USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.426 K(o=-0.43,f=-4.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.24 K(o=-3.2,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0287 (180deg=-0.228) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0279) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00863 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -128:sc= 0.76 (180deg=-0.268) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 -9.815 -7.647 -11.448 1.00 70.43 N ATOM 102 CA ASP A 7 -10.449 -8.874 -11.918 1.00 24.11 C ATOM 103 C ASP A 7 -10.152 -9.107 -13.396 1.00 61.40 C ATOM 104 O ASP A 7 -9.716 -8.199 -14.103 1.00 40.41 O ATOM 105 CB ASP A 7 -11.960 -8.812 -11.692 1.00 0.40 C ATOM 106 CG ASP A 7 -12.333 -8.947 -10.229 1.00 23.22 C ATOM 107 OD1 ASP A 7 -11.535 -8.515 -9.370 1.00 51.34 O ATOM 108 OD2 ASP A 7 -13.422 -9.485 -9.942 1.00 34.10 O ATOM 0 HA ASP A 7 -10.039 -9.707 -11.348 1.00 24.11 H new ATOM 0 HB2 ASP A 7 -12.343 -7.867 -12.076 1.00 0.40 H new ATOM 0 HB3 ASP A 7 -12.442 -9.606 -12.262 1.00 0.40 H new ATOM 113 N TYR A 8 -10.390 -10.331 -13.856 1.00 0.42 N ATOM 114 CA TYR A 8 -10.145 -10.685 -15.249 1.00 0.41 C ATOM 115 C TYR A 8 -10.915 -9.762 -16.189 1.00 20.01 C ATOM 116 O TYR A 8 -10.465 -9.470 -17.297 1.00 42.11 O ATOM 117 CB TYR A 8 -10.543 -12.139 -15.505 1.00 22.20 C ATOM 118 CG TYR A 8 -9.932 -13.115 -14.525 1.00 34.32 C ATOM 119 CD1 TYR A 8 -10.672 -14.179 -14.022 1.00 62.24 C ATOM 120 CD2 TYR A 8 -8.617 -12.973 -14.100 1.00 72.52 C ATOM 121 CE1 TYR A 8 -10.119 -15.073 -13.126 1.00 62.31 C ATOM 122 CE2 TYR A 8 -8.056 -13.863 -13.205 1.00 65.54 C ATOM 123 CZ TYR A 8 -8.810 -14.911 -12.721 1.00 72.51 C ATOM 124 OH TYR A 8 -8.255 -15.799 -11.829 1.00 22.45 O ATOM 0 H TYR A 8 -10.752 -11.094 -13.284 1.00 0.42 H new ATOM 0 HA TYR A 8 -9.079 -10.567 -15.445 1.00 0.41 H new ATOM 0 HB2 TYR A 8 -11.629 -12.223 -15.460 1.00 22.20 H new ATOM 0 HB3 TYR A 8 -10.244 -12.416 -16.516 1.00 22.20 H new ATOM 0 HD1 TYR A 8 -11.697 -14.309 -14.337 1.00 62.24 H new ATOM 0 HD2 TYR A 8 -8.023 -12.153 -14.476 1.00 72.52 H new ATOM 0 HE1 TYR A 8 -10.708 -15.894 -12.745 1.00 62.31 H new ATOM 0 HE2 TYR A 8 -7.032 -13.739 -12.886 1.00 65.54 H new ATOM 0 HH TYR A 8 -7.326 -15.544 -11.649 1.00 22.45 H new ATOM 134 N TYR A 9 -12.078 -9.306 -15.738 1.00 32.12 N ATOM 135 CA TYR A 9 -12.913 -8.418 -16.538 1.00 11.12 C ATOM 136 C TYR A 9 -12.111 -7.221 -17.039 1.00 1.33 C ATOM 137 O TYR A 9 -12.216 -6.833 -18.202 1.00 13.12 O ATOM 138 CB TYR A 9 -14.112 -7.936 -15.719 1.00 71.12 C ATOM 139 CG TYR A 9 -14.970 -9.060 -15.183 1.00 51.22 C ATOM 140 CD1 TYR A 9 -14.843 -9.490 -13.868 1.00 71.53 C ATOM 141 CD2 TYR A 9 -15.907 -9.691 -15.992 1.00 30.44 C ATOM 142 CE1 TYR A 9 -15.624 -10.517 -13.374 1.00 73.22 C ATOM 143 CE2 TYR A 9 -16.694 -10.718 -15.506 1.00 5.22 C ATOM 144 CZ TYR A 9 -16.548 -11.127 -14.197 1.00 34.23 C ATOM 145 OH TYR A 9 -17.329 -12.150 -13.709 1.00 60.33 O ATOM 0 H TYR A 9 -12.464 -9.537 -14.822 1.00 32.12 H new ATOM 0 HA TYR A 9 -13.272 -8.978 -17.401 1.00 11.12 H new ATOM 0 HB2 TYR A 9 -13.753 -7.334 -14.884 1.00 71.12 H new ATOM 0 HB3 TYR A 9 -14.727 -7.285 -16.340 1.00 71.12 H new ATOM 0 HD1 TYR A 9 -14.122 -9.013 -13.221 1.00 71.53 H new ATOM 0 HD2 TYR A 9 -16.022 -9.374 -17.018 1.00 30.44 H new ATOM 0 HE1 TYR A 9 -15.512 -10.840 -12.350 1.00 73.22 H new ATOM 0 HE2 TYR A 9 -17.419 -11.197 -16.147 1.00 5.22 H new ATOM 0 HH TYR A 9 -17.928 -12.470 -14.416 1.00 60.33 H new ATOM 155 N GLN A 10 -11.309 -6.641 -16.151 1.00 52.23 N ATOM 156 CA GLN A 10 -10.489 -5.488 -16.503 1.00 2.25 C ATOM 157 C GLN A 10 -9.290 -5.909 -17.347 1.00 35.24 C ATOM 158 O GLN A 10 -8.893 -5.202 -18.273 1.00 64.52 O ATOM 159 CB GLN A 10 -10.011 -4.771 -15.238 1.00 65.44 C ATOM 160 CG GLN A 10 -11.144 -4.270 -14.358 1.00 4.40 C ATOM 161 CD GLN A 10 -11.755 -2.981 -14.872 1.00 32.12 C ATOM 162 OE1 GLN A 10 -11.090 -1.947 -14.935 1.00 12.43 O ATOM 163 NE2 GLN A 10 -13.029 -3.037 -15.243 1.00 41.11 N ATOM 0 H GLN A 10 -11.210 -6.950 -15.184 1.00 52.23 H new ATOM 0 HA GLN A 10 -11.101 -4.804 -17.091 1.00 2.25 H new ATOM 0 HB2 GLN A 10 -9.386 -5.451 -14.659 1.00 65.44 H new ATOM 0 HB3 GLN A 10 -9.384 -3.927 -15.524 1.00 65.44 H new ATOM 0 HG2 GLN A 10 -11.918 -5.035 -14.297 1.00 4.40 H new ATOM 0 HG3 GLN A 10 -10.771 -4.113 -13.346 1.00 4.40 H new ATOM 0 HE21 GLN A 10 -13.542 -3.916 -15.174 1.00 41.11 H new ATOM 0 HE22 GLN A 10 -13.494 -2.201 -15.597 1.00 41.11 H new ATOM 172 N ILE A 11 -8.720 -7.064 -17.020 1.00 3.31 N ATOM 173 CA ILE A 11 -7.567 -7.579 -17.749 1.00 14.12 C ATOM 174 C ILE A 11 -7.909 -7.825 -19.214 1.00 72.43 C ATOM 175 O ILE A 11 -7.030 -7.823 -20.077 1.00 72.22 O ATOM 176 CB ILE A 11 -7.048 -8.889 -17.127 1.00 44.33 C ATOM 177 CG1 ILE A 11 -6.658 -8.665 -15.665 1.00 33.35 C ATOM 178 CG2 ILE A 11 -5.863 -9.418 -17.921 1.00 60.24 C ATOM 179 CD1 ILE A 11 -6.428 -9.949 -14.898 1.00 5.31 C ATOM 0 H ILE A 11 -9.037 -7.660 -16.256 1.00 3.31 H new ATOM 0 HA ILE A 11 -6.787 -6.821 -17.683 1.00 14.12 H new ATOM 0 HB ILE A 11 -7.845 -9.632 -17.161 1.00 44.33 H new ATOM 0 HG12 ILE A 11 -5.751 -8.061 -15.628 1.00 33.35 H new ATOM 0 HG13 ILE A 11 -7.443 -8.092 -15.172 1.00 33.35 H new ATOM 0 HG21 ILE A 11 -5.507 -10.344 -17.470 1.00 60.24 H new ATOM 0 HG22 ILE A 11 -6.170 -9.610 -18.949 1.00 60.24 H new ATOM 0 HG23 ILE A 11 -5.061 -8.679 -17.914 1.00 60.24 H new ATOM 0 HD11 ILE A 11 -6.155 -9.714 -13.869 1.00 5.31 H new ATOM 0 HD12 ILE A 11 -7.341 -10.545 -14.904 1.00 5.31 H new ATOM 0 HD13 ILE A 11 -5.623 -10.514 -15.367 1.00 5.31 H new ATOM 191 N LEU A 12 -9.192 -8.036 -19.490 1.00 4.15 N ATOM 192 CA LEU A 12 -9.651 -8.282 -20.852 1.00 34.21 C ATOM 193 C LEU A 12 -10.373 -7.061 -21.412 1.00 42.43 C ATOM 194 O LEU A 