USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 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= -0.948 K(o=-2.5,f=-5.6!) USER MOD Set 1.2: A 79 TYR OH : rot 141:sc= -1.56 USER MOD Set 2.1: A 29 TYR OH : rot 164:sc= 1.04 USER MOD Set 2.2: A 97 THR OG1 : rot 40:sc= -0.183 USER MOD Single : A 9 SER OG : rot 180:sc= -0.541 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.0413 (180deg=0.0311) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.42) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-10!) USER MOD Single : A 38 SER OG : rot 77:sc= 0.519 USER MOD Single : A 47 ASN : amide:sc= -0.213 K(o=-0.21,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot -51:sc= 1.59 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.375 USER MOD Single : A 59 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.51) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 170:sc= -0.385 USER MOD Single : A 69 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.424 USER MOD Single : A 72 SER OG : rot 119:sc= 0.0729 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.993 K(o=-0.99,f=-5.5!) USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.267 USER MOD Single : A 86 TYR OH : rot 180:sc=-0.00835 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0355 USER MOD Single : A 89 HIS : +bothHN:sc= 0.408 K(o=0.41,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.142 5.621 -8.165 1.00 74.14 N ATOM 64 CA VAL A 7 -9.368 6.700 -9.120 1.00 63.44 C ATOM 65 C VAL A 7 -10.633 7.478 -8.781 1.00 23.05 C ATOM 66 O VAL A 7 -10.582 8.677 -8.502 1.00 22.22 O ATOM 67 CB VAL A 7 -9.478 6.162 -10.558 1.00 41.52 C ATOM 68 CG1 VAL A 7 -9.523 7.309 -11.556 1.00 51.20 C ATOM 69 CG2 VAL A 7 -8.323 5.221 -10.866 1.00 42.12 C ATOM 0 HA VAL A 7 -8.508 7.366 -9.054 1.00 63.44 H new ATOM 0 HB VAL A 7 -10.407 5.599 -10.646 1.00 41.52 H new ATOM 0 HG11 VAL A 7 -9.601 6.909 -12.567 1.00 51.20 H new ATOM 0 HG12 VAL A 7 -10.388 7.939 -11.348 1.00 51.20 H new ATOM 0 HG13 VAL A 7 -8.613 7.902 -11.470 1.00 51.20 H new ATOM 0 HG21 VAL A 7 -8.418 4.851 -11.887 1.00 42.12 H new ATOM 0 HG22 VAL A 7 -7.379 5.756 -10.760 1.00 42.12 H new ATOM 0 HG23 VAL A 7 -8.343 4.381 -10.172 1.00 42.12 H new ATOM 79 N LEU A 8 -11.769 6.791 -8.807 1.00 52.33 N ATOM 80 CA LEU A 8 -13.051 7.417 -8.502 1.00 51.52 C ATOM 81 C LEU A 8 -13.674 6.802 -7.253 1.00 1.44 C ATOM 82 O LEU A 8 -13.853 5.587 -7.171 1.00 43.22 O ATOM 83 CB LEU A 8 -14.006 7.273 -9.688 1.00 72.42 C ATOM 84 CG LEU A 8 -13.699 8.143 -10.907 1.00 33.13 C ATOM 85 CD1 LEU A 8 -14.729 7.910 -12.001 1.00 3.21 C ATOM 86 CD2 LEU A 8 -13.657 9.613 -10.516 1.00 11.33 C ATOM 0 H LEU A 8 -11.829 5.799 -9.036 1.00 52.33 H new ATOM 0 HA LEU A 8 -12.875 8.476 -8.313 1.00 51.52 H new ATOM 0 HB2 LEU A 8 -14.008 6.229 -10.003 1.00 72.42 H new ATOM 0 HB3 LEU A 8 -15.015 7.504 -9.346 1.00 72.42 H new ATOM 0 HG LEU A 8 -12.719 7.862 -11.293 1.00 33.13 H new ATOM 0 HD11 LEU A 8 -14.495 8.538 -12.861 1.00 3.21 H new ATOM 0 HD12 LEU A 8 -14.711 6.862 -12.301 1.00 3.21 H new ATOM 0 HD13 LEU A 8 -15.721 8.163 -11.627 1.00 3.21 H new ATOM 0 HD21 LEU A 8 -13.437 10.217 -11.396 1.00 11.33 H new ATOM 0 HD22 LEU A 8 -14.623 9.908 -10.105 1.00 11.33 H new ATOM 0 HD23 LEU A 8 -12.881 9.768 -9.766 1.00 11.33 H new ATOM 98 N SER A 9 -14.006 7.649 -6.284 1.00 11.21 N ATOM 99 CA SER A 9 -14.608 7.188 -5.039 1.00 11.24 C ATOM 100 C SER A 9 -16.087 6.867 -5.237 1.00 62.12 C ATOM 101 O SER A 9 -16.619 6.994 -6.339 1.00 2.34 O ATOM 102 CB SER A 9 -14.448 8.248 -3.947 1.00 2.23 C ATOM 103 OG SER A 9 -14.321 9.543 -4.508 1.00 4.33 O ATOM 0 H SER A 9 -13.868 8.658 -6.337 1.00 11.21 H new ATOM 0 HA SER A 9 -14.093 6.278 -4.731 1.00 11.24 H new ATOM 0 HB2 SER A 9 -15.310 8.220 -3.280 1.00 2.23 H new ATOM 0 HB3 SER A 9 -13.569 8.022 -3.343 1.00 2.23 H new ATOM 0 HG SER A 9 -14.222 10.202 -3.790 1.00 4.33 H new ATOM 109 N GLY A 10 -16.745 6.448 -4.160 1.00 21.03 N ATOM 110 CA GLY A 10 -18.155 6.115 -4.236 1.00 71.22 C ATOM 111 C GLY A 10 -18.985 7.235 -4.829 1.00 10.45 C ATOM 112 O GLY A 10 -19.782 7.012 -5.739 1.00 51.22 O ATOM 0 H GLY A 10 -16.327 6.333 -3.237 1.00 21.03 H new ATOM 0 HA2 GLY A 10 -18.281 5.216 -4.839 1.00 71.22 H new ATOM 0 HA3 GLY A 10 -18.525 5.883 -3.237 1.00 71.22 H new ATOM 116 N GLY A 11 -18.800 8.446 -4.311 1.00 41.43 N ATOM 117 CA GLY A 11 -19.546 9.588 -4.807 1.00 75.35 C ATOM 118 C GLY A 11 -19.269 9.871 -6.269 1.00 22.11 C ATOM 119 O GLY A 11 -20.195 10.029 -7.064 1.00 31.23 O ATOM 0 H GLY A 11 -18.147 8.656 -3.557 1.00 41.43 H new ATOM 0 HA2 GLY A 11 -20.612 9.408 -4.671 1.00 75.35 H new ATOM 0 HA3 GLY A 11 -19.293 10.468 -4.216 1.00 75.35 H new ATOM 123 N GLU A 12 -17.990 9.937 -6.626 1.00 42.14 N ATOM 124 CA GLU A 12 -17.594 10.206 -8.003 1.00 62.01 C ATOM 125 C GLU A 12 -18.138 9.134 -8.945 1.00 32.33 C ATOM 126 O GLU A 12 -18.645 9.441 -10.025 1.00 50.43 O ATOM 127 CB GLU A 12 -16.069 10.273 -8.116 1.00 55.23 C ATOM 128 CG GLU A 12 -15.418 11.138 -7.050 1.00 51.44 C ATOM 129 CD GLU A 12 -13.933 11.332 -7.284 1.00 2.04 C ATOM 130 OE1 GLU A 12 -13.159 10.395 -6.995 1.00 2.44 O ATOM 131 OE2 GLU A 12 -13.544 12.421 -7.756 1.00 53.01 O1- ATOM 0 H GLU A 12 -17.211 9.808 -5.981 1.00 42.14 H new ATOM 0 HA GLU A 12 -18.015 11.169 -8.293 1.00 62.01 H new ATOM 0 HB2 GLU A 12 -15.663 9.263 -8.051 1.00 55.23 H new ATOM 0 HB3 GLU A 12 -15.802 10.660 -9.099 1.00 55.23 H new ATOM 0 HG2 GLU A 12 -15.909 12.111 -7.027 1.00 51.44 H new ATOM 0 HG3 GLU A 12 -15.571 10.681 -6.073 1.00 51.44 H new ATOM 138 N LEU A 13 -18.028 7.878 -8.528 1.00 4.23 N ATOM 139 CA LEU A 13 -18.508 6.761 -9.333 1.00 44.51 C ATOM 140 C LEU A 13 -19.973 6.951 -9.712 1.00 21.23 C ATOM 141 O LEU A 13 -20.364 6.722 -10.856 1.00 5.43 O ATOM 142 CB LEU A 13 -18.334 5.445 -8.572 1.00 63.20 C ATOM 143 CG LEU A 13 -18.292 4.177 -9.424 1.00 40.23 C ATOM 144 CD1 LEU A 13 -17.799 2.996 -8.600 1.00 21.34 C ATOM 145 CD2 LEU A 13 -19.665 3.883 -10.011 1.00 41.13 C ATOM 0 H LEU A 13 -17.611 7.608 -7.637 1.00 4.23 H new ATOM 0 HA LEU A 13 -17.917 6.726 -10.248 1.00 44.51 H new ATOM 0 HB2 LEU A 13 -17.411 5.502 -7.995 1.00 63.20 H new ATOM 0 HB3 LEU A 13 -19.151 5.351 -7.857 1.00 63.20 H new ATOM 0 HG LEU A 13 -17.594 4.338 -10.246 1.00 40.23 H new ATOM 0 HD11 LEU A 13 -17.776 2.102 -9.223 1.00 21.34 H new ATOM 0 HD12 LEU A 13 -16.796 3.205 -8.228 1.00 21.34 H new ATOM 0 HD13 LEU A 13 -18.472 2.834 -7.758 1.00 21.34 H new ATOM 0 HD21 LEU A 13 -19.616 2.977 -10.615 1.00 41.13 H new ATOM 0 HD22 LEU A 13 -20.384 3.743 -9.203 1.00 41.13 H new ATOM 0 HD23 LEU A 13 -19.980 4.719 -10.636 1.00 41.13 H new ATOM 157 N ASP A 14 -20.778 7.376 -8.744 1.00 2.32 N ATOM 158 CA ASP A 14 -22.200 7.602 -8.977 1.00 2.22 C ATOM 159 C ASP A 14 -22.416 8.512 -10.181 1.00 1.43 C ATOM 160 O ASP A 14 -23.176 8.185 -11.093 1.00 4.30 O ATOM 161 CB ASP A 14 -22.851 8.214 -7.735 1.00 5.05 C ATOM 162 CG ASP A 14 -22.889 7.250 -6.567 1.00 61.31 C ATOM 163 OD1 ASP A 14 -23.083 6.040 -6.802 1.00 11.10 O1- ATOM 164 OD2 ASP A 14 -22.725 7.706 -5.415 1.00 32.35 O ATOM 0 H ASP A 14 -20.470 7.571 -7.791 1.00 2.32 H new ATOM 0 HA ASP A 14 -22.666 6.639 -9.185 1.00 2.22 H new ATOM 0 HB2 ASP A 14 -22.302 9.110 -7.445 1.00 5.05 H new ATOM 0 HB3 ASP A 14 -23.867 8.527 -7.977 1.00 5.05 H new ATOM 169 N LYS A 15 -21.743 9.658 -10.178 1.00 44.51 N ATOM 170 CA LYS A 15 -21.860 10.617 -11.271 1.00 74.43 C ATOM 171 C LYS A 15 -21.202 10.082 -12.538 1.00 24.22 C ATOM 172 O LYS A 15 -21.700 10.292 -13.644 1.00 72.01 O ATOM 173 CB LYS A 15 -21.221 11.950 -10.876 1.00 35.44 C ATOM 174 CG LYS A 15 -22.073 12.774 -9.925 1.00 20.32 C ATOM 175 CD LYS A 15 -21.629 12.596 -8.482 1.00 53.51 C ATOM 176 CE LYS A 15 -22.493 13.409 -7.529 1.00 44.02 C ATOM 177 NZ LYS A 15 -21.760 14.585 -6.985 1.00 73.21 N1+ ATOM 0 H LYS A 15 -21.111 9.945 -9.431 1.00 44.51 H new ATOM 0 HA LYS A 15 -22.920 10.773 -11.472 1.00 74.43 H new ATOM 0 HB2 LYS A 15 -20.255 11.756 -10.410 1.00 35.44 H new ATOM 0 HB3 LYS A 15 -21.029 12.533 -11.777 1.00 35.44 H new ATOM 0 HG2 LYS A 15 -22.010 13.827 -10.199 1.00 20.32 H new ATOM 0 HG3 LYS A 15 -23.118 12.480 -10.024 1.00 20.32 H new ATOM 0 HD2 LYS A 15 -21.680 11.541 -8.212 1.00 53.51 H new ATOM 0 HD3 LYS A 15 -20.587 12.901 -8.380 1.00 53.51 H new ATOM 0 HE2 LYS A 15 -23.389 13.748 -8.050 1.00 44.02 H new ATOM 0 HE3 LYS A 15 -22.823 12.774 -6.707 1.00 44.02 H new ATOM 0 HZ1 LYS A 15 -22.330 15.035 -6.241 1.00 73.21 H new ATOM 0 HZ2 LYS A 15 -20.852 14.273 -6.585 1.00 73.21 H new ATOM 0 HZ3 LYS A 15 -21.585 15.269 -7.749 1.00 73.21 H new ATOM 191 N TRP A 16 -20.080 9.390 -12.370 1.00 75.21 N ATOM 192 CA TRP A 16 -19.355 8.824 -13.501 1.00 53.25 C ATOM 193 C TRP A 16 -20.243 7.873 -14.297 1.00 70.24 C ATOM 194 O TRP A 16 -20.377 8.008 -15.512 1.00 53.14 O ATOM 195 CB TRP A 16 -18.105 8.087 -13.014 1.00 11.01 C ATOM 196 CG TRP A 16 -17.406 7.324 -14.098 1.00 52.30 C ATOM 197 CD1 TRP A 16 -17.557 5.999 -14.396 1.00 21.55 C ATOM 198 CD2 TRP A 16 -16.445 7.839 -15.026 1.00 33.43 C ATOM 199 NE1 TRP A 16 -16.747 5.661 -15.453 1.00 41.42 N ATOM 200 CE2 TRP A 16 -16.056 6.772 -15.859 1.00 63.42 C ATOM 201 CE3 TRP A 16 -15.878 9.099 -15.236 1.00 1.12 C ATOM 202 CZ2 TRP A 16 -15.125 6.927 -16.882 1.00 20.02 C ATOM 203 CZ3 TRP A 16 -14.953 9.252 -16.252 1.00 1.43 C ATOM 204 CH2 TRP A 16 -14.585 8.172 -17.065 1.00 1.43 C ATOM 0 H TRP A 16 -19.653 9.208 -11.462 1.00 75.21 H new ATOM 0 HA TRP A 16 -19.055 9.643 -14.155 1.00 53.25 H new ATOM 0 HB2 TRP A 16 -17.412 8.809 -12.582 1.00 11.01 H new ATOM 0 HB3 TRP A 16 -18.385 7.398 -12.217 1.00 11.01 H new ATOM 0 HD1 TRP A 16 -18.216 5.318 -13.877 1.00 21.55 H new ATOM 0 HE1 TRP A 16 -16.672 4.732 -15.868 1.00 41.42 H new ATOM 0 HE3 TRP A 16 -16.157 9.938 -14.616 1.00 1.12 H new ATOM 0 HZ2 TRP A 16 -14.839 6.095 -17.509 1.00 20.02 H new ATOM 0 HZ3 TRP A 16 -14.506 10.221 -16.422 1.00 1.43 H new ATOM 0 HH2 TRP A 16 -13.861 8.324 -17.852 1.00 1.43 H new ATOM 215 N GLU A 17 -20.847 6.914 -13.602 1.00 45.51 N ATOM 216 CA GLU A 17 -21.722 5.940 -14.246 1.00 24.34 C ATOM 217 C GLU A 17 -22.914 6.632 -14.903 1.00 72.25 C ATOM 218 O GLU A 17 -23.496 6.118 -15.858 1.00 45.42 O ATOM 219 CB GLU A 17 -22.214 4.910 -13.228 1.00 64.32 C ATOM 220 CG GLU A 17 -21.434 3.607 -13.256 1.00 62.34 C ATOM 221 CD GLU A 17 -22.317 2.393 -13.037 1.00 21.31 C ATOM 222 OE1 GLU A 17 -23.163 2.111 -13.910 1.00 54.34 O1- ATOM 223 OE2 GLU A 17 -22.160 1.728 -11.992 1.00 2.50 O ATOM 0 H GLU A 17 -20.747 6.790 -12.594 1.00 45.51 H new ATOM 0 HA GLU A 17 -21.148 5.429 -15.019 1.00 24.34 H new ATOM 0 HB2 GLU A 17 -22.151 5.340 -12.229 1.00 64.32 H new ATOM 0 HB3 GLU A 17 -23.266 4.698 -13.418 1.00 64.32 H new ATOM 0 HG2 GLU A 17 -20.925 3.513 -14.215 1.00 62.34 H new ATOM 0 HG3 GLU A 17 -20.662 3.634 -12.487 1.00 62.34 H new ATOM 230 N LYS A 18 -23.273 7.801 -14.382 1.00 44.14 N ATOM 231 CA LYS A 18 -24.393 8.565 -14.916 1.00 53.41 C ATOM 232 C LYS A 18 -24.018 9.234 -16.234 1.00 61.03 C ATOM 233 O LYS A 18 -24.734 9.113 -17.228 1.00 52.22 O ATOM 234 CB LYS A 18 -24.845 9.621 -13.905 1.00 1.23 C ATOM 235 CG LYS A 18 -26.353 9.700 -13.740 1.00 20.55 C ATOM 236 CD LYS A 18 -26.765 10.951 -12.981 1.00 12.24 C ATOM 237 CE LYS A 18 -27.754 10.628 -11.871 1.00 24.24 C ATOM 238 NZ LYS A 18 -27.067 10.161 -10.636 1.00 64.54 N1+ ATOM 0 H LYS A 18 -22.803 8.240 -13.590 1.00 44.14 H new ATOM 0 HA LYS A 18 -25.215 7.874 -15.102 1.00 53.41 H new ATOM 0 HB2 LYS A 18 -24.393 9.402 -12.937 1.00 1.23 H new ATOM 0 HB3 LYS A 18 -24.471 10.596 -14.219 1.00 1.23 H new ATOM 0 HG2 LYS A 18 -26.828 9.695 -14.721 1.00 20.55 H new ATOM 0 HG3 LYS A 18 -26.709 8.817 -13.209 1.00 20.55 H new ATOM 0 HD2 LYS A 18 -25.882 11.428 -12.556 1.00 12.24 H new ATOM 0 HD3 LYS A 18 -27.212 11.666 -13.671 1.00 12.24 H new ATOM 0 HE2 LYS A 18 -28.347 11.514 -11.644 1.00 24.24 H new ATOM 0 HE3 LYS A 18 -28.447 