 1.00 61.43 C ATOM 889 O CYS A 57 -5.769 16.705 -17.855 1.00 43.54 O ATOM 890 CB CYS A 57 -7.581 15.337 -15.388 1.00 71.15 C ATOM 891 SG CYS A 57 -8.416 13.756 -15.659 1.00 20.01 S ATOM 0 H CYS A 57 -5.655 15.008 -13.884 1.00 32.13 H new ATOM 0 HA CYS A 57 -5.980 14.549 -16.585 1.00 53.52 H new ATOM 0 HB2 CYS A 57 -7.589 15.562 -14.321 1.00 71.15 H new ATOM 0 HB3 CYS A 57 -8.148 16.125 -15.884 1.00 71.15 H new ATOM 0 HG CYS A 57 -9.260 13.874 -16.640 1.00 20.01 H new ATOM 897 N ARG A 58 -5.779 17.773 -15.874 1.00 41.04 N ATOM 898 CA ARG A 58 -5.534 19.087 -16.457 1.00 73.22 C ATOM 899 C ARG A 58 -4.301 19.062 -17.356 1.00 32.03 C ATOM 900 O ARG A 58 -4.232 19.784 -18.350 1.00 1.33 O ATOM 901 CB ARG A 58 -5.354 20.132 -15.355 1.00 32.23 C ATOM 902 CG ARG A 58 -6.211 21.373 -15.546 1.00 31.44 C ATOM 903 CD ARG A 58 -5.363 22.633 -15.595 1.00 44.53 C ATOM 904 NE ARG A 58 -6.175 23.833 -15.783 1.00 23.33 N ATOM 905 CZ ARG A 58 -5.757 25.057 -15.482 1.00 14.45 C ATOM 906 NH1 ARG A 58 -4.543 25.243 -14.982 1.00 15.52 N1+ ATOM 907 NH2 ARG A 58 -6.555 26.099 -15.681 1.00 2.13 N ATOM 0 H ARG A 58 -5.865 17.772 -14.858 1.00 41.04 H new ATOM 0 HA ARG A 58 -6.399 19.354 -17.064 1.00 73.22 H new ATOM 0 HB2 ARG A 58 -5.595 19.679 -14.393 1.00 32.23 H new ATOM 0 HB3 ARG A 58 -4.306 20.428 -15.314 1.00 32.23 H new ATOM 0 HG2 ARG A 58 -6.784 21.282 -16.469 1.00 31.44 H new ATOM 0 HG3 ARG A 58 -6.930 21.449 -14.731 1.00 31.44 H new ATOM 0 HD2 ARG A 58 -4.793 22.722 -14.670 1.00 44.53 H new ATOM 0 HD3 ARG A 58 -4.641 22.553 -16.408 1.00 44.53 H new ATOM 0 HE ARG A 58 -7.114 23.725 -16.166 1.00 23.33 H new ATOM 0 HH11 ARG A 58 -3.927 24.445 -14.828 1.00 15.52 H new ATOM 0 HH12 ARG A 58 -4.225 26.184 -14.752 1.00 15.52 H new ATOM 0 HH21 ARG A 58 -7.490 25.960 -16.065 1.00 2.13 H new ATOM 0 HH22 ARG A 58 -6.234 27.039 -15.450 1.00 2.13 H new ATOM 921 N GLN A 59 -3.331 18.227 -16.998 1.00 33.42 N ATOM 922 CA GLN A 59 -2.101 18.109 -17.771 1.00 42.32 C ATOM 923 C GLN A 59 -2.297 17.187 -18.970 1.00 52.21 C ATOM 924 O GLN A 59 -1.944 17.535 -20.097 1.00 52.32 O ATOM 925 CB GLN A 59 -0.967 17.584 -16.889 1.00 31.21 C ATOM 926 CG GLN A 59 -0.665 18.473 -15.693 1.00 62.53 C ATOM 927 CD GLN A 59 0.057 17.733 -14.584 1.00 70.01 C ATOM 928 OE1 GLN A 59 0.008 16.505 -14.507 1.00 11.13 O ATOM 929 NE2 GLN A 59 0.733 18.478 -13.718 1.00 10.34 N ATOM 0 H GLN A 59 -3.373 17.622 -16.178 1.00 33.42 H new ATOM 0 HA GLN A 59 -1.837 19.101 -18.138 1.00 42.32 H new ATOM 0 HB2 GLN A 59 -1.226 16.587 -16.534 1.00 31.21 H new ATOM 0 HB3 GLN A 59 -0.065 17.483 -17.493 1.00 31.21 H new ATOM 0 HG2 GLN A 59 -0.057 19.318 -16.017 1.00 62.53 H new ATOM 0 HG3 GLN A 59 -1.598 18.882 -15.304 1.00 62.53 H new ATOM 0 HE21 GLN A 59 0.746 19.493 -13.820 1.00 10.34 H new ATOM 0 HE22 GLN A 59 1.239 18.036 -12.951 1.00 10.34 H new ATOM 938 N ILE A 60 -2.862 16.011 -18.719 1.00 63.11 N ATOM 939 CA ILE A 60 -3.105 15.040 -19.778 1.00 73.43 C ATOM 940 C ILE A 60 -3.896 15.662 -20.924 1.00 12.21 C ATOM 941 O ILE A 60 -3.655 15.363 -22.094 1.00 72.31 O ATOM 942 CB ILE A 60 -3.869 13.811 -19.251 1.00 20.35 C ATOM 943 CG1 ILE A 60 -3.088 13.146 -18.115 1.00 44.41 C ATOM 944 CG2 ILE A 60 -4.122 12.820 -20.377 1.00 42.12 C ATOM 945 CD1 ILE A 60 -3.925 12.211 -17.272 1.00 31.41 C ATOM 0 H ILE A 60 -3.160 15.708 -17.792 1.00 63.11 H new ATOM 0 HA ILE A 60 -2.129 14.722 -20.144 1.00 73.43 H new ATOM 0 HB ILE A 60 -4.832 14.141 -18.861 1.00 20.35 H new ATOM 0 HG12 ILE A 60 -2.251 12.590 -18.537 1.00 44.41 H new ATOM 0 HG13 ILE A 60 -2.666 13.920 -17.474 1.00 44.41 H new ATOM 0 HG21 ILE A 60 -4.663 11.957 -19.988 1.00 42.12 H new ATOM 0 HG22 ILE A 60 -4.715 13.299 -21.156 1.00 42.12 H new ATOM 0 HG23 ILE A 60 -3.170 12.493 -20.795 1.00 42.12 H new ATOM 0 HD11 ILE A 60 -3.306 11.776 -16.487 1.00 31.41 H new ATOM 0 HD12 ILE A 60 -4.747 12.766 -16.820 1.00 31.41 H new ATOM 0 HD13 ILE A 60 -4.326 11.416 -17.900 1.00 31.41 H new ATOM 957 N LEU A 61 -4.840 16.531 -20.580 1.00 11.21 N ATOM 958 CA LEU A 61 -5.666 17.199 -21.580 1.00 35.13 C ATOM 959 C LEU A 61 -4.853 18.225 -22.361 1.00 43.14 C ATOM 960 O LEU A 61 -5.167 18.538 -23.509 1.00 65.52 O ATOM 961 CB LEU A 61 -6.861 17.881 -20.910 1.00 4.11 C ATOM 962 CG LEU A 61 -7.826 16.961 -20.162 1.00 11.44 C ATOM 963 CD1 LEU A 61 -8.575 17.734 -19.087 1.00 53.54 C ATOM 964 CD2 LEU A 61 -8.802 16.310 -21.131 1.00 42.30 C ATOM 0 H LEU A 61 -5.053 16.790 -19.616 1.00 11.21 H new ATOM 0 HA LEU A 61 -6.030 16.444 -22.277 1.00 35.13 H new ATOM 0 HB2 LEU A 61 -6.483 18.625 -20.209 1.00 4.11 H new ATOM 0 HB3 LEU A 61 -7.422 18.419 -21.674 1.00 4.11 H new ATOM 0 HG LEU A 61 -7.247 16.175 -19.678 1.00 11.44 H new ATOM 0 HD11 LEU A 61 -9.257 17.063 -18.565 1.00 53.54 H new ATOM 0 HD12 LEU A 61 -7.862 18.152 -18.376 1.00 53.54 H new ATOM 0 HD13 LEU A 61 -9.143 18.542 -19.549 1.00 53.54 H new ATOM 0 HD21 LEU A 61 -9.481 15.659 -20.581 1.00 42.30 H new ATOM 0 HD22 LEU A 61 -9.376 17.082 -21.644 1.00 42.30 H new ATOM 0 HD23 LEU A 61 -8.249 15.722 -21.864 1.00 42.30 H new ATOM 976 N GLY A 62 -3.803 18.745 -21.732 1.00 14.24 N ATOM 977 CA GLY A 62 -2.959 19.729 -22.384 1.00 73.00 C ATOM 978 C GLY A 62 -2.202 19.152 -23.563 1.00 42.15 C ATOM 979 O GLY A 62 -1.968 19.842 -24.556 1.00 20.35 O ATOM 0 H GLY A 62 -3.522 18.502 -20.782 1.00 14.24 H new ATOM 0 HA2 GLY A 62 -3.574 20.563 -22.723 1.00 73.00 H new ATOM 0 HA3 GLY A 62 -2.249 20.130 -21.661 1.00 73.00 H new ATOM 983 N GLN A 63 -1.816 17.885 -23.455 1.00 33.24 N ATOM 984 CA GLN A 63 -1.078 17.217 -24.520 1.00 54.13 C ATOM 985 C GLN A 63 -2.022 16.741 -25.620 1.00 22.32 C ATOM 986 O GLN A 63 -1.634 16.639 -26.784 1.00 42.25 O ATOM 987 CB GLN A 63 -0.291 16.032 -23.959 1.00 3.11 C ATOM 988 CG GLN A 63 1.179 16.337 -23.720 1.00 2.24 C ATOM 989 CD GLN A 