USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 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 30:sc= -0.422 USER MOD Single : A 10 GLN : amide:sc= 0.149 X(o=0.15,f=-0.29) USER MOD Single : A 17 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00397 USER MOD Single : A 20 GLN : amide:sc= -2.8 K(o=-2.8,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0287 (180deg=-0.309) 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= -0.17 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0331 USER MOD Single : A 60 SER OG : rot -6:sc= 0.192! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 -9.467 -7.449 -11.580 1.00 72.40 N ATOM 102 CA ASP A 7 -10.251 -8.562 -12.103 1.00 30.52 C ATOM 103 C ASP A 7 -9.929 -8.811 -13.573 1.00 44.10 C ATOM 104 O ASP A 7 -9.385 -7.942 -14.255 1.00 42.02 O ATOM 105 CB ASP A 7 -11.746 -8.285 -11.936 1.00 3.54 C ATOM 106 CG ASP A 7 -12.082 -7.733 -10.564 1.00 50.42 C ATOM 107 OD1 ASP A 7 -12.199 -8.535 -9.615 1.00 11.13 O ATOM 108 OD2 ASP A 7 -12.229 -6.498 -10.441 1.00 20.44 O ATOM 0 HA ASP A 7 -9.989 -9.455 -11.536 1.00 30.52 H new ATOM 0 HB2 ASP A 7 -12.069 -7.576 -12.699 1.00 3.54 H new ATOM 0 HB3 ASP A 7 -12.304 -9.207 -12.100 1.00 3.54 H new ATOM 113 N TYR A 8 -10.266 -10.002 -14.054 1.00 53.02 N ATOM 114 CA TYR A 8 -10.010 -10.366 -15.443 1.00 23.24 C ATOM 115 C TYR A 8 -10.770 -9.449 -16.396 1.00 21.31 C ATOM 116 O TYR A 8 -10.332 -9.203 -17.520 1.00 1.21 O ATOM 117 CB TYR A 8 -10.407 -11.822 -15.692 1.00 34.13 C ATOM 118 CG TYR A 8 -9.854 -12.785 -14.666 1.00 23.11 C ATOM 119 CD1 TYR A 8 -10.641 -13.806 -14.146 1.00 41.55 C ATOM 120 CD2 TYR A 8 -8.544 -12.674 -14.215 1.00 71.24 C ATOM 121 CE1 TYR A 8 -10.140 -14.687 -13.209 1.00 23.45 C ATOM 122 CE2 TYR A 8 -8.034 -13.552 -13.279 1.00 31.30 C ATOM 123 CZ TYR A 8 -8.836 -14.557 -12.778 1.00 43.04 C ATOM 124 OH TYR A 8 -8.332 -15.433 -11.844 1.00 42.13 O ATOM 0 H TYR A 8 -10.717 -10.732 -