9.860 -12.214 1.00 24.24 H new ATOM 0 HZ1 LYS A 18 -27.775 9.951 -9.903 1.00 64.54 H new ATOM 0 HZ2 LYS A 18 -26.521 9.301 -10.846 1.00 64.54 H new ATOM 0 HZ3 LYS A 18 -26.425 10.904 -10.294 1.00 64.54 H new ATOM 252 N ILE A 19 -22.891 9.939 -16.234 1.00 53.43 N ATOM 253 CA ILE A 19 -22.420 10.625 -17.431 1.00 40.32 C ATOM 254 C ILE A 19 -22.374 9.677 -18.625 1.00 33.13 C ATOM 255 O ILE A 19 -21.999 8.513 -18.493 1.00 51.14 O ATOM 256 CB ILE A 19 -21.021 11.231 -17.217 1.00 70.01 C ATOM 257 CG1 ILE A 19 -21.043 12.219 -16.049 1.00 43.15 C ATOM 258 CG2 ILE A 19 -20.542 11.917 -18.489 1.00 74.41 C ATOM 259 CD1 ILE A 19 -19.861 12.075 -15.115 1.00 25.43 C ATOM 0 H ILE A 19 -22.288 10.050 -15.419 1.00 53.43 H new ATOM 0 HA ILE A 19 -23.128 11.428 -17.635 1.00 40.32 H new ATOM 0 HB ILE A 19 -20.325 10.427 -16.976 1.00 70.01 H new ATOM 0 HG12 ILE A 19 -21.063 13.235 -16.443 1.00 43.15 H new ATOM 0 HG13 ILE A 19 -21.963 12.079 -15.482 1.00 43.15 H new ATOM 0 HG21 ILE A 19 -19.552 12.341 -18.323 1.00 74.41 H new ATOM 0 HG22 ILE A 19 -20.494 11.189 -19.299 1.00 74.41 H new ATOM 0 HG23 ILE A 19 -21.237 12.713 -18.757 1.00 74.41 H new ATOM 0 HD11 ILE A 19 -19.942 12.806 -14.311 1.00 25.43 H new ATOM 0 HD12 ILE A 19 -19.852 11.070 -14.692 1.00 25.43 H new ATOM 0 HD13 ILE A 19 -18.937 12.245 -15.668 1.00 25.43 H new ATOM 271 N ARG A 20 -22.757 10.186 -19.791 1.00 1.53 N ATOM 272 CA ARG A 20 -22.760 9.386 -21.010 1.00 1.23 C ATOM 273 C ARG A 20 -21.598 9.777 -21.919 1.00 1.31 C ATOM 274 O ARG A 20 -21.110 10.907 -21.870 1.00 12.40 O ATOM 275 CB ARG A 20 -24.085 9.557 -21.756 1.00 71.41 C ATOM 276 CG ARG A 20 -25.307 9.439 -20.860 1.00 41.41 C ATOM 277 CD ARG A 20 -26.574 9.222 -21.673 1.00 51.02 C ATOM 278 NE ARG A 20 -27.704 9.976 -21.136 1.00 41.13 N ATOM 279 CZ ARG A 20 -28.909 9.990 -21.694 1.00 20.43 C ATOM 280 NH1 ARG A 20 -29.140 9.296 -22.799 1.00 43.24 N1+ ATOM 281 NH2 ARG A 20 -29.887 10.700 -21.146 1.00 74.42 N ATOM 0 H ARG A 20 -23.069 11.149 -19.918 1.00 1.53 H new ATOM 0 HA ARG A 20 -22.643 8.340 -20.728 1.00 1.23 H new ATOM 0 HB2 ARG A 20 -24.095 10.532 -22.243 1.00 71.41 H new ATOM 0 HB3 ARG A 20 -24.148 8.806 -22.544 1.00 71.41 H new ATOM 0 HG2 ARG A 20 -25.172 8.609 -20.166 1.00 41.41 H new ATOM 0 HG3 ARG A 20 -25.409 10.343 -20.260 1.00 41.41 H new ATOM 0 HD2 ARG A 20 -26.397 9.520 -22.706 1.00 51.02 H new ATOM 0 HD3 ARG A 20 -26.820 8.160 -21.685 1.00 51.02 H new ATOM 0 HE ARG A 20 -27.560 10.521 -20.286 1.00 41.13 H new ATOM 0 HH11 ARG A 20 -28.391 8.749 -23.224 1.00 43.24 H new ATOM 0 HH12 ARG A 20 -30.067 9.309 -23.225 1.00 43.24 H new ATOM 0 HH21 ARG A 20 -29.714 11.236 -20.295 1.00 74.42 H new ATOM 0 HH22 ARG A 20 -30.812 10.710 -21.575 1.00 74.42 H new ATOM 295 N LEU A 21 -21.159 8.835 -22.748 1.00 31.51 N ATOM 296 CA LEU A 21 -20.055 9.080 -23.668 1.00 23.32 C ATOM 297 C LEU A 21 -20.458 10.077 -24.750 1.00 31.44 C ATOM 298 O LEU A 21 -19.617 10.794 -25.292 1.00 31.01 O ATOM 299 CB LEU A 21 -19.600 7.769 -24.311 1.00 72.42 C ATOM 300 CG LEU A 21 -19.326 6.610 -23.351 1.00 20.12 C ATOM 301 CD1 LEU A 21 -19.833 5.302 -23.937 1.00 73.14 C ATOM 302 CD2 LEU A 21 -17.841 6.517 -23.037 1.00 43.24 C ATOM 0 H LEU A 21 -21.551 7.895 -22.801 1.00 31.51 H new ATOM 0 HA LEU A 21 -19.228 9.504 -23.099 1.00 23.32 H new ATOM 0 HB2 LEU A 21 -20.363 7.453 -25.022 1.00 72.42 H new ATOM 0 HB3 LEU A 21 -18.692 7.964 -24.882 1.00 72.42 H new ATOM 0 HG LEU A 21 -19.861 6.799 -22.420 1.00 20.12 H new ATOM 0 HD11 LEU A 21 -19.630 4.488 -23.241 1.00 73.14 H new ATOM 0 HD12 LEU A 21 -20.907 5.373 -24.109 1.00 73.14 H new ATOM 0 HD13 LEU A 21 -19.326 5.106 -24.882 1.00 73.14 H new ATOM 0 HD21 LEU A 21 -17.665 5.687 -22.353 1.00 43.24 H new ATOM 0 HD22 LEU A 21 -17.284 6.351 -23.959 1.00 43.24 H new ATOM 0 HD23 LEU A 21 -17.508 7.446 -22.574 1.00 43.24 H new ATOM 314 N ARG A 22 -21.750 10.118 -25.058 1.00 74.14 N ATOM 315 CA ARG A 22 -22.266 11.027 -26.074 1.00 72.13 C ATOM 316 C ARG A 22 -23.536 11.721 -25.589 1.00 43.42 C ATOM 317 O ARG A 22 -24.212 11.259 -24.670 1.00 41.32 O ATOM 318 CB ARG A 22 -22.550 10.268 -27.371 1.00 45.12 C ATOM 319 CG ARG A 22 -21.400 10.309 -28.365 1.00 51.45 C ATOM 320 CD ARG A 22 -21.831 9.813 -29.737 1.00 71.10 C ATOM 321 NE ARG A 22 -21.941 8.357 -29.783 1.00 0.12 N ATOM 322 CZ ARG A 22 -22.063 7.665 -30.910 1.00 64.21 C ATOM 323 NH1 ARG A 22 -22.089 8.292 -32.078 1.00 30.43 N1+ ATOM 324 NH2 ARG A 22 -22.157 6.342 -30.871 1.00 11.41 N ATOM 0 H ARG A 22 -22.459 9.532 -24.618 1.00 74.14 H new ATOM 0 HA ARG A 22 -21.508 11.787 -26.264 1.00 72.13 H new ATOM 0 HB2 ARG A 22 -22.776 9.229 -27.132 1.00 45.12 H new ATOM 0 HB3 ARG A 22 -23.440 10.688 -27.840 1.00 45.12 H new ATOM 0 HG2 ARG A 22 -21.025 11.329 -28.447 1.00 51.45 H new ATOM 0 HG3 ARG A 22 -20.578 9.696 -27.997 1.00 51.45 H new ATOM 0 HD2 ARG A 22 -22.791 10.258 -29.998 1.00 71.10 H new ATOM 0 HD3 ARG A 22 -21.112 10.146 -30.485 1.00 71.10 H new ATOM 0 HE ARG A 22 -21.923 7.844 -28.902 1.00 0.12 H new ATOM 0 HH11 ARG A 22 -22.015 9.309 -32.113 1.00 30.43 H new ATOM 0 HH12 ARG A 22 -22.183 7.758 -32.942 1.00 30.43 H new ATOM 0 HH21 ARG A 22 -22.136 5.855 -29.975 1.00 11.41 H new ATOM 0 HH22 ARG A 22 -22.251 5.812 -31.737 1.00 11.41 H new ATOM 338 N PRO A 23 -23.868 12.857 -26.221 1.00 42.24 N ATOM 339 CA PRO A 23 -25.057 13.637 -25.871 1.00 13.44 C ATOM 340 C PRO A 23 -26.351 12.929 -26.259 1.00 12.23 C ATOM 341 O PRO A 23 -27.300 12.879 -25.478 1.00 12.44 O ATOM 342 CB PRO A 23 -24.889 14.924 -26.684 1.00 22.12 C ATOM 343 CG PRO A 23 -24.033 14.532 -27.839 1.00 13.12 C ATOM 344 CD PRO A 23 -23.107 13.464 -27.326 1.00 32.31 C ATOM 0 HA PRO A 23 -25.134 13.801 -24.796 1.00 13.44 H new ATOM 0 HB2 PRO A 23 -25.852 15.310 -27.018 1.00 22.12 H new ATOM 0 HB3 PRO A 23 -24.419 15.709 -26.091 1.00 22.12 H new ATOM 0 HG2 PRO A 23 -24.639 14.159 -28.665 1.00 13.12 H new ATOM 0 HG3 PRO A 23 -23.472 15.387 -28.216 1.00 13.12 H new ATOM 0 HD2 PRO A 23 -22.868 12.733 -28.099 1.00 32.31 H new ATOM 0 HD3 PRO A 23 -22.162 13.883 -26.981 1.00 32.31 H new ATOM 352 N GLY A 24 -26.380 12.381 -27.470 1.00 51.41 N ATOM 353 CA GLY A 24 -27.562 11.681 -27.939 1.00 73.41 C ATOM 354 C GLY A 24 -27.329 10.192 -28.101 1.00 75.22 C ATOM 355 O GLY A 24 -27.819 9.579 -29.048 1.00 12.42 O ATOM 0 H GLY A 24 -25.607 12.409 -28.134 1.00 51.41 H new ATOM 0 HA2 GLY A 24 -28.379 11.843 -27.236 1.00 73.41 H new ATOM 0 HA3 GLY A 24 -27.875 12.103 -28.894 1.00 73.41 H new ATOM 359 N GLY A 25 -26.577 9.608 -27.173 1.00 62.21 N ATOM 360 CA GLY A 25 -26.291 8.187 -27.235 1.00 10.14 C ATOM 361 C GLY A 25 -27.258 7.364 -26.407 1.00 63.04 C ATOM 362 O GLY A 25 -28.178 7.905 -25.795 1.00 54.31 O ATOM 0 H GLY A 25 -26.161 10.094 -26.379 1.00 62.21 H new ATOM 0 HA2 GLY A 25 -26.333 7.856 -28.273 1.00 10.14 H new ATOM 0 HA3 GLY A 25 -25.274 8.009 -26.885 1.00 10.14 H new ATOM 366 N LYS A 26 -27.049 6.052 -26.388 1.00 14.44 N ATOM 367 CA LYS A 26 -27.909 5.151 -25.629 1.00 0.33 C ATOM 368 C LYS A 26 -27.096 4.333 -24.632 1.00 25.22 C ATOM 369 O LYS A 26 -27.490 3.233 -24.247 1.00 62.23 O ATOM 370 CB LYS A 26 -28.665 4.215 -26.576 1.00 3.34 C ATOM 371 CG LYS A 26 -29.966 3.687 -25.999 1.00 43.44 C ATOM 372 CD LYS A 26 -29.961 2.170 -25.910 1.00 50.01 C ATOM 373 CE LYS A 26 -30.617 1.685 -24.626 1.00 42.40 C ATOM 374 NZ LYS A 26 -32.095 1.867 -24.655 1.00 41.31 N1+ ATOM 0 H LYS A 26 -26.291 5.589 -26.890 1.00 14.44 H new ATOM 0 HA LYS A 26 -28.627 5.756 -25.076 1.00 0.33 H new ATOM 0 HB2 LYS A 26 -28.878 4.745 -27.504 1.00 3.34 H new ATOM 0 HB3 LYS A 26 -28.022 3.373 -26.831 1.00 3.34 H new ATOM 0 HG2 LYS A 26 -30.123 4.110 -25.007 1.00 43.44 H new ATOM 0 HG3 LYS A 26 -30.800 4.013 -26.621 1.00 43.44 H new ATOM 0 HD2 LYS A 26 -30.487 1.752 -26.769 1.00 50.01 H new ATOM 0 HD3 LYS A 26 -28.935 1.805 -25.956 1.00 50.01 H new ATOM 0 HE2 LYS A 26 -30.384 0.631 -24.475 1.00 42.40 H new ATOM 0 HE3 LYS A 26 -30.201 2.228 -23.778 1.00 42.40 H new ATOM 0 HZ1 LYS A 26 -32.505 1.525 -23.762 1.00 41.31 H new ATOM 0 HZ2 LYS A 26 -32.318 2.876 -24.774 1.00 41.31 H new ATOM 0 HZ3 LYS A 26 -32.496 1.328 -25.449 1.00 41.31 H new ATOM 388 N LYS A 27 -25.958 4.879 -24.214 1.00 4.05 N ATOM 389 CA LYS A 27 -25.089 4.204 -23.259 1.00 53.54 C ATOM 390 C LYS A 27 -24.481 5.199 -22.276 1.00 0.14 C ATOM 391 O LYS A 27 -24.422 6.397 -22.551 1.00 45.23 O ATOM 392 CB LYS A 27 -23.977 3.451 -23.994 1.00 61.30 C ATOM 393 CG LYS A 27 -24.290 1.985 -24.235 1.00 61.55 C ATOM 394 CD LYS A 27 -23.158 1.088 -23.760 1.00 12.33 C ATOM 395 CE LYS A 27 -23.585 -0.371 -23.719 1.00 72.53 C ATOM 396 NZ LYS A 27 -23.208 -1.096 -24.963 1.00 64.33 N1+ ATOM 0 H LYS A 27 -25.617 5.789 -24.523 1.00 4.05 H new ATOM 0 HA LYS A 27 -25.693 3.491 -22.698 1.00 53.54 H new ATOM 0 HB2 LYS A 27 -23.793 3.937 -24.952 1.00 61.30 H new ATOM 0 HB3 LYS A 27 -23.056 3.527 -23.416 1.00 61.30 H new ATOM 0 HG2 LYS A 27 -25.210 1.718 -23.715 1.00 61.55 H new ATOM 0 HG3 LYS A 27 -24.465 1.819 -25.298 1.00 61.55 H new ATOM 0 HD2 LYS A 27 -22.301 1.199 -24.424 1.00 12.33 H new ATOM 0 HD3 LYS A 27 -22.835 1.402 -22.767 1.00 12.33 H new ATOM 0 HE2 LYS A 27 -23.124 -0.860 -22.860 1.00 72.53 H new ATOM 0 HE3 LYS A 27 -24.664 -0.429 -23.578 1.00 72.53 H new ATOM 0 HZ1 LYS A 27 -23.517 -2.087 -24.895 1.00 64.33 H new ATOM 0 HZ2 LYS A 27 -23.668 -0.646 -25.780 1.00 64.33 H new ATOM 0 HZ3 LYS A 27 -22.176 -1.063 -25.085 1.00 64.33 H new ATOM 410 N GLN A 28 -24.032 4.695 -21.132 1.00 41.34 N ATOM 411 CA GLN A 28 -23.428 5.541 -20.109 1.00 0.25 C ATOM 412 C GLN A 28 -21.954 5.195 -19.917 1.00 15.15 C ATOM 413 O GLN A 28 -21.423 4.308 -20.586 1.00 71.33 O ATOM 414 CB GLN A 28 -24.177 5.390 -18.785 1.00 50.55 C ATOM 415 CG GLN A 28 -25.689 5.428 -18.933 1.00 74.32 C ATOM 416 CD GLN A 28 -26.298 4.046 -19.069 1.00 70.13 C ATOM 417 OE1 GLN A 28 -26.010 3.149 -18.276 1.00 54.23 O ATOM 418 NE2 GLN A 28 -27.143 3.868 -20.076 1.00 54.21 N ATOM 0 H GLN A 28 -24.075 3.705 -20.890 1.00 41.34 H new ATOM 0 HA GLN A 28 -23.499 6.577 -20.441 1.00 0.25 H new ATOM 0 HB2 GLN A 28 -23.890 4.447 -18.320 1.00 50.55 H new ATOM 0 HB3 GLN A 28 -23.866 6.186 -18.109 1.00 50.55 H new ATOM 0 HG2 GLN A 28 -26.122 5.928 -18.067 1.00 74.32 H new ATOM 0 HG3 GLN A 28 -25.950 6.023 -19.808 1.00 74.32 H new ATOM 0 HE21 GLN A 28 -27.352 4.640 -20.709 1.00 54.21 H new ATOM 0 HE22 GLN A 28 -27.583 2.959 -20.218 1.00 54.21 H new ATOM 427 N TYR A 29 -21.301 5.902 -19.001 1.00 54.34 N ATOM 428 CA TYR A 29 -19.889 5.672 -18.723 1.00 43.31 C ATOM 429 C TYR A 29 -19.708 4.515 -17.745 1.00 4.01 C ATOM 430 O TYR A 29 -20.565 4.260 -16.899 1.00 15.24 O ATOM 431 CB TYR A 29 -19.247 6.938 -18.156 1.00 25.34 C ATOM 432 CG TYR A 29 -18.491 7.747 -19.187 1.00 60.33 C ATOM 433 CD1 TYR A 29 -17.234 7.347 -19.626 1.00 30.12 C ATOM 434 CD2 TYR A 29 -19.032 8.910 -19.720 1.00 3.20 C ATOM 435 CE1 TYR A 29 -16.540 8.082 -20.567 1.00 22.23 C ATOM 436 CE2 TYR A 29 -18.345 9.650 -20.662 1.00 21.24 C ATOM 437 CZ TYR A 29 -17.099 9.233 -21.083 1.00 34.43 C ATOM 438 OH TYR A 29 -16.411 9.970 -22.020 1.00 42.11 O ATOM 0 H TYR A 29 -21.727 6.639 -18.439 1.00 54.34 H new ATOM 0 HA TYR A 29 -19.398 5.412 -19.661 1.00 43.31 H new ATOM 0 HB2 TYR A 29 -20.023 7.563 -17.714 1.00 25.34 H new ATOM 0 HB3 TYR A 29 -18.565 6.661 -17.352 1.00 25.34 H new ATOM 0 HD1 TYR A 29 -16.793 6.447 -19.225 1.00 30.12 H new ATOM 0 HD2 TYR A 29 -20.006 9.241 -19.392 1.00 3.20 H new ATOM 0 HE1 TYR A 29 -15.564 7.757 -20.897 1.00 22.23 H new ATOM 0 HE2 TYR A 29 -18.781 10.551 -21.067 1.00 21.24 H new ATOM 0 HH TYR A 29 -17.026 10.591 -22.464 1.00 42.11 H new ATOM 448 N LYS A 30 -18.584 3.816 -17.866 1.00 11.10 N ATOM 449 CA LYS A 30 -18.286 2.687 -16.993 1.00 4.34 C ATOM 450 C LYS A 30 -16.781 2.518 -16.817 1.00 64.21 C ATOM 451 O LYS A 30 -15.988 3.144 -17.522 1.00 20.43 O ATOM 452 CB LYS A 30 -18.891 1.402 -17.563 1.00 32.04 