63 1.553 16.293 -22.251 1.00 71.30 C ATOM 990 OE1 GLN A 63 1.919 17.309 -21.661 1.00 1.43 O ATOM 991 NE2 GLN A 63 1.462 15.111 -21.652 1.00 60.13 N ATOM 0 H GLN A 63 -2.002 17.300 -22.640 1.00 33.24 H new ATOM 0 HA GLN A 63 -0.380 17.936 -24.950 1.00 54.13 H new ATOM 0 HB2 GLN A 63 -0.745 15.716 -23.020 1.00 3.11 H new ATOM 0 HB3 GLN A 63 -0.372 15.193 -24.650 1.00 3.11 H new ATOM 0 HG2 GLN A 63 1.789 15.619 -24.268 1.00 2.24 H new ATOM 0 HG3 GLN A 63 1.411 17.324 -24.121 1.00 2.24 H new ATOM 0 HE21 GLN A 63 1.154 14.294 -22.180 1.00 60.13 H new ATOM 0 HE22 GLN A 63 1.700 15.020 -20.664 1.00 60.13 H new ATOM 1000 N LEU A 64 -3.262 16.449 -25.243 1.00 41.31 N ATOM 1001 CA LEU A 64 -4.262 15.983 -26.197 1.00 62.15 C ATOM 1002 C LEU A 64 -4.931 17.158 -26.903 1.00 44.04 C ATOM 1003 O LEU A 64 -5.421 17.023 -28.024 1.00 33.22 O ATOM 1004 CB LEU A 64 -5.316 15.133 -25.487 1.00 34.13 C ATOM 1005 CG LEU A 64 -4.855 13.759 -25.001 1.00 23.44 C ATOM 1006 CD1 LEU A 64 -5.978 13.049 -24.261 1.00 72.11 C ATOM 1007 CD2 LEU A 64 -4.367 12.915 -26.170 1.00 12.51 C ATOM 0 H LEU A 64 -3.599 16.527 -24.283 1.00 41.31 H new ATOM 0 HA LEU A 64 -3.757 15.373 -26.946 1.00 62.15 H new ATOM 0 HB2 LEU A 64 -5.688 15.693 -24.629 1.00 34.13 H new ATOM 0 HB3 LEU A 64 -6.158 14.993 -26.165 1.00 34.13 H new ATOM 0 HG LEU A 64 -4.025 13.900 -24.309 1.00 23.44 H new ATOM 0 HD11 LEU A 64 -5.631 12.073 -23.923 1.00 72.11 H new ATOM 0 HD12 LEU A 64 -6.280 13.645 -23.400 1.00 72.11 H new ATOM 0 HD13 LEU A 64 -6.829 12.920 -24.929 1.00 72.11 H new ATOM 0 HD21 LEU A 64 -4.043 11.940 -25.805 1.00 12.51 H new ATOM 0 HD22 LEU A 64 -5.178 12.783 -26.887 1.00 12.51 H new ATOM 0 HD23 LEU A 64 -3.531 13.417 -26.657 1.00 12.51 H new ATOM 1019 N GLN A 65 -4.944 18.310 -26.241 1.00 1.13 N ATOM 1020 CA GLN A 65 -5.551 19.509 -26.806 1.00 51.11 C ATOM 1021 C GLN A 65 -5.009 19.786 -28.204 1.00 40.34 C ATOM 1022 O GLN A 65 -5.744 19.793 -29.192 1.00 33.52 O ATOM 1023 CB GLN A 65 -5.294 20.713 -25.898 1.00 42.25 C ATOM 1024 CG GLN A 65 -6.507 21.131 -25.083 1.00 22.41 C ATOM 1025 CD GLN A 65 -7.578 21.793 -25.927 1.00 61.50 C ATOM 1026 OE1 GLN A 65 -8.242 21.139 -26.732 1.00 40.23 O ATOM 1027 NE2 GLN A 65 -7.752 23.097 -25.747 1.00 32.41 N ATOM 0 H GLN A 65 -4.541 18.438 -25.313 1.00 1.13 H new ATOM 0 HA GLN A 65 -6.626 19.342 -26.879 1.00 51.11 H new ATOM 0 HB2 GLN A 65 -4.474 20.477 -25.219 1.00 42.25 H new ATOM 0 HB3 GLN A 65 -4.969 21.555 -26.509 1.00 42.25 H new ATOM 0 HG2 GLN A 65 -6.928 20.255 -24.590 1.00 22.41 H new ATOM 0 HG3 GLN A 65 -6.193 21.818 -24.297 1.00 22.41 H new ATOM 0 HE21 GLN A 65 -7.179 23.599 -25.069 1.00 32.41 H new ATOM 0 HE22 GLN A 65 -8.459 23.597 -26.287 1.00 32.41 H new ATOM 1036 N PRO A 66 -3.691 20.022 -28.293 1.00 35.32 N ATOM 1037 CA PRO A 66 -3.021 20.304 -29.566 1.00 34.22 C ATOM 1038 C PRO A 66 -2.963 19.080 -30.474 1.00 11.21 C ATOM 1039 O PRO A 66 -2.722 19.198 -31.675 1.00 64.11 O ATOM 1040 CB PRO A 66 -1.612 20.721 -29.140 1.00 3.13 C ATOM 1041 CG PRO A 66 -1.405 20.063 -27.819 1.00 43.23 C ATOM 1042 CD PRO A 66 -2.754 20.030 -27.157 1.00 73.10 C ATOM 0 HA PRO A 66 -3.548 21.062 -30.145 1.00 34.22 H new ATOM 0 HB2 PRO A 66 -0.867 20.395 -29.866 1.00 3.13 H new ATOM 0 HB3 PRO A 66 -1.527 21.805 -29.060 1.00 3.13 H new ATOM 0 HG2 PRO A 66 -1.006 19.056 -27.943 1.00 43.23 H new ATOM 0 HG3 PRO A 66 -0.687 20.618 -27.215 1.00 43.23 H new ATOM 0 HD2 PRO A 66 -2.873 19.145 -26.532 1.00 73.10 H new ATOM 0 HD3 PRO A 66 -2.908 20.897 -26.515 1.00 73.10 H new ATOM 1050 N SER A 67 -3.186 17.906 -29.892 1.00 54.12 N ATOM 1051 CA SER A 67 -3.156 16.660 -30.649 1.00 41.00 C ATOM 1052 C SER A 67 -4.493 16.412 -31.342 1.00 4.15 C ATOM 1053 O SER A 67 -4.557 15.738 -32.371 1.00 5.43 O ATOM 1054 CB SER A 67 -2.821 15.486 -29.726 1.00 52.45 C ATOM 1055 OG SER A 67 -1.523 15.625 -29.176 1.00 22.32 O ATOM 0 H SER A 67 -3.389 17.792 -28.899 1.00 54.12 H new ATOM 0 HA SER A 67 -2.382 16.746 -31.412 1.00 41.00 H new ATOM 0 HB2 SER A 67 -3.556 15.430 -28.923 1.00 52.45 H new ATOM 0 HB3 SER A 67 -2.885 14.551 -30.283 1.00 52.45 H new ATOM 0 HG SER A 67 -1.586 15.682 -28.200 1.00 22.32 H new ATOM 1061 N LEU A 68 -5.558 16.961 -30.770 1.00 15.23 N ATOM 1062 CA LEU A 68 -6.896 16.801 -31.331 1.00 24.24 C ATOM 1063 C LEU A 68 -6.917 17.189 -32.806 1.00 33.53 C ATOM 1064 O LEU A 68 -7.692 16.641 -33.589 1.00 71.43 O ATOM 1065 CB LEU A 68 -7.902 17.651 -30.553 1.00 44.21 C ATOM 1066 CG LEU A 68 -8.336 17.102 -29.194 1.00 3.14 C ATOM 1067 CD1 LEU A 68 -8.625 18.239 -28.226 1.00 45.31 C ATOM 1068 CD2 LEU A 68 -9.556 16.206 -29.346 1.00 21.45 C ATOM 0 H LEU A 68 -5.522 17.521 -29.918 1.00 15.23 H new ATOM 0 HA LEU A 68 -7.176 15.751 -31.246 1.00 24.24 H new ATOM 0 HB2 LEU A 68 -7.471 18.641 -30.402 1.00 44.21 H new ATOM 0 HB3 LEU A 68 -8.791 17.782 -31.170 1.00 44.21 H new ATOM 0 HG LEU A 68 -7.520 16.505 -28.788 1.00 3.14 H new ATOM 0 HD11 LEU A 68 -8.932 17.829 -27.264 1.00 45.31 H new ATOM 0 HD12 LEU A 68 -7.726 18.841 -28.093 1.00 45.31 H new ATOM 0 HD13 LEU A 68 -9.424 18.863 -28.626 1.00 45.31 H new ATOM 0 HD21 LEU A 68 -9.851 15.824 -28.369 1.00 21.45 H new ATOM 0 HD22 LEU A 68 -10.378 16.780 -29.774 1.00 21.45 H new ATOM 0 HD23 LEU A 68 -9.315 15.371 -30.004 1.00 21.45 H new ATOM 1080 N GLN A 69 -6.061 18.135 -33.176 1.00 64.32 N ATOM 1081 CA GLN A 69 -5.981 18.594 -34.558 1.00 11.02 C ATOM 1082 C GLN A 69 -5.735 17.426 -35.507 1.00 20.44 C ATOM 1083 O GLN A 69 -6.444 17.258 -36.500 1.00 21.55 O ATOM 1084 CB GLN A 69 -4.868 19.632 -34.709 1.00 51.40 C ATOM 1085 CG GLN A 69 -5.060 20.561 -35.897 1.00 43.12 C ATOM 1086 CD GLN A 69 -5.992 21.716 -35.590 1.00 41.54 C ATOM 1087 OE1 GLN A 69 -7.214 21.575 -35.647 1.00 41.44 O ATOM 1088 NE2 GLN A 69 -5.419 22.869 -35.262 1.00 71.42 N ATOM 0 H GLN