12 -10.601 -6.960 -22.617 1.00 63.00 O ATOM 195 CB LEU A 12 -10.580 -9.497 -20.886 1.00 61.31 C ATOM 196 CG LEU A 12 -9.905 -10.852 -21.107 1.00 52.54 C ATOM 197 CD1 LEU A 12 -10.921 -11.978 -21.000 1.00 32.03 C ATOM 198 CD2 LEU A 12 -9.209 -10.886 -22.460 1.00 54.03 C ATOM 0 H LEU A 12 -9.932 -8.042 -18.788 1.00 4.15 H new ATOM 0 HA LEU A 12 -8.778 -8.482 -21.473 1.00 34.21 H new ATOM 0 HB2 LEU A 12 -11.129 -9.536 -19.945 1.00 61.31 H new ATOM 0 HB3 LEU A 12 -11.314 -9.346 -21.677 1.00 61.31 H new ATOM 0 HG LEU A 12 -9.154 -10.993 -20.330 1.00 52.54 H new ATOM 0 HD11 LEU A 12 -10.423 -12.934 -21.160 1.00 32.03 H new ATOM 0 HD12 LEU A 12 -11.374 -11.966 -20.009 1.00 32.03 H new ATOM 0 HD13 LEU A 12 -11.696 -11.842 -21.755 1.00 32.03 H new ATOM 0 HD21 LEU A 12 -8.734 -11.857 -22.601 1.00 54.03 H new ATOM 0 HD22 LEU A 12 -9.942 -10.722 -23.250 1.00 54.03 H new ATOM 0 HD23 LEU A 12 -8.452 -10.103 -22.499 1.00 54.03 H new ATOM 210 N GLY A 13 -10.728 -6.133 -20.529 1.00 13.51 N ATOM 211 CA GLY A 13 -11.418 -4.929 -20.955 1.00 12.24 C ATOM 212 C GLY A 13 -12.891 -5.168 -21.220 1.00 14.02 C ATOM 213 O GLY A 13 -13.523 -4.424 -21.970 1.00 73.43 O ATOM 0 H GLY A 13 -10.550 -6.193 -19.526 1.00 13.51 H new ATOM 0 HA2 GLY A 13 -11.310 -4.161 -20.189 1.00 12.24 H new ATOM 0 HA3 GLY A 13 -10.947 -4.545 -21.860 1.00 12.24 H new ATOM 217 N VAL A 14 -13.441 -6.210 -20.604 1.00 25.03 N ATOM 218 CA VAL A 14 -14.849 -6.546 -20.777 1.00 44.04 C ATOM 219 C VAL A 14 -15.637 -6.287 -19.499 1.00 12.13 C ATOM 220 O VAL A 14 -15.104 -6.338 -18.390 1.00 12.30 O ATOM 221 CB VAL A 14 -15.028 -8.020 -21.188 1.00 45.42 C ATOM 222 CG1 VAL A 14 -14.274 -8.310 -22.477 1.00 53.04 C ATOM 223 CG2 VAL A 14 -14.565 -8.943 -20.071 1.00 75.44 C ATOM 0 H VAL A 14 -12.932 -6.836 -19.980 1.00 25.03 H new ATOM 0 HA VAL A 14 -15.232 -5.906 -21.572 1.00 44.04 H new ATOM 0 HB VAL A 14 -16.088 -8.204 -21.366 1.00 45.42 H new ATOM 0 HG11 VAL A 14 -14.412 -9.356 -22.752 1.00 53.04 H new ATOM 0 HG12 VAL A 14 -14.656 -7.672 -23.274 1.00 53.04 H new ATOM 0 HG13 VAL A 14 -13.213 -8.110 -22.330 1.00 53.04 H new ATOM 0 HG21 VAL A 14 -14.698 -9.980 -20.378 1.00 75.44 H new ATOM 0 HG22 VAL A 14 -13.511 -8.759 -19.860 1.00 75.44 H new ATOM 0 HG23 VAL A 14 -15.153 -8.752 -19.173 1.00 75.44 H new ATOM 233 N PRO A 15 -16.939 -6.002 -19.654 1.00 22.54 N ATOM 234 CA PRO A 15 -17.830 -5.731 -18.522 1.00 1.32 C ATOM 235 C PRO A 15 -18.101 -6.976 -17.685 1.00 71.43 C ATOM 236 O PRO A 15 -17.668 -8.075 -18.032 1.00 64.15 O ATOM 237 CB PRO A 15 -19.118 -5.246 -19.193 1.00 23.34 C ATOM 238 CG PRO A 15 -19.090 -5.858 -20.551 1.00 14.41 C ATOM 239 CD PRO A 15 -17.641 -5.925 -20.946 1.00 10.04 C ATOM 0 HA PRO A 15 -17.398 -5.011 -17.827 1.00 1.32 H new ATOM 0 HB2 PRO A 15 -19.999 -5.562 -18.634 1.00 23.34 H new ATOM 0 HB3 PRO A 15 -19.150 -4.158 -19.249 1.00 23.34 H new ATOM 0 HG2 PRO A 15 -19.538 -6.852 -20.540 1.00 14.41 H new ATOM 0 HG3 PRO A 15 -19.661 -5.259 -21.261 1.00 14.41 H new ATOM 0 HD2 PRO A 15 -17.434 -6.796 -21.568 1.00 10.04 H new ATOM 0 HD3 PRO A 15 -17.339 -5.046 -21.516 1.00 10.04 H new ATOM 247 N ARG A 16 -18.821 -6.798 -16.582 1.00 41.15 N ATOM 248 CA ARG A 16 -19.149 -7.908 -15.696 1.00 70.02 C ATOM 249 C ARG A 16 -20.301 -8.733 -16.262 1.00 71.21 C ATOM 250 O ARG A 16 -20.624 -9.802 -15.746 1.00 22.20 O ATOM 251 CB ARG A 16 -19.516 -7.387 -14.305 1.00 43.04 C ATOM 252 CG ARG A 16 -18.430 -6.536 -13.668 1.00 3.10 C ATOM 253 CD ARG A 16 -19.016 -5.329 -12.952 1.00 61.11 C ATOM 254 NE ARG A 16 -18.030 -4.267 -12.772 1.00 63.21 N ATOM 255 CZ ARG A 16 -17.656 -3.439 -13.741 1.00 63.54 C ATOM 256 NH1 ARG A 16 -18.183 -3.550 -14.953 1.00 34.43 N ATOM 257 NH2 ARG A 16 -16.752 -2.498 -13.500 1.00 34.01 N ATOM 0 H ARG A 16 -19.188 -5.895 -16.281 1.00 41.15 H new ATOM 0 HA ARG A 16 -18.271 -8.548 -15.617 1.00 70.02 H new ATOM 0 HB2 ARG A 16 -20.431 -6.800 -14.376 1.00 43.04 H new ATOM 0 HB3 ARG A 16 -19.731 -8.234 -13.654 1.00 43.04 H new ATOM 0 HG2 ARG A 16 -17.862 -7.140 -12.960 1.00 3.10 H new ATOM 0 HG3 ARG A 16 -17.731 -6.202 -14.435 1.00 3.10 H new ATOM 0 HD2 ARG A 16 -19.862 -4.945 -13.522 1.00 61.11 H new ATOM 0 HD3 ARG A 16 -19.400 -5.636 -11.979 1.00 61.11 H new ATOM 0 HE ARG A 16 -17.605 -4.155 -11.852 1.00 63.21 H new ATOM 0 HH11 ARG A 16 -18.877 -4.273 -15.143 1.00 34.43 H new ATOM 0 HH12 ARG A 16 -17.894 -2.913 -15.695 1.00 34.43 H new ATOM 0 HH21 ARG A 16 -16.343 -2.410 -12.570 1.00 34.01 H new ATOM 0 HH22 ARG A 16 -16.466 -1.863 -14.245 1.00 34.01 H new ATOM 271 N ASN A 17 -20.917 -8.228 -17.326 1.00 33.11 N ATOM 272 CA ASN A 17 -22.034 -8.918 -17.961 1.00 53.22 C ATOM 273 C ASN A 17 -21.665 -9.366 -19.372 1.00 54.32 C ATOM 274 O ASN A 17 -22.506 -9.877 -20.112 1.00 25.44 O ATOM 275 CB ASN A 17 -23.263 -8.007 -18.008 1.00 61.20 C ATOM 276 CG ASN A 17 -22.946 -6.637 -18.575 1.00 42.01 C ATOM 277 OD1 ASN A 17 -22.123 -6.503 -19.481 1.00 71.12 O ATOM 278 ND2 ASN A 17 -23.599 -5.611 -18.042 1.00 41.34 N ATOM 0 H ASN A 17 -20.662 -7.344 -17.766 1.00 33.11 H new ATOM 0 HA ASN A 17 -22.268 -9.802 -17.368 1.00 53.22 H new ATOM 0 HB2 ASN A 17 -24.038 -8.477 -18.614 1.00 61.20 H new ATOM 0 HB3 ASN A 17 -23.668 -7.896 -17.002 1.00 61.20 H new ATOM 0 HD21 ASN A 17 -23.427 -4.665 -18.382 1.00 41.34 H new ATOM 0 HD22 ASN A 17 -24.273 -5.769 -17.293 1.00 41.34 H new ATOM 285 N ALA A 18 -20.403 -9.170 -19.738 1.00 42.22 N ATOM 286 CA ALA A 18 -19.922 -9.556 -21.059 1.00 4.31 C ATOM 287 C ALA A 18 -20.240 -11.018 -21.353 1.00 45.24 C ATOM 288 O ALA A 18 -20.493 -11.804 -20.441 1.00 10.24 O ATOM 289 CB ALA A 18 -18.425 -9.307 -21.169 1.00 3.53 C ATOM 0 H ALA A 18 -19.695 -8.746 -19.138 1.00 42.22 H new ATOM 0 HA ALA A 18 -20.436 -8.943 -21.799 1.00 4.31 H new ATOM 0 HB1 ALA A 18 -18.079 -9.600 -22.160 1.00 3.53 H new ATOM 0 HB2 ALA A 18 -18.220 -8.248 -21.011 1.00 3.53 H new ATOM 0 HB3 ALA A 18 -17.902 -9.894 -20.414 1.00 3.53 H new ATOM 295 N SER A 19 -20.225 -11.376 -22.633 1.00 41.54 N ATOM 296 CA SER A 19 -20.516 -12.743 -23.048 1.00 52.24 C ATOM 297 C SER A 19 -19.247 -13.453 -23.509 1.00 41.21 C ATOM 298 O SER A 19 -18.241 -12.812 -23.813 1.00 21.32 O ATOM 299 CB SER A 19 -21.553 -12.747 -24.173 1.00 53.11 C ATOM 300 OG SER A 19 -22.608 -11.841 -23.898 1.00 23.02 O ATOM 0 H SER A 19 -20.014 -10.738 -23.401 1.00 41.54 H new ATOM 0 HA SER A 19 -20.920 -13.279 -22.189 1.00 52.24 H new ATOM 0 HB2 SER A 19 -21.074 -12.477 -25.114 1.00 53.11 H new ATOM 0 HB3 SER A 19 -21.956 -13.752 -24.297 1.00 53.11 H new ATOM 0 HG SER A 19 -23.256 -11.861 -24.633 1.00 23.02 H new ATOM 306 N GLN A 20 -19.303 -14.780 -23.558 1.00 12.21 N ATOM 307 CA GLN A 20 -18.158 -15.577 -23.981 1.00 32.53 C ATOM 308 C GLN A 20 -17.698 -15.172 -25.377 1.00 72.11 C ATOM 309 O GLN A 20 -16.531 -15.339 -25.731 1.00 3.22 O ATOM 310 CB GLN A 20 -18.511 -17.066 -23.959 1.00 42.20 C ATOM 311 CG GLN A 20 -19.202 -17.509 -22.680 1.00 11.34 C ATOM 312 CD GLN A 20 -18.582 -16.896 -21.439 1.00 72.12 C ATOM 313 OE1 GLN A 20 -19.090 -15.914 -20.897 1.00 75.23 O ATOM 314 NE2 GLN A 20 -17.477 -17.474 -20.982 1.00 75.00 N ATOM 0 H GLN A 20 -20.129 -15.325 -23.310 1.00 12.21 H new ATOM 0 HA GLN A 20 -17.342 -15.393 -23.283 1.00 32.53 H new ATOM 0 HB2 GLN A 20 -19.157 -17.290 -24.808 1.00 42.20 H new ATOM 0 HB3 GLN A 20 -17.599 -17.649 -24.090 1.00 42.20 H new ATOM 0 HG2 GLN A 20 -20.256 -17.236 -22.728 1.00 11.34 H new ATOM 0 HG3 GLN A 20 -19.157 -18.596 -22.605 1.00 11.34 H new ATOM 0 HE21 GLN A 20 -17.090 -18.286 -21.463 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -17.015 -17.106 -20.150 1.00 75.00 H new ATOM 323 N LYS A 21 -18.623 -14.639 -26.168 1.00 13.12 N ATOM 324 CA LYS A 21 -18.314 -14.208 -27.526 1.00 61.31 C ATOM 325 C LYS A 21 -17.587 -12.867 -27.519 1.00 73.13 C ATOM 326 O LYS A 21 -16.569 -12.700 -28.190 1.00 13.30 O ATOM 327 CB LYS A 21 -19.597 -14.101 -28.354 1.00 25.41 C ATOM 328 CG LYS A 21 -20.241 -15.444 -28.653 1.00 50.21 C ATOM 329 CD LYS A 21 -21.227 -15.843 -27.568 1.00 55.24 C ATOM 330 CE LYS A 21 -22.314 -16.758 -28.112 1.00 41.12 C ATOM 331 NZ LYS A 21 -21.799 -18.128 -28.387 1.00 11.03 N ATOM 0 H LYS A 21 -19.594 -14.495 -25.891 1.00 13.12 H new ATOM 0 HA LYS A 21 -17.659 -14.954 -27.977 1.00 61.31 H new ATOM 0 HB2 LYS A 21 -20.312 -13.475 -27.821 1.00 25.41 H new ATOM 0 HB3 LYS A 21 -19.372 -13.598 -29.294 1.00 25.41 H new ATOM 0 HG2 LYS A 21 -20.755 -15.397 -29.613 1.00 50.21 H new ATOM 0 HG3 LYS A 21 -19.468 -16.207 -28.742 1.00 50.21 H new ATOM 0 HD2 LYS A 21 -20.696 -16.347 -26.760 1.00 55.24 H new ATOM 0 HD3 LYS A 21 -21.682 -14.949 -27.142 1.00 55.24 H new ATOM 0 HE2 LYS A 21 -23.133 -16.815 -27.395 1.00 41.12 H new ATOM 0 HE3 LYS A 21 -22.722 -16.332 -29.029 1.00 41.12 H new ATOM 0 HZ1 LYS A 21 -22.570 -18.721 -28.756 1.00 11.03 H new ATOM 0 HZ2 LYS A 21 -21.034 -18.077 -29.090 1.00 11.03 H new ATOM 0 HZ3 LYS A 21 -21.433 -18.544 -27.507 1.00 11.03 H new ATOM 345 N GLU A 22 -18.117 -11.916 -26.756 1.00 62.02 N ATOM 346 CA GLU A 22 -17.517 -10.590 -26.663 1.00 20.22 C ATOM 347 C GLU A 22 -16.114 -10.669 -26.068 1.00 1.41 C ATOM 348 O GLU A 22 -15.255 -9.838 -26.366 1.00 62.31 O ATOM 349 CB GLU A 22 -18.393 -9.669 -25.812 1.00 0.43 C ATOM 350 CG GLU A 22 -17.807 -8.280 -25.618 1.00 21.23 C ATOM 351 CD GLU A 22 -17.847 -7.448 -26.885 1.00 1.13 C ATOM 352 OE1 GLU A 22 -18.960 -7.167 -27.376 1.00 60.30 O ATOM 353 OE2 GLU A 22 -16.764 -7.077 -27.384 1.00 71.05 O ATOM 0 H GLU A 22 -18.959 -12.039 -26.194 1.00 62.02 H new ATOM 0 HA GLU A 22 -17.443 -10.180 -27.670 1.00 20.22 H new ATOM 0 HB2 GLU A 22 -19.373 -9.579 -26.281 1.00 0.43 H new ATOM 0 HB3 GLU A 22 -18.548 -10.129 -24.836 1.00 0.43 H new ATOM 0 HG2 GLU A 22 -18.358 -7.764 -24.831 1.00 21.23 H new ATOM 0 HG3 GLU A 22 -16.775 -8.369 -25.279 1.00 21.23 H new ATOM 360 N ILE A 23 -15.890 -11.671 -25.225 1.00 72.34 N ATOM 361 CA ILE A 23 -14.592 -11.859 -24.589 1.00 52.50 C ATOM 362 C ILE A 23 -13.548 -12.326 -25.597 1.00 71.12 C ATOM 363 O ILE A 23 -12.381 -11.942 -25.523 1.00 2.33 O ATOM 364 CB ILE A 23 -14.671 -12.879 -23.438 1.00 74.13 C ATOM 365 CG1 ILE A 23 -15.663 -12.405 -22.374 1.00 52.41 C ATOM 366 CG2 ILE A 23 -13.295 -13.097 -22.828 1.00 0.22 C ATOM 367 CD1 ILE A 23 -16.358 -13.536 -21.649 1.00 13.40 C ATOM 0 H ILE A 23 -16.591 -12.366 -24.966 1.00 72.34 H new ATOM 0 HA ILE A 23 -14.296 -10.891 -24.185 1.00 52.50 H new ATOM 0 HB ILE A 23 -15.024 -13.829 -23.838 1.00 74.13 H new ATOM 0 HG12 ILE A 23 -15.136 -11.788 -21.647 1.00 52.41 H new ATOM 0 HG13 ILE A 23 -16.414 -11.771 -22.846 1.00 52.41 H new ATOM 0 HG21 ILE A 23 -13.367 -13.820 -22.016 1.00 0.22 H new ATOM 0 HG22 ILE A 23 -12.614 -13.475 -23.591 1.00 0.22 H new ATOM 0 HG23 ILE A 23 -12.915 -12.152 -22.439 1.00 0.22 H new ATOM 0 HD11 ILE A 23 -17.046 -13.126 -20.910 1.00 13.40 H new ATOM 0 HD12 ILE A 23 -16.914 -14.141 -22.366 1.00 13.40 H new ATOM 0 HD13 ILE A 23 -15.616 -14.158 -21.148 1.00 13.40 H new ATOM 379 N LYS A 24 -13.976 -13.157 -26.542 1.00 10.14 N ATOM 380 CA LYS A 24 -13.080 -13.676 -27.568 1.00 50.34 C ATOM 381 C LYS A 24 -12.488 -12.541 -28.398 1.00 11.31 C ATOM 382 O LYS A 24 -11.307 -12.562 -28.746 1.00 32.43 O ATOM 383 CB LYS A 24 -13.827 -14.652 -28.480 1.00 23.21 C ATOM 384 CG LYS A 24 -13.819 -16.084 -27.974 1.00 23.24 C ATOM 385 CD LYS A 24 -13.920 -17.080 -29.116 1.00 60.35 C ATOM 386 CE LYS A 24 -15.298 -17.052 -29.761 1.00 4.54 C ATOM 387 NZ LYS A 24 -15.514 -18.218 -30.660 1.00 62.51 N ATOM 0 H LYS A 24 -14.939 -13.485 -26.618 1.00 10.14 H new ATOM 0 HA LYS A 24 -12.265 -14.203 -27.071 