C ATOM 453 CG LYS A 30 -19.836 0.698 -16.604 1.00 43.22 C ATOM 454 CD LYS A 30 -20.517 -0.490 -17.264 1.00 64.45 C ATOM 455 CE LYS A 30 -21.716 -0.963 -16.458 1.00 51.41 C ATOM 456 NZ LYS A 30 -22.000 -2.409 -16.681 1.00 25.44 N1+ ATOM 0 H LYS A 30 -17.864 4.012 -18.561 1.00 11.10 H new ATOM 0 HA LYS A 30 -18.728 2.888 -16.017 1.00 4.34 H new ATOM 0 HB2 LYS A 30 -19.429 1.639 -18.481 1.00 32.04 H new ATOM 0 HB3 LYS A 30 -18.085 0.719 -17.833 1.00 32.04 H new ATOM 0 HG2 LYS A 30 -19.282 0.361 -15.728 1.00 43.22 H new ATOM 0 HG3 LYS A 30 -20.590 1.402 -16.253 1.00 43.22 H new ATOM 0 HD2 LYS A 30 -20.838 -0.215 -18.269 1.00 64.45 H new ATOM 0 HD3 LYS A 30 -19.803 -1.307 -17.370 1.00 64.45 H new ATOM 0 HE2 LYS A 30 -21.533 -0.788 -15.398 1.00 51.41 H new ATOM 0 HE3 LYS A 30 -22.592 -0.375 -16.731 1.00 51.41 H new ATOM 0 HZ1 LYS A 30 -22.824 -2.692 -16.114 1.00 25.44 H new ATOM 0 HZ2 LYS A 30 -22.200 -2.572 -17.688 1.00 25.44 H new ATOM 0 HZ3 LYS A 30 -21.174 -2.973 -16.397 1.00 25.44 H new ATOM 470 N LEU A 31 -16.392 1.667 -15.874 1.00 43.45 N ATOM 471 CA LEU A 31 -14.980 1.413 -15.607 1.00 12.22 C ATOM 472 C LEU A 31 -14.248 1.010 -16.883 1.00 62.42 C ATOM 473 O LEU A 31 -13.047 1.244 -17.023 1.00 72.32 O ATOM 474 CB LEU A 31 -14.830 0.317 -14.550 1.00 24.02 C ATOM 475 CG LEU A 31 -14.567 0.794 -13.121 1.00 54.21 C ATOM 476 CD1 LEU A 31 -15.618 1.808 -12.695 1.00 11.51 C ATOM 477 CD2 LEU A 31 -14.542 -0.386 -12.161 1.00 4.42 C ATOM 0 H LEU A 31 -17.034 1.141 -15.281 1.00 43.45 H new ATOM 0 HA LEU A 31 -14.535 2.334 -15.231 1.00 12.22 H new ATOM 0 HB2 LEU A 31 -15.738 -0.286 -14.549 1.00 24.02 H new ATOM 0 HB3 LEU A 31 -14.012 -0.339 -14.849 1.00 24.02 H new ATOM 0 HG LEU A 31 -13.591 1.279 -13.094 1.00 54.21 H new ATOM 0 HD11 LEU A 31 -15.415 2.136 -11.676 1.00 11.51 H new ATOM 0 HD12 LEU A 31 -15.588 2.667 -13.366 1.00 11.51 H new ATOM 0 HD13 LEU A 31 -16.605 1.348 -12.738 1.00 11.51 H new ATOM 0 HD21 LEU A 31 -14.354 -0.028 -11.149 1.00 4.42 H new ATOM 0 HD22 LEU A 31 -15.503 -0.900 -12.191 1.00 4.42 H new ATOM 0 HD23 LEU A 31 -13.752 -1.077 -12.454 1.00 4.42 H new ATOM 489 N LYS A 32 -14.979 0.404 -17.812 1.00 10.32 N ATOM 490 CA LYS A 32 -14.401 -0.029 -19.078 1.00 14.43 C ATOM 491 C LYS A 32 -13.651 1.114 -19.754 1.00 34.22 C ATOM 492 O LYS A 32 -12.679 0.891 -20.476 1.00 54.13 O ATOM 493 CB LYS A 32 -15.497 -0.554 -20.010 1.00 73.50 C ATOM 494 CG LYS A 32 -16.177 -1.813 -19.500 1.00 63.44 C ATOM 495 CD LYS A 32 -17.356 -2.203 -20.374 1.00 11.35 C ATOM 496 CE LYS A 32 -16.991 -3.322 -21.337 1.00 2.34 C ATOM 497 NZ LYS A 32 -18.069 -3.569 -22.335 1.00 24.31 N1+ ATOM 0 H LYS A 32 -15.974 0.202 -17.712 1.00 10.32 H new ATOM 0 HA LYS A 32 -13.694 -0.831 -18.869 1.00 14.43 H new ATOM 0 HB2 LYS A 32 -16.248 0.224 -20.149 1.00 73.50 H new ATOM 0 HB3 LYS A 32 -15.063 -0.756 -20.989 1.00 73.50 H new ATOM 0 HG2 LYS A 32 -15.457 -2.631 -19.473 1.00 63.44 H new ATOM 0 HG3 LYS A 32 -16.518 -1.654 -18.477 1.00 63.44 H new ATOM 0 HD2 LYS A 32 -18.187 -2.520 -19.745 1.00 11.35 H new ATOM 0 HD3 LYS A 32 -17.696 -1.334 -20.937 1.00 11.35 H new ATOM 0 HE2 LYS A 32 -16.067 -3.067 -21.856 1.00 2.34 H new ATOM 0 HE3 LYS A 32 -16.800 -4.236 -20.775 1.00 2.34 H new ATOM 0 HZ1 LYS A 32 -17.782 -4.339 -22.973 1.00 24.31 H new ATOM 0 HZ2 LYS A 32 -18.944 -3.837 -21.841 1.00 24.31 H new ATOM 0 HZ3 LYS A 32 -18.234 -2.704 -22.889 1.00 24.31 H new ATOM 511 N HIS A 33 -14.107 2.340 -19.513 1.00 44.23 N ATOM 512 CA HIS A 33 -13.477 3.519 -20.096 1.00 44.30 C ATOM 513 C HIS A 33 -12.310 3.993 -19.234 1.00 2.40 C ATOM 514 O HIS A 33 -11.381 4.562 -19.805 1.00 63.31 O ATOM 515 CB HIS A 33 -14.500 4.645 -20.254 1.00 51.04 C ATOM 516 CG HIS A 33 -15.760 4.216 -20.940 1.00 35.21 C ATOM 517 ND1 HIS A 33 -16.990 4.207 -20.317 1.00 71.10 N ATOM 518 CD2 HIS A 33 -15.977 3.782 -22.203 1.00 13.03 C ATOM 519 CE1 HIS A 33 -17.909 3.784 -21.167 1.00 3.05 C ATOM 520 NE2 HIS A 33 -17.320 3.520 -22.320 1.00 64.35 N ATOM 0 H HIS A 33 -14.910 2.542 -18.918 1.00 44.23 H new ATOM 0 HA HIS A 33 -13.093 3.247 -21.079 1.00 44.30 H new ATOM 0 HB2 HIS A 33 -14.749 5.040 -19.269 1.00 51.04 H new ATOM 0 HB3 HIS A 33 -14.047 5.460 -20.819 1.00 51.04 H new ATOM 0 HD2 HIS A 33 -15.232 3.664 -22.976 1.00 13.03 H new ATOM 0 HE1 HIS A 33 -18.962 3.673 -20.955 1.00 3.05 H new ATOM 0 HE2 HIS A 33 -17.787 3.178 -23.160 1.00 64.35 H new ATOM 528 N ILE A 34 -12.334 3.781 -17.923 1.00 34.40 N ATOM 529 CA ILE A 34 -11.242 4.215 -17.059 1.00 3.45 C ATOM 530 C ILE A 34 -10.033 3.297 -17.199 1.00 53.25 C ATOM 531 O ILE A 34 -8.888 3.750 -17.164 1.00 11.44 O ATOM 532 CB ILE A 34 -11.674 4.256 -15.582 1.00 41.14 C ATOM 533 CG1 ILE A 34 -12.930 5.114 -15.418 1.00 11.11 C ATOM 534 CG2 ILE A 34 -10.545 4.789 -14.713 1.00 45.54 C ATOM 535 CD1 ILE A 34 -13.541 5.033 -14.037 1.00 32.14 C ATOM 0 H ILE A 34 -13.097 3.312 -17.435 1.00 34.40 H new ATOM 0 HA ILE A 34 -10.970 5.222 -17.376 1.00 3.45 H new ATOM 0 HB ILE A 34 -11.906 3.241 -15.260 1.00 41.14 H new ATOM 0 HG12 ILE A 34 -12.682 6.153 -15.636 1.00 11.11 H new ATOM 0 HG13 ILE A 34 -13.672 4.802 -16.153 1.00 11.11 H new ATOM 0 HG21 ILE A 34 -10.867 4.812 -13.672 1.00 45.54 H new ATOM 0 HG22 ILE A 34 -9.674 4.141 -14.810 1.00 45.54 H new ATOM 0 HG23 ILE A 34 -10.284 5.797 -15.034 1.00 45.54 H new ATOM 0 HD11 ILE A 34 -14.427 5.666 -13.994 1.00 32.14 H new ATOM 0 HD12 ILE A 34 -13.821 4.002 -13.823 1.00 32.14 H new ATOM 0 HD13 ILE A 34 -12.816 5.373 -13.298 1.00 32.14 H new ATOM 547 N VAL A 35 -10.294 2.003 -17.360 1.00 34.13 N ATOM 548 CA VAL A 35 -9.227 1.021 -17.508 1.00 53.22 C ATOM 549 C VAL A 35 -8.553 1.143 -18.870 1.00 11.32 C ATOM 550 O VAL A 35 -7.336 0.994 -18.987 1.00 13.51 O ATOM 551 CB VAL A 35 -9.759 -0.415 -17.337 1.00 24.44 C ATOM 552 CG1 VAL A 35 -8.638 -1.425 -17.525 1.00 11.41 C ATOM 553 CG2 VAL A 35 -10.414 -0.580 -15.974 1.00 51.44 C ATOM 0 H VAL A 35 -11.235 1.611 -17.391 1.00 34.13 H new ATOM 0 HA VAL A 35 -8.497 1.226 -16.725 1.00 53.22 H new ATOM 0 HB VAL A 35 -10.513 -0.599 -18.102 1.00 24.44 H new ATOM 0 HG11 VAL A 35 -9.032 -2.434 -17.401 1.00 11.41 H new ATOM 0 HG12 VAL A 35 -8.218 -1.320 -18.525 1.00 11.41 H new ATOM 0 HG13 VAL A 35 -7.859 -1.246 -16.784 1.00 11.41 H new ATOM 0 HG21 VAL A 35 -10.784 -1.600 -15.869 1.00 51.44 H new ATOM 0 HG22 VAL A 35 -9.682 -0.378 -15.192 1.00 51.44 H new ATOM 0 HG23 VAL A 35 -11.245 0.119 -15.883 1.00 51.44 H new ATOM 563 N TRP A 36 -9.351 1.414 -19.896 1.00 11.04 N ATOM 564 CA TRP A 36 -8.831 1.557 -21.251 1.00 15.52 C ATOM 565 C TRP A 36 -7.941 2.789 -21.366 1.00 43.35 C ATOM 566 O TRP A 36 -7.042 2.841 -22.206 1.00 51.44 O ATOM 567 CB TRP A 36 -9.983 1.649 -22.254 1.00 61.50 C ATOM 568 CG TRP A 36 -9.533 1.969 -23.647 1.00 23.23 C ATOM 569 CD1 TRP A 36 -9.183 1.078 -24.621 1.00 22.02 C ATOM 570 CD2 TRP A 36 -9.381 3.273 -24.221 1.00 1.34 C ATOM 571 NE1 TRP A 36 -8.824 1.748 -25.766 1.00 72.41 N ATOM 572 CE2 TRP A 36 -8.938 3.095 -25.546 1.00 15.12 C ATOM 573 CE3 TRP A 36 -9.580 4.572 -23.745 1.00 63.25 C ATOM 574 CZ2 TRP A 36 -8.690 4.169 -26.397 1.00 24.01 C ATOM 575 CZ3 TRP A 36 -9.332 5.636 -24.592 1.00 73.33 C ATOM 576 CH2 TRP A 36 -8.892 5.429 -25.905 1.00 20.31 C ATOM 0 H TRP A 36 -10.360 1.539 -19.816 1.00 11.04 H new ATOM 0 HA TRP A 36 -8.230 0.676 -21.478 1.00 15.52 H new ATOM 0 HB2 TRP A 36 -10.524 0.703 -22.263 1.00 61.50 H new ATOM 0 HB3 TRP A 36 -10.685 2.414 -21.922 1.00 61.50 H new ATOM 0 HD1 TRP A 36 -9.188 0.004 -24.508 1.00 22.02 H new ATOM 0 HE1 TRP A 36 -8.522 1.313 -26.638 1.00 72.41 H new ATOM 0 HE3 TRP A 36 -9.921 4.741 -22.734 1.00 63.25 H new ATOM 0 HZ2 TRP A 36 -8.350 4.012 -27.410 1.00 24.01 H new ATOM 0 HZ3 TRP A 36 -9.480 6.644 -24.235 1.00 73.33 H new ATOM 0 HH2 TRP A 36 -8.708 6.282 -26.542 1.00 20.31 H new ATOM 587 N ALA A 37 -8.195 3.779 -20.517 1.00 70.41 N ATOM 588 CA ALA A 37 -7.414 5.009 -20.522 1.00 31.11 C ATOM 589 C ALA A 37 -6.188 4.887 -19.623 1.00 53.54 C ATOM 590 O ALA A 37 -5.189 5.578 -19.821 1.00 42.42 O ATOM 591 CB ALA A 37 -8.277 6.183 -20.083 1.00 24.14 C ATOM 0 H ALA A 37 -8.936 3.753 -19.817 1.00 70.41 H new ATOM 0 HA ALA A 37 -7.068 5.185 -21.540 1.00 31.11 H new ATOM 0 HB1 ALA A 37 -7.681 7.096 -20.091 1.00 24.14 H new ATOM 0 HB2 ALA A 37 -9.118 6.292 -20.768 1.00 24.14 H new ATOM 0 HB3 ALA A 37 -8.651 6.003 -19.075 1.00 24.14 H new ATOM 597 N SER A 38 -6.272 4.002 -18.634 1.00 12.52 N ATOM 598 CA SER A 38 -5.171 3.791 -17.702 1.00 73.01 C ATOM 599 C SER A 38 -4.033 3.025 -18.369 1.00 23.32 C ATOM 600 O SER A 38 -2.859 3.265 -18.086 1.00 75.51 O ATOM 601 CB SER A 38 -5.659 3.029 -16.468 1.00 62.45 C ATOM 602 OG SER A 38 -6.534 3.826 -15.688 1.00 45.22 O ATOM 0 H SER A 38 -7.091 3.420 -18.458 1.00 12.52 H new ATOM 0 HA SER A 38 -4.797 4.767 -17.394 1.00 73.01 H new ATOM 0 HB2 SER A 38 -6.171 2.118 -16.778 1.00 62.45 H new ATOM 0 HB3 SER A 38 -4.805 2.724 -15.864 1.00 62.45 H new ATOM 0 HG SER A 38 -7.416 3.858 -16.115 1.00 45.22 H new ATOM 608 N ARG A 39 -4.389 2.104 -19.259 1.00 31.22 N ATOM 609 CA ARG A 39 -3.399 1.302 -19.966 1.00 4.24 C ATOM 610 C ARG A 39 -2.846 2.060 -21.171 1.00 11.00 C ATOM 611 O ARG A 39 -1.721 1.816 -21.606 1.00 51.13 O ATOM 612 CB ARG A 39 -4.014 -0.022 -20.422 1.00 64.41 C ATOM 613 CG ARG A 39 -4.052 -1.082 -19.333 1.00 20.21 C ATOM 614 CD ARG A 39 -3.557 -2.425 -19.845 1.00 65.43 C ATOM 615 NE ARG A 39 -4.177 -2.789 -21.115 1.00 43.43 N ATOM 616 CZ ARG A 39 -5.440 -3.186 -21.230 1.00 43.23 C ATOM 617 NH1 ARG A 39 -6.211 -3.270 -20.155 1.00 21.43 N1+ ATOM 618 NH2 ARG A 39 -5.932 -3.501 -22.422 1.00 74.44 N ATOM 0 H ARG A 39 -5.356 1.895 -19.507 1.00 31.22 H new ATOM 0 HA ARG A 39 -2.578 1.095 -19.279 1.00 4.24 H new ATOM 0 HB2 ARG A 39 -5.029 0.161 -20.775 1.00 64.41 H new ATOM 0 HB3 ARG A 39 -3.446 -0.404 -21.270 1.00 64.41 H new ATOM 0 HG2 ARG A 39 -3.437 -0.763 -18.492 1.00 20.21 H new ATOM 0 HG3 ARG A 39 -5.071 -1.187 -18.961 1.00 20.21 H new ATOM 0 HD2 ARG A 39 -2.474 -2.390 -19.967 1.00 65.43 H new ATOM 0 HD3 ARG A 39 -3.769 -3.196 -19.104 1.00 65.43 H new ATOM 0 HE ARG A 39 -3.610 -2.736 -21.961 1.00 43.43 H new ATOM 0 HH11 ARG A 39 -5.835 -3.030 -19.238 1.00 21.43 H new ATOM 0 HH12 ARG A 39 -7.180 -3.575 -20.245 1.00 21.43 H new ATOM 0 HH21 ARG A 39 -5.340 -3.438 -23.251 1.00 74.44 H new ATOM 0 HH22 ARG A 39 -6.902 -3.806 -22.509 1.00 74.44 H new ATOM 632 N GLU A 40 -3.646 2.977 -21.704 1.00 12.33 N ATOM 633 CA GLU A 40 -3.237 3.769 -22.859 1.00 74.23 C ATOM 634 C GLU A 40 -2.374 4.951 -22.430 1.00 14.15 C ATOM 635 O GLU A 40 -1.558 5.452 -23.205 1.00 32.32 O ATOM 636 CB GLU A 40 -4.465 4.269 -23.623 1.00 11.23 C ATOM 637 CG GLU A 40 -4.186 4.586 -25.082 1.00 32.33 C ATOM 638 CD GLU A 40 -4.508 3.427 -26.004 1.00 11.12 C ATOM 639 OE1 GLU A 40 -4.752 2.313 -25.493 1.00 24.04 O ATOM 640 OE2 GLU A 40 -4.517 3.632 -27.235 1.00 11.33 O1- ATOM 0 H GLU A 40 -4.581 3.190 -21.355 1.00 12.33 H new ATOM 0 HA GLU A 40 -2.646 3.130 -23.515 1.00 74.23 H new ATOM 0 HB2 GLU A 40 -5.249 3.514 -23.567 1.00 11.23 H new ATOM 0 HB3 GLU A 40 -4.848 5.164 -23.132 1.00 11.23 H new ATOM 0 HG2 GLU A 40 -4.773 5.455 -25.379 1.00 32.33 H new ATOM 0 HG3 GLU A 40 -3.136 4.855 -25.197 1.00 32.33 H new ATOM 647 N LEU A 41 -2.562 5.394 -21.191 1.00 24.13 N ATOM 648 CA LEU A 41 -1.801 6.520 -20.659 1.00 55.15 C ATOM 649 C LEU A 41 -0.336 6.144 -20.467 1.00 72.22 C ATOM 650 O LEU A 41 0.561 6.857 -20.915 1.00 11.11 O ATOM 651 CB LEU A 41 -2.400 6.980 -19.328 1.00 22.12 C ATOM 652 CG LEU A 41 -3.340 8.185 -19.396 1.00 25.04 C ATOM 653 CD1 LEU A 41 -3.896 8.506 -18.018 1.00 22.31 C ATOM 654 CD2 LEU A 41 -2.617 9.392 -19.977 1.00 43.34 C ATOM 0 H LEU A 41 -3.233 4.992 -20.537 1.00 24.13 H new ATOM 0 HA LEU A 41 -1.856 7.337 -21.378 1.00 55.15 H new ATOM 0 HB2 LEU A 41 -2.945 6.144 -18.889 1.00 22.12 H new ATOM 0 HB3 LEU A 41 -1.583 7.220 -18.648 1.00 22.12 H new ATOM 0 HG LEU A 