A 69 -5.413 18.599 -32.539 1.00 64.32 H new ATOM 0 HA GLN A 69 -6.935 19.054 -34.817 1.00 11.02 H new ATOM 0 HB2 GLN A 69 -4.812 20.228 -33.798 1.00 51.40 H new ATOM 0 HB3 GLN A 69 -3.913 19.116 -34.812 1.00 51.40 H new ATOM 0 HG2 GLN A 69 -4.091 20.953 -36.207 1.00 43.12 H new ATOM 0 HG3 GLN A 69 -5.457 19.992 -36.738 1.00 43.12 H new ATOM 0 HE21 GLN A 69 -4.402 22.941 -35.227 1.00 71.42 H new ATOM 0 HE22 GLN A 69 -5.996 23.682 -35.045 1.00 71.42 H new ATOM 1097 N THR A 70 -4.725 16.619 -35.195 1.00 42.32 N ATOM 1098 CA THR A 70 -4.384 15.468 -36.020 1.00 62.55 C ATOM 1099 C THR A 70 -4.406 14.180 -35.204 1.00 54.32 C ATOM 1100 O THR A 70 -3.521 13.336 -35.333 1.00 43.24 O ATOM 1101 CB THR A 70 -2.994 15.629 -36.664 1.00 42.43 C ATOM 1102 OG1 THR A 70 -2.048 16.068 -35.683 1.00 43.42 O ATOM 1103 CG2 THR A 70 -3.042 16.627 -37.812 1.00 21.11 C ATOM 0 H THR A 70 -4.129 16.742 -34.376 1.00 42.32 H new ATOM 0 HA THR A 70 -5.136 15.410 -36.807 1.00 62.55 H new ATOM 0 HB THR A 70 -2.686 14.661 -37.058 1.00 42.43 H new ATOM 0 HG1 THR A 70 -1.166 16.166 -36.100 1.00 43.42 H new ATOM 0 HG21 THR A 70 -2.049 16.724 -38.251 1.00 21.11 H new ATOM 0 HG22 THR A 70 -3.742 16.276 -38.570 1.00 21.11 H new ATOM 0 HG23 THR A 70 -3.370 17.597 -37.438 1.00 21.11 H new ATOM 1111 N GLY A 71 -5.426 14.036 -34.363 1.00 70.10 N ATOM 1112 CA GLY A 71 -5.545 12.848 -33.538 1.00 62.23 C ATOM 1113 C GLY A 71 -6.408 11.780 -34.181 1.00 23.03 C ATOM 1114 O GLY A 71 -7.196 12.068 -35.081 1.00 14.12 O ATOM 0 H GLY A 71 -6.172 14.721 -34.238 1.00 70.10 H new ATOM 0 HA2 GLY A 71 -4.552 12.442 -33.346 1.00 62.23 H new ATOM 0 HA3 GLY A 71 -5.970 13.121 -32.572 1.00 62.23 H new ATOM 1118 N SER A 72 -6.257 10.543 -33.719 1.00 34.33 N ATOM 1119 CA SER A 72 -7.025 9.427 -34.258 1.00 75.22 C ATOM 1120 C SER A 72 -8.182 9.065 -33.331 1.00 63.40 C ATOM 1121 O SER A 72 -8.455 9.768 -32.359 1.00 50.12 O ATOM 1122 CB SER A 72 -6.121 8.210 -34.464 1.00 34.12 C ATOM 1123 OG SER A 72 -6.195 7.327 -33.357 1.00 45.44 O ATOM 0 H SER A 72 -5.610 10.288 -32.973 1.00 34.33 H new ATOM 0 HA SER A 72 -7.436 9.732 -35.220 1.00 75.22 H new ATOM 0 HB2 SER A 72 -6.415 7.685 -35.373 1.00 34.12 H new ATOM 0 HB3 SER A 72 -5.091 8.538 -34.604 1.00 34.12 H new ATOM 0 HG SER A 72 -6.257 6.403 -33.679 1.00 45.44 H new ATOM 1129 N GLU A 73 -8.857 7.962 -33.640 1.00 62.20 N ATOM 1130 CA GLU A 73 -9.984 7.506 -32.835 1.00 52.42 C ATOM 1131 C GLU A 73 -9.576 7.334 -31.375 1.00 62.41 C ATOM 1132 O GLU A 73 -10.330 7.676 -30.465 1.00 23.11 O ATOM 1133 CB GLU A 73 -10.530 6.186 -33.383 1.00 53.31 C ATOM 1134 CG GLU A 73 -12.030 6.025 -33.200 1.00 51.21 C ATOM 1135 CD GLU A 73 -12.578 4.806 -33.916 1.00 64.04 C ATOM 1136 OE1 GLU A 73 -11.864 4.254 -34.780 1.00 11.12 O1- ATOM 1137 OE2 GLU A 73 -13.720 4.404 -33.613 1.00 34.34 O ATOM 0 H GLU A 73 -8.643 7.368 -34.441 1.00 62.20 H new ATOM 0 HA GLU A 73 -10.766 8.264 -32.888 1.00 52.42 H new ATOM 0 HB2 GLU A 73 -10.293 6.117 -34.445 1.00 53.31 H new ATOM 0 HB3 GLU A 73 -10.021 5.359 -32.888 1.00 53.31 H new ATOM 0 HG2 GLU A 73 -12.256 5.949 -32.136 1.00 51.21 H new ATOM 0 HG3 GLU A 73 -12.535 6.917 -33.571 1.00 51.21 H new ATOM 1144 N GLU A 74 -8.377 6.799 -31.161 1.00 53.52 N ATOM 1145 CA GLU A 74 -7.869 6.580 -29.812 1.00 74.10 C ATOM 1146 C GLU A 74 -7.641 7.907 -29.094 1.00 62.20 C ATOM 1147 O GLU A 74 -8.068 8.090 -27.953 1.00 40.33 O ATOM 1148 CB GLU A 74 -6.565 5.781 -29.858 1.00 33.01 C ATOM 1149 CG GLU A 74 -6.738 4.362 -30.374 1.00 14.24 C ATOM 1150 CD GLU A 74 -5.962 4.107 -31.651 1.00 54.12 C ATOM 1151 OE1 GLU A 74 -6.426 4.548 -32.724 1.00 21.30 O ATOM 1152 OE2 GLU A 74 -4.893 3.467 -31.579 1.00 3.14 O1- ATOM 0 H GLU A 74 -7.741 6.510 -31.904 1.00 53.52 H new ATOM 0 HA GLU A 74 -8.616 6.011 -29.258 1.00 74.10 H new ATOM 0 HB2 GLU A 74 -5.850 6.305 -30.493 1.00 33.01 H new ATOM 0 HB3 GLU A 74 -6.136 5.745 -28.857 1.00 33.01 H new ATOM 0 HG2 GLU A 74 -6.411 3.659 -29.608 1.00 14.24 H new ATOM 0 HG3 GLU A 74 -7.796 4.171 -30.552 1.00 14.24 H new ATOM 1159 N LEU A 75 -6.964 8.829 -29.769 1.00 40.04 N ATOM 1160 CA LEU A 75 -6.677 10.140 -29.197 1.00 32.21 C ATOM 1161 C LEU A 75 -7.966 10.863 -28.819 1.00 30.32 C ATOM 1162 O LEU A 75 -8.012 11.595 -27.830 1.00 45.03 O ATOM 1163 CB LEU A 75 -5.876 10.986 -30.187 1.00 41.54 C ATOM 1164 CG LEU A 75 -4.922 12.013 -29.575 1.00 54.21 C ATOM 1165 CD1 LEU A 75 -3.500 11.774 -30.057 1.00 1.32 C ATOM 1166 CD2 LEU A 75 -5.372 13.427 -29.914 1.00 21.02 C ATOM 0 H LEU A 75 -6.603 8.693 -30.713 1.00 40.04 H new ATOM 0 HA LEU A 75 -6.086 9.993 -28.293 1.00 32.21 H new ATOM 0 HB2 LEU A 75 -5.297 10.315 -30.822 1.00 41.54 H new ATOM 0 HB3 LEU A 75 -6.577 11.512 -30.835 1.00 41.54 H new ATOM 0 HG LEU A 75 -4.940 11.897 -28.491 1.00 54.21 H new ATOM 0 HD11 LEU A 75 -2.835 12.514 -29.611 1.00 1.32 H new ATOM 0 HD12 LEU A 75 -3.179 10.775 -29.763 1.00 1.32 H new ATOM 0 HD13 LEU A 75 -3.464 11.862 -31.143 1.00 1.32 H new ATOM 0 HD21 LEU A 75 -4.682 14.145 -29.471 1.00 21.02 H new ATOM 0 HD22 LEU A 75 -5.383 13.556 -30.996 1.00 21.02 H new ATOM 0 HD23 LEU A 75 -6.374 13.595 -29.518 1.00 21.02 H new ATOM 1178 N ARG A 76 -9.012 10.650 -29.611 1.00 2.11 N ATOM 1179 CA ARG A 76 -10.302 11.281 -29.359 1.00 21.44 C ATOM 1180 C ARG A 76 -10.964 10.686 -28.119 1.00 54.22 C ATOM 1181 O ARG A 76 -11.351 11.410 -27.202 1.00 3.51 O ATOM 1182 CB ARG A 76 -11.221 11.114 -30.570 1.00 44.15 C ATOM 1183 CG ARG A 76 -11.092 12.234 -31.590 1.00 74.23 C ATOM 1184 CD ARG A 76 -12.208 12.177 -32.623 1.00 4.44 C ATOM 1185 NE ARG A 76 -12.913 13.451 -32.736 1.00 34.01 N ATOM 1186 CZ ARG A 76 -14.105 13.582 -33.307 1.00 54.32 C ATOM 1187 NH1 ARG A 76 -14.722 12.523 -33.814 1.00 44.31 N1+ ATOM 1188 NH2 ARG A 76 -14.684 14.775 -33.372 1.00 22.32 N ATOM 0 H ARG A 76 -8.991 10.045 -30.432 1.00 2.11 H new ATOM 0 HA ARG A 76 -10.131 12.343 -29.185 1.00 21.44 H new ATOM 0 HB2 ARG A 76 -10.999 10.164 -31.056 1.00 44.15 H new ATOM 0 HB3 ARG A 76 -12.254 11.063 -30.227 1.00 44.15 H new ATOM 0 HG2 ARG A 76 -11.116 13.197 -31.080 1.00 74.23 H new ATOM 0 HG3 ARG A 76 -10.127 12.162 -32.091 1.00 74.23 H new ATOM 0 HD2 ARG A 76 -11.791 11.906 -33.593 1.00 4.44 H new ATOM 0 HD3 ARG A 76 -12.915 11.394 -32.350 1.00 4.44 H new ATOM 0 HE ARG A 76 -12.466 14.285 -32.356 1.00 34.01 H new ATOM 0 HH11 ARG A 76 -14.281 11.604 -33.766 1.00 44.31 H new ATOM 0 HH12 ARG A 76 -15.637 12.627 -34.252 1.00 44.31 H new ATOM 0 HH21 ARG A 76 -14.213 15.592 -32.983 1.00 22.32 H new ATOM 0 HH22 ARG A 76 -15.599 14.874 -33.811 1.00 22.32 H new ATOM 1202 N SER A 77 -11.093 9.363 -28.100 1.00 3.41 N ATOM 1203 CA SER A 77 -11.712 8.672 -26.976 1.00 34.24 C ATOM 1204 C SER A 77 -11.068 9.091 -25.658 1.00 1.22 C ATOM 1205 O SER A 77 -11.739 9.195 -24.630 1.00 61.50 O ATOM 1206 CB SER A 77 -11.595 7.157 -27.154 1.00 74.11 C ATOM 1207 OG SER A 77 -12.709 6.639 -27.861 1.00 40.23 O ATOM 0 H SER A 77 -10.777 8.749 -28.850 1.00 3.41 H new ATOM 0 HA SER A 77 -12.766 8.948 -26.949 1.00 34.24 H new ATOM 0 HB2 SER A 77 -10.677 6.921 -27.692 1.00 74.11 H new ATOM 0 HB3 SER A 77 -11.525 6.677 -26.178 1.00 74.11 H new ATOM 0 HG SER A 77 -12.610 5.669 -27.963 1.00 40.23 H new ATOM 1213 N LEU A 78 -9.762 9.332 -25.696 1.00 20.34 N ATOM 1214 CA LEU A 78 -9.024 9.740 -24.505 1.00 55.31 C ATOM 1215 C LEU A 78 -9.519 11.090 -23.995 1.00 32.25 C ATOM 1216 O LEU A 78 -9.946 11.212 -22.846 1.00 61.10 O ATOM 1217 CB LEU A 78 -7.527 9.815 -24.809 1.00 52.03 C ATOM 1218 CG LEU A 78 -6.677 8.658 -24.283 1.00 41.14 C ATOM 1219 CD1 LEU A 78 -6.823 8.531 -22.775 1.00 3.00 C ATOM 1220 CD2 LEU A 78 -7.064 7.356 -24.970 1.00 52.40 C ATOM 0 H LEU A 78 -9.192 9.252 -26.538 1.00 20.34 H new ATOM 0 HA LEU A 78 -9.194 8.994 -23.729 1.00 55.31 H new ATOM 0 HB2 LEU A 78 -7.398 9.872 -25.890 1.00 52.03 H new ATOM 0 HB3 LEU A 78 -7.138 10.744 -24.392 1.00 52.03 H new ATOM 0 HG LEU A 78 -5.632 8.868 -24.510 1.00 41.14 H new ATOM 0 HD11 LEU A 78 -6.211 7.702 -22.419 1.00 3.00 H new ATOM 0 HD12 LEU A 78 -6.496 9.455 -22.299 1.00 3.00 H new ATOM 0 HD13 LEU A 78 -7.867 8.344 -22.525 1.00 3.00 H new ATOM 0 HD21 LEU A 78 -6.449 6.544 -24.583 1.00 52.40 H new ATOM 0 HD22 LEU A 78 -8.114 7.140 -24.775 1.00 52.40 H new ATOM 0 HD23 LEU A 78 -6.906 7.451 -26.044 1.00 52.40 H new ATOM 1232 N TYR A 79 -9.461 12.100 -24.856 1.00 30.55 N ATOM 1233 CA TYR A 79 -9.903 13.441 -24.492 1.00 21.42 C ATOM 1234 C TYR A 79 -11.314 13.411 -23.913 1.00 73.11 C ATOM 1235 O TYR A 79 -11.670 14.236 -23.073 1.00 51.22 O ATOM 1236 CB TYR A 79 -9.859 14.363 -25.711 1.00 50.02 C ATOM 1237 CG TYR A 79 -9.678 15.823 -25.360 1.00 71.51 C ATOM 1238 CD1 TYR A 79 -8.503 16.275 -24.773 1.00 1.40 C ATOM 1239 CD2 TYR A 79 -10.682 16.748 -25.614 1.00 52.44 C ATOM 1240 CE1 TYR A 79 -8.333 17.608 -24.450 1.00 32.22 C ATOM 1241 CE2 TYR A 79 -10.521 18.083 -25.296 1.00 63.10 C ATOM 1242 CZ TYR A 79 -9.345 18.508 -24.714 1.00 23.43 C ATOM 1243 OH TYR A 79 -9.181 19.836 -24.394 1.00 25.13 O ATOM 0 H TYR A 79 -9.112 12.016 -25.811 1.00 30.55 H new ATOM 0 HA TYR A 79 -9.225 13.825 -23.730 1.00 21.42 H new ATOM 0 HB2 TYR A 79 -9.043 14.051 -26.363 1.00 50.02 H new ATOM 0 HB3 TYR A 79 -10.783 14.246 -26.278 1.00 50.02 H new ATOM 0 HD1 TYR A 79 -7.709 15.573 -24.566 1.00 1.40 H new ATOM 0 HD2 TYR A 79 -11.605 16.418 -26.068 1.00 52.44 H new ATOM 0 HE1 TYR A 79 -7.413 17.943 -23.994 1.00 32.22 H new ATOM 0 HE2 TYR A 79 -11.311 18.790 -25.502 1.00 63.10 H new ATOM 0 HH TYR A 79 -9.628 20.392 -25.066 1.00 25.13 H new ATOM 1253 N ASN A 80 -12.114 12.452 -24.369 1.00 43.14 N ATOM 1254 CA ASN A 80 -13.487 12.313 -23.898 1.00 2.12 C ATOM 1255 C ASN A 80 -13.519 11.834 -22.450 1.00 22.13 C ATOM 1256 O ASN A 80 -14.108 12.480 -21.582 1.00 43.34 O ATOM 1257 CB ASN A 80 -14.257 11.335 -24.788 1.00 10.35 C ATOM 1258 CG ASN A 80 -14.611 11.935 -26.135 1.00 23.02 C ATOM 1259 OD1 ASN A 80 -14.629 13.155 -26.298 1.00 14.11 O ATOM 1260 ND2 ASN A 80 -14.894 11.077 -27.108 1.00 43.11 N ATOM 0 H ASN A 80 -11.835 11.760 -25.064 1.00 43.14 H new ATOM 0 HA ASN A 80 -13.963 13.292 -23.949 1.00 2.12 H new ATOM 0 HB2 ASN A 80 -13.658 10.437 -24.939 1.00 10.35 H new ATOM 0 HB3 ASN A 80 -15.170 11.027 -24.279 1.00 10.35 H new ATOM 0 HD21 ASN A 80 -15.139 11.421 -28.036 1.00 43.11 H new ATOM 0 HD22 ASN A 80 -14.866 10.074 -26.927 1.00 43.11 H new ATOM 1267 N THR A 81 -12.881 10.696 -22.194 1.00 64.13 N ATOM 1268 CA THR A 81 -12.836 10.129 -20.852 1.00 40.24 C ATOM 1269 C THR A 81 -12.100 11.054 -19.889 1.00 63.54 C ATOM 1270 O THR A 81 -12.607 11.376 -18.815 1.00 4.43 O ATOM 1271 CB THR A 81 -12.150 8.750 -20.848 1.00 32.15 C ATOM 1272 OG1 THR A 81 -12.763 7.895 -21.819 1.00 31.32 O ATOM 1273 CG2 THR A 81 -12.237 8.107 -19.472 1.00 13.25 C ATOM 0 H THR A 81 -12.388 10.149 -22.899 1.00 64.13 H new ATOM 0 HA THR A 81 -13.868 10.014 -20.522 1.00 40.24 H new ATOM 0 HB THR A 81 -11.099 8.891 -21.101 1.00 32.15 H new ATOM 0 HG1 THR A 81 -12.496 8.178 -22.719 1.00 31.32 H new ATOM 0 HG21 THR A 81 -11.746 7.134 -19.493 1.00 13.25 H new ATOM 0 HG22 THR A 81 -11.744 8.746 -18.740 1.00 13.25 H new ATOM 0 HG23 THR A 81 -13.284 7.979 -19.196 1.00 13.25 H new ATOM 1281 N ILE A 82 -10.903 11.477 -20.282 1.00 23.55 N ATOM 1282 CA ILE A 82 -10.098 12.366 -19.453 1.00 31.41 C ATOM 1283 C ILE A 82 -10.855 13.649 -19.129 1.00 5.42 C ATOM 1284 O ILE A 82 -10.589 14.301 -18.119 1.00 64.51 O ATOM 1285 CB ILE A 82 -8.768 12.726 -20.141 1.00 13.41 C ATOM 1286 CG1 ILE A 82 -7.968 11.459 -20.449 1.00 53.14 C ATOM 1287 CG2 ILE A 82 -7.958 13.671 -19.266 1.00 31.25 C ATOM 1288 CD1 ILE A 82 -6.890 11.664 -21.490 1.00 