1.00 50.34 H new ATOM 0 HB2 LYS A 24 -14.859 -14.319 -28.587 1.00 23.21 H new ATOM 0 HB3 LYS A 24 -13.379 -14.624 -29.473 1.00 23.21 H new ATOM 0 HG2 LYS A 24 -12.904 -16.267 -27.411 1.00 23.24 H new ATOM 0 HG3 LYS A 24 -14.651 -16.232 -27.286 1.00 23.24 H new ATOM 0 HD2 LYS A 24 -13.162 -16.854 -29.866 1.00 60.35 H new ATOM 0 HD3 LYS A 24 -13.711 -18.083 -28.745 1.00 60.35 H new ATOM 0 HE2 LYS A 24 -16.062 -17.046 -28.984 1.00 4.54 H new ATOM 0 HE3 LYS A 24 -15.414 -16.129 -30.329 1.00 4.54 H new ATOM 0 HZ1 LYS A 24 -16.464 -18.162 -31.079 1.00 62.51 H new ATOM 0 HZ2 LYS A 24 -14.800 -18.210 -31.417 1.00 62.51 H new ATOM 0 HZ3 LYS A 24 -15.429 -19.098 -30.113 1.00 62.51 H new ATOM 401 N LYS A 25 -13.315 -11.549 -28.711 1.00 73.20 N ATOM 402 CA LYS A 25 -12.874 -10.403 -29.497 1.00 61.33 C ATOM 403 C LYS A 25 -11.969 -9.494 -28.673 1.00 0.45 C ATOM 404 O LYS A 25 -10.898 -9.091 -29.126 1.00 71.41 O ATOM 405 CB LYS A 25 -14.081 -9.613 -30.007 1.00 71.11 C ATOM 406 CG LYS A 25 -14.903 -10.360 -31.043 1.00 54.32 C ATOM 407 CD LYS A 25 -16.302 -9.780 -31.168 1.00 75.20 C ATOM 408 CE LYS A 25 -16.297 -8.472 -31.943 1.00 45.43 C ATOM 409 NZ LYS A 25 -17.673 -7.938 -32.141 1.00 4.44 N ATOM 0 H LYS A 25 -14.295 -11.516 -28.432 1.00 73.20 H new ATOM 0 HA LYS A 25 -12.306 -10.776 -30.349 1.00 61.33 H new ATOM 0 HB2 LYS A 25 -14.721 -9.358 -29.162 1.00 71.11 H new ATOM 0 HB3 LYS A 25 -13.734 -8.674 -30.439 1.00 71.11 H new ATOM 0 HG2 LYS A 25 -14.401 -10.314 -32.009 1.00 54.32 H new ATOM 0 HG3 LYS A 25 -14.968 -11.413 -30.768 1.00 54.32 H new ATOM 0 HD2 LYS A 25 -16.951 -10.498 -31.669 1.00 75.20 H new ATOM 0 HD3 LYS A 25 -16.718 -9.614 -30.174 1.00 75.20 H new ATOM 0 HE2 LYS A 25 -15.695 -7.736 -31.409 1.00 45.43 H new ATOM 0 HE3 LYS A 25 -15.825 -8.627 -32.913 1.00 45.43 H new ATOM 0 HZ1 LYS A 25 -17.626 -7.046 -32.673 1.00 4.44 H new ATOM 0 HZ2 LYS A 25 -18.240 -8.629 -32.673 1.00 4.44 H new ATOM 0 HZ3 LYS A 25 -18.115 -7.766 -31.216 1.00 4.44 H new ATOM 423 N ALA A 26 -12.406 -9.174 -27.459 1.00 32.42 N ATOM 424 CA ALA A 26 -11.634 -8.315 -26.570 1.00 22.41 C ATOM 425 C ALA A 26 -10.290 -8.949 -26.225 1.00 35.14 C ATOM 426 O ALA A 26 -9.302 -8.250 -26.002 1.00 50.41 O ATOM 427 CB ALA A 26 -12.423 -8.022 -25.302 1.00 64.14 C ATOM 0 H ALA A 26 -13.291 -9.497 -27.069 1.00 32.42 H new ATOM 0 HA ALA A 26 -11.441 -7.376 -27.089 1.00 22.41 H new ATOM 0 HB1 ALA A 26 -11.834 -7.379 -24.647 1.00 64.14 H new ATOM 0 HB2 ALA A 26 -13.355 -7.519 -25.561 1.00 64.14 H new ATOM 0 HB3 ALA A 26 -12.646 -8.957 -24.788 1.00 64.14 H new ATOM 433 N TYR A 27 -10.262 -10.276 -26.181 1.00 22.42 N ATOM 434 CA TYR A 27 -9.040 -11.004 -25.859 1.00 60.32 C ATOM 435 C TYR A 27 -8.051 -10.949 -27.020 1.00 34.10 C ATOM 436 O TYR A 27 -6.838 -10.898 -26.815 1.00 54.14 O ATOM 437 CB TYR A 27 -9.363 -12.460 -25.519 1.00 33.02 C ATOM 438 CG TYR A 27 -8.138 -13.334 -25.372 1.00 12.01 C ATOM 439 CD1 TYR A 27 -7.093 -12.963 -24.535 1.00 21.32 C ATOM 440 CD2 TYR A 27 -8.025 -14.529 -26.071 1.00 33.53 C ATOM 441 CE1 TYR A 27 -5.971 -13.758 -24.398 1.00 32.22 C ATOM 442 CE2 TYR A 27 -6.908 -15.331 -25.939 1.00 32.23 C ATOM 443 CZ TYR A 27 -5.884 -14.941 -25.101 1.00 62.34 C ATOM 444 OH TYR A 27 -4.769 -15.736 -24.968 1.00 63.54 O ATOM 0 H TYR A 27 -11.071 -10.870 -26.364 1.00 22.42 H new ATOM 0 HA TYR A 27 -8.582 -10.528 -24.992 1.00 60.32 H new ATOM 0 HB2 TYR A 27 -9.933 -12.489 -24.591 1.00 33.02 H new ATOM 0 HB3 TYR A 27 -10.002 -12.873 -26.299 1.00 33.02 H new ATOM 0 HD1 TYR A 27 -7.159 -12.038 -23.982 1.00 21.32 H new ATOM 0 HD2 TYR A 27 -8.824 -14.836 -26.729 1.00 33.53 H new ATOM 0 HE1 TYR A 27 -5.167 -13.454 -23.744 1.00 32.22 H new ATOM 0 HE2 TYR A 27 -6.837 -16.258 -26.489 1.00 32.23 H new ATOM 0 HH TYR A 27 -4.867 -16.533 -25.530 1.00 63.54 H new ATOM 454 N TYR A 28 -8.579 -10.959 -28.239 1.00 34.32 N ATOM 455 CA TYR A 28 -7.745 -10.912 -29.434 1.00 30.24 C ATOM 456 C TYR A 28 -7.197 -9.506 -29.661 1.00 34.54 C ATOM 457 O TYR A 28 -6.006 -9.326 -29.909 1.00 62.34 O ATOM 458 CB TYR A 28 -8.544 -11.364 -30.657 1.00 60.22 C ATOM 459 CG TYR A 28 -7.776 -11.257 -31.955 1.00 61.12 C ATOM 460 CD1 TYR A 28 -8.249 -10.476 -33.002 1.00 51.15 C ATOM 461 CD2 TYR A 28 -6.578 -11.937 -32.135 1.00 30.52 C ATOM 462 CE1 TYR A 28 -7.551 -10.375 -34.191 1.00 32.55 C ATOM 463 CE2 TYR A 28 -5.873 -11.842 -33.319 1.00 2.32 C ATOM 464 CZ TYR A 28 -6.363 -11.060 -34.344 1.00 15.24 C ATOM 465 OH TYR A 28 -5.665 -10.963 -35.525 1.00 44.01 O ATOM 0 H TYR A 28 -9.581 -10.999 -28.426 1.00 34.32 H new ATOM 0 HA TYR A 28 -6.905 -11.590 -29.287 1.00 30.24 H new ATOM 0 HB2 TYR A 28 -8.857 -12.398 -30.514 1.00 60.22 H new ATOM 0 HB3 TYR A 28 -9.451 -10.764 -30.730 1.00 60.22 H new ATOM 0 HD1 TYR A 28 -9.178 -9.938 -32.885 1.00 51.15 H new ATOM 0 HD2 TYR A 28 -6.191 -12.551 -31.335 1.00 30.52 H new ATOM 0 HE1 TYR A 28 -7.933 -9.764 -34.995 1.00 32.55 H new ATOM 0 HE2 TYR A 28 -4.943 -12.377 -33.441 1.00 2.32 H new ATOM 0 HH TYR A 28 -4.850 -11.505 -35.469 1.00 44.01 H new ATOM 475 N GLN A 29 -8.077 -8.514 -29.572 1.00 74.31 N ATOM 476 CA GLN A 29 -7.683 -7.124 -29.768 1.00 22.32 C ATOM 477 C GLN A 29 -6.619 -6.713 -28.756 1.00 2.23 C ATOM 478 O GLN A 29 -5.731 -5.916 -29.062 1.00 24.21 O ATOM 479 CB GLN A 29 -8.900 -6.205 -29.649 1.00 23.13 C ATOM 480 CG GLN A 29 -9.358 -5.985 -28.216 1.00 71.20 C ATOM 481 CD GLN A 29 -10.523 -5.020 -28.118 1.00 3.24 C ATOM 482 OE1 GLN A 29 -10.451 -4.012 -27.414 1.00 43.21 O ATOM 483 NE2 GLN A 29 -11.605 -5.323 -28.824 1.00 71.54 N ATOM 0 H GLN A 29 -9.067 -8.647 -29.366 1.00 74.31 H new ATOM 0 HA GLN A 29 -7.262 -7.029 -30.769 1.00 22.32 H new ATOM 0 HB2 GLN A 29 -8.662 -5.241 -30.098 1.00 23.13 H new ATOM 0 HB3 GLN A 29 -9.723 -6.630 -30.224 1.00 23.13 H new ATOM 