41 -4.174 7.936 -20.052 1.00 25.04 H new ATOM 0 HD11 LEU A 41 -4.562 9.366 -18.086 1.00 22.31 H new ATOM 0 HD12 LEU A 41 -4.450 7.647 -17.640 1.00 22.31 H new ATOM 0 HD13 LEU A 41 -3.075 8.736 -17.339 1.00 22.31 H new ATOM 0 HD21 LEU A 41 -3.300 10.240 -20.018 1.00 43.34 H new ATOM 0 HD22 LEU A 41 -1.764 9.643 -19.347 1.00 43.34 H new ATOM 0 HD23 LEU A 41 -2.268 9.158 -20.983 1.00 43.34 H new ATOM 666 N GLU A 42 -0.101 5.019 -19.799 1.00 62.42 N ATOM 667 CA GLU A 42 1.257 4.548 -19.550 1.00 32.31 C ATOM 668 C GLU A 42 2.033 4.409 -20.856 1.00 21.14 C ATOM 669 O GLU A 42 3.261 4.495 -20.873 1.00 54.11 O ATOM 670 CB GLU A 42 1.229 3.207 -18.814 1.00 4.54 C ATOM 671 CG GLU A 42 1.946 3.231 -17.475 1.00 15.24 C ATOM 672 CD GLU A 42 3.288 2.527 -17.520 1.00 21.01 C ATOM 673 OE1 GLU A 42 3.865 2.418 -18.621 1.00 63.42 O1- ATOM 674 OE2 GLU A 42 3.760 2.085 -16.452 1.00 62.31 O ATOM 0 H GLU A 42 -0.832 4.417 -19.421 1.00 62.42 H new ATOM 0 HA GLU A 42 1.761 5.286 -18.926 1.00 32.31 H new ATOM 0 HB2 GLU A 42 0.192 2.911 -18.656 1.00 4.54 H new ATOM 0 HB3 GLU A 42 1.685 2.446 -19.447 1.00 4.54 H new ATOM 0 HG2 GLU A 42 2.093 4.265 -17.164 1.00 15.24 H new ATOM 0 HG3 GLU A 42 1.317 2.758 -16.721 1.00 15.24 H new ATOM 681 N ARG A 43 1.307 4.194 -21.949 1.00 43.14 N ATOM 682 CA ARG A 43 1.926 4.040 -23.259 1.00 65.10 C ATOM 683 C ARG A 43 2.463 5.376 -23.766 1.00 0.44 C ATOM 684 O ARG A 43 3.407 5.417 -24.555 1.00 20.35 O ATOM 685 CB ARG A 43 0.919 3.471 -24.259 1.00 43.54 C ATOM 686 CG ARG A 43 1.396 2.203 -24.950 1.00 3.03 C ATOM 687 CD ARG A 43 0.271 1.529 -25.719 1.00 60.11 C ATOM 688 NE ARG A 43 0.086 0.139 -25.311 1.00 51.22 N ATOM 689 CZ ARG A 43 -0.539 -0.768 -26.055 1.00 20.02 C ATOM 690 NH1 ARG A 43 -1.036 -0.432 -27.237 1.00 31.00 N1+ ATOM 691 NH2 ARG A 43 -0.668 -2.013 -25.616 1.00 11.02 N ATOM 0 H ARG A 43 0.290 4.123 -21.952 1.00 43.14 H new ATOM 0 HA ARG A 43 2.760 3.346 -23.160 1.00 65.10 H new ATOM 0 HB2 ARG A 43 -0.017 3.262 -23.740 1.00 43.54 H new ATOM 0 HB3 ARG A 43 0.703 4.227 -25.014 1.00 43.54 H new ATOM 0 HG2 ARG A 43 2.211 2.444 -25.633 1.00 3.03 H new ATOM 0 HG3 ARG A 43 1.796 1.512 -24.208 1.00 3.03 H new ATOM 0 HD2 ARG A 43 -0.656 2.080 -25.562 1.00 60.11 H new ATOM 0 HD3 ARG A 43 0.487 1.568 -26.787 1.00 60.11 H new ATOM 0 HE ARG A 43 0.456 -0.152 -24.406 1.00 51.22 H new ATOM 0 HH11 ARG A 43 -0.939 0.525 -27.578 1.00 31.00 H new ATOM 0 HH12 ARG A 43 -1.515 -1.130 -27.806 1.00 31.00 H new ATOM 0 HH21 ARG A 43 -0.287 -2.275 -24.707 1.00 11.02 H new ATOM 0 HH22 ARG A 43 -1.148 -2.708 -26.188 1.00 11.02 H new ATOM 705 N PHE A 44 1.854 6.465 -23.308 1.00 45.43 N ATOM 706 CA PHE A 44 2.269 7.802 -23.717 1.00 53.21 C ATOM 707 C PHE A 44 3.226 8.410 -22.695 1.00 12.32 C ATOM 708 O PHE A 44 3.294 9.629 -22.543 1.00 70.44 O ATOM 709 CB PHE A 44 1.048 8.707 -23.891 1.00 5.32 C ATOM 710 CG PHE A 44 0.137 8.276 -25.006 1.00 71.34 C ATOM 711 CD1 PHE A 44 0.613 8.159 -26.301 1.00 22.31 C ATOM 712 CD2 PHE A 44 -1.195 7.988 -24.757 1.00 73.53 C ATOM 713 CE1 PHE A 44 -0.223 7.764 -27.329 1.00 41.11 C ATOM 714 CE2 PHE A 44 -2.035 7.591 -25.780 1.00 74.01 C ATOM 715 CZ PHE A 44 -1.548 7.480 -27.067 1.00 12.32 C ATOM 0 H PHE A 44 1.072 6.448 -22.654 1.00 45.43 H new ATOM 0 HA PHE A 44 2.789 7.718 -24.671 1.00 53.21 H new ATOM 0 HB2 PHE A 44 0.484 8.726 -22.958 1.00 5.32 H new ATOM 0 HB3 PHE A 44 1.385 9.726 -24.081 1.00 5.32 H new ATOM 0 HD1 PHE A 44 1.649 8.379 -26.511 1.00 22.31 H new ATOM 0 HD2 PHE A 44 -1.581 8.075 -23.752 1.00 73.53 H new ATOM 0 HE1 PHE A 44 0.160 7.678 -28.335 1.00 41.11 H new ATOM 0 HE2 PHE A 44 -3.071 7.368 -25.573 1.00 74.01 H new ATOM 0 HZ PHE A 44 -2.203 7.171 -27.868 1.00 12.32 H new ATOM 725 N ALA A 45 3.960 7.551 -21.997 1.00 64.43 N ATOM 726 CA ALA A 45 4.913 8.002 -20.991 1.00 63.24 C ATOM 727 C ALA A 45 4.205 8.706 -19.840 1.00 75.31 C ATOM 728 O ALA A 45 4.816 9.474 -19.097 1.00 63.14 O ATOM 729 CB ALA A 45 5.947 8.924 -21.620 1.00 25.30 C ATOM 0 H ALA A 45 3.913 6.538 -22.110 1.00 64.43 H new ATOM 0 HA ALA A 45 5.420 7.125 -20.588 1.00 63.24 H new ATOM 0 HB1 ALA A 45 6.653 9.253 -20.857 1.00 25.30 H new ATOM 0 HB2 ALA A 45 6.483 8.389 -22.403 1.00 25.30 H new ATOM 0 HB3 ALA A 45 5.447 9.792 -22.051 1.00 25.30 H new ATOM 735 N VAL A 46 2.909 8.441 -19.697 1.00 42.44 N ATOM 736 CA VAL A 46 2.117 9.049 -18.636 1.00 52.24 C ATOM 737 C VAL A 46 1.555 7.989 -17.693 1.00 20.52 C ATOM 738 O VAL A 46 0.733 7.164 -18.089 1.00 44.04 O ATOM 739 CB VAL A 46 0.952 9.878 -19.209 1.00 44.34 C ATOM 740 CG1 VAL A 46 0.114 10.470 -18.087 1.00 73.02 C ATOM 741 CG2 VAL A 46 1.479 10.971 -20.127 1.00 15.21 C ATOM 0 H VAL A 46 2.387 7.809 -20.304 1.00 42.44 H new ATOM 0 HA VAL A 46 2.785 9.708 -18.082 1.00 52.24 H new ATOM 0 HB VAL A 46 0.313 9.218 -19.796 1.00 44.34 H new ATOM 0 HG11 VAL A 46 -0.704 11.052 -18.512 1.00 73.02 H new ATOM 0 HG12 VAL A 46 -0.293 9.666 -17.474 1.00 73.02 H new ATOM 0 HG13 VAL A 46 0.737 11.117 -17.470 1.00 73.02 H new ATOM 0 HG21 VAL A 46 0.643 11.547 -20.523 1.00 15.21 H new ATOM 0 HG22 VAL A 46 2.141 11.630 -19.565 1.00 15.21 H new ATOM 0 HG23 VAL A 46 2.031 10.519 -20.951 1.00 15.21 H new ATOM 751 N ASN A 47 2.005 8.019 -16.443 1.00 23.54 N ATOM 752 CA ASN A 47 1.548 7.061 -15.443 1.00 21.44 C ATOM 753 C ASN A 47 0.049 7.203 -15.199 1.00 12.44 C ATOM 754 O ASN A 47 -0.510 8.300 -15.233 1.00 10.43 O ATOM 755 CB ASN A 47 2.311 7.259 -14.131 1.00 31.01 C ATOM 756 CG ASN A 47 3.795 6.982 -14.277 1.00 32.23 C ATOM 757 OD1 ASN A 47 4.438 7.460 -15.212 1.00 74.41 O ATOM 758 ND2 ASN A 47 4.345 6.206 -13.351 1.00 72.42 N ATOM 0 H ASN A 47 2.686 8.696 -16.098 1.00 23.54 H new ATOM 0 HA ASN A 47 1.743 6.057 -15.821 1.00 21.44 H new ATOM 0 HB2 ASN A 47 2.168 8.281 -13.781 1.00 31.01 H new ATOM 0 HB3 ASN A 47 1.895 6.600 -13.369 1.00 31.01 H new ATOM 0 HD21 ASN A 47 5.339 5.984 -13.397 1.00 72.42 H new ATOM 0 HD22 ASN A 47 3.773 5.832 -12.594 1.00 72.42 H new ATOM 765 N PRO A 48 -0.619 6.069 -14.946 1.00 53.14 N ATOM 766 CA PRO A 48 -2.062 6.039 -14.691 1.00 71.40 C ATOM 767 C PRO A 48 -2.426 6.668 -13.349 1.00 51.52 C ATOM 768 O PRO A 48 -3.598 6.909 -13.063 1.00 11.23 O ATOM 769 CB PRO A 48 -2.393 4.545 -14.687 1.00 63.15 C ATOM 770 CG PRO A 48 -1.115 3.875 -14.311 1.00 1.45 C ATOM 771 CD PRO A 48 -0.017 4.725 -14.889 1.00 31.05 C ATOM 0 HA PRO A 48 -2.618 6.610 -15.434 1.00 71.40 H new ATOM 0 HB2 PRO A 48 -3.185 4.317 -13.973 1.00 63.15 H new ATOM 0 HB3 PRO A 48 -2.741 4.214 -15.666 1.00 63.15 H new ATOM 0 HG2 PRO A 48 -1.019 3.797 -13.228 1.00 1.45 H new ATOM 0 HG3 PRO A 48 -1.074 2.861 -14.709 1.00 1.45 H new ATOM 0 HD2 PRO A 48 0.875 4.710 -14.262 1.00 31.05 H new ATOM 0 HD3 PRO A 48 0.283 4.377 -15.877 1.00 31.05 H new ATOM 779 N GLY A 49 -1.413 6.931 -12.530 1.00 23.23 N ATOM 780 CA GLY A 49 -1.648 7.530 -11.229 1.00 62.35 C ATOM 781 C GLY A 49 -2.165 8.951 -11.329 1.00 25.31 C ATOM 782 O GLY A 49 -2.692 9.498 -10.361 1.00 35.24 O ATOM 0 H GLY A 49 -0.434 6.740 -12.744 1.00 23.23 H new ATOM 0 HA2 GLY A 49 -2.367 6.923 -10.678 1.00 62.35 H new ATOM 0 HA3 GLY A 49 -0.720 7.524 -10.657 1.00 62.35 H new ATOM 786 N LEU A 50 -2.010 9.554 -12.504 1.00 53.53 N ATOM 787 CA LEU A 50 -2.464 10.922 -12.727 1.00 51.32 C ATOM 788 C LEU A 50 -3.981 10.973 -12.886 1.00 5.13 C ATOM 789 O LEU A 50 -4.607 12.003 -12.635 1.00 30.12 O ATOM 790 CB LEU A 50 -1.790 11.507 -13.969 1.00 24.53 C ATOM 791 CG LEU A 50 -0.267 11.384 -14.027 1.00 31.40 C ATOM 792 CD1 LEU A 50 0.273 12.026 -15.295 1.00 41.40 C ATOM 793 CD2 LEU A 50 0.366 12.019 -12.796 1.00 1.05 C ATOM 0 H LEU A 50 -1.574 9.117 -13.316 1.00 53.53 H new ATOM 0 HA LEU A 50 -2.188 11.517 -11.857 1.00 51.32 H new ATOM 0 HB2 LEU A 50 -2.208 11.018 -14.849 1.00 24.53 H new ATOM 0 HB3 LEU A 50 -2.052 12.563 -14.037 1.00 24.53 H new ATOM 0 HG LEU A 50 -0.008 10.325 -14.041 1.00 31.40 H new ATOM 0 HD11 LEU A 50 1.358 11.929 -15.318 1.00 41.40 H new ATOM 0 HD12 LEU A 50 -0.155 11.529 -16.165 1.00 41.40 H new ATOM 0 HD13 LEU A 50 0.003 13.082 -15.312 1.00 41.40 H new ATOM 0 HD21 LEU A 50 1.450 11.922 -12.854 1.00 1.05 H new ATOM 0 HD22 LEU A 50 0.097 13.074 -12.752 1.00 1.05 H new ATOM 0 HD23 LEU A 50 0.004 11.515 -11.900 1.00 1.05 H new ATOM 805 N LEU A 51 -4.564 9.855 -13.303 1.00 14.12 N ATOM 806 CA LEU A 51 -6.009 9.771 -13.493 1.00 62.22 C ATOM 807 C LEU A 51 -6.744 9.974 -12.172 1.00 54.40 C ATOM 808 O LEU A 51 -7.899 10.399 -12.154 1.00 24.23 O ATOM 809 CB LEU A 51 -6.385 8.418 -14.098 1.00 74.43 C ATOM 810 CG LEU A 51 -5.986 8.200 -15.557 1.00 14.32 C ATOM 811 CD1 LEU A 51 -6.446 6.832 -16.038 1.00 62.21 C ATOM 812 CD2 LEU A 51 -6.564 9.299 -16.438 1.00 44.34 C ATOM 0 H LEU A 51 -4.060 8.994 -13.516 1.00 14.12 H new ATOM 0 HA LEU A 51 -6.308 10.564 -14.179 1.00 62.22 H new ATOM 0 HB2 LEU A 51 -5.926 7.634 -13.496 1.00 74.43 H new ATOM 0 HB3 LEU A 51 -7.465 8.293 -14.015 1.00 74.43 H new ATOM 0 HG LEU A 51 -4.899 8.240 -15.626 1.00 14.32 H new ATOM 0 HD11 LEU A 51 -6.153 6.695 -17.079 1.00 62.21 H new ATOM 0 HD12 LEU A 51 -5.985 6.057 -15.426 1.00 62.21 H new ATOM 0 HD13 LEU A 51 -7.531 6.763 -15.954 1.00 62.21 H new ATOM 0 HD21 LEU A 51 -6.270 9.128 -17.473 1.00 44.34 H new ATOM 0 HD22 LEU A 51 -7.651 9.291 -16.364 1.00 44.34 H new ATOM 0 HD23 LEU A 51 -6.185 10.266 -16.108 1.00 44.34 H new ATOM 824 N GLU A 52 -6.067 9.668 -11.070 1.00 2.43 N ATOM 825 CA GLU A 52 -6.658 9.818 -9.745 1.00 5.42 C ATOM 826 C GLU A 52 -6.220 11.130 -9.100 1.00 21.12 C ATOM 827 O GLU A 52 -6.222 11.266 -7.876 1.00 50.34 O ATOM 828 CB GLU A 52 -6.265 8.641 -8.851 1.00 65.24 C ATOM 829 CG GLU A 52 -4.772 8.560 -8.573 1.00 0.11 C ATOM 830 CD GLU A 52 -4.467 8.140 -7.148 1.00 62.30 C ATOM 831 OE1 GLU A 52 -4.676 8.959 -6.230 1.00 21.41 O1- ATOM 832 OE2 GLU A 52 -4.018 6.991 -6.952 1.00 45.33 O ATOM 0 H GLU A 52 -5.110 9.315 -11.068 1.00 2.43 H new ATOM 0 HA GLU A 52 -7.742 9.833 -9.858 1.00 5.42 H new ATOM 0 HB2 GLU A 52 -6.799 8.721 -7.904 1.00 65.24 H new ATOM 0 HB3 GLU A 52 -6.589 7.713 -9.322 1.00 65.24 H new ATOM 0 HG2 GLU A 52 -4.316 7.850 -9.263 1.00 0.11 H new ATOM 0 HG3 GLU A 52 -4.317 9.531 -8.767 1.00 0.11 H new ATOM 839 N THR A 53 -5.842 12.095 -9.932 1.00 2.55 N ATOM 840 CA THR A 53 -5.400 13.396 -9.445 1.00 4.41 C ATOM 841 C THR A 53 -6.028 14.527 -10.251 1.00 20.31 C ATOM 842 O THR A 53 -5.883 14.588 -11.472 1.00 41.21 O ATOM 843 CB THR A 53 -3.866 13.526 -9.507 1.00 32.23 C ATOM 844 OG1 THR A 53 -3.443 13.697 -10.864 1.00 50.43 O ATOM 845 CG2 THR A 53 -3.195 12.299 -8.911 1.00 61.35 C ATOM 0 H THR A 53 -5.833 12.000 -10.948 1.00 2.55 H new ATOM 0 HA THR A 53 -5.722 13.472 -8.407 1.00 4.41 H new ATOM 0 HB THR A 53 -3.573 14.399 -8.924 1.00 32.23 H new ATOM 0 HG1 THR A 53 -3.845 12.999 -11.422 1.00 50.43 H new ATOM 0 HG21 THR A 53 -2.112 12.414 -8.966 1.00 61.35 H new ATOM 0 HG22 THR A 53 -3.496 12.190 -7.869 1.00 61.35 H new ATOM 0 HG23 THR A 53 -3.495 11.413 -9.470 1.00 61.35 H new ATOM 853 N SER A 54 -6.726 15.423 -9.560 1.00 23.53 N ATOM 854 CA SER A 54 -7.378 16.552 -10.211 1.00 1.54 C ATOM 855 C SER A 54 -6.365 17.397 -10.978 1.00 12.14 C ATOM 856 O SER A 54 -6.720 18.114 -11.912 1.00 10.03 O ATOM 857 CB SER A 54 -8.102 17.417 -9.178 1.00 31.13 C ATOM 858 OG SER A 54 -7.373 18.601 -8.904 1.00 1.24 O ATOM 0 H SER A 54 -6.854 15.388 -8.549 1.00 23.53 H new ATOM 0 HA SER A 54 -8.107 16.158 -10.919 1.00 1.54 H new ATOM 0 HB2 SER A 54 -9.095 17.675 -9.546 1.00 31.13 H new ATOM 0 HB3 SER A 54 -8.241 16.850 -8.257 1.00 31.13 H new ATOM 0 HG SER A 54 -7.857 19.138 -8.242 1.00 1.24 H new ATOM 864 N GLU A 55 -5.102 17.305 -10.575 1.00 41.51 N ATOM 865 CA GLU A 55 -4.037 18.062 -11.223 1.00 42.34 C ATOM 866 C GLU A 55 -3.520 17.326 -12.457 1.00 41.34 C ATOM 867 O GLU A 55 -3.372 17.914 -13.527 1.00 71.02 O ATOM 868 CB GLU A 55 -2.887 18.308 -10.244 1.00 14.11 C ATOM 869 CG GLU A 55 -2.908 19.691 -9.617 1.00 21.22 C