71.45 C ATOM 0 H ILE A 82 -10.470 11.219 -21.168 1.00 23.55 H new ATOM 0 HA ILE A 82 -9.885 11.830 -18.528 1.00 31.41 H new ATOM 0 HB ILE A 82 -8.988 13.231 -21.081 1.00 13.41 H new ATOM 0 HG12 ILE A 82 -7.509 11.096 -19.529 1.00 53.14 H new ATOM 0 HG13 ILE A 82 -8.651 10.682 -20.793 1.00 53.14 H new ATOM 0 HG21 ILE A 82 -7.021 13.916 -19.766 1.00 31.25 H new ATOM 0 HG22 ILE A 82 -8.527 14.585 -19.093 1.00 31.25 H new ATOM 0 HG23 ILE A 82 -7.745 13.190 -18.311 1.00 31.25 H new ATOM 0 HD11 ILE A 82 -6.363 10.725 -21.658 1.00 71.45 H new ATOM 0 HD12 ILE A 82 -7.344 11.998 -22.423 1.00 71.45 H new ATOM 0 HD13 ILE A 82 -6.185 12.418 -21.140 1.00 71.45 H new ATOM 1300 N ALA A 83 -11.800 14.007 -19.992 1.00 20.51 N ATOM 1301 CA ALA A 83 -12.598 15.210 -19.796 1.00 12.22 C ATOM 1302 C ALA A 83 -13.602 15.025 -18.662 1.00 65.05 C ATOM 1303 O ALA A 83 -13.646 15.819 -17.723 1.00 5.03 O ATOM 1304 CB ALA A 83 -13.317 15.583 -21.084 1.00 60.40 C ATOM 0 H ALA A 83 -12.031 13.480 -20.834 1.00 20.51 H new ATOM 0 HA ALA A 83 -11.924 16.021 -19.521 1.00 12.22 H new ATOM 0 HB1 ALA A 83 -13.909 16.484 -20.922 1.00 60.40 H new ATOM 0 HB2 ALA A 83 -12.584 15.767 -21.870 1.00 60.40 H new ATOM 0 HB3 ALA A 83 -13.973 14.766 -21.384 1.00 60.40 H new ATOM 1310 N VAL A 84 -14.407 13.972 -18.758 1.00 31.24 N ATOM 1311 CA VAL A 84 -15.410 13.682 -17.740 1.00 11.21 C ATOM 1312 C VAL A 84 -14.762 13.448 -16.380 1.00 63.43 C ATOM 1313 O VAL A 84 -15.103 14.104 -15.396 1.00 13.24 O ATOM 1314 CB VAL A 84 -16.250 12.447 -18.116 1.00 14.24 C ATOM 1315 CG1 VAL A 84 -17.272 12.146 -17.030 1.00 13.11 C ATOM 1316 CG2 VAL A 84 -16.933 12.656 -19.459 1.00 13.42 C ATOM 0 H VAL A 84 -14.384 13.306 -19.530 1.00 31.24 H new ATOM 0 HA VAL A 84 -16.063 14.553 -17.682 1.00 11.21 H new ATOM 0 HB VAL A 84 -15.584 11.589 -18.203 1.00 14.24 H new ATOM 0 HG11 VAL A 84 -17.856 11.270 -17.313 1.00 13.11 H new ATOM 0 HG12 VAL A 84 -16.757 11.950 -16.090 1.00 13.11 H new ATOM 0 HG13 VAL A 84 -17.936 13.002 -16.908 1.00 13.11 H new ATOM 0 HG21 VAL A 84 -17.522 11.774 -19.709 1.00 13.42 H new ATOM 0 HG22 VAL A 84 -17.588 13.526 -19.403 1.00 13.42 H new ATOM 0 HG23 VAL A 84 -16.179 12.819 -20.229 1.00 13.42 H new ATOM 1326 N LEU A 85 -13.824 12.508 -16.333 1.00 30.14 N ATOM 1327 CA LEU A 85 -13.126 12.186 -15.093 1.00 2.02 C ATOM 1328 C LEU A 85 -12.539 13.442 -14.457 1.00 24.13 C ATOM 1329 O LEU A 85 -12.503 13.572 -13.233 1.00 23.52 O ATOM 1330 CB LEU A 85 -12.015 11.169 -15.359 1.00 71.53 C ATOM 1331 CG LEU A 85 -11.609 10.292 -14.174 1.00 1.42 C ATOM 1332 CD1 LEU A 85 -12.610 9.165 -13.975 1.00 53.22 C ATOM 1333 CD2 LEU A 85 -10.208 9.734 -14.379 1.00 32.05 C ATOM 0 H LEU A 85 -13.529 11.956 -17.139 1.00 30.14 H new ATOM 0 HA LEU A 85 -13.848 11.753 -14.401 1.00 2.02 H new ATOM 0 HB2 LEU A 85 -12.333 10.519 -16.174 1.00 71.53 H new ATOM 0 HB3 LEU A 85 -11.133 11.707 -15.706 1.00 71.53 H new ATOM 0 HG LEU A 85 -11.605 10.909 -13.275 1.00 1.42 H new ATOM 0 HD11 LEU A 85 -12.304 8.552 -13.127 1.00 53.22 H new ATOM 0 HD12 LEU A 85 -13.597 9.585 -13.781 1.00 53.22 H new ATOM 0 HD13 LEU A 85 -12.648 8.549 -14.873 1.00 53.22 H new ATOM 0 HD21 LEU A 85 -9.936 9.112 -13.526 1.00 32.05 H new ATOM 0 HD22 LEU A 85 -10.185 9.133 -15.288 1.00 32.05 H new ATOM 0 HD23 LEU A 85 -9.498 10.556 -14.470 1.00 32.05 H new ATOM 1345 N TYR A 86 -12.081 14.365 -15.295 1.00 75.04 N ATOM 1346 CA TYR A 86 -11.496 15.611 -14.815 1.00 63.12 C ATOM 1347 C TYR A 86 -12.530 16.447 -14.067 1.00 71.53 C ATOM 1348 O TYR A 86 -12.336 16.799 -12.903 1.00 63.12 O ATOM 1349 CB TYR A 86 -10.924 16.414 -15.985 1.00 10.12 C ATOM 1350 CG TYR A 86 -10.466 17.803 -15.599 1.00 75.34 C ATOM 1351 CD1 TYR A 86 -9.477 17.989 -14.642 1.00 10.00 C ATOM 1352 CD2 TYR A 86 -11.023 18.929 -16.194 1.00 32.33 C ATOM 1353 CE1 TYR A 86 -9.057 19.256 -14.286 1.00 64.14 C ATOM 1354 CE2 TYR A 86 -10.608 20.199 -15.845 1.00 41.44 C ATOM 1355 CZ TYR A 86 -9.625 20.358 -14.891 1.00 22.20 C ATOM 1356 OH TYR A 86 -9.208 21.621 -14.541 1.00 3.55 O ATOM 0 H TYR A 86 -12.104 14.274 -16.311 1.00 75.04 H new ATOM 0 HA TYR A 86 -10.690 15.362 -14.125 1.00 63.12 H new ATOM 0 HB2 TYR A 86 -10.083 15.869 -16.412 1.00 10.12 H new ATOM 0 HB3 TYR A 86 -11.681 16.494 -16.765 1.00 10.12 H new ATOM 0 HD1 TYR A 86 -9.029 17.128 -14.168 1.00 10.00 H new ATOM 0 HD2 TYR A 86 -11.793 18.809 -16.942 1.00 32.33 H new ATOM 0 HE1 TYR A 86 -8.288 19.383 -13.538 1.00 64.14 H new ATOM 0 HE2 TYR A 86 -11.051 21.064 -16.317 1.00 41.44 H new ATOM 0 HH TYR A 86 -9.707 22.286 -15.060 1.00 3.55 H new ATOM 1366 N CYS A 87 -13.629 16.759 -14.744 1.00 55.10 N ATOM 1367 CA CYS A 87 -14.696 17.554 -14.145 1.00 31.40 C ATOM 1368 C CYS A 87 -15.129 16.962 -12.807 1.00 51.05 C ATOM 1369 O CYS A 87 -15.535 17.686 -11.899 1.00 12.34 O ATOM 1370 CB CYS A 87 -15.894 17.634 -15.092 1.00 40.14 C ATOM 1371 SG CYS A 87 -15.785 18.968 -16.309 1.00 23.53 S ATOM 0 H CYS A 87 -13.805 16.474 -15.707 1.00 55.10 H new ATOM 0 HA CYS A 87 -14.312 18.559 -13.970 1.00 31.40 H new ATOM 0 HB2 CYS A 87 -15.992 16.684 -15.618 1.00 40.14 H new ATOM 0 HB3 CYS A 87 -16.801 17.767 -14.503 1.00 40.14 H new ATOM 0 HG CYS A 87 -16.842 18.953 -17.065 1.00 23.53 H new ATOM 1377 N VAL A 88 -15.041 15.640 -12.695 1.00 10.55 N ATOM 1378 CA VAL A 88 -15.424 14.951 -11.468 1.00 71.24 C ATOM 1379 C VAL A 88 -14.497 15.322 -10.316 1.00 50.05 C ATOM 1380 O VAL A 88 -14.933 15.453 -9.172 1.00 64.20 O ATOM 1381 CB VAL A 88 -15.406 13.422 -11.655 1.00 40.02 C ATOM 1382 CG1 VAL A 88 -15.989 12.728 -10.434 1.00 73.30 C ATOM 1383 CG2 VAL A 88 -16.165 13.031 -12.914 1.00 64.44 C ATOM 0 H VAL A 88 -14.708 15.026 -13.438 1.00 10.55 H new ATOM 0 HA VAL A 88 -16.439 15.269 -11.230 1.00 71.24 H new ATOM 0 HB VAL A 88 -14.371 13.099 -11.767 1.00 40.02 H new ATOM 0 HG11 