0 HG2 GLN A 29 -9.646 -6.941 -27.780 1.00 71.20 H new ATOM 0 HG3 GLN A 29 -8.524 -5.603 -27.627 1.00 71.20 H new ATOM 0 HE21 GLN A 29 -11.622 -6.169 -29.394 1.00 71.54 H new ATOM 0 HE22 GLN A 29 -12.420 -4.710 -28.796 1.00 71.54 H new ATOM 492 N LEU A 30 -6.714 -7.260 -27.549 1.00 14.11 N ATOM 493 CA LEU A 30 -5.760 -6.950 -26.490 1.00 41.53 C ATOM 494 C LEU A 30 -4.413 -7.612 -26.760 1.00 61.41 C ATOM 495 O LEU A 30 -3.361 -7.007 -26.558 1.00 64.21 O ATOM 496 CB LEU A 30 -6.304 -7.407 -25.136 1.00 0.22 C ATOM 497 CG LEU A 30 -6.686 -6.296 -24.156 1.00 61.44 C ATOM 498 CD1 LEU A 30 -7.600 -5.283 -24.828 1.00 63.21 C ATOM 499 CD2 LEU A 30 -7.353 -6.882 -22.920 1.00 40.22 C ATOM 0 H LEU A 30 -7.443 -7.921 -27.279 1.00 14.11 H new ATOM 0 HA LEU A 30 -5.615 -5.870 -26.470 1.00 41.53 H new ATOM 0 HB2 LEU A 30 -7.183 -8.028 -25.311 1.00 0.22 H new ATOM 0 HB3 LEU A 30 -5.555 -8.041 -24.661 1.00 0.22 H new ATOM 0 HG LEU A 30 -5.776 -5.783 -23.845 1.00 61.44 H new ATOM 0 HD11 LEU A 30 -7.861 -4.500 -24.116 1.00 63.21 H new ATOM 0 HD12 LEU A 30 -7.087 -4.840 -25.682 1.00 63.21 H new ATOM 0 HD13 LEU A 30 -8.508 -5.781 -25.169 1.00 63.21 H new ATOM 0 HD21 LEU A 30 -7.618 -6.078 -22.234 1.00 40.22 H new ATOM 0 HD22 LEU A 30 -8.254 -7.420 -23.214 1.00 40.22 H new ATOM 0 HD23 LEU A 30 -6.665 -7.568 -22.426 1.00 40.22 H new ATOM 511 N ALA A 31 -4.454 -8.859 -27.220 1.00 11.32 N ATOM 512 CA ALA A 31 -3.237 -9.602 -27.522 1.00 32.24 C ATOM 513 C ALA A 31 -2.385 -8.866 -28.550 1.00 71.41 C ATOM 514 O ALA A 31 -1.160 -8.822 -28.439 1.00 63.14 O ATOM 515 CB ALA A 31 -3.581 -10.998 -28.020 1.00 14.01 C ATOM 0 H ALA A 31 -5.317 -9.375 -27.391 1.00 11.32 H new ATOM 0 HA ALA A 31 -2.656 -9.689 -26.604 1.00 32.24 H new ATOM 0 HB1 ALA A 31 -2.663 -11.542 -28.242 1.00 14.01 H new ATOM 0 HB2 ALA A 31 -4.142 -11.531 -27.252 1.00 14.01 H new ATOM 0 HB3 ALA A 31 -4.186 -10.923 -28.924 1.00 14.01 H new ATOM 521 N LYS A 32 -3.041 -8.290 -29.552 1.00 32.14 N ATOM 522 CA LYS A 32 -2.345 -7.555 -30.601 1.00 23.13 C ATOM 523 C LYS A 32 -1.564 -6.382 -30.017 1.00 14.32 C ATOM 524 O LYS A 32 -0.587 -5.919 -30.605 1.00 2.42 O ATOM 525 CB LYS A 32 -3.342 -7.049 -31.645 1.00 41.14 C ATOM 526 CG LYS A 32 -3.894 -8.145 -32.541 1.00 1.34 C ATOM 527 CD LYS A 32 -5.334 -7.867 -32.938 1.00 70.50 C ATOM 528 CE LYS A 32 -5.458 -6.564 -33.711 1.00 43.52 C ATOM 529 NZ LYS A 32 -4.624 -6.569 -34.945 1.00 72.23 N ATOM 0 H LYS A 32 -4.055 -8.318 -29.659 1.00 32.14 H new ATOM 0 HA LYS A 32 -1.641 -8.235 -31.080 1.00 23.13 H new ATOM 0 HB2 LYS A 32 -4.170 -6.556 -31.135 1.00 41.14 H new ATOM 0 HB3 LYS A 32 -2.856 -6.296 -32.264 1.00 41.14 H new ATOM 0 HG2 LYS A 32 -3.278 -8.229 -33.437 1.00 1.34 H new ATOM 0 HG3 LYS A 32 -3.836 -9.103 -32.024 1.00 1.34 H new ATOM 0 HD2 LYS A 32 -5.710 -8.689 -33.547 1.00 70.50 H new ATOM 0 HD3 LYS A 32 -5.956 -7.822 -32.044 1.00 70.50 H new ATOM 0 HE2 LYS A 32 -6.502 -6.399 -33.979 1.00 43.52 H new ATOM 0 HE3 LYS A 32 -5.157 -5.733 -33.073 1.00 43.52 H new ATOM 0 HZ1 LYS A 32 -4.874 -5.751 -35.536 1.00 72.23 H new ATOM 0 HZ2 LYS A 32 -3.619 -6.514 -34.685 1.00 72.23 H new ATOM 0 HZ3 LYS A 32 -4.796 -7.446 -35.477 1.00 72.23 H new ATOM 543 N LYS A 33 -2.001 -5.906 -28.856 1.00 14.41 N ATOM 544 CA LYS A 33 -1.343 -4.788 -28.190 1.00 62.11 C ATOM 545 C LYS A 33 -0.018 -5.226 -27.574 1.00 31.15 C ATOM 546 O LYS A 33 0.969 -4.492 -27.614 1.00 3.32 O ATOM 547 CB LYS A 33 -2.253 -4.205 -27.107 1.00 53.52 C ATOM 548 CG LYS A 33 -3.695 -4.032 -27.553 1.00 31.43 C ATOM 549 CD LYS A 33 -4.501 -3.238 -26.539 1.00 1.32 C ATOM 550 CE LYS A 33 -5.584 -2.409 -27.213 1.00 65.23 C ATOM 551 NZ LYS A 33 -5.021 -1.210 -27.894 1.00 11.24 N ATOM 0 H LYS A 33 -2.809 -6.277 -28.356 1.00 14.41 H new ATOM 0 HA LYS A 33 -1.141 -4.021 -28.937 1.00 62.11 H new ATOM 0 HB2 LYS A 33 -2.227 -4.856 -26.233 1.00 53.52 H new ATOM 0 HB3 LYS A 33 -1.859 -3.238 -26.795 1.00 53.52 H new ATOM 0 HG2 LYS A 33 -3.720 -3.524 -28.517 1.00 31.43 H new ATOM 0 HG3 LYS A 33 -4.152 -5.011 -27.696 1.00 31.43 H new ATOM 0 HD2 LYS A 33 -4.957 -3.920 -25.821 1.00 1.32 H new ATOM 0 HD3 LYS A 33 -3.836 -2.582 -25.977 1.00 1.32 H new ATOM 0 HE2 LYS A 33 -6.113 -3.025 -27.940 1.00 65.23 H new ATOM 0 HE3 LYS A 33 -6.316 -2.094 -26.469 1.00 65.23 H new ATOM 0 HZ1 LYS A 33 -5.797 -0.593 -28.209 1.00 11.24 H new ATOM 0 HZ2 LYS A 33 -4.411 -0.689 -27.232 1.00 11.24 H new ATOM 0 HZ3 LYS A 33 -4.461 -1.509 -28.718 1.00 11.24 H new ATOM 786 N LYS A 48 3.081 -9.136 -19.716 1.00 72.21 N ATOM 787 CA LYS A 48 1.706 -8.658 -19.628 1.00 61.01 C ATOM 788 C LYS A 48 0.792 -9.456 -20.553 1.00 23.15 C ATOM 789 O LYS A 48 -0.373 -9.696 -20.235 1.00 2.25 O ATOM 790 CB LYS A 48 1.638 -7.171 -19.985 1.00 33.41 C ATOM 791 CG LYS A 48 2.553 -6.301 -19.142 1.00 4.21 C ATOM 792 CD LYS A 48 2.117 -6.278 -17.687 1.00 21.34 C ATOM 793 CE LYS A 48 3.185 -5.664 -16.794 1.00 71.50 C ATOM 794 NZ LYS A 48 2.990 -4.198 -16.625 1.00 5.21 N ATOM 0 HA LYS A 48 1.365 -8.796 -18.602 1.00 61.01 H new ATOM 0 HB2 LYS A 48 1.898 -7.046 -21.036 1.00 33.41 H new ATOM 0 HB3 LYS A 48 0.611 -6.824 -19.868 1.00 33.41 H new ATOM 0 HG2 LYS A 48 3.575 -6.673 -19.210 1.00 4.21 H new ATOM 0 HG3 LYS A 48 2.557 -5.285 -19.538 1.00 4.21 H new ATOM 0 HD2 LYS A 48 1.192 -5.710 -17.592 1.00 21.34 H new ATOM 0 HD3 LYS A 48 1.903 -7.294 -17.354 1.00 21.34 H new ATOM 0 HE2 LYS A 48 3.164 -6.148 -15.818 1.00 71.50 H new ATOM 0 HE3 LYS A 48 4.169 -5.853 -17.223 1.00 71.50 H new ATOM 0 HZ1 LYS A 48 3.737 -3.817 -16.010 1.00 5.21 H new ATOM 0 HZ2 LYS A 48 3.035 -3.732 -17.554 1.00 5.21 H new ATOM 0 HZ3 LYS A 48 2.061 -4.019 -16.193 1.00 5.21 H new ATOM 808 N PHE A 49 1.328 -9.866 -21.697 1.00 63.32 N ATOM 809 CA PHE A 49 0.561 -10.638 -22.668 1.00 32.24 C ATOM 810 C PHE A 49 0.043 -11.932 -22.046 1.00 51.01 C ATOM 811 O PHE A 49 -1.063 -12.379 -22.349 1.00 32.41 O ATOM 812 CB PHE A 49 1.420 -10.956 -23.893 1.00 24.12 C ATOM 813 CG PHE A 49 0.767 -11.908 -24.853 1.00 55.02 C ATOM 814 CD1 PHE A 49 0.007 -11.434 -25.910 1.00 52.43 C ATOM 815 CD2 PHE A 49 0.911 -13.277 -24.698 1.00 62.35 C ATOM 816 CE1 PHE A 49 -0.596 -12.307 -26.796 1.00 50.21 C ATOM 817 CE2 PHE A 49 0.311 -14.155 -25.581 1.00 62.23 C ATOM 818 CZ PHE A 49 -0.444 -13.669 -26.631 1.00 33.54 C ATOM 0 H PHE A 49 2.291 -9.677 -21.975 1.00 63.32 H new ATOM 0 HA PHE A 49 -0.293 -10.037 -22.979 1.00 32.24 H new ATOM 0 HB2 PHE A 49 1.651 -10.028 -24.415 1.00 24.12 H new ATOM 0 HB3 PHE A 49 2.368 -11.380 -23.562 1.00 24.12 H new ATOM 0 HD1 PHE A 49 -0.116 -10.369 -26.043 1.00 52.43 H new ATOM 0 HD2 PHE A 49 1.499 -13.663 -23.878 1.00 62.35 H new ATOM 0 HE1 PHE A 49 -1.185 -11.924 -27.616 1.00 50.21 H new ATOM 0 HE2 PHE A 49 0.432 -15.220 -25.450 1.00 62.23 H new ATOM 0 HZ PHE A 49 -0.914 -14.353 -27.321 1.00 33.54 H new ATOM 828 N SER A 50 0.851 -12.528 -21.176 1.00 22.33 N ATOM 829 CA SER A 50 0.478 -13.773 -20.514 1.00 73.02 C ATOM 830 C SER A 50 -0.763 -13.577 -19.648 1.00 51.04 C ATOM 831 O SER A 50 -1.592 -14.478 -19.520 1.00 44.14 O ATOM 832 CB SER A 50 1.636 -14.287 -19.657 1.00 33.22 C ATOM 833 OG SER A 50 1.597 -15.699 -19.541 1.00 42.04 O ATOM 0 H SER A 50 1.769 -12.169 -20.913 1.00 22.33 H new ATOM 0 HA SER A 50 0.250 -14.511 -21.284 1.00 73.02 H new ATOM 0 HB2 SER A 50 2.584 -13.981 -20.100 1.00 33.22 H new ATOM 0 HB3 SER A 50 1.587 -13.836 -18.666 1.00 33.22 H new ATOM 0 HG SER A 50 2.348 -16.003 -18.990 1.00 42.04 H new ATOM 839 N GLN A 51 -0.883 -12.393 -19.056 1.00 42.05 N ATOM 840 CA GLN A 51 -2.022 -12.078 -18.202 1.00 24.30 C ATOM 841 C GLN A 51 -3.327 -12.147 -18.988 1.00 0.44 C ATOM 842 O GLN A 51 -4.372 -12.509 -18.445 1.00 51.25 O ATOM 843 CB GLN A 51 -1.855 -10.688 -17.586 1.00 73.01 C ATOM 844 CG GLN A 51 -0.592 -10.538 -16.754 1.00 31.42 C ATOM 845 CD GLN A 51 -0.342 -11.732 -15.852 1.00 54.54 C ATOM 846 OE1 GLN A 51 -1.079 -11.965 -14.894 1.00 33.01 O ATOM 847 NE2 GLN A 51 0.701 -12.495 -16.156 1.00 0.23 N ATOM 0 H GLN A 51 -0.206 -11.636 -19.152 1.00 42.05 H new ATOM 0 HA GLN A 51 -2.062 -12.819 -17.403 1.00 24.30 H new ATOM 0 HB2 GLN A 51 -1.845 -9.945 -18.384 1.00 73.01 H new ATOM 0 HB3 GLN A 51 -2.720 -10.471 -16.960 1.00 73.01 H new ATOM 0 HG2 GLN A 51 0.262 -10.404 -17.418 1.00 31.42 H new ATOM 0 HG3 GLN A 51 -0.667 -9.637 -16.145 1.00 31.42 H new ATOM 0 HE21 GLN A 51 1.285 -12.264 -16.960 1.00 0.23 H new ATOM 0 HE22 GLN A 51 0.918 -13.312 -15.586 1.00 0.23 H new ATOM 856 N LEU A 52 -3.260 -11.796 -20.267 1.00 74.12 N ATOM 857 CA LEU A 52 -4.438 -11.817 -21.129 1.00 24.24 C ATOM 858 C LEU A 52 -5.013 -13.226 -21.229 1.00 74.15 C ATOM 859 O LEU A 52 -6.213 -13.431 -21.048 1.00 71.41 O ATOM 860 CB LEU A 52 -4.083 -11.298 -22.523 1.00 10.20 C ATOM 861 CG LEU A 52 -3.408 -9.927 -22.577 1.00 25.11 C ATOM 862 CD1 LEU A 52 -2.747 -9.710 -23.930 1.00 35.13 C ATOM 863 CD2 LEU A 52 -4.416 -8.824 -22.290 1.00 41.04 C ATOM 0 H LEU A 52 -2.403 -11.493 -20.731 1.00 74.12 H new ATOM 0 HA LEU A 52 -5.193 -11.167 -20.688 1.00 24.24 H new ATOM 0 HB2 LEU A 52 -3.426 -12.023 -23.002 1.00 10.20 H new ATOM 0 HB3 LEU A 52 -4.996 -11.255 -23.116 1.00 10.20 H new ATOM 0 HG LEU A 52 -2.635 -9.893 -21.809 1.00 25.11 H new ATOM 0 HD11 LEU A 52 -2.272 -8.729 -23.950 1.00 35.13 H new ATOM 0 HD12 LEU A 52 -1.994 -10.481 -24.095 1.00 35.13 H new ATOM 0 HD13 LEU A 52 -3.500 -9.764 -24.716 1.00 35.13 H new ATOM 0 HD21 LEU A 52 -3.918 -7.856 -22.333 1.00 41.04 H new ATOM 0 HD22 LEU A 52 -5.212 -8.856 -23.034 1.00 41.04 H new ATOM 0 HD23 LEU A 52 -4.842 -8.969 -21.297 1.00 41.04 H new ATOM 875 N ALA A 53 -4.149 -14.194 -21.518 1.00 11.41 N ATOM 876 CA ALA A 53 -4.571 -15.584 -21.638 1.00 41.34 C ATOM 877 C ALA A 53 -5.042 -16.133 -20.296 1.00 55.32 C ATOM 878 O ALA A 53 -5.963 -16.947 -20.238 1.00 21.11 O ATOM 879 CB ALA A 53 -3.436 -16.434 -22.189 1.00 45.21 C ATOM 0 H ALA A 53 -3.153 -14.041 -21.673 1.00 11.41 H new ATOM 0 HA ALA A 53 -5.411 -15.624 -22.332 1.00 41.34 H new ATOM 0 HB1 ALA A 53 -3.765 -17.470 -22.273 1.00 45.21 H new ATOM 0 HB2 ALA A 53 -3.148 -16.063 -23.173 1.00 45.21 H new ATOM 0 HB3 ALA A 53 -2.580 -16.379 -21.516 1.00 45.21 H new ATOM 885 N GLU A 54 -4.405 -15.681 -19.220 1.00 61.54 N ATOM 886 CA GLU A 54 -4.760 -16.130 -17.879 1.00 45.10 C ATOM 887 C GLU A 54 -6.186 -15.717 -17.526 1.00 44.35 C ATOM 888 O GLU A 54 -6.988 -16.536 -17.079 1.00 4.44 O ATOM 889 CB GLU A 54 -3.782 -15.557 -16.851 1.00 21.23 C ATOM 890 CG GLU A 54 -2.520 -16.386 -16.683 1.00 63.41 C ATOM 891 CD GLU A 54 -2.728 -17.591 -15.785 1.00 42.44 C ATOM 892 OE1 GLU A 54 -3.897 -17.922 -15.498 1.00 23.12 O ATOM 893 OE2 GLU A 54 -1.720 -18.202 -15.371 1.00 15.43 O ATOM 0 H GLU A 54 -3.642 -15.005 -19.251 1.00 61.54 H new ATOM 0 HA GLU A 54 -4.701 -17.218 -17.860 1.00 45.10 H new ATOM 0 HB2 GLU A 54 -3.505 -14.546 -17.150 1.00 21.23 H new ATOM 0 HB3 GLU A 54 -4.286 -15.478 -15.888 1.00 21.23 H new ATOM 0 HG2 GLU A 54 -2.178 -16.722 -17.662 1.00 63.41 H new ATOM 0 HG3 GLU A 54 -1.731 -15.759 -16.267 1.00 63.41 H new ATOM 900 N ALA A 55 -6.493 -14.440 -17.732 1.00 33.23 N ATOM 901 CA ALA A 55 -7.822 -13.918 -17.437 1.00 41.23 C ATOM 902 C ALA A 55 -8.849 -14.435 -18.439 1.00 12.33 C ATOM 903 O ALA A 55 -9.994 -14.714 -18.080 1.00 65.44 O ATOM 904 CB ALA A 55 -7.802 -12.396 -17.436 1.00 34.40 C ATOM 0 H ALA A 55 -5.840 -13.749 -18.102 1.00 33.23 H new ATOM 0 HA ALA A 55 -8.112 -14.268 -16.446 1.00 41.23 H new ATOM 0 HB1 ALA A 55 -8.800 -12.019 -17.214 1.00 34.40 H new ATOM 0 HB2 ALA A 55 -7.104 -12.042 -16.678 1.00 34.40 H new ATOM 0 HB3 ALA A 55 -7.487 -12.036 -18.415 