ATOM 870 CD GLU A 55 -2.743 20.798 -10.640 1.00 2.33 C ATOM 871 OE1 GLU A 55 -2.333 20.497 -11.781 1.00 74.32 O1- ATOM 872 OE2 GLU A 55 -3.025 21.966 -10.300 1.00 1.44 O ATOM 0 H GLU A 55 -4.791 16.714 -9.804 1.00 41.51 H new ATOM 0 HA GLU A 55 -4.448 19.021 -11.538 1.00 42.34 H new ATOM 0 HB2 GLU A 55 -2.928 17.559 -9.453 1.00 14.11 H new ATOM 0 HB3 GLU A 55 -1.940 18.169 -10.766 1.00 14.11 H new ATOM 0 HG2 GLU A 55 -3.849 19.830 -9.085 1.00 21.22 H new ATOM 0 HG3 GLU A 55 -2.110 19.763 -8.878 1.00 21.22 H new ATOM 879 N GLY A 56 -3.245 16.034 -12.297 1.00 35.33 N ATOM 880 CA GLY A 56 -2.748 15.239 -13.404 1.00 50.31 C ATOM 881 C GLY A 56 -3.709 15.211 -14.576 1.00 22.31 C ATOM 882 O GLY A 56 -3.308 15.424 -15.721 1.00 72.12 O ATOM 0 H GLY A 56 -3.358 15.525 -11.420 1.00 35.33 H new ATOM 0 HA2 GLY A 56 -1.790 15.640 -13.734 1.00 50.31 H new ATOM 0 HA3 GLY A 56 -2.567 14.220 -13.063 1.00 50.31 H new ATOM 886 N CYS A 57 -4.979 14.947 -14.291 1.00 40.55 N ATOM 887 CA CYS A 57 -6.000 14.888 -15.332 1.00 61.21 C ATOM 888 C CYS A 57 -5.972 16.148 -16.191 1.00 20.43 C ATOM 889 O CYS A 57 -6.242 16.099 -17.391 1.00 11.21 O ATOM 890 CB CYS A 57 -7.385 14.714 -14.707 1.00 43.41 C ATOM 891 SG CYS A 57 -8.168 13.128 -15.081 1.00 2.34 S ATOM 0 H CYS A 57 -5.327 14.770 -13.349 1.00 40.55 H new ATOM 0 HA CYS A 57 -5.786 14.030 -15.969 1.00 61.21 H new ATOM 0 HB2 CYS A 57 -7.300 14.819 -13.625 1.00 43.41 H new ATOM 0 HB3 CYS A 57 -8.033 15.518 -15.055 1.00 43.41 H new ATOM 0 HG CYS A 57 -9.333 13.073 -14.507 1.00 2.34 H new ATOM 897 N ARG A 58 -5.645 17.276 -15.569 1.00 34.20 N ATOM 898 CA ARG A 58 -5.585 18.549 -16.276 1.00 2.33 C ATOM 899 C ARG A 58 -4.381 18.594 -17.214 1.00 74.52 C ATOM 900 O ARG A 58 -4.489 19.038 -18.355 1.00 4.23 O ATOM 901 CB ARG A 58 -5.512 19.707 -15.280 1.00 32.24 C ATOM 902 CG ARG A 58 -5.845 21.059 -15.892 1.00 43.24 C ATOM 903 CD ARG A 58 -5.023 22.173 -15.263 1.00 61.42 C ATOM 904 NE ARG A 58 -5.668 22.724 -14.073 1.00 3.14 N ATOM 905 CZ ARG A 58 -5.185 23.753 -13.387 1.00 24.01 C ATOM 906 NH1 ARG A 58 -4.059 24.340 -13.769 1.00 21.51 N1+ ATOM 907 NH2 ARG A 58 -5.829 24.199 -12.316 1.00 71.24 N ATOM 0 H ARG A 58 -5.418 17.334 -14.576 1.00 34.20 H new ATOM 0 HA ARG A 58 -6.492 18.648 -16.872 1.00 2.33 H new ATOM 0 HB2 ARG A 58 -6.199 19.511 -14.457 1.00 32.24 H new ATOM 0 HB3 ARG A 58 -4.509 19.747 -14.855 1.00 32.24 H new ATOM 0 HG2 ARG A 58 -5.659 21.029 -16.966 1.00 43.24 H new ATOM 0 HG3 ARG A 58 -6.906 21.269 -15.758 1.00 43.24 H new ATOM 0 HD2 ARG A 58 -4.038 21.791 -14.997 1.00 61.42 H new ATOM 0 HD3 ARG A 58 -4.870 22.968 -15.993 1.00 61.42 H new ATOM 0 HE ARG A 58 -6.536 22.295 -13.752 1.00 3.14 H new ATOM 0 HH11 ARG A 58 -3.561 24.001 -14.592 1.00 21.51 H new ATOM 0 HH12 ARG A 58 -3.691 25.130 -13.240 1.00 21.51 H new ATOM 0 HH21 ARG A 58 -6.696 23.751 -12.019 1.00 71.24 H new ATOM 0 HH22 ARG A 58 -5.457 24.990 -11.790 1.00 71.24 H new ATOM 921 N GLN A 59 -3.236 18.131 -16.720 1.00 10.13 N ATOM 922 CA GLN A 59 -2.013 18.120 -17.514 1.00 21.22 C ATOM 923 C GLN A 59 -2.155 17.198 -18.720 1.00 64.11 C ATOM 924 O GLN A 59 -1.772 17.555 -19.835 1.00 72.23 O ATOM 925 CB GLN A 59 -0.828 17.679 -16.655 1.00 64.04 C ATOM 926 CG GLN A 59 0.473 17.550 -17.432 1.00 30.53 C ATOM 927 CD GLN A 59 0.722 16.138 -17.924 1.00 2.00 C ATOM 928 OE1 GLN A 59 1.094 15.255 -17.150 1.00 52.00 O ATOM 929 NE2 GLN A 59 0.518 15.917 -19.217 1.00 34.14 N ATOM 0 H GLN A 59 -3.130 17.760 -15.776 1.00 10.13 H new ATOM 0 HA GLN A 59 -1.834 19.133 -17.875 1.00 21.22 H new ATOM 0 HB2 GLN A 59 -0.689 18.397 -15.847 1.00 64.04 H new ATOM 0 HB3 GLN A 59 -1.062 16.720 -16.193 1.00 64.04 H new ATOM 0 HG2 GLN A 59 0.451 18.229 -18.284 1.00 30.53 H new ATOM 0 HG3 GLN A 59 1.303 17.861 -16.798 1.00 30.53 H new ATOM 0 HE21 GLN A 59 0.210 16.678 -19.822 1.00 34.14 H new ATOM 0 HE22 GLN A 59 0.669 14.986 -19.605 1.00 34.14 H new ATOM 938 N ILE A 60 -2.706 16.011 -18.489 1.00 20.43 N ATOM 939 CA ILE A 60 -2.898 15.038 -19.557 1.00 62.12 C ATOM 940 C ILE A 60 -3.684 15.642 -20.715 1.00 2.35 C ATOM 941 O ILE A 60 -3.410 15.356 -21.882 1.00 13.44 O ATOM 942 CB ILE A 60 -3.634 13.784 -19.051 1.00 74.31 C ATOM 943 CG1 ILE A 60 -2.854 13.136 -17.904 1.00 11.24 C ATOM 944 CG2 ILE A 60 -3.835 12.793 -20.187 1.00 53.31 C ATOM 945 CD1 ILE A 60 -3.680 12.177 -17.077 1.00 53.11 C ATOM 0 H ILE A 60 -3.027 15.700 -17.572 1.00 20.43 H new ATOM 0 HA ILE A 60 -1.906 14.751 -19.904 1.00 62.12 H new ATOM 0 HB ILE A 60 -4.614 14.082 -18.677 1.00 74.31 H new ATOM 0 HG12 ILE A 60 -1.996 12.603 -18.314 1.00 11.24 H new ATOM 0 HG13 ILE A 60 -2.462 13.919 -17.254 1.00 11.24 H new ATOM 0 HG21 ILE A 60 -4.357 11.912 -19.813 1.00 53.31 H new ATOM 0 HG22 ILE A 60 -4.427 13.258 -20.975 1.00 53.31 H new ATOM 0 HG23 ILE A 60 -2.865 12.498 -20.588 1.00 53.31 H new ATOM 0 HD11 ILE A 60 -3.063 11.756 -16.283 1.00 53.11 H new ATOM 0 HD12 ILE A 60 -4.523 12.709 -16.637 1.00 53.11 H new ATOM 0 HD13 ILE A 60 -4.050 11.373 -17.714 1.00 53.11 H new ATOM 957 N LEU A 61 -4.661 16.480 -20.387 1.00 11.41 N ATOM 958 CA LEU A 61 -5.487 17.127 -21.400 1.00 1.52 C ATOM 959 C LEU A 61 -4.677 18.148 -22.194 1.00 73.03 C ATOM 960 O LEU A 61 -4.982 18.434 -23.350 1.00 33.03 O ATOM 961 CB LEU A 61 -6.690 17.810 -20.747 1.00 63.32 C ATOM 962 CG LEU A 61 -7.659 16.892 -20.000 1.00 1.21 C ATOM 963 CD1 LEU A 61 -8.312 17.634 -18.844 1.00 13.22 C ATOM 964 CD2 LEU A 61 -8.715 16.345 -20.951 1.00 62.44 C ATOM 0 H LEU A 61 -4.901 16.727 -19.427 1.00 11.41 H new ATOM 0 HA LEU A 61 -5.842 16.359 -22.087 1.00 1.52 H new ATOM 0 HB2 LEU A 61 -6.321 18.561 -20.049 1.00 63.32 H new ATOM 0 HB3 LEU A 61 -7.246 18.340 -21.521 1.00 63.32 H new ATOM 0 HG LEU A 61 -7.095 16.052 -19.593 1.00 1.21 H new ATOM 0 HD11 LEU A 61 -8.998 16.966 -18.324 1.00 13.22 H new ATOM 0 HD12 LEU A 61 -7.544 17.976 -18.151 1.00 13.22 H new ATOM 0 HD13 LEU A 61 -8.863 18.493 -19.228 1.00 13.22 H new ATOM 0 HD21 LEU A 61 -9.396 15.694 -20.403 1.00 62.44 H new ATOM 0 HD22 LEU A 61 -9.276 17.172 -21.387 1.00 62.44 H new ATOM 0 HD23 LEU A 61 -8.230 15.777 -21.745 1.00 62.44 H new ATOM 976 N GLY A 62 -3.640 18.691 -21.563 1.00 42.11 N ATOM 977 CA GLY A 62 -2.801 19.671 -22.225 1.00 23.52 C ATOM 978 C GLY A 62 -2.053 19.091 -23.409 1.00 62.23 C ATOM 979 O GLY A 62 -1.790 19.788 -24.387 1.00 4.54 O ATOM 0 H GLY A 62 -3.367 18.469 -20.606 1.00 42.11 H new ATOM 0 HA2 GLY A 62 -3.418 20.504 -22.562 1.00 23.52 H new ATOM 0 HA3 GLY A 62 -2.085 20.074 -21.509 1.00 23.52 H new ATOM 983 N GLN A 63 -1.708 17.810 -23.318 1.00 30.53 N ATOM 984 CA GLN A 63 -0.983 17.137 -24.389 1.00 44.33 C ATOM 985 C GLN A 63 -1.933 16.700 -25.499 1.00 35.10 C ATOM 986 O GLN A 63 -1.533 16.562 -26.656 1.00 35.22 O ATOM 987 CB GLN A 63 -0.230 15.924 -23.840 1.00 43.14 C ATOM 988 CG GLN A 63 1.261 16.161 -23.668 1.00 65.22 C ATOM 989 CD GLN A 63 2.085 15.512 -24.763 1.00 60.31 C ATOM 990 OE1 GLN A 63 2.690 14.459 -24.559 1.00 1.42 O ATOM 991 NE2 GLN A 63 2.114 16.140 -25.933 1.00 43.50 N ATOM 0 H GLN A 63 -1.919 17.218 -22.514 1.00 30.53 H new ATOM 0 HA GLN A 63 -0.265 17.843 -24.807 1.00 44.33 H new ATOM 0 HB2 GLN A 63 -0.659 15.646 -22.877 1.00 43.14 H new ATOM 0 HB3 GLN A 63 -0.380 15.079 -24.512 1.00 43.14 H new ATOM 0 HG2 GLN A 63 1.456 17.233 -23.659 1.00 65.22 H new ATOM 0 HG3 GLN A 63 1.578 15.771 -22.701 1.00 65.22 H new ATOM 0 HE21 GLN A 63 1.597 17.011 -26.057 1.00 43.50 H new ATOM 0 HE22 GLN A 63 2.653 15.752 -26.707 1.00 43.50 H new ATOM 1000 N LEU A 64 -3.194 16.482 -25.140 1.00 22.53 N ATOM 1001 CA LEU A 64 -4.203 16.061 -26.105 1.00 44.12 C ATOM 1002 C LEU A 64 -4.844 17.267 -26.785 1.00 43.22 C ATOM 1003 O LEU A 64 -5.336 17.168 -27.908 1.00 2.22 O ATOM 1004 CB LEU A 64 -5.278 15.219 -25.414 1.00 23.11 C ATOM 1005 CG LEU A 64 -4.818 13.873 -24.855 1.00 74.22 C ATOM 1006 CD1 LEU A 64 -5.852 13.317 -23.888 1.00 54.43 C ATOM 1007 CD2 LEU A 64 -4.556 12.887 -25.983 1.00 12.33 C ATOM 0 H LEU A 64 -3.542 16.590 -24.187 1.00 22.53 H new ATOM 0 HA LEU A 64 -3.711 15.457 -26.867 1.00 44.12 H new ATOM 0 HB2 LEU A 64 -5.700 15.804 -24.597 1.00 23.11 H new ATOM 0 HB3 LEU A 64 -6.083 15.038 -26.126 1.00 23.11 H new ATOM 0 HG LEU A 64 -3.886 14.026 -24.311 1.00 74.22 H new ATOM 0 HD11 LEU A 64 -5.508 12.358 -23.500 1.00 54.43 H new ATOM 0 HD12 LEU A 64 -5.990 14.015 -23.062 1.00 54.43 H new ATOM 0 HD13 LEU A 64 -6.800 13.179 -24.408 1.00 54.43 H new ATOM 0 HD21 LEU A 64 -4.229 11.935 -25.565 1.00 12.33 H new ATOM 0 HD22 LEU A 64 -5.471 12.737 -26.555 1.00 12.33 H new ATOM 0 HD23 LEU A 64 -3.779 13.281 -26.638 1.00 12.33 H new ATOM 1019 N GLN A 65 -4.832 18.404 -26.097 1.00 65.34 N ATOM 1020 CA GLN A 65 -5.410 19.628 -26.635 1.00 14.43 C ATOM 1021 C GLN A 65 -4.861 19.924 -28.026 1.00 1.11 C ATOM 1022 O GLN A 65 -5.595 19.970 -29.014 1.00 65.44 O ATOM 1023 CB GLN A 65 -5.126 20.805 -25.701 1.00 32.23 C ATOM 1024 CG GLN A 65 -6.288 21.146 -24.781 1.00 31.51 C ATOM 1025 CD GLN A 65 -7.374 21.940 -25.481 1.00 23.20 C ATOM 1026 OE1 GLN A 65 -8.014 21.450 -26.412 1.00 33.51 O ATOM 1027 NE2 GLN A 65 -7.586 23.173 -25.037 1.00 71.03 N ATOM 0 H GLN A 65 -4.428 18.502 -25.166 1.00 65.34 H new ATOM 0 HA GLN A 65 -6.488 19.487 -26.712 1.00 14.43 H new ATOM 0 HB2 GLN A 65 -4.250 20.574 -25.095 1.00 32.23 H new ATOM 0 HB3 GLN A 65 -4.878 21.682 -26.300 1.00 32.23 H new ATOM 0 HG2 GLN A 65 -6.715 20.225 -24.385 1.00 31.51 H new ATOM 0 HG3 GLN A 65 -5.917 21.717 -23.930 1.00 31.51 H new ATOM 0 HE21 GLN A 65 -7.032 23.539 -24.263 1.00 71.03 H new ATOM 0 HE22 GLN A 65 -8.303 23.755 -25.470 1.00 71.03 H new ATOM 1036 N PRO A 66 -3.538 20.131 -28.109 1.00 61.10 N ATOM 1037 CA PRO A 66 -2.860 20.426 -29.375 1.00 2.20 C ATOM 1038 C PRO A 66 -2.829 19.222 -30.310 1.00 33.24 C ATOM 1039 O PRO A 66 -2.584 19.362 -31.509 1.00 52.12 O ATOM 1040 CB PRO A 66 -1.442 20.802 -28.939 1.00 60.23 C ATOM 1041 CG PRO A 66 -1.251 20.110 -27.634 1.00 53.14 C ATOM 1042 CD PRO A 66 -2.603 20.093 -26.973 1.00 64.23 C ATOM 0 HA PRO A 66 -3.369 21.209 -29.937 1.00 2.20 H new ATOM 0 HB2 PRO A 66 -0.703 20.477 -29.671 1.00 60.23 H new ATOM 0 HB3 PRO A 66 -1.333 21.881 -28.834 1.00 60.23 H new ATOM 0 HG2 PRO A 66 -0.875 19.097 -27.780 1.00 53.14 H new ATOM 0 HG3 PRO A 66 -0.521 20.635 -27.017 1.00 53.14 H new ATOM 0 HD2 PRO A 66 -2.743 19.198 -26.367 1.00 64.23 H new ATOM 0 HD3 PRO A 66 -2.738 20.949 -26.312 1.00 64.23 H new ATOM 1050 N SER A 67 -3.079 18.041 -29.755 1.00 71.13 N ATOM 1051 CA SER A 67 -3.077 16.812 -30.539 1.00 5.52 C ATOM 1052 C SER A 67 -4.418 16.610 -31.239 1.00 63.43 C ATOM 1053 O SER A 67 -4.496 15.961 -32.282 1.00 1.22 O ATOM 1054 CB SER A 67 -2.770 15.610 -29.644 1.00 61.42 C ATOM 1055 OG SER A 67 -1.657 14.881 -30.130 1.00 3.25 O ATOM 0 H SER A 67 -3.286 17.909 -28.765 1.00 71.13 H new ATOM 0 HA SER A 67 -2.300 16.898 -31.299 1.00 5.52 H new ATOM 0 HB2 SER A 67 -2.569 15.951 -28.628 1.00 61.42 H new ATOM 0 HB3 SER A 67 -3.642 14.958 -29.595 1.00 61.42 H new ATOM 0 HG SER A 67 -1.382 14.220 -29.461 1.00 3.25 H new ATOM 1061 N LEU A 68 -5.471 17.170 -30.655 1.00 35.34 N ATOM 1062 CA LEU A 68 -6.811 17.054 -31.220 1.00 10.51 C ATOM 1063 C LEU A 68 -6.821 17.468 -32.688 1.00 65.44 C ATOM 1064 O LEU A 68 -7.611 16.957 -33.481 1.00 25.23 O ATOM 1065 CB LEU A 68 -7.797 17.915 -30.429 1.00 54.44 C ATOM 1066 CG LEU A 68 -8.237 17.358 -29.074 1.00 61.23 C ATOM 1067 CD1 LEU A 68 -8.461 18.487 -28.080 1.00 44.11 C ATOM 1068 CD2 LEU A 68 -9.497 16.520 -29.226 1.00 74.35 C ATOM 0 H LEU A 68 -5.423 17.709 -29.790 1.00 35.34 H new ATOM 0 HA LEU A 68 -7.116 16.010 -31.154 1.00 10.51 H new ATOM 0 HB2 LEU A 68 -7.346 18.894 -30.268 1.00 54.44 H new ATOM 0 HB3 LEU A 68 -8.685 18.071 -31.041 1.00 54.44 H new ATOM 0 HG LEU A 68 -7.443 16.717 -28.691 1.00 61.23 H new ATOM 0 HD11 LEU A 68 -8.774 18.072 -27.122 1.00 44.11 H new ATOM 0 HD12 LEU A 68 -7.534 19.045 -27.948 