VAL A 88 -15.968 11.649 -10.584 1.00 73.30 H new ATOM 0 HG12 VAL A 88 -15.399 12.983 -9.554 1.00 73.30 H new ATOM 0 HG13 VAL A 88 -17.019 13.054 -10.287 1.00 73.30 H new ATOM 0 HG21 VAL A 88 -16.142 11.948 -13.031 1.00 64.44 H new ATOM 0 HG22 VAL A 88 -17.199 13.366 -12.834 1.00 64.44 H new ATOM 0 HG23 VAL A 88 -15.698 13.499 -13.781 1.00 64.44 H new ATOM 1393 N HIS A 89 -13.216 15.491 -10.626 1.00 45.34 N ATOM 1394 CA HIS A 89 -12.225 15.849 -9.617 1.00 3.22 C ATOM 1395 C HIS A 89 -12.225 17.355 -9.366 1.00 73.44 C ATOM 1396 O HIS A 89 -11.671 17.757 -8.344 1.00 32.11 O ATOM 1397 CB HIS A 89 -10.832 15.394 -10.054 1.00 41.42 C ATOM 1398 CG HIS A 89 -10.742 13.925 -10.333 1.00 52.21 C ATOM 1399 ND1 HIS A 89 -11.564 12.994 -9.734 1.00 63.22 N ATOM 1400 CD2 HIS A 89 -9.922 13.228 -11.153 1.00 42.35 C ATOM 1401 CE1 HIS A 89 -11.252 11.788 -10.174 1.00 23.22 C ATOM 1402 NE2 HIS A 89 -10.258 11.903 -11.037 1.00 34.20 N ATOM 0 H HIS A 89 -12.839 15.386 -11.568 1.00 45.34 H new ATOM 0 HA HIS A 89 -12.490 15.343 -8.689 1.00 3.22 H new ATOM 0 HB2 HIS A 89 -10.543 15.944 -10.950 1.00 41.42 H new ATOM 0 HB3 HIS A 89 -10.114 15.652 -9.276 1.00 41.42 H new ATOM 0 HD1 HIS A 89 -12.298 13.204 -9.057 1.00 63.22 H new ATOM 0 HD2 HIS A 89 -9.146 13.639 -11.782 1.00 42.35 H new ATOM 0 HE1 HIS A 89 -11.728 10.865 -9.879 1.00 23.22 H new ATOM 1411 N GLN A 90 -12.811 18.167 -10.241 1.00 22.43 N ATOM 1412 CA GLN A 90 -12.835 19.611 -10.043 1.00 53.15 C ATOM 1413 C GLN A 90 -14.164 20.056 -9.442 1.00 33.11 C ATOM 1414 O GLN A 90 -14.586 21.199 -9.620 1.00 61.34 O ATOM 1415 CB GLN A 90 -12.596 20.332 -11.371 1.00 2.51 C ATOM 1416 CG GLN A 90 -11.126 20.465 -11.735 1.00 22.12 C ATOM 1417 CD GLN A 90 -10.319 21.163 -10.658 1.00 43.33 C ATOM 1418 OE1 GLN A 90 -9.273 20.672 -10.233 1.00 20.41 O ATOM 1419 NE2 GLN A 90 -10.801 22.317 -10.211 1.00 61.11 N ATOM 0 H GLN A 90 -13.275 17.850 -11.092 1.00 22.43 H new ATOM 0 HA GLN A 90 -12.037 19.871 -9.347 1.00 53.15 H new ATOM 0 HB2 GLN A 90 -13.111 19.792 -12.166 1.00 2.51 H new ATOM 0 HB3 GLN A 90 -13.041 21.326 -11.320 1.00 2.51 H new ATOM 0 HG2 GLN A 90 -10.708 19.474 -11.912 1.00 22.12 H new ATOM 0 HG3 GLN A 90 -11.036 21.020 -12.669 1.00 22.12 H new ATOM 0 HE21 GLN A 90 -11.672 22.688 -10.591 1.00 61.11 H new ATOM 0 HE22 GLN A 90 -10.300 22.833 -9.487 1.00 61.11 H new ATOM 1428 N ARG A 91 -14.820 19.146 -8.729 1.00 62.42 N ATOM 1429 CA ARG A 91 -16.102 19.444 -8.103 1.00 1.03 C ATOM 1430 C ARG A 91 -17.112 19.932 -9.137 1.00 41.20 C ATOM 1431 O ARG A 91 -18.044 20.667 -8.810 1.00 35.23 O ATOM 1432 CB ARG A 91 -15.926 20.499 -7.009 1.00 21.23 C ATOM 1433 CG ARG A 91 -15.234 19.973 -5.762 1.00 4.22 C ATOM 1434 CD ARG A 91 -16.157 19.082 -4.946 1.00 23.40 C ATOM 1435 NE ARG A 91 -15.805 17.670 -5.072 1.00 34.45 N ATOM 1436 CZ ARG A 91 -16.466 16.691 -4.463 1.00 52.10 C ATOM 1437 NH1 ARG A 91 -17.508 16.970 -3.691 1.00 64.22 N1+ ATOM 1438 NH2 ARG A 91 -16.086 15.430 -4.627 1.00 0.45 N ATOM 0 H ARG A 91 -14.484 18.196 -8.571 1.00 62.42 H new ATOM 0 HA ARG A 91 -16.482 18.525 -7.655 1.00 1.03 H new ATOM 0 HB2 ARG A 91 -15.350 21.333 -7.410 1.00 21.23 H new ATOM 0 HB3 ARG A 91 -16.905 20.891 -6.733 1.00 21.23 H new ATOM 0 HG2 ARG A 91 -14.344 19.412 -6.048 1.00 4.22 H new ATOM 0 HG3 ARG A 91 -14.900 20.810 -5.149 1.00 4.22 H new ATOM 0 HD2 ARG A 91 -16.110 19.375 -3.897 1.00 23.40 H new ATOM 0 HD3 ARG A 91 -17.186 19.230 -5.273 1.00 23.40 H new ATOM 0 HE ARG A 91 -15.009 17.422 -5.659 1.00 34.45 H new ATOM 0 HH11 ARG A 91 -17.804 17.938 -3.564 1.00 64.22 H new ATOM 0 HH12 ARG A 91 -18.014 16.217 -3.225 1.00 64.22 H new ATOM 0 HH21 ARG A 91 -15.286 15.212 -5.221 1.00 0.45 H new ATOM 0 HH22 ARG A 91 -16.594 14.679 -4.159 1.00 0.45 H new ATOM 1452 N ILE A 92 -16.919 19.520 -10.385 1.00 60.23 N ATOM 1453 CA ILE A 92 -17.813 19.915 -11.467 1.00 31.34 C ATOM 1454 C ILE A 92 -18.863 18.841 -11.731 1.00 55.40 C ATOM 1455 O ILE A 92 -18.601 17.649 -11.573 1.00 61.01 O ATOM 1456 CB ILE A 92 -17.036 20.188 -12.768 1.00 11.31 C ATOM 1457 CG1 ILE A 92 -15.846 21.110 -12.493 1.00 30.21 C ATOM 1458 CG2 ILE A 92 -17.955 20.799 -13.815 1.00 13.40 C ATOM 1459 CD1 ILE A 92 -15.021 21.415 -13.723 1.00 60.25 C ATOM 0 H ILE A 92 -16.152 18.913 -10.672 1.00 60.23 H new ATOM 0 HA ILE A 92 -18.307 20.833 -11.149 1.00 31.34 H new ATOM 0 HB ILE A 92 -16.657 19.241 -13.153 1.00 11.31 H new ATOM 0 HG12 ILE A 92 -16.212 22.045 -12.070 1.00 30.21 H new ATOM 0 HG13 ILE A 92 -15.206 20.649 -11.741 1.00 30.21 H new ATOM 0 HG21 ILE A 92 -17.391 20.986 -14.729 1.00 13.40 H new ATOM 0 HG22 ILE A 92 -18.773 20.110 -14.028 1.00 13.40 H new ATOM 0 HG23 ILE A 92 -18.360 21.739 -13.440 1.00 13.40 H new ATOM 0 HD11 ILE A 92 -14.195 22.073 -13.453 1.00 60.25 H new ATOM 0 HD12 ILE A 92 -14.625 20.487 -14.135 1.00 60.25 H new ATOM 0 HD13 ILE A 92 -15.647 21.905 -14.469 1.00 60.25 H new ATOM 1471 N ASP A 93 -20.053 19.273 -12.136 1.00 21.32 N ATOM 1472 CA ASP A 93 -21.143 18.349 -12.426 1.00 33.44 C ATOM 1473 C ASP A 93 -21.635 18.521 -13.859 1.00 54.42 C ATOM 1474 O ASP A 93 -21.983 19.625 -14.279 1.00 5.52 O ATOM 1475 CB ASP A 93 -22.298 18.566 -11.447 1.00 54.30 C ATOM 1476 CG ASP A 93 -22.085 17.847 -10.130 1.00 23.41 C ATOM 1477 OD1 ASP A 93 -21.211 16.956 -10.075 1.00 61.21 O ATOM 1478 OD2 ASP A 93 -22.791 18.175 -9.154 1.00 23.43 O1- ATOM 0 H ASP A 93 -20.287 20.257 -12.271 1.00 21.32 H new ATOM 0 HA ASP A 93 -20.765 17.333 -12.311 1.00 33.44 H new ATOM 0 HB2 ASP A 93 -22.416 19.633 -11.260 1.00 54.30 H new ATOM 0 HB3 ASP A 93 -23.226 18.218 -11.901 1.00 54.30 H new ATOM 1483 N VAL A 94 -21.662 17.423 -14.607 1.00 22.41 N ATOM 1484 CA VAL A 94 -22.111 17.452 -15.994 1.00 12.23 C ATOM 1485 C VAL A 94 -23.028 16.273 -16.300 1.00 24.14 C ATOM 1486 O VAL A 94 -23.299 15.441 -15.433 