1.00 34.40 H new ATOM 910 N TYR A 56 -8.434 -14.559 -19.694 1.00 51.43 N ATOM 911 CA TYR A 56 -9.320 -15.039 -20.748 1.00 43.03 C ATOM 912 C TYR A 56 -9.662 -16.512 -20.543 1.00 45.35 C ATOM 913 O TYR A 56 -10.712 -16.982 -20.978 1.00 51.04 O ATOM 914 CB TYR A 56 -8.670 -14.841 -22.119 1.00 13.51 C ATOM 915 CG TYR A 56 -9.343 -15.619 -23.226 1.00 73.54 C ATOM 916 CD1 TYR A 56 -10.404 -15.075 -23.940 1.00 42.40 C ATOM 917 CD2 TYR A 56 -8.920 -16.900 -23.558 1.00 63.35 C ATOM 918 CE1 TYR A 56 -11.022 -15.783 -24.952 1.00 53.33 C ATOM 919 CE2 TYR A 56 -9.531 -17.615 -24.570 1.00 72.01 C ATOM 920 CZ TYR A 56 -10.582 -17.052 -25.264 1.00 31.22 C ATOM 921 OH TYR A 56 -11.195 -17.762 -26.271 1.00 41.42 O ATOM 0 H TYR A 56 -7.490 -14.334 -20.007 1.00 51.43 H new ATOM 0 HA TYR A 56 -10.243 -14.461 -20.704 1.00 43.03 H new ATOM 0 HB2 TYR A 56 -8.687 -13.780 -22.370 1.00 13.51 H new ATOM 0 HB3 TYR A 56 -7.623 -15.139 -22.062 1.00 13.51 H new ATOM 0 HD1 TYR A 56 -10.751 -14.081 -23.699 1.00 42.40 H new ATOM 0 HD2 TYR A 56 -8.099 -17.345 -23.015 1.00 63.35 H new ATOM 0 HE1 TYR A 56 -11.846 -15.345 -25.496 1.00 53.33 H new ATOM 0 HE2 TYR A 56 -9.188 -18.609 -24.816 1.00 72.01 H new ATOM 0 HH TYR A 56 -10.764 -18.637 -26.364 1.00 41.42 H new ATOM 931 N GLU A 57 -8.766 -17.233 -19.877 1.00 64.33 N ATOM 932 CA GLU A 57 -8.972 -18.653 -19.614 1.00 42.35 C ATOM 933 C GLU A 57 -10.256 -18.878 -18.822 1.00 32.31 C ATOM 934 O GLU A 57 -11.087 -19.710 -19.187 1.00 64.44 O ATOM 935 CB GLU A 57 -7.779 -19.231 -18.850 1.00 34.12 C ATOM 936 CG GLU A 57 -6.843 -20.057 -19.716 1.00 51.42 C ATOM 937 CD GLU A 57 -7.168 -21.537 -19.680 1.00 75.21 C ATOM 938 OE1 GLU A 57 -6.267 -22.351 -19.971 1.00 1.40 O ATOM 939 OE2 GLU A 57 -8.326 -21.882 -19.360 1.00 65.14 O ATOM 0 H GLU A 57 -7.891 -16.858 -19.510 1.00 64.33 H new ATOM 0 HA GLU A 57 -9.062 -19.165 -20.572 1.00 42.35 H new ATOM 0 HB2 GLU A 57 -7.216 -18.413 -18.399 1.00 34.12 H new ATOM 0 HB3 GLU A 57 -8.148 -19.852 -18.034 1.00 34.12 H new ATOM 0 HG2 GLU A 57 -6.898 -19.702 -20.745 1.00 51.42 H new ATOM 0 HG3 GLU A 57 -5.817 -19.906 -19.381 1.00 51.42 H new ATOM 946 N VAL A 58 -10.412 -18.131 -17.734 1.00 20.14 N ATOM 947 CA VAL A 58 -11.594 -18.248 -16.889 1.00 34.23 C ATOM 948 C VAL A 58 -12.807 -17.600 -17.548 1.00 30.53 C ATOM 949 O VAL A 58 -13.921 -18.119 -17.469 1.00 35.23 O ATOM 950 CB VAL A 58 -11.366 -17.600 -15.510 1.00 63.22 C ATOM 951 CG1 VAL A 58 -12.535 -17.891 -14.582 1.00 74.44 C ATOM 952 CG2 VAL A 58 -10.059 -18.087 -14.903 1.00 62.51 C ATOM 0 H VAL A 58 -9.734 -17.438 -17.417 1.00 20.14 H new ATOM 0 HA VAL A 58 -11.782 -19.313 -16.755 1.00 34.23 H new ATOM 0 HB VAL A 58 -11.299 -16.520 -15.642 1.00 63.22 H new ATOM 0 HG11 VAL A 58 -12.355 -17.425 -13.613 1.00 74.44 H new ATOM 0 HG12 VAL A 58 -13.451 -17.488 -15.014 1.00 74.44 H new ATOM 0 HG13 VAL A 58 -12.638 -18.968 -14.453 1.00 74.44 H new ATOM 0 HG21 VAL A 58 -9.914 -17.619 -13.929 1.00 62.51 H new ATOM 0 HG22 VAL A 58 -10.094 -19.170 -14.784 1.00 62.51 H new ATOM 0 HG23 VAL A 58 -9.231 -17.821 -15.560 1.00 62.51 H new ATOM 962 N LEU A 59 -12.583 -16.464 -18.198 1.00 71.23 N ATOM 963 CA LEU A 59 -13.658 -15.744 -18.873 1.00 22.21 C ATOM 964 C LEU A 59 -14.084 -16.469 -20.145 1.00 60.34 C ATOM 965 O LEU A 59 -15.072 -16.101 -20.780 1.00 73.21 O ATOM 966 CB LEU A 59 -13.212 -14.320 -19.209 1.00 22.12 C ATOM 967 CG LEU A 59 -13.685 -13.225 -18.252 1.00 23.43 C ATOM 968 CD1 LEU A 59 -13.347 -13.590 -16.815 1.00 24.25 C ATOM 969 CD2 LEU A 59 -13.064 -11.887 -18.624 1.00 51.31 C ATOM 0 H LEU A 59 -11.667 -16.021 -18.272 1.00 71.23 H new ATOM 0 HA LEU A 59 -14.513 -15.701 -18.198 1.00 22.21 H new ATOM 0 HB2 LEU A 59 -12.123 -14.300 -19.242 1.00 22.12 H new ATOM 0 HB3 LEU A 59 -13.566 -14.077 -20.211 1.00 22.12 H new ATOM 0 HG LEU A 59 -14.768 -13.137 -18.338 1.00 23.43 H new ATOM 0 HD11 LEU A 59 -13.691 -12.799 -16.148 1.00 24.25 H new ATOM 0 HD12 LEU A 59 -13.839 -14.526 -16.552 1.00 24.25 H new ATOM 0 HD13 LEU A 59 -12.268 -13.706 -16.713 1.00 24.25 H new ATOM 0 HD21 LEU A 59 -13.412 -11.120 -17.932 1.00 51.31 H new ATOM 0 HD22 LEU A 59 -11.978 -11.962 -18.567 1.00 51.31 H new ATOM 0 HD23 LEU A 59 -13.357 -11.620 -19.639 1.00 51.31 H new ATOM 981 N SER A 60 -13.333 -17.503 -20.511 1.00 62.02 N ATOM 982 CA SER A 60 -13.632 -18.279 -21.709 1.00 23.31 C ATOM 983 C SER A 60 -14.856 -19.164 -21.491 1.00 44.04 C ATOM 984 O SER A 60 -15.454 -19.660 -22.446 1.00 54.41 O ATOM 985 CB SER A 60 -12.428 -19.141 -22.098 1.00 15.54 C ATOM 986 OG SER A 60 -12.761 -20.041 -23.140 1.00 51.43 O ATOM 0 H SER A 60 -12.513 -17.823 -19.995 1.00 62.02 H new ATOM 0 HA SER A 60 -13.848 -17.582 -22.519 1.00 23.31 H new ATOM 0 HB2 SER A 60 -11.605 -18.500 -22.416 1.00 15.54 H new ATOM 0 HB3 SER A 60 -12.080 -19.699 -21.229 1.00 15.54 H new ATOM 0 HG SER A 60 -11.975 -20.579 -23.371 1.00 51.43 H new ATOM 992 N ASP A 61 -15.221 -19.357 -20.229 1.00 21.30 N ATOM 993 CA ASP A 61 -16.374 -20.181 -19.884 1.00 61.02 C ATOM 994 C ASP A 61 -17.244 -19.488 -18.840 1.00 70.32 C ATOM 995 O ASP A 61 -16.735 -18.903 -17.885 1.00 54.51 O ATOM 996 CB ASP A 61 -15.916 -21.544 -19.362 1.00 10.32 C ATOM 997 CG ASP A 61 -16.904 -22.648 -19.683 1.00 25.33 C ATOM 998 OD1 ASP A 61 -16.499 -23.637 -20.331 1.00 1.45 O ATOM 999 OD2 ASP A 61 -18.081 -22.525 -19.285 1.00 63.13 O ATOM 0 H ASP A 61 -14.735 -18.954 -19.427 1.00 21.30 H new ATOM 0 HA ASP A 61 -16.968 -20.328 -20.786 1.00 61.02 H new ATOM 0 HB2 ASP A 61 -14.947 -21.790 -19.797 1.00 10.32 H new ATOM 0 HB3 ASP A 61 -15.776 -21.488 -18.282 1.00 10.32 H new ATOM 1004 N GLU A 62 -18.558 -19.559 -19.031 1.00 22.24 N ATOM 1005 CA GLU A 62 -19.498 -18.937 -18.106 1.00 2.22 C ATOM 1006 C GLU A 62 -19.341 -19.512 -16.701 1.00 45.11 C ATOM 1007 