1.00 44.11 H new ATOM 0 HD13 LEU A 68 -9.236 19.155 -28.456 1.00 44.11 H new ATOM 0 HD21 LEU A 68 -9.795 16.132 -28.252 1.00 74.35 H new ATOM 0 HD22 LEU A 68 -10.298 17.138 -29.631 1.00 74.35 H new ATOM 0 HD23 LEU A 68 -9.302 15.689 -29.903 1.00 74.35 H new ATOM 1080 N GLN A 69 -5.937 18.395 -33.041 1.00 21.34 N ATOM 1081 CA GLN A 69 -5.843 18.878 -34.414 1.00 43.35 C ATOM 1082 C GLN A 69 -5.644 17.718 -35.386 1.00 75.11 C ATOM 1083 O GLN A 69 -6.278 17.661 -36.439 1.00 15.43 O ATOM 1084 CB GLN A 69 -4.691 19.875 -34.550 1.00 53.35 C ATOM 1085 CG GLN A 69 -4.925 20.932 -35.617 1.00 34.13 C ATOM 1086 CD GLN A 69 -4.270 22.257 -35.278 1.00 31.14 C ATOM 1087 OE1 GLN A 69 -4.120 22.607 -34.107 1.00 2.35 O ATOM 1088 NE2 GLN A 69 -3.875 23.001 -36.305 1.00 33.43 N ATOM 0 H GLN A 69 -5.276 18.827 -32.396 1.00 21.34 H new ATOM 0 HA GLN A 69 -6.779 19.380 -34.660 1.00 43.35 H new ATOM 0 HB2 GLN A 69 -4.533 20.368 -33.591 1.00 53.35 H new ATOM 0 HB3 GLN A 69 -3.776 19.331 -34.784 1.00 53.35 H new ATOM 0 HG2 GLN A 69 -4.538 20.573 -36.570 1.00 34.13 H new ATOM 0 HG3 GLN A 69 -5.997 21.083 -35.745 1.00 34.13 H new ATOM 0 HE21 GLN A 69 -4.020 22.671 -37.259 1.00 33.43 H new ATOM 0 HE22 GLN A 69 -3.427 23.902 -36.139 1.00 33.43 H new ATOM 1097 N THR A 70 -4.759 16.795 -35.025 1.00 61.01 N ATOM 1098 CA THR A 70 -4.475 15.638 -35.865 1.00 62.43 C ATOM 1099 C THR A 70 -4.511 14.348 -35.053 1.00 22.21 C ATOM 1100 O THR A 70 -3.658 13.476 -35.217 1.00 33.14 O ATOM 1101 CB THR A 70 -3.100 15.764 -36.547 1.00 45.31 C ATOM 1102 OG1 THR A 70 -2.056 15.583 -35.584 1.00 71.11 O ATOM 1103 CG2 THR A 70 -2.950 17.121 -37.216 1.00 11.53 C ATOM 0 H THR A 70 -4.226 16.826 -34.156 1.00 61.01 H new ATOM 0 HA THR A 70 -5.250 15.604 -36.630 1.00 62.43 H new ATOM 0 HB THR A 70 -3.026 14.990 -37.311 1.00 45.31 H new ATOM 0 HG1 THR A 70 -2.028 14.644 -35.304 1.00 71.11 H new ATOM 0 HG21 THR A 70 -1.971 17.186 -37.691 1.00 11.53 H new ATOM 0 HG22 THR A 70 -3.728 17.243 -37.970 1.00 11.53 H new ATOM 0 HG23 THR A 70 -3.044 17.908 -36.468 1.00 11.53 H new ATOM 1111 N GLY A 71 -5.504 14.232 -34.177 1.00 4.44 N ATOM 1112 CA GLY A 71 -5.633 13.045 -33.354 1.00 52.23 C ATOM 1113 C GLY A 71 -6.440 11.955 -34.030 1.00 51.32 C ATOM 1114 O GLY A 71 -7.063 12.186 -35.067 1.00 74.30 O ATOM 0 H GLY A 71 -6.222 14.940 -34.023 1.00 4.44 H new ATOM 0 HA2 GLY A 71 -4.641 12.663 -33.115 1.00 52.23 H new ATOM 0 HA3 GLY A 71 -6.108 13.311 -32.410 1.00 52.23 H new ATOM 1118 N SER A 72 -6.430 10.762 -33.445 1.00 64.44 N ATOM 1119 CA SER A 72 -7.162 9.630 -34.000 1.00 11.41 C ATOM 1120 C SER A 72 -8.249 9.160 -33.037 1.00 64.52 C ATOM 1121 O SER A 72 -8.516 9.806 -32.025 1.00 62.04 O ATOM 1122 CB SER A 72 -6.205 8.477 -34.309 1.00 24.33 C ATOM 1123 OG SER A 72 -5.854 7.775 -33.130 1.00 22.44 O ATOM 0 H SER A 72 -5.922 10.554 -32.585 1.00 64.44 H new ATOM 0 HA SER A 72 -7.637 9.956 -34.925 1.00 11.41 H new ATOM 0 HB2 SER A 72 -6.672 7.793 -35.018 1.00 24.33 H new ATOM 0 HB3 SER A 72 -5.305 8.865 -34.786 1.00 24.33 H new ATOM 0 HG SER A 72 -6.150 6.844 -33.203 1.00 22.44 H new ATOM 1129 N GLU A 73 -8.869 8.030 -33.361 1.00 62.11 N ATOM 1130 CA GLU A 73 -9.926 7.473 -32.525 1.00 14.24 C ATOM 1131 C GLU A 73 -9.455 7.320 -31.082 1.00 10.21 C ATOM 1132 O GLU A 73 -10.203 7.588 -30.142 1.00 1.22 O ATOM 1133 CB GLU A 73 -10.379 6.118 -33.072 1.00 1.41 C ATOM 1134 CG GLU A 73 -11.109 6.211 -34.401 1.00 32.21 C ATOM 1135 CD GLU A 73 -10.252 5.769 -35.571 1.00 64.44 C ATOM 1136 OE1 GLU A 73 -9.461 6.595 -36.073 1.00 43.32 O1- ATOM 1137 OE2 GLU A 73 -10.370 4.596 -35.983 1.00 71.24 O ATOM 0 H GLU A 73 -8.658 7.483 -34.195 1.00 62.11 H new ATOM 0 HA GLU A 73 -10.769 8.164 -32.542 1.00 14.24 H new ATOM 0 HB2 GLU A 73 -9.508 5.474 -33.190 1.00 1.41 H new ATOM 0 HB3 GLU A 73 -11.032 5.641 -32.341 1.00 1.41 H new ATOM 0 HG2 GLU A 73 -12.008 5.596 -34.361 1.00 32.21 H new ATOM 0 HG3 GLU A 73 -11.434 7.239 -34.562 1.00 32.21 H new ATOM 1144 N GLU A 74 -8.210 6.886 -30.915 1.00 45.41 N ATOM 1145 CA GLU A 74 -7.640 6.696 -29.587 1.00 63.43 C ATOM 1146 C GLU A 74 -7.487 8.030 -28.864 1.00 64.41 C ATOM 1147 O GLU A 74 -7.836 8.157 -27.690 1.00 13.13 O ATOM 1148 CB GLU A 74 -6.280 5.998 -29.686 1.00 12.12 C ATOM 1149 CG GLU A 74 -6.376 4.535 -30.084 1.00 62.12 C ATOM 1150 CD GLU A 74 -5.824 4.271 -31.472 1.00 31.30 C ATOM 1151 OE1 GLU A 74 -6.437 4.743 -32.452 1.00 3.42 O ATOM 1152 OE2 GLU A 74 -4.781 3.593 -31.578 1.00 54.44 O1- ATOM 0 H GLU A 74 -7.577 6.660 -31.682 1.00 45.41 H new ATOM 0 HA GLU A 74 -8.322 6.068 -29.014 1.00 63.43 H new ATOM 0 HB2 GLU A 74 -5.663 6.524 -30.414 1.00 12.12 H new ATOM 0 HB3 GLU A 74 -5.772 6.072 -28.724 1.00 12.12 H new ATOM 0 HG2 GLU A 74 -5.832 3.929 -29.359 1.00 62.12 H new ATOM 0 HG3 GLU A 74 -7.419 4.219 -30.045 1.00 62.12 H new ATOM 1159 N LEU A 75 -6.960 9.024 -29.572 1.00 13.41 N ATOM 1160 CA LEU A 75 -6.760 10.350 -29.000 1.00 21.12 C ATOM 1161 C LEU A 75 -8.084 10.949 -28.537 1.00 25.12 C ATOM 1162 O LEU A 75 -8.226 11.349 -27.381 1.00 52.41 O ATOM 1163 CB LEU A 75 -6.098 11.275 -30.023 1.00 41.51 C ATOM 1164 CG LEU A 75 -5.184 12.361 -29.455 1.00 54.15 C ATOM 1165 CD1 LEU A 75 -3.898 12.452 -30.260 1.00 14.41 C ATOM 1166 CD2 LEU A 75 -5.901 13.704 -29.435 1.00 41.21 C ATOM 0 H LEU A 75 -6.664 8.936 -30.544 1.00 13.41 H new ATOM 0 HA LEU A 75 -6.106 10.250 -28.134 1.00 21.12 H new ATOM 0 HB2 LEU A 75 -5.517 10.663 -30.713 1.00 41.51 H new ATOM 0 HB3 LEU A 75 -6.882 11.757 -30.607 1.00 41.51 H new ATOM 0 HG LEU A 75 -4.927 12.094 -28.430 1.00 54.15 H new ATOM 0 HD11 LEU A 75 -3.261 13.230 -29.841 1.00 14.41 H new ATOM 0 HD12 LEU A 75 -3.376 11.496 -30.222 1.00 14.41 H new ATOM 0 HD13 LEU A 75 -4.134 12.695 -31.296 1.00 14.41 H new ATOM 0 HD21 LEU A 75 -5.236 14.466 -29.028 1.00 41.21 H new ATOM 0 HD22 LEU A 75 -6.188 13.978 -30.450 1.00 41.21 H new ATOM 0 HD23 LEU A 75 -6.793 13.631 -28.813 1.00 41.21 H new ATOM 1178 N ARG A 76 -9.050 11.008 -29.447 1.00 55.30 N ATOM 1179 CA ARG A 76 -10.365 11.557 -29.133 1.00 62.25 C ATOM 1180 C ARG A 76 -10.951 10.888 -27.893 1.00 40.30 C ATOM 1181 O ARG A 76 -11.381 11.562 -26.956 1.00 45.32 O ATOM 1182 CB ARG A 76 -11.313 11.378 -30.319 1.00 20.51 C ATOM 1183 CG ARG A 76 -11.826 12.689 -30.893 1.00 73.45 C ATOM 1184 CD ARG A 76 -12.847 13.339 -29.971 1.00 43.32 C ATOM 1185 NE ARG A 76 -13.478 14.502 -30.587 1.00 11.52 N ATOM 1186 CZ ARG A 76 -14.400 15.244 -29.984 1.00 51.03 C ATOM 1187 NH1 ARG A 76 -14.795 14.945 -28.753 1.00 3.32 N1+ ATOM 1188 NH2 ARG A 76 -14.928 16.288 -30.610 1.00 54.44 N ATOM 0 H ARG A 76 -8.948 10.683 -30.408 1.00 55.30 H new ATOM 0 HA ARG A 76 -10.247 12.621 -28.929 1.00 62.25 H new ATOM 0 HB2 ARG A 76 -10.798 10.824 -31.104 1.00 20.51 H new ATOM 0 HB3 ARG A 76 -12.163 10.771 -30.006 1.00 20.51 H new ATOM 0 HG2 ARG A 76 -10.990 13.371 -31.050 1.00 73.45 H new ATOM 0 HG3 ARG A 76 -12.278 12.508 -31.868 1.00 73.45 H new ATOM 0 HD2 ARG A 76 -13.612 12.609 -29.706 1.00 43.32 H new ATOM 0 HD3 ARG A 76 -12.359 13.640 -29.044 1.00 43.32 H new ATOM 0 HE ARG A 76 -13.195 14.759 -31.533 1.00 11.52 H new ATOM 0 HH11 ARG A 76 -14.390 14.144 -28.268 1.00 3.32 H new ATOM 0 HH12 ARG A 76 -15.503 15.516 -28.292 1.00 3.32 H new ATOM 0 HH21 ARG A 76 -14.626 16.522 -31.556 1.00 54.44 H new ATOM 0 HH22 ARG A 76 -15.636 16.857 -30.145 1.00 54.44 H new ATOM 1202 N SER A 77 -10.966 9.559 -27.895 1.00 43.34 N ATOM 1203 CA SER A 77 -11.503 8.799 -26.773 1.00 53.31 C ATOM 1204 C SER A 77 -10.869 9.246 -25.460 1.00 21.43 C ATOM 1205 O SER A 77 -11.543 9.345 -24.433 1.00 62.22 O ATOM 1206 CB SER A 77 -11.265 7.302 -26.983 1.00 41.22 C ATOM 1207 OG SER A 77 -12.285 6.731 -27.785 1.00 11.11 O ATOM 0 H SER A 77 -10.612 8.986 -28.661 1.00 43.34 H new ATOM 0 HA SER A 77 -12.576 8.986 -26.721 1.00 53.31 H new ATOM 0 HB2 SER A 77 -10.296 7.148 -27.457 1.00 41.22 H new ATOM 0 HB3 SER A 77 -11.231 6.797 -26.018 1.00 41.22 H new ATOM 0 HG SER A 77 -12.109 5.775 -27.906 1.00 11.11 H new ATOM 1213 N LEU A 78 -9.569 9.516 -25.500 1.00 43.35 N ATOM 1214 CA LEU A 78 -8.841 9.953 -24.314 1.00 71.23 C ATOM 1215 C LEU A 78 -9.377 11.289 -23.808 1.00 70.12 C ATOM 1216 O LEU A 78 -9.798 11.405 -22.657 1.00 41.12 O ATOM 1217 CB LEU A 78 -7.347 10.074 -24.623 1.00 13.03 C ATOM 1218 CG LEU A 78 -6.460 8.945 -24.098 1.00 52.14 C ATOM 1219 CD1 LEU A 78 -6.596 8.817 -22.588 1.00 73.01 C ATOM 1220 CD2 LEU A 78 -6.809 7.631 -24.779 1.00 51.54 C ATOM 0 H LEU A 78 -8.997 9.440 -26.341 1.00 43.35 H new ATOM 0 HA LEU A 78 -8.985 9.205 -23.534 1.00 71.23 H new ATOM 0 HB2 LEU A 78 -7.224 10.133 -25.704 1.00 13.03 H new ATOM 0 HB3 LEU A 78 -6.986 11.015 -24.209 1.00 13.03 H new ATOM 0 HG LEU A 78 -5.423 9.187 -24.330 1.00 52.14 H new ATOM 0 HD11 LEU A 78 -5.957 8.008 -22.232 1.00 73.01 H new ATOM 0 HD12 LEU A 78 -6.295 9.752 -22.115 1.00 73.01 H new ATOM 0 HD13 LEU A 78 -7.633 8.599 -22.333 1.00 73.01 H new ATOM 0 HD21 LEU A 78 -6.167 6.839 -24.392 1.00 51.54 H new ATOM 0 HD22 LEU A 78 -7.851 7.383 -24.579 1.00 51.54 H new ATOM 0 HD23 LEU A 78 -6.659 7.727 -25.854 1.00 51.54 H new ATOM 1232 N TYR A 79 -9.361 12.294 -24.677 1.00 61.54 N ATOM 1233 CA TYR A 79 -9.844 13.622 -24.318 1.00 51.04 C ATOM 1234 C TYR A 79 -11.248 13.548 -23.725 1.00 2.33 C ATOM 1235 O TYR A 79 -11.625 14.368 -22.890 1.00 72.41 O ATOM 1236 CB TYR A 79 -9.844 14.535 -25.545 1.00 33.41 C ATOM 1237 CG TYR A 79 -9.623 15.994 -25.213 1.00 30.33 C ATOM 1238 CD1 TYR A 79 -8.437 16.422 -24.629 1.00 45.44 C ATOM 1239 CD2 TYR A 79 -10.600 16.944 -25.481 1.00 30.35 C ATOM 1240 CE1 TYR A 79 -8.230 17.753 -24.323 1.00 23.10 C ATOM 1241 CE2 TYR A 79 -10.402 18.278 -25.180 1.00 52.45 C ATOM 1242 CZ TYR A 79 -9.216 18.677 -24.601 1.00 21.14 C ATOM 1243 OH TYR A 79 -9.015 20.005 -24.298 1.00 44.12 O ATOM 0 H TYR A 79 -9.019 12.214 -25.635 1.00 61.54 H new ATOM 0 HA TYR A 79 -9.172 14.035 -23.565 1.00 51.04 H new ATOM 0 HB2 TYR A 79 -9.065 14.205 -26.233 1.00 33.41 H new ATOM 0 HB3 TYR A 79 -10.795 14.430 -26.066 1.00 33.41 H new ATOM 0 HD1 TYR A 79 -7.663 15.701 -24.410 1.00 45.44 H new ATOM 0 HD2 TYR A 79 -11.531 16.635 -25.933 1.00 30.35 H new ATOM 0 HE1 TYR A 79 -7.302 18.068 -23.869 1.00 23.10 H new ATOM 0 HE2 TYR A 79 -11.172 19.004 -25.397 1.00 52.45 H new ATOM 0 HH TYR A 79 -9.389 20.563 -25.011 1.00 44.12 H new ATOM 1253 N ASN A 80 -12.017 12.557 -24.164 1.00 51.24 N ATOM 1254 CA ASN A 80 -13.380 12.374 -23.677 1.00 4.34 C ATOM 1255 C ASN A 80 -13.381 11.809 -22.260 1.00 23.13 C ATOM 1256 O ASN A 80 -13.981 12.384 -21.351 1.00 24.03 O ATOM 1257 CB ASN A 80 -14.156 11.442 -24.611 1.00 75.20 C ATOM 1258 CG ASN A 80 -14.338 12.031 -25.996 1.00 41.01 C ATOM 1259 OD1 ASN A 80 -13.951 13.171 -26.255 1.00 73.31 O ATOM 1260 ND2 ASN A 80 -14.928 11.253 -26.896 1.00 21.35 N ATOM 0 H ASN A 80 -11.720 11.869 -24.856 1.00 51.24 H new ATOM 0 HA ASN A 80 -13.867 13.349 -23.660 1.00 4.34 H new ATOM 0 HB2 ASN A 80 -13.629 10.491 -24.690 1.00 75.20 H new ATOM 0 HB3 ASN A 80 -15.134 11.230 -24.178 1.00 75.20 H new ATOM 0 HD21 ASN A 80 -15.076 11.594 -27.846 1.00 21.35 H new ATOM 0 HD22 ASN A 80 -15.233 10.315 -26.637 1.00 21.35 H new ATOM 1267 N THR A 81 -12.704 10.680 -22.079 1.00 73.21 N ATOM 1268 CA THR A 81 -12.627 10.037 -20.774 1.00 74.52 C ATOM 1269 C THR A 81 -11.957 10.948 -19.751 1.00 50.13 C ATOM 1270 O THR A 81 -12.515 11.218 -18.687 1.00 63.21 O ATOM 1271 CB THR A 81 -11.851 8.708 -20.847 1.00 2.21 C ATOM 1272 OG1 THR A 81 -12.407 7.872 -21.869 1.00 71.21 O ATOM 1273 CG2 THR A 81 -11.894 7.982 -19.511 1.00 70.31 C ATOM 0 H THR A 81 -12.201 10.192 -22.820 1.00 73.21 H new ATOM 0 HA THR A 81 -13.651 9.834 -20.461 1.00 74.52 H new ATOM 0 HB THR A 81 -10.812 8.932 -21.087 1.00 2.21 H new ATOM 0 HG1 THR A 81 -12.142 8.211 -22.749 1.00 71.21 H new ATOM 0 HG21 THR A 81 -11.339 7.047 -19.587 1.00 70.31 H new ATOM 0 HG22 THR A 81 -11.444 8.609 -18.741 1.00 