1.00 4.40 O ATOM 1487 CB VAL A 94 -20.920 17.430 -16.970 1.00 73.42 C ATOM 1488 CG1 VAL A 94 -20.108 18.710 -16.852 1.00 53.41 C ATOM 1489 CG2 VAL A 94 -20.047 16.210 -16.717 1.00 32.11 C ATOM 0 H VAL A 94 -21.378 16.501 -14.275 1.00 22.41 H new ATOM 0 HA VAL A 94 -22.664 18.382 -16.128 1.00 12.23 H new ATOM 0 HB VAL A 94 -21.308 17.367 -17.987 1.00 73.42 H new ATOM 0 HG11 VAL A 94 -19.271 18.676 -17.549 1.00 53.41 H new ATOM 0 HG12 VAL A 94 -20.741 19.566 -17.087 1.00 53.41 H new ATOM 0 HG13 VAL A 94 -19.729 18.808 -15.835 1.00 53.41 H new ATOM 0 HG21 VAL A 94 -19.210 16.210 -17.415 1.00 32.11 H new ATOM 0 HG22 VAL A 94 -19.667 16.240 -15.696 1.00 32.11 H new ATOM 0 HG23 VAL A 94 -20.637 15.305 -16.858 1.00 32.11 H new ATOM 1499 N LYS A 95 -23.503 16.206 -17.539 1.00 24.23 N ATOM 1500 CA LYS A 95 -24.388 15.127 -17.962 1.00 1.41 C ATOM 1501 C LYS A 95 -23.693 14.217 -18.969 1.00 71.41 C ATOM 1502 O LYS A 95 -23.859 12.997 -18.935 1.00 4.21 O ATOM 1503 CB LYS A 95 -25.667 15.701 -18.575 1.00 14.11 C ATOM 1504 CG LYS A 95 -26.935 15.242 -17.876 1.00 55.01 C ATOM 1505 CD LYS A 95 -27.364 16.223 -16.798 1.00 31.25 C ATOM 1506 CE LYS A 95 -28.211 17.348 -17.372 1.00 34.20 C ATOM 1507 NZ LYS A 95 -27.472 18.640 -17.400 1.00 51.12 N1+ ATOM 0 H LYS A 95 -23.290 16.887 -18.268 1.00 24.23 H new ATOM 0 HA LYS A 95 -24.646 14.536 -17.083 1.00 1.41 H new ATOM 0 HB2 LYS A 95 -25.618 16.789 -18.544 1.00 14.11 H new ATOM 0 HB3 LYS A 95 -25.717 15.414 -19.625 1.00 14.11 H new ATOM 0 HG2 LYS A 95 -27.735 15.131 -18.608 1.00 55.01 H new ATOM 0 HG3 LYS A 95 -26.772 14.260 -17.432 1.00 55.01 H new ATOM 0 HD2 LYS A 95 -27.930 15.696 -16.030 1.00 31.25 H new ATOM 0 HD3 LYS A 95 -26.482 16.641 -16.314 1.00 31.25 H new ATOM 0 HE2 LYS A 95 -28.524 17.087 -18.383 1.00 34.20 H new ATOM 0 HE3 LYS A 95 -29.117 17.461 -16.776 1.00 34.20 H new ATOM 0 HZ1 LYS A 95 -27.752 19.182 -18.243 1.00 51.12 H new ATOM 0 HZ2 LYS A 95 -27.698 19.188 -16.545 1.00 51.12 H new ATOM 0 HZ3 LYS A 95 -26.449 18.454 -17.432 1.00 51.12 H new ATOM 1521 N ASP A 96 -22.915 14.816 -19.863 1.00 41.23 N ATOM 1522 CA ASP A 96 -22.193 14.058 -20.879 1.00 3.53 C ATOM 1523 C ASP A 96 -20.779 14.603 -21.060 1.00 31.33 C ATOM 1524 O ASP A 96 -20.358 15.517 -20.351 1.00 12.43 O ATOM 1525 CB ASP A 96 -22.944 14.104 -22.210 1.00 33.41 C ATOM 1526 CG ASP A 96 -23.464 15.490 -22.535 1.00 10.33 C ATOM 1527 OD1 ASP A 96 -22.656 16.343 -22.958 1.00 3.32 O ATOM 1528 OD2 ASP A 96 -24.679 15.722 -22.366 1.00 53.35 O1- ATOM 0 H ASP A 96 -22.768 15.824 -19.905 1.00 41.23 H new ATOM 0 HA ASP A 96 -22.125 13.023 -20.545 1.00 3.53 H new ATOM 0 HB2 ASP A 96 -22.281 13.771 -23.009 1.00 33.41 H new ATOM 0 HB3 ASP A 96 -23.779 13.405 -22.177 1.00 33.41 H new ATOM 1533 N THR A 97 -20.049 14.033 -22.014 1.00 2.23 N ATOM 1534 CA THR A 97 -18.682 14.459 -22.287 1.00 0.13 C ATOM 1535 C THR A 97 -18.660 15.752 -23.094 1.00 62.11 C ATOM 1536 O THR A 97 -17.793 16.604 -22.898 1.00 12.23 O ATOM 1537 CB THR A 97 -17.898 13.376 -23.052 1.00 32.14 C ATOM 1538 OG1 THR A 97 -17.908 12.150 -22.312 1.00 71.21 O ATOM 1539 CG2 THR A 97 -16.462 13.816 -23.294 1.00 15.31 C ATOM 0 H THR A 97 -20.382 13.275 -22.610 1.00 2.23 H new ATOM 0 HA THR A 97 -18.205 14.628 -21.322 1.00 0.13 H new ATOM 0 HB THR A 97 -18.381 13.222 -24.017 1.00 32.14 H new ATOM 0 HG1 THR A 97 -18.826 11.812 -22.251 1.00 71.21 H new ATOM 0 HG21 THR A 97 -15.929 13.035 -23.836 1.00 15.31 H new ATOM 0 HG22 THR A 97 -16.457 14.734 -23.882 1.00 15.31 H new ATOM 0 HG23 THR A 97 -15.970 13.995 -22.338 1.00 15.31 H new ATOM 1547 N LYS A 98 -19.619 15.893 -24.003 1.00 65.32 N ATOM 1548 CA LYS A 98 -19.711 17.083 -24.840 1.00 51.01 C ATOM 1549 C LYS A 98 -19.754 18.346 -23.986 1.00 42.45 C ATOM 1550 O LYS A 98 -19.086 19.334 -24.291 1.00 54.30 O ATOM 1551 CB LYS A 98 -20.956 17.012 -25.728 1.00 1.15 C ATOM 1552 CG LYS A 98 -20.715 17.482 -27.152 1.00 30.42 C ATOM 1553 CD LYS A 98 -19.814 16.522 -27.910 1.00 44.04 C ATOM 1554 CE LYS A 98 -19.110 17.215 -29.068 1.00 34.24 C ATOM 1555 NZ LYS A 98 -20.048 17.521 -30.183 1.00 12.30 N1+ ATOM 0 H LYS A 98 -20.344 15.197 -24.179 1.00 65.32 H new ATOM 0 HA LYS A 98 -18.824 17.122 -25.472 1.00 51.01 H new ATOM 0 HB2 LYS A 98 -21.318 15.984 -25.750 1.00 1.15 H new ATOM 0 HB3 LYS A 98 -21.745 17.618 -25.283 1.00 1.15 H new ATOM 0 HG2 LYS A 98 -21.669 17.575 -27.672 1.00 30.42 H new ATOM 0 HG3 LYS A 98 -20.262 18.473 -27.137 1.00 30.42 H new ATOM 0 HD2 LYS A 98 -19.072 16.104 -27.230 1.00 44.04 H new ATOM 0 HD3 LYS A 98 -20.405 15.688 -28.289 1.00 44.04 H new ATOM 0 HE2 LYS A 98 -18.652 18.139 -28.714 1.00 34.24 H new ATOM 0 HE3 LYS A 98 -18.304 16.580 -29.435 1.00 34.24 H new ATOM 0 HZ1 LYS A 98 -19.531 17.992 -30.952 1.00 12.30 H new ATOM 0 HZ2 LYS A 98 -20.466 16.637 -30.538 1.00 12.30 H new ATOM 0 HZ3 LYS A 98 -20.804 18.148 -29.839 1.00 12.30 H new ATOM 1569 N GLU A 99 -20.542 18.306 -22.916 1.00 63.05 N ATOM 1570 CA GLU A 99 -20.670 19.448 -22.019 1.00 44.32 C ATOM 1571 C GLU A 99 -19.377 19.676 -21.241 1.00 31.14 C ATOM 1572 O GLU A 99 -18.827 20.777 -21.238 1.00 34.11 O ATOM 1573 CB GLU A 99 -21.832 19.234 -21.048 1.00 12.43 C ATOM 1574 CG GLU A 99 -22.871 20.342 -21.089 1.00 13.23 C ATOM 1575 CD GLU A 99 -23.876 20.241 -19.958 1.00 14.42 C ATOM 1576 OE1 GLU A 99 -24.324 19.114 -19.661 1.00 64.42 O ATOM 1577 OE2 GLU A 99 -24.216 21.289 -19.370 1.00 1.32 O1- ATOM 0 H GLU A 99 -21.101 17.495 -22.650 1.00 63.05 H new ATOM 0 HA GLU A 99 -20.870 20.332 -22.624 1.00 44.32 H new ATOM 0 HB2 GLU A 99 -22.316 18.285 -21.277 1.00 12.43 H new ATOM 0 HB3 GLU A 99 -21.438 19.154 -20.035 1.00 12.43 H new ATOM 0 HG2 GLU A 99 -22.369 21.308 -21.039 1.00 13.23 H new ATOM 0 HG3 GLU A 99 -23.398 20.306 -22.043 1.00 13.23 H new ATOM 1584 N ALA A 100 -18.898 18.626 -20.581 1.00 13.55 N ATOM 1585 CA ALA A 100 -17.671 18.711 -19.799 1.00 65.44 C ATOM 1586 C ALA A 100 -16.519 19.247 -20.643 1.00 22.41 C ATOM 1587 O ALA A 100 -15.697 20.029 -20.164 1.00 40.43 O ATOM 1588 CB ALA A 100 -17.316 17.347 -19.225 1.00 13.15 C ATOM 0 H ALA A 100 -19.341 17.707 -20.573 1.00 13.55 H new ATOM 0 HA ALA A 100 -17.840 19.407 -18.977 1.00 65.44 H new ATOM 0 HB1 ALA A 100 -16.398 17.425 -18.643 1.00 13.15 H new ATOM 0 HB2 ALA A 100 -18.125 17.001 -18.581 1.00 13.15 H new ATOM 0 HB3 ALA A 100 -17.171 16.636 -20.039 1.00 13.15 H new ATOM 1594 N LEU A 101 -16.464 18.820 -21.900 1.00 1.22 N ATOM 1595 CA LEU A 101 -15.412 19.257 -22.811 1.00 5.13 C ATOM 1596 C LEU A 101 -15.407 20.776 -22.948 1.00 44.25 C ATOM 1597 O LEU A 101 -14.354 21.412 -22.885 1.00 71.33 O ATOM 1598 CB LEU A 101 -15.597 18.610 -24.184 1.00 73.31 C ATOM 1599 CG LEU A 101 -15.119 17.163 -24.314 1.00 75.04 C ATOM 1600 CD1 LEU A 101 -15.688 16.524 -25.572 1.00 12.12 C ATOM 1601 CD2 LEU A 101 -13.599 17.102 -24.324 1.00 40.40 C ATOM 0 H LEU A 101 -17.136 18.172 -22.311 1.00 1.22 H new ATOM 0 HA LEU A 101 -14.454 18.945 -22.396 1.00 5.13 H new ATOM 0 HB2 LEU A 101 -16.656 18.646 -24.441 1.00 73.31 H new ATOM 0 HB3 LEU A 101 -15.069 19.214 -24.922 1.00 73.31 H new ATOM 0 HG LEU A 101 -15.479 16.603 -23.451 1.00 75.04 H new ATOM 0 HD11 LEU A 101 -15.337 15.495 -25.648 1.00 12.12 H new ATOM 0 HD12 LEU A 101 -16.777 16.534 -25.524 1.00 12.12 H new ATOM 0 HD13 LEU A 101 -15.358 17.085 -26.446 1.00 12.12 H new ATOM 0 HD21 LEU A 101 -13.277 16.065 -24.417 1.00 40.40 H new ATOM 0 HD22 LEU A 101 -13.217 17.678 -25.167 1.00 40.40 H new ATOM 0 HD23 LEU A 101 -13.212 17.520 -23.395 1.00 40.40 H new ATOM 1613 N ASP A 102 -16.589 21.352 -23.135 1.00 32.13 N ATOM 1614 CA ASP A 102 -16.722 22.797 -23.278 1.00 0.01 C ATOM 1615 C ASP A 102 -16.256 23.513 -22.014 1.00 40.43 C ATOM 1616 O ASP A 102 -15.640 24.577 -22.082 1.00 12.52 O ATOM 1617 CB ASP A 102 -18.173 23.169 -23.584 1.00 54.43 C ATOM 1618 CG ASP A 102 -18.282 24.395 -24.470 1.00 11.33 C ATOM 1619 OD1 ASP A 102 -18.038 24.271 -25.688 1.00 44.13 O ATOM 1620 OD2 ASP A 102 -18.612 25.479 -23.944 1.00 75.42 O1- ATOM 0 H ASP A 102 -17.469 20.840 -23.191 1.00 32.13 H new ATOM 0 HA ASP A 102 -16.091 23.115 -24.108 1.00 0.01 H new ATOM 0 HB2 ASP A 102 -18.666 22.327 -24.071 1.00 54.43 H new ATOM 0 HB3 ASP A 102 -18.703 23.352 -22.649 1.00 54.43 H new ATOM 1625 N LYS A 103 -16.555 22.924 -20.862 1.00 23.43 N ATOM 1626 CA LYS A 103 -16.167 23.504 -19.582 1.00 1.14 C ATOM 1627 C LYS A 103 -14.649 23.581 -19.457 1.00 23.04 C ATOM 1628 O LYS A 103 -14.114 24.491 -18.822 1.00 53.13 O ATOM 1629 CB LYS A 103 -16.743 22.679 -18.429 1.00 31.13 C ATOM 1630 CG LYS A 103 -18.261 22.623 -18.420 1.00 61.41 C ATOM 1631 CD LYS A 103 -18.859 23.822 -17.705 1.00 14.22 C ATOM 1632 CE LYS A 103 -18.824 23.645 -16.195 1.00 0.44 C ATOM 1633 NZ LYS A 103 -19.395 24.824 -15.485 1.00 24.53 N1+ ATOM 0 H LYS A 103 -17.066 22.044 -20.788 1.00 23.43 H new ATOM 0 HA LYS A 103 -16.570 24.516 -19.533 1.00 1.14 H new ATOM 0 HB2 LYS A 103 -16.351 21.664 -18.488 1.00 31.13 H new ATOM 0 HB3 LYS A 103 -16.398 23.099 -17.485 1.00 31.13 H new ATOM 0 HG2 LYS A 103 -18.631 22.588 -19.445 1.00 61.41 H new ATOM 0 HG3 LYS A 103 -18.589 21.706 -17.931 1.00 61.41 H new ATOM 0 HD2 LYS A 103 -18.309 24.722 -17.980 1.00 14.22 H new ATOM 0 HD3 LYS A 103 -19.889 23.965 -18.032 1.00 14.22 H new ATOM 0 HE2 LYS A 103 -19.383 22.750 -15.921 1.00 0.44 H new ATOM 0 HE3 LYS A 103 -17.795 23.489 -15.871 1.00 0.44 H new ATOM 0 HZ1 LYS A 103 -19.353 24.665 -14.458 1.00 24.53 H new ATOM 0 HZ2 LYS A 103 -18.846 25.674 -15.726 1.00 24.53 H new ATOM 0 HZ3 LYS A 103 -20.385 24.958 -15.774 1.00 24.53 H new ATOM 1647 N ILE A 104 -13.960 22.622 -20.066 1.00 71.20 N ATOM 1648 CA ILE A 104 -12.504 22.584 -20.024 1.00 64.54 C ATOM 1649 C ILE A 104 -11.899 23.515 -21.069 1.00 51.42 C ATOM 1650 O ILE A 104 -10.823 24.077 -20.865 1.00 73.24 O ATOM 1651 CB ILE A 104 -11.971 21.157 -20.256 1.00 11.01 C ATOM 1652 CG1 ILE A 104 -12.555 20.197 -19.218 1.00 33.51 C ATOM 1653 CG2 ILE A 104 -10.451 21.144 -20.201 1.00 62.23 C ATOM 1654 CD1 ILE A 104 -12.380 18.738 -19.578 1.00 64.11 C ATOM 0 H ILE A 104 -14.387 21.861 -20.594 1.00 71.20 H new ATOM 0 HA ILE A 104 -12.209 22.917 -19.029 1.00 64.54 H new ATOM 0 HB ILE A 104 -12.282 20.825 -21.247 1.00 11.01 H new ATOM 0 HG12 ILE A 104 -12.081 20.384 -18.254 1.00 33.51 H new ATOM 0 HG13 ILE A 104 -13.618 20.408 -19.097 1.00 33.51 H new ATOM 0 HG21 ILE A 104 -10.090 20.129 -20.367 1.00 62.23 H new ATOM 0 HG22 ILE A 104 -10.053 21.802 -20.974 1.00 62.23 H new ATOM 0 HG23 ILE A 104 -10.119 21.492 -19.223 1.00 62.23 H new ATOM 0 HD11 ILE A 104 -12.818 18.116 -18.797 1.00 64.11 H new ATOM 0 HD12 ILE A 104 -12.878 18.535 -20.526 1.00 64.11 H new ATOM 0 HD13 ILE A 104 -11.318 18.511 -19.670 1.00 64.11 H new ATOM 1666 N GLU A 105 -12.600 23.676 -22.187 1.00 41.03 N ATOM 1667 CA GLU A 105 -12.132 24.541 -23.264 1.00 10.43 C ATOM 1668 C GLU A 105 -12.332 26.011 -22.906 1.00 55.32 C ATOM 1669 O GLU A 105 -11.439 26.835 -23.100 1.00 71.25 O ATOM 1670 CB GLU A 105 -12.868 24.217 -24.565 1.00 61.24 C ATOM 1671 CG GLU A 105 -12.358 24.999 -25.764 1.00 61.11 C ATOM 1672 CD GLU A 105 -13.473 25.427 -26.699 1.00 23.14 C ATOM 1673 OE1 GLU A 105 -14.399 26.125 -26.237 1.00 53.11 O1- ATOM 1674 OE2 GLU A 105 -13.418 25.063 -27.892 1.00 42.43 O ATOM 0 H GLU A 105 -13.493 23.219 -22.371 1.00 41.03 H new ATOM 0 HA GLU A 105 -11.066 24.360 -23.404 1.00 10.43 H new ATOM 0 HB2 GLU A 105 -12.773 23.151 -24.770 1.00 61.24 H new ATOM 0 HB3 GLU A 105 -13.930 24.423 -24.433 1.00 61.24 H new ATOM 0 HG2 GLU A 105 -11.822 25.882 -25.416 1.00 61.11 H new ATOM 0 HG3 GLU A 105 -11.642 24.388 -26.314 1.00 61.11 H new