O GLU A 62 -19.353 -18.778 -15.713 1.00 20.24 O ATOM 1008 CB GLU A 62 -20.935 -19.136 -18.593 1.00 25.54 C ATOM 1009 CG GLU A 62 -21.134 -18.790 -20.058 1.00 53.54 C ATOM 1010 CD GLU A 62 -22.598 -18.740 -20.452 1.00 2.00 C ATOM 1011 OE1 GLU A 62 -23.322 -17.865 -19.933 1.00 2.42 O ATOM 1012 OE2 GLU A 62 -23.019 -19.576 -21.278 1.00 53.12 O ATOM 0 H GLU A 62 -18.995 -20.040 -19.817 1.00 22.24 H new ATOM 0 HA GLU A 62 -19.279 -17.870 -18.069 1.00 2.22 H new ATOM 0 HB2 GLU A 62 -21.224 -20.174 -18.431 1.00 25.54 H new ATOM 0 HB3 GLU A 62 -21.603 -18.521 -17.989 1.00 25.54 H new ATOM 0 HG2 GLU A 62 -20.673 -17.824 -20.265 1.00 53.54 H new ATOM 0 HG3 GLU A 62 -20.621 -19.528 -20.675 1.00 53.54 H new ATOM 1019 N VAL A 63 -19.193 -20.831 -16.621 1.00 12.40 N ATOM 1020 CA VAL A 63 -19.033 -21.505 -15.339 1.00 30.55 C ATOM 1021 C VAL A 63 -17.827 -20.964 -14.579 1.00 51.23 C ATOM 1022 O VAL A 63 -17.942 -20.543 -13.428 1.00 23.32 O ATOM 1023 CB VAL A 63 -18.870 -23.026 -15.521 1.00 72.20 C ATOM 1024 CG1 VAL A 63 -18.889 -23.731 -14.173 1.00 51.02 C ATOM 1025 CG2 VAL A 63 -19.958 -23.572 -16.433 1.00 34.51 C ATOM 0 H VAL A 63 -19.181 -21.453 -17.429 1.00 12.40 H new ATOM 0 HA VAL A 63 -19.938 -21.309 -14.764 1.00 30.55 H new ATOM 0 HB VAL A 63 -17.905 -23.217 -15.990 1.00 72.20 H new ATOM 0 HG11 VAL A 63 -18.773 -24.804 -14.322 1.00 51.02 H new ATOM 0 HG12 VAL A 63 -18.070 -23.359 -13.557 1.00 51.02 H new ATOM 0 HG13 VAL A 63 -19.838 -23.535 -13.673 1.00 51.02 H new ATOM 0 HG21 VAL A 63 -19.828 -24.648 -16.551 1.00 34.51 H new ATOM 0 HG22 VAL A 63 -20.935 -23.370 -15.995 1.00 34.51 H new ATOM 0 HG23 VAL A 63 -19.891 -23.090 -17.408 1.00 34.51 H new ATOM 1035 N LYS A 64 -16.670 -20.976 -15.232 1.00 23.11 N ATOM 1036 CA LYS A 64 -15.441 -20.485 -14.621 1.00 3.55 C ATOM 1037 C LYS A 64 -15.540 -18.991 -14.325 1.00 23.54 C ATOM 1038 O LYS A 64 -15.197 -18.542 -13.231 1.00 44.10 O ATOM 1039 CB LYS A 64 -14.246 -20.755 -15.538 1.00 74.33 C ATOM 1040 CG LYS A 64 -13.974 -22.233 -15.761 1.00 45.35 C ATOM 1041 CD LYS A 64 -12.648 -22.454 -16.470 1.00 62.12 C ATOM 1042 CE LYS A 64 -12.664 -21.876 -17.877 1.00 13.22 C ATOM 1043 NZ LYS A 64 -11.557 -22.417 -18.712 1.00 62.12 N ATOM 0 H LYS A 64 -16.558 -21.321 -16.185 1.00 23.11 H new ATOM 0 HA LYS A 64 -15.296 -21.016 -13.680 1.00 3.55 H new ATOM 0 HB2 LYS A 64 -14.422 -20.277 -16.502 1.00 74.33 H new ATOM 0 HB3 LYS A 64 -13.358 -20.291 -15.110 1.00 74.33 H new ATOM 0 HG2 LYS A 64 -13.966 -22.751 -14.802 1.00 45.35 H new ATOM 0 HG3 LYS A 64 -14.781 -22.668 -16.352 1.00 45.35 H new ATOM 0 HD2 LYS A 64 -11.846 -21.992 -15.895 1.00 62.12 H new ATOM 0 HD3 LYS A 64 -12.433 -23.522 -16.517 1.00 62.12 H new ATOM 0 HE2 LYS A 64 -13.619 -22.101 -18.351 1.00 13.22 H new ATOM 0 HE3 LYS A 64 -12.582 -20.790 -17.824 1.00 13.22 H new ATOM 0 HZ1 LYS A 64 -11.029 -21.630 -19.140 1.00 62.12 H new ATOM 0 HZ2 LYS A 64 -10.917 -22.981 -18.117 1.00 62.12 H new ATOM 0 HZ3 LYS A 64 -11.951 -23.019 -19.463 1.00 62.12 H new ATOM 1057 N ARG A 65 -16.012 -18.229 -15.305 1.00 42.50 N ATOM 1058 CA ARG A 65 -16.156 -16.786 -15.149 1.00 20.22 C ATOM 1059 C ARG A 65 -17.050 -16.455 -13.958 1.00 34.13 C ATOM 1060 O ARG A 65 -16.770 -15.530 -13.195 1.00 54.22 O ATOM 1061 CB ARG A 65 -16.736 -16.169 -16.423 1.00 30.21 C ATOM 1062 CG ARG A 65 -16.844 -14.654 -16.371 1.00 73.01 C ATOM 1063 CD ARG A 65 -17.291 -14.082 -17.707 1.00 43.53 C ATOM 1064 NE ARG A 65 -18.446 -14.792 -18.248 1.00 54.34 N ATOM 1065 CZ ARG A 65 -19.696 -14.568 -17.857 1.00 40.43 C ATOM 1066 NH1 ARG A 65 -19.950 -13.657 -16.927 1.00 61.25 N ATOM 1067 NH2 ARG A 65 -20.695 -15.255 -18.397 1.00 43.40 N ATOM 0 H ARG A 65 -16.301 -18.586 -16.216 1.00 42.50 H new ATOM 0 HA ARG A 65 -15.167 -16.365 -14.967 1.00 20.22 H new ATOM 0 HB2 ARG A 65 -16.111 -16.451 -17.270 1.00 30.21 H new ATOM 0 HB3 ARG A 65 -17.726 -16.589 -16.602 1.00 30.21 H new ATOM 0 HG2 ARG A 65 -17.552 -14.365 -15.595 1.00 73.01 H new ATOM 0 HG3 ARG A 65 -15.879 -14.228 -16.096 1.00 73.01 H new ATOM 0 HD2 ARG A 65 -17.538 -13.027 -17.585 1.00 43.53 H new ATOM 0 HD3 ARG A 65 -16.467 -14.136 -18.418 1.00 43.53 H new ATOM 0 HE ARG A 65 -18.285 -15.499 -18.965 1.00 54.34 H new ATOM 0 HH11 ARG A 65 -19.185 -13.127 -16.510 1.00 61.25 H new ATOM 0 HH12 ARG A 65 -20.910 -13.487 -16.629 1.00 61.25 H new ATOM 0 HH21 ARG A 65 -20.504 -15.956 -19.113 1.00 43.40 H new ATOM 0 HH22 ARG A 65 -21.654 -15.082 -18.096 1.00 43.40 H new ATOM 1081 N LYS A 66 -18.128 -17.217 -13.804 1.00 52.30 N ATOM 1082 CA LYS A 66 -19.064 -17.006 -12.706 1.00 73.12 C ATOM 1083 C LYS A 66 -18.423 -17.362 -11.369 1.00 32.04 C ATOM 1084 O LYS A 66 -18.606 -16.657 -10.376 1.00 62.44 O ATOM 1085 CB LYS A 66 -20.327 -17.844 -12.918 1.00 32.34 C ATOM 1086 CG LYS A 66 -21.261 -17.281 -13.974 1.00 54.32 C ATOM 1087 CD LYS A 66 -21.871 -15.961 -13.533 1.00 0.33 C ATOM 1088 CE LYS A 66 -21.880 -14.945 -14.665 1.00 12.34 C ATOM 1089 NZ LYS A 66 -23.021 -13.994 -14.548 1.00 24.24 N ATOM 0 H LYS A 66 -18.375 -17.987 -14.426 1.00 52.30 H new ATOM 0 HA LYS A 66 -19.334 -15.950 -12.689 1.00 73.12 H new ATOM 0 HB2 LYS A 66 -20.038 -18.856 -13.203 1.00 32.34 H new ATOM 0 HB3 LYS A 66 -20.865 -17.920 -11.973 1.00 32.34 H new ATOM 0 HG2 LYS A 66 -20.714 -17.137 -14.905 1.00 54.32 H new ATOM 0 HG3 LYS A 66 -22.055 -17.999 -14.179 1.00 54.32 H new ATOM 0 HD2 LYS A 66 -22.890 -16.128 -13.185 1.00 0.33 H new ATOM 0 HD3 LYS A 66 -21.307 -15.562 -12.689 1.00 0.33 H new ATOM 0 HE2 LYS A 66 -20.942 -14.389 -14.662 1.00 12.34 H new ATOM 0 HE3 LYS A 66 -21.938 -15.466 -15.620 1.00 12.34 H new ATOM 0 HZ1 LYS A 66 -22.992 -13.318 -15.338 1.00 24.24 H new ATOM 0 HZ2 LYS A 66 -23.917 -14.521 -14.577 1.00 24.24 H new ATOM 0 HZ3 LYS A 66 -22.952 -13.478 -13.648 1.00 24.24 H new