70.31 H new ATOM 0 HG23 THR A 81 -12.930 7.769 -19.246 1.00 70.31 H new ATOM 1281 N ILE A 82 -10.758 11.418 -20.080 1.00 63.15 N ATOM 1282 CA ILE A 82 -10.013 12.299 -19.189 1.00 15.24 C ATOM 1283 C ILE A 82 -10.829 13.537 -18.833 1.00 22.14 C ATOM 1284 O ILE A 82 -10.618 14.153 -17.789 1.00 24.13 O ATOM 1285 CB ILE A 82 -8.679 12.740 -19.821 1.00 33.23 C ATOM 1286 CG1 ILE A 82 -7.822 11.520 -20.160 1.00 72.15 C ATOM 1287 CG2 ILE A 82 -7.933 13.676 -18.882 1.00 73.52 C ATOM 1288 CD1 ILE A 82 -6.723 11.812 -21.157 1.00 0.10 C ATOM 0 H ILE A 82 -10.282 11.203 -20.956 1.00 63.15 H new ATOM 0 HA ILE A 82 -9.806 11.731 -18.282 1.00 15.24 H new ATOM 0 HB ILE A 82 -8.891 13.278 -20.745 1.00 33.23 H new ATOM 0 HG12 ILE A 82 -7.377 11.133 -19.244 1.00 72.15 H new ATOM 0 HG13 ILE A 82 -8.464 10.735 -20.559 1.00 72.15 H new ATOM 0 HG21 ILE A 82 -6.992 13.979 -19.342 1.00 73.52 H new ATOM 0 HG22 ILE A 82 -8.543 14.558 -18.687 1.00 73.52 H new ATOM 0 HG23 ILE A 82 -7.728 13.162 -17.943 1.00 73.52 H new ATOM 0 HD11 ILE A 82 -6.156 10.902 -21.350 1.00 0.10 H new ATOM 0 HD12 ILE A 82 -7.162 12.170 -22.088 1.00 0.10 H new ATOM 0 HD13 ILE A 82 -6.058 12.575 -20.752 1.00 0.10 H new ATOM 1300 N ALA A 83 -11.764 13.895 -19.708 1.00 21.13 N ATOM 1301 CA ALA A 83 -12.614 15.058 -19.485 1.00 51.33 C ATOM 1302 C ALA A 83 -13.666 14.771 -18.418 1.00 0.14 C ATOM 1303 O ALA A 83 -13.703 15.426 -17.377 1.00 63.32 O ATOM 1304 CB ALA A 83 -13.280 15.482 -20.785 1.00 72.22 C ATOM 0 H ALA A 83 -11.952 13.396 -20.578 1.00 21.13 H new ATOM 0 HA ALA A 83 -11.986 15.874 -19.129 1.00 51.33 H new ATOM 0 HB1 ALA A 83 -13.912 16.352 -20.603 1.00 72.22 H new ATOM 0 HB2 ALA A 83 -12.516 15.736 -21.519 1.00 72.22 H new ATOM 0 HB3 ALA A 83 -13.891 14.663 -21.165 1.00 72.22 H new ATOM 1310 N VAL A 84 -14.521 13.788 -18.686 1.00 71.43 N ATOM 1311 CA VAL A 84 -15.573 13.415 -17.748 1.00 52.12 C ATOM 1312 C VAL A 84 -15.006 13.168 -16.354 1.00 41.30 C ATOM 1313 O VAL A 84 -15.629 13.510 -15.348 1.00 24.25 O ATOM 1314 CB VAL A 84 -16.320 12.153 -18.217 1.00 52.21 C ATOM 1315 CG1 VAL A 84 -17.395 11.764 -17.213 1.00 22.14 C ATOM 1316 CG2 VAL A 84 -16.922 12.372 -19.596 1.00 1.04 C ATOM 0 H VAL A 84 -14.505 13.237 -19.544 1.00 71.43 H new ATOM 0 HA VAL A 84 -16.273 14.250 -17.709 1.00 52.12 H new ATOM 0 HB VAL A 84 -15.605 11.333 -18.284 1.00 52.21 H new ATOM 0 HG11 VAL A 84 -17.912 10.870 -17.562 1.00 22.14 H new ATOM 0 HG12 VAL A 84 -16.934 11.563 -16.246 1.00 22.14 H new ATOM 0 HG13 VAL A 84 -18.110 12.580 -17.111 1.00 22.14 H new ATOM 0 HG21 VAL A 84 -17.446 11.470 -19.912 1.00 1.04 H new ATOM 0 HG22 VAL A 84 -17.624 13.205 -19.558 1.00 1.04 H new ATOM 0 HG23 VAL A 84 -16.128 12.598 -20.308 1.00 1.04 H new ATOM 1326 N LEU A 85 -13.820 12.571 -16.301 1.00 44.31 N ATOM 1327 CA LEU A 85 -13.166 12.278 -15.030 1.00 10.25 C ATOM 1328 C LEU A 85 -12.640 13.554 -14.382 1.00 33.31 C ATOM 1329 O LEU A 85 -12.917 13.828 -13.214 1.00 35.40 O ATOM 1330 CB LEU A 85 -12.019 11.289 -15.240 1.00 2.22 C ATOM 1331 CG LEU A 85 -11.663 10.410 -14.042 1.00 53.32 C ATOM 1332 CD1 LEU A 85 -12.508 9.145 -14.037 1.00 10.11 C ATOM 1333 CD2 LEU A 85 -10.182 10.063 -14.056 1.00 1.11 C ATOM 0 H LEU A 85 -13.292 12.280 -17.124 1.00 44.31 H new ATOM 0 HA LEU A 85 -13.905 11.832 -14.364 1.00 10.25 H new ATOM 0 HB2 LEU A 85 -12.274 10.640 -16.078 1.00 2.22 H new ATOM 0 HB3 LEU A 85 -11.131 11.850 -15.530 1.00 2.22 H new ATOM 0 HG LEU A 85 -11.877 10.969 -13.131 1.00 53.32 H new ATOM 0 HD11 LEU A 85 -12.240 8.532 -13.177 1.00 10.11 H new ATOM 0 HD12 LEU A 85 -13.563 9.412 -13.978 1.00 10.11 H new ATOM 0 HD13 LEU A 85 -12.327 8.583 -14.953 1.00 10.11 H new ATOM 0 HD21 LEU A 85 -9.947 9.437 -13.195 1.00 1.11 H new ATOM 0 HD22 LEU A 85 -9.943 9.524 -14.973 1.00 1.11 H new ATOM 0 HD23 LEU A 85 -9.593 10.979 -14.010 1.00 1.11 H new ATOM 1345 N TYR A 86 -11.882 14.332 -15.147 1.00 53.54 N ATOM 1346 CA TYR A 86 -11.318 15.580 -14.646 1.00 42.44 C ATOM 1347 C TYR A 86 -12.400 16.457 -14.027 1.00 74.33 C ATOM 1348 O TYR A 86 -12.255 16.939 -12.902 1.00 14.14 O ATOM 1349 CB TYR A 86 -10.617 16.335 -15.776 1.00 23.30 C ATOM 1350 CG TYR A 86 -10.183 17.732 -15.392 1.00 44.32 C ATOM 1351 CD1 TYR A 86 -9.164 17.936 -14.470 1.00 1.32 C ATOM 1352 CD2 TYR A 86 -10.792 18.848 -15.953 1.00 23.14 C ATOM 1353 CE1 TYR A 86 -8.765 19.211 -14.117 1.00 55.44 C ATOM 1354 CE2 TYR A 86 -10.399 20.126 -15.606 1.00 22.20 C ATOM 1355 CZ TYR A 86 -9.386 20.302 -14.687 1.00 31.41 C ATOM 1356 OH TYR A 86 -8.990 21.572 -14.338 1.00 34.44 O ATOM 0 H TYR A 86 -11.644 14.121 -16.116 1.00 53.54 H new ATOM 0 HA TYR A 86 -10.589 15.336 -13.873 1.00 42.44 H new ATOM 0 HB2 TYR A 86 -9.743 15.767 -16.094 1.00 23.30 H new ATOM 0 HB3 TYR A 86 -11.288 16.395 -16.633 1.00 23.30 H new ATOM 0 HD1 TYR A 86 -8.675 17.084 -14.022 1.00 1.32 H new ATOM 0 HD2 TYR A 86 -11.586 18.714 -16.673 1.00 23.14 H new ATOM 0 HE1 TYR A 86 -7.971 19.352 -13.399 1.00 55.44 H new ATOM 0 HE2 TYR A 86 -10.882 20.983 -16.052 1.00 22.20 H new ATOM 0 HH TYR A 86 -9.526 22.229 -14.830 1.00 34.44 H new ATOM 1366 N CYS A 87 -13.483 16.661 -14.767 1.00 13.52 N ATOM 1367 CA CYS A 87 -14.592 17.481 -14.292 1.00 0.31 C ATOM 1368 C CYS A 87 -15.054 17.024 -12.912 1.00 62.23 C ATOM 1369 O CYS A 87 -15.452 17.838 -12.078 1.00 3.42 O ATOM 1370 CB CYS A 87 -15.759 17.421 -15.279 1.00 44.32 C ATOM 1371 SG CYS A 87 -15.527 18.434 -16.758 1.00 20.14 S ATOM 0 H CYS A 87 -13.618 16.270 -15.699 1.00 13.52 H new ATOM 0 HA CYS A 87 -14.243 18.511 -14.216 1.00 0.31 H new ATOM 0 HB2 CYS A 87 -15.912 16.385 -15.581 1.00 44.32 H new ATOM 0 HB3 CYS A 87 -16.668 17.742 -14.770 1.00 44.32 H new ATOM 0 HG CYS A 87 -16.565 18.316 -17.532 1.00 20.14 H new ATOM 1377 N VAL A 88 -14.999 15.716 -12.678 1.00 35.23 N ATOM 1378 CA VAL A 88 -15.412 15.151 -11.399 1.00 23.21 C ATOM 1379 C VAL A 88 -14.440 15.535 -10.289 1.00 13.22 C ATOM 1380 O VAL A 88 -14.850 16.001 -9.225 1.00 63.24 O ATOM 1381 CB VAL A 88 -15.512 13.615 -11.471 1.00 21.43 C ATOM 1382 CG1 VAL A 88 -15.965 13.046 -10.135 1.00 33.13 C ATOM 1383 CG2 VAL A 88 -16.456 13.195 -12.587 1.00 20.10 C ATOM 0 H VAL A 88 -14.673 15.029 -13.357 1.00 35.23 H new ATOM 0 HA VAL A 88 -16.396 15.562 -11.174 1.00 23.21 H new ATOM 0 HB VAL A 88 -14.523 13.214 -11.693 1.00 21.43 H new ATOM 0 HG11 VAL A 88 -16.030 11.960 -10.205 1.00 33.13 H new ATOM 0 HG12 VAL A 88 -15.247 13.317 -9.362 1.00 33.13 H new ATOM 0 HG13 VAL A 88 -16.944 13.452 -9.880 1.00 33.13 H new ATOM 0 HG21 VAL A 88 -16.515 12.107 -12.624 1.00 20.10 H new ATOM 0 HG22 VAL A 88 -17.448 13.606 -12.399 1.00 20.10 H new ATOM 0 HG23 VAL A 88 -16.083 13.570 -13.540 1.00 20.10 H new ATOM 1393 N HIS A 89 -13.151 15.337 -10.543 1.00 2.34 N ATOM 1394 CA HIS A 89 -12.119 15.664 -9.565 1.00 11.51 C ATOM 1395 C HIS A 89 -12.127 17.156 -9.247 1.00 75.35 C ATOM 1396 O HIS A 89 -11.637 17.506 -8.173 1.00 64.01 O ATOM 1397 CB HIS A 89 -10.743 15.251 -10.088 1.00 45.15 C ATOM 1398 CG HIS A 89 -10.558 13.767 -10.182 1.00 74.25 C ATOM 1399 ND1 HIS A 89 -11.263 12.870 -9.407 1.00 62.33 N ATOM 1400 CD2 HIS A 89 -9.744 13.024 -10.967 1.00 51.54 C ATOM 1401 CE1 HIS A 89 -10.890 11.640 -9.710 1.00 23.22 C ATOM 1402 NE2 HIS A 89 -9.968 11.706 -10.656 1.00 54.21 N ATOM 0 H HIS A 89 -12.796 14.952 -11.418 1.00 2.34 H new ATOM 0 HA HIS A 89 -12.332 15.113 -8.649 1.00 11.51 H new ATOM 0 HB2 HIS A 89 -10.591 15.691 -11.074 1.00 45.15 H new ATOM 0 HB3 HIS A 89 -9.976 15.664 -9.433 1.00 45.15 H new ATOM 0 HD1 HIS A 89 -11.964 13.118 -8.708 1.00 62.33 H new ATOM 0 HD2 HIS A 89 -9.047 13.399 -11.702 1.00 51.54 H new ATOM 0 HE1 HIS A 89 -11.272 10.735 -9.262 1.00 23.22 H new ATOM 0 HE2 HIS A 89 -9.500 10.908 -11.085 1.00 54.21 H new ATOM 1411 N GLN A 90 -12.653 18.011 -10.117 1.00 21.54 N ATOM 1412 CA GLN A 90 -12.682 19.445 -9.855 1.00 21.15 C ATOM 1413 C GLN A 90 -13.996 19.852 -9.197 1.00 32.31 C ATOM 1414 O GLN A 90 -14.024 20.229 -8.025 1.00 52.22 O ATOM 1415 CB GLN A 90 -12.486 20.228 -11.155 1.00 51.42 C ATOM 1416 CG GLN A 90 -11.043 20.630 -11.411 1.00 1.30 C ATOM 1417 CD GLN A 90 -10.531 21.640 -10.403 1.00 52.35 C ATOM 1418 OE1 GLN A 90 -11.312 22.291 -9.709 1.00 22.54 O ATOM 1419 NE2 GLN A 90 -9.213 21.775 -10.317 1.00 44.32 N ATOM 0 H GLN A 90 -13.065 17.736 -11.009 1.00 21.54 H new ATOM 0 HA GLN A 90 -11.866 19.679 -9.172 1.00 21.15 H new ATOM 0 HB2 GLN A 90 -12.840 19.624 -11.990 1.00 51.42 H new ATOM 0 HB3 GLN A 90 -13.105 21.125 -11.126 1.00 51.42 H new ATOM 0 HG2 GLN A 90 -10.412 19.742 -11.382 1.00 1.30 H new ATOM 0 HG3 GLN A 90 -10.959 21.049 -12.414 1.00 1.30 H new ATOM 0 HE21 GLN A 90 -8.603 21.214 -10.912 1.00 44.32 H new ATOM 0 HE22 GLN A 90 -8.810 22.439 -9.656 1.00 44.32 H new ATOM 1428 N ARG A 91 -15.083 19.774 -9.958 1.00 53.14 N ATOM 1429 CA ARG A 91 -16.400 20.134 -9.449 1.00 31.22 C ATOM 1430 C ARG A 91 -17.470 19.935 -10.519 1.00 31.43 C ATOM 1431 O ARG A 91 -18.581 19.493 -10.225 1.00 32.22 O ATOM 1432 CB ARG A 91 -16.406 21.588 -8.971 1.00 64.03 C ATOM 1433 CG ARG A 91 -16.885 21.756 -7.538 1.00 4.44 C ATOM 1434 CD ARG A 91 -18.235 22.454 -7.482 1.00 21.42 C ATOM 1435 NE ARG A 91 -18.489 23.048 -6.171 1.00 2.33 N ATOM 1436 CZ ARG A 91 -19.508 23.863 -5.920 1.00 64.34 C ATOM 1437 NH1 ARG A 91 -20.362 24.179 -6.882 1.00 20.25 N1+ ATOM 1438 NH2 ARG A 91 -19.672 24.363 -4.701 1.00 2.02 N ATOM 0 H ARG A 91 -15.077 19.464 -10.930 1.00 53.14 H new ATOM 0 HA ARG A 91 -16.627 19.481 -8.607 1.00 31.22 H new ATOM 0 HB2 ARG A 91 -15.398 21.994 -9.058 1.00 64.03 H new ATOM 0 HB3 ARG A 91 -17.045 22.176 -9.630 1.00 64.03 H new ATOM 0 HG2 ARG A 91 -16.959 20.779 -7.061 1.00 4.44 H new ATOM 0 HG3 ARG A 91 -16.152 22.332 -6.973 1.00 4.44 H new ATOM 0 HD2 ARG A 91 -18.274 23.231 -8.246 1.00 21.42 H new ATOM 0 HD3 ARG A 91 -19.023 21.738 -7.715 1.00 21.42 H new ATOM 0 HE ARG A 91 -17.850 22.825 -5.408 1.00 2.33 H new ATOM 0 HH11 ARG A 91 -20.239 23.796 -7.819 1.00 20.25 H new ATOM 0 HH12 ARG A 91 -21.143 24.805 -6.685 1.00 20.25 H new ATOM 0 HH21 ARG A 91 -19.016 24.121 -3.958 1.00 2.02 H new ATOM 0 HH22 ARG A 91 -20.454 24.989 -4.507 1.00 2.02 H new ATOM 1452 N ILE A 92 -17.127 20.266 -11.759 1.00 13.04 N ATOM 1453 CA ILE A 92 -18.057 20.124 -12.873 1.00 74.41 C ATOM 1454 C ILE A 92 -18.652 18.720 -12.915 1.00 3.14 C ATOM 1455 O ILE A 92 -17.928 17.726 -12.865 1.00 21.34 O ATOM 1456 CB ILE A 92 -17.373 20.421 -14.220 1.00 63.21 C ATOM 1457 CG1 ILE A 92 -16.793 21.837 -14.221 1.00 53.40 C ATOM 1458 CG2 ILE A 92 -18.359 20.245 -15.365 1.00 61.50 C ATOM 1459 CD1 ILE A 92 -15.284 21.872 -14.311 1.00 4.41 C ATOM 0 H ILE A 92 -16.212 20.634 -12.018 1.00 13.04 H new ATOM 0 HA ILE A 92 -18.854 20.850 -12.714 1.00 74.41 H new ATOM 0 HB ILE A 92 -16.555 19.714 -14.359 1.00 63.21 H new ATOM 0 HG12 ILE A 92 -17.212 22.392 -15.061 1.00 53.40 H new ATOM 0 HG13 ILE A 92 -17.107 22.350 -13.312 1.00 53.40 H new ATOM 0 HG21 ILE A 92 -17.860 20.459 -16.311 1.00 61.50 H new ATOM 0 HG22 ILE A 92 -18.728 19.219 -15.373 1.00 61.50 H new ATOM 0 HG23 ILE A 92 -19.196 20.931 -15.233 1.00 61.50 H new ATOM 0 HD11 ILE A 92 -14.943 22.907 -14.307 1.00 4.41 H new ATOM 0 HD12 ILE A 92 -14.856 21.346 -13.458 1.00 4.41 H new ATOM 0 HD13 ILE A 92 -14.963 21.388 -15.234 1.00 4.41 H new ATOM 1471 N ASP A 93 -19.975 18.647 -13.010 1.00 64.21 N ATOM 1472 CA ASP A 93 -20.668 17.365 -13.064 1.00 32.32 C ATOM 1473 C ASP A 93 -21.521 17.261 -14.323 1.00 15.52 C ATOM 1474 O ASP A 93 -22.732 17.047 -14.251 1.00 25.23 O ATOM 1475 CB ASP A 93 -21.544 17.183 -11.823 1.00 33.41 C ATOM 1476 CG ASP A 93 -20.749 16.729 -10.615 1.00 71.23 C ATOM 1477 OD1 ASP A 93 -19.560 16.386 -10.781 1.00 42.52 O1- ATOM 1478 OD2 ASP A 93 -21.316 16.716 -9.502 1.00 74.54 O ATOM 0 H ASP A 93 -20.589 19.460 -13.051 1.00 64.21 H new ATOM 0 HA ASP A 93 -19.918 16.575 -13.089 1.00 32.32 H new ATOM 0 HB2 ASP A 93 -22.043 18.124 -11.593 1.00 33.41 H new ATOM 0 HB3 ASP A 93 -22.324 16.452 -12.036 1.00 33.41 H new ATOM 1483 N VAL A 94 -20.882 17.412 -15.479 1.00 41.30 N ATOM 1484 CA VAL A 94 -21.582 17.335 -16.757 1.00 73.34 C ATOM 1485 C VAL A 94 -22.411 16.059 -16.851 1.00 13.14 C ATOM 1486 O VAL A 94 -22.282 15.158 -16.024 1.00 60.14 O ATOM 1487 CB VAL A 94 -20.598 17.383 -17.939 1.00 23.13 C ATOM 1488 CG1 VAL A 94 -19.735 18.634 -17.865 1.00 3.53 C ATOM 1489 CG2 VAL A 94 -19.734 16.131 -17.966 1.00 31.52 C ATOM 0 H VAL A 94 -19.880 17.588 -15.557 1.00 41.30 H new ATOM 0 HA VAL A 94 -22.243 18.200 -16.810 1.00 73.34 H new ATOM 0 HB VAL A 94 -21.172 17.420 -18.865 1.00 23.13 H new ATOM 0 HG11 VAL A 94 -19.045 18.651 -18.709 1.00 3.53 H new ATOM 0 HG12 VAL A 94 -20.372 19.518 -17.899 1.00 3.53 H new ATOM 0 HG13 VAL A 94 -19.169 18.631 -16.934 1.00 3.53 H new ATOM 0 HG21 VAL A 94 -19.044 16.183 -18.809 1.00 31.52 H new ATOM 0 HG22 VAL A 94 -19.168 16.060 -17.037 1.00 31.52 H new ATOM 0 HG23 VAL A 94 -20.370 15.252 -18.071 1.00 31.52 H new ATOM 1499 N LYS A 95 -23.264 15.990 -17.868 1.00 75.14 N ATOM 1500 CA LYS A 95 -24.115 14.824 -18.075 1.00 40.32 C ATOM 1501 C LYS A 95 -23.632 14.002 -19.266 1.00 54.14 C ATOM 1502 O LYS A 95 -23.866 12.795 -19.335 1.00 14.02 O ATOM 1503 CB LYS A 95 -25.565 15.258 -18.296 1.00 12.54 C ATOM 1504 CG LYS A 95 -26.309 15.576 -17.010 1.00 42.24 C ATOM 1505 CD LYS A 95 -27.812 15.614 -17.229 1.00 52.42 C ATOM 1506 CE LYS A 95 -28.541 14.707 -16.249 1.00 3.21 C ATOM 1507 NZ LYS A 95 -30.019 14.851 -16.355 1.00 34.32 N1+ ATOM 0 H LYS A 95 -23.384 16.728 -18.562 1.00 75.14 H new ATOM 0 HA LYS A 95 -24.060 14.203 -17.181 1.00 40.32 H new ATOM 0 HB2 LYS A 95 -25.578 16.137 -18.940 1.00 12.54 H new ATOM 0 HB3 LYS A 95 -26.095 14.467 -18.826 1.00 12.54 H new ATOM 0 HG2 LYS A 95 -26.069 14.827 -16.255 1.00 42.24 H new ATOM 0 HG3 LYS A 95 -25.973 16.538 -16.622 1.00 42.24 H new ATOM 0 HD2 LYS A 95 -28.171 16.637 -17.116 1.00 52.42 H new ATOM 0 HD3 LYS A 95 -28.040 15.307 -18.250 1.00 52.42 H new ATOM 0 HE2 LYS A 95 -28.263 13.670 -16.438 1.00 3.21 H new ATOM 0 HE3 LYS A 95 -28.225 14.942 -15.233 1.00 3.21 H new ATOM 0 HZ1 LYS A 95 -30.480 14.217 -15.671 1.00 34.32 H new ATOM 0 HZ2 LYS A 95 -30.288 15.835 -16.150 1.00 34.32 H new ATOM 0 HZ3 LYS A 95 -30.324 14.602 -17.318 1.00 34.32 H new ATOM 1521 N ASP A 96 -22.956 14.663 -20.199 1.00 53.31 N ATOM 1522 CA ASP A 96 -22.438 13.992 -21.386 1.00 75.31 C ATOM 1523 C ASP A 96 -21.027 14.475 -21.711 1.00 53.12 C ATOM 1524 O ASP A 96 -20.621 15.562 -21.298 1.00 43.44 O ATOM 1525 CB ASP A 96 -23.362 14.237 -22.580 1.00 43.50 C ATOM 1526 CG ASP A 96 -23.926 15.644 -22.597 1.00 43.22 C ATOM 1527 OD1 ASP A 96 -23.141 16.596 -22.793 1.00 41.14 O ATOM 1528 OD2 ASP A 96 -25.152 15.793 -22.417 1.00 5.03 O1- ATOM 0 H ASP A 96 -22.754 15.662 -20.157 1.00 53.31 H new ATOM 0 HA ASP A 96 -22.398 12.922 -21.181 1.00 75.31 H new ATOM 0 HB2 ASP A 96 -22.812 14.058 -23.504 1.00 43.50 H new ATOM 0 HB3 ASP A 96 -24.183 13.520 -22.554 1.00 43.50 H new ATOM 1533 N THR A 97 -20.284 13.659 -22.451 1.00 23.32 N ATOM 1534 CA THR A 97 -18.918 14.002 -22.829 1.00 13.11 C ATOM 1535 C THR A 97 -18.868 15.344 -23.551 1.00 42.13 C ATOM 1536 O THR A 97 -17.892 16.084 -23.439 1.00 62.42 O ATOM 1537 CB THR A 97 -18.298 12.921 -23.735 1.00 75.22 C ATOM 1538 OG1 THR A 97 -18.390 11.640 -23.101 1.00 63.42 O ATOM 1539 CG2 THR A 97 -16.842 13.239 -24.038 1.00 21.52 C ATOM 0 H THR A 97 -20.605 12.756 -22.801 1.00 23.32 H new ATOM 0 HA THR A 97 -18.341 14.067 -21.906 1.00 13.11 H new ATOM 0 HB THR A 97 -18.852 12.903 -24.674 1.00 75.22 H new ATOM 0 HG1 THR A 97 -19.256 11.560 -22.650 1.00 63.42 H new ATOM 0 HG21 THR A 97 -16.426 12.462 -24.679 1.00 21.52 H new ATOM 0 HG22 THR A 97 -16.778 14.201 -24.546 1.00 21.52 H new ATOM 0 HG23 THR A 97 -16.278 13.282 -23.107 1.00 21.52 H new ATOM 1547 N LYS A 98 -19.927 15.651 -24.292 1.00 40.51 N ATOM 1548 CA LYS A 98 -20.005 16.905 -25.032 1.00 5.12 C ATOM 1549 C LYS A 98 -19.876 18.100 -24.093 1.00 11.34 C ATOM 1550 O LYS A 98 -19.036 18.975 -24.300 1.00 64.25 O ATOM 1551 CB LYS A 98 -21.326 16.987 -25.800 1.00 12.14 C ATOM 1552 CG LYS A 98 -21.334 18.048 -26.888 1.00 62.12 C ATOM 1553 CD LYS A 98 -22.711 18.667 -27.053 1.00 71.21 C ATOM 1554 CE LYS A 98 -22.780 19.549 -28.290 1.00 23.51 C ATOM 1555 NZ LYS A 98 -23.701 20.704 -28.096 1.00 31.24 N1+ ATOM 0 H LYS A 98 -20.743 15.049 -24.396 1.00 40.51 H new ATOM 0 HA LYS A 98 -19.177 16.931 -25.741 1.00 5.12 H new ATOM 0 HB2 LYS A 98 -21.536 16.016 -26.249 1.00 12.14 H new ATOM 0 HB3 LYS A 98 -22.133 17.194 -25.097 1.00 12.14 H new ATOM 0 HG2 LYS A 98 -20.611 18.826 -26.644 1.00 62.12 H new ATOM 0 HG3 LYS A 98 -21.018 17.605 -27.832 1.00 62.12 H new ATOM 0 HD2 LYS A 98 -23.460 17.878 -27.125 1.00 71.21 H new ATOM 0 HD3 LYS A 98 -22.954 19.257 -26.170 1.00 71.21 H new ATOM 0 HE2 LYS A 98 -21.782 19.916 -28.531 1.00 23.51 H new ATOM 0 HE3 LYS A 98 -23.115 18.956 -29.141 1.00 23.51 H new ATOM 0 HZ1 LYS A 98 -23.721 21.281 -28.961 1.00 31.24 H new ATOM 0 HZ2 LYS A 98 -24.659 20.354 -27.891 1.00 31.24 H new ATOM 0 HZ3 LYS A 98 -23.367 21.284 -27.300 1.00 31.24 H new ATOM 1569 N GLU A 99 -20.714 18.129 -23.061 1.00 45.13 N ATOM 1570 CA GLU A 99 -20.691 19.216 -22.090 1.00 13.12 C ATOM 1571 C GLU A 99 -19.314 19.339 -21.442 1.00 12.14 C ATOM 1572 O GLU A 99 -18.783 20.439 -21.295 1.00 2.33 O ATOM 1573 CB GLU A 99 -21.755 18.991 -21.013 1.00 0.32 C ATOM 1574 CG GLU A 99 -23.076 19.680 -21.310 1.00 73.11 C ATOM 1575 CD GLU A 99 -24.064 19.565 -20.165 1.00 43.23 C ATOM 1576 OE1 GLU A 99 -23.660 19.794 -19.006 1.00 24.31 O1- ATOM 1577 OE2 GLU A 99 -25.242 19.245 -20.429 1.00 40.25 O ATOM 0 H GLU A 99 -21.416 17.413 -22.876 1.00 45.13 H new ATOM 0 HA GLU A 99 -20.909 20.144 -22.618 1.00 13.12 H new ATOM 0 HB2 GLU A 99 -21.929 17.921 -20.904 1.00 0.32 H new ATOM 0 HB3 GLU A 99 -21.374 19.350 -20.057 1.00 0.32 H new ATOM 0 HG2 GLU A 99 -22.893 20.733 -21.522 1.00 73.11 H new ATOM 0 HG3 GLU A 99 -23.514 19.245 -22.208 1.00 73.11 H new ATOM 1584 N ALA A 100 -18.745 18.202 -21.057 1.00 64.10 N ATOM 1585 CA ALA A 100 -17.430 18.182 -20.427 1.00 53.13 C ATOM 1586 C ALA A 100 -16.377 18.807 -21.334 1.00 43.03 C ATOM 1587 O ALA A 100 -15.374 19.344 -20.861 1.00 73.44 O ATOM 1588 CB ALA A 100 -17.040 16.757 -20.066 1.00 73.23 C ATOM 0 H ALA A 100 -19.173 17.283 -21.170 1.00 64.10 H new ATOM 0 HA ALA A 100 -17.483 18.775 -19.514 1.00 53.13 H new ATOM 0 HB1 ALA A 100 -16.056 16.757 -19.597 1.00 73.23 H new ATOM 0 HB2 ALA A 100 -17.773 16.344 -19.373 1.00 73.23 H new ATOM 0 HB3 ALA A 100 -17.011 16.148 -20.969 1.00 73.23 H new ATOM 1594 N LEU A 101 -16.609 18.734 -22.640 1.00 64.32 N ATOM 1595 CA LEU A 101 -15.678 19.292 -23.616 1.00 74.41 C ATOM 1596 C LEU A 101 -15.860 20.802 -23.740 1.00 53.22 C ATOM 1597 O LEU A 101 -14.888 21.556 -23.746 1.00 64.02 O ATOM 1598 CB LEU A 101 -15.879 18.629 -24.979 1.00 1.21 C ATOM 1599 CG LEU A 101 -14.608 18.178 -25.699 1.00 2.22 C ATOM 1600 CD1 LEU A 101 -13.731 19.375 -26.035 1.00 14.15 C ATOM 1601 CD2 LEU A 101 -13.841 17.175 -24.850 1.00 4.50 C ATOM 0 H LEU A 101 -17.434 18.294 -23.048 1.00 64.32 H new ATOM 0 HA LEU A 101 -14.664 19.094 -23.269 1.00 74.41 H new ATOM 0 HB2 LEU A 101 -16.525 17.761 -24.847 1.00 1.21 H new ATOM 0 HB3 LEU A 101 -16.411 19.327 -25.626 1.00 1.21 H new ATOM 0 HG LEU A 101 -14.895 17.691 -26.631 1.00 2.22 H new ATOM 0 HD11 LEU A 101 -12.831 19.034 -26.547 1.00 14.15 H new ATOM 0 HD12 LEU A 101 -14.280 20.058 -26.683 1.00 14.15 H new ATOM 0 HD13 LEU A 101 -13.452 19.891 -25.116 1.00 14.15 H new ATOM 0 HD21 LEU A 101 -12.939 16.865 -25.378 1.00 4.50 H new ATOM 0 HD22 LEU A 101 -13.565 17.636 -23.902 1.00 4.50 H new ATOM 0 HD23 LEU A 101 -14.468 16.304 -24.661 1.00 4.50 H new ATOM 1613 N ASP A 102 -17.112 21.235 -23.835 1.00 14.23 N ATOM 1614 CA ASP A 102 -17.424 22.655 -23.956 1.00 22.10 C ATOM 1615 C ASP A 102 -16.968 23.418 -22.716 1.00 1.00 C ATOM 1616 O ASP A 102 -16.580 24.583 -22.798 1.00 13.12 O ATOM 1617 CB ASP A 102 -18.924 22.854 -24.170 1.00 12.30 C ATOM 1618 CG ASP A 102 -19.229 24.023 -25.085 1.00 13.20 C ATOM 1619 OD1 ASP A 102 -19.213 23.831 -26.320 1.00 61.31 O ATOM 1620 OD2 ASP A 102 -19.484 25.131 -24.568 1.00 15.32 O1- ATOM 0 H ASP A 102 -17.928 20.623 -23.831 1.00 14.23 H new ATOM 0 HA ASP A 102 -16.888 23.047 -24.820 1.00 22.10 H new ATOM 0 HB2 ASP A 102 -19.351 21.945 -24.593 1.00 12.30 H new ATOM 0 HB3 ASP A 102 -19.407 23.015 -23.206 1.00 12.30 H new ATOM 1625 N LYS A 103 -17.019 22.753 -21.567 1.00 64.34 N ATOM 1626 CA LYS A 103 -16.611 23.367 -20.308 1.00 4.54 C ATOM 1627 C LYS A 103 -15.108 23.628 -20.292 1.00 70.02 C ATOM 1628 O LYS A 103 -14.667 24.746 -20.023 1.00 63.15 O ATOM 1629 CB LYS A 103 -16.996 22.469 -19.131 1.00 14.21 C ATOM 1630 CG LYS A 103 -17.851 23.168 -18.087 1.00 62.32 C ATOM 1631 CD LYS A 103 -19.327 23.106 -18.442 1.00 64.23 C ATOM 1632 CE LYS A 103 -20.190 23.706 -17.344 1.00 35.02 C ATOM 1633 NZ LYS A 103 -21.549 24.063 -17.838 1.00 54.22 N1+ ATOM 0 H LYS A 103 -17.339 21.788 -21.481 1.00 64.34 H new ATOM 0 HA LYS A 103 -17.129 24.322 -20.213 1.00 4.54 H new ATOM 0 HB2 LYS A 103 -17.536 21.601 -19.509 1.00 14.21 H new ATOM 0 HB3 LYS A 103 -16.088 22.098 -18.656 1.00 14.21 H new ATOM 0 HG2 LYS A 103 -17.690 22.704 -17.114 1.00 62.32 H new ATOM 0 HG3 LYS A 103 -17.541 24.209 -17.999 1.00 62.32 H new ATOM 0 HD2 LYS A 103 -19.500 23.641 -19.376 1.00 64.23 H new ATOM 0 HD3 LYS A 103 -19.619 22.069 -18.610 1.00 64.23 H new ATOM 0 HE2 LYS A 103 -20.278 22.995 -16.522 1.00 35.02 H new ATOM 0 HE3 LYS A 103 -19.703 24.596 -16.945 1.00 35.02 H new ATOM 0 HZ1 LYS A 103 -22.106 24.469 -17.059 1.00 54.22 H new ATOM 0 HZ2 LYS A 103 -21.467 24.760 -18.605 1.00 54.22 H new ATOM 0 HZ3 LYS A 103 -22.024 23.209 -18.195 1.00 54.22 H new ATOM 1647 N ILE A 104 -14.329 22.592 -20.582 1.00 40.30 N ATOM 1648 CA ILE A 104 -12.877 22.712 -20.603 1.00 72.15 C ATOM 1649 C ILE A 104 -12.417 23.646 -21.717 1.00 0.04 C ATOM 1650 O ILE A 104 -11.510 24.455 -21.527 1.00 42.34 O ATOM 1651 CB ILE A 104 -12.201 21.339 -20.788 1.00 10.14 C ATOM 1652 CG1 ILE A 104 -12.632 20.381 -19.676 1.00 62.22 C ATOM 1653 CG2 ILE A 104 -10.688 21.492 -20.808 1.00 33.22 C ATOM 1654 CD1 ILE A 104 -12.307 18.933 -19.968 1.00 72.25 C ATOM 0 H ILE A 104 -14.679 21.660 -20.806 1.00 40.30 H new ATOM 0 HA ILE A 104 -12.582 23.127 -19.639 1.00 72.15 H new ATOM 0 HB ILE A 104 -12.516 20.920 -21.744 1.00 10.14 H new ATOM 0 HG12 ILE A 104 -12.145 20.674 -18.746 1.00 62.22 H new ATOM 0 HG13 ILE A 104 -13.706 20.479 -19.518 1.00 62.22 H new ATOM 0 HG21 ILE A 104 -10.225 20.514 -20.939 1.00 33.22 H new ATOM 0 HG22 ILE A 104 -10.399 22.144 -21.632 1.00 33.22 H new ATOM 0 HG23 ILE A 104 -10.354 21.928 -19.867 1.00 33.22 H new ATOM 0 HD11 ILE A 104 -12.640 18.311 -19.138 1.00 72.25 H new ATOM 0 HD12 ILE A 104 -12.816 18.623 -20.881 1.00 72.25 H new ATOM 0 HD13 ILE A 104 -11.230 18.820 -20.096 1.00 72.25 H new ATOM 1666 N GLU A 105 -13.053 23.530 -22.879 1.00 43.20 N ATOM 1667 CA GLU A 105 -12.710 24.366 -24.024 1.00 74.14 C ATOM 1668 C GLU A 105 -12.882 25.845 -23.688 1.00 51.53 C ATOM 1669 O GLU A 105 -12.117 26.689 -24.153 1.00 11.24 O ATOM 1670 CB GLU A 105 -13.579 24.000 -25.229 1.00 1.13 C ATOM 1671 CG GLU A 105 -13.360 24.901 -26.432 1.00 3.11 C ATOM 1672 CD GLU A 105 -13.521 24.166 -27.749 1.00 71.15 C ATOM 1673 OE1 GLU A 105 -14.652 23.729 -28.049 1.00 71.24 O ATOM 1674 OE2 GLU A 105 -12.518 24.027 -28.478 1.00 64.11 O1- ATOM 0 H GLU A 105 -13.808 22.866 -23.052 1.00 43.20 H new ATOM 0 HA GLU A 105 -11.664 24.187 -24.273 1.00 74.14 H new ATOM 0 HB2 GLU A 105 -13.373 22.969 -25.515 1.00 1.13 H new ATOM 0 HB3 GLU A 105 -14.628 24.046 -24.937 1.00 1.13 H new ATOM 0 HG2 GLU A 105 -14.067 25.730 -26.394 1.00 3.11 H new ATOM 0 HG3 GLU A 105 -12.360 25.332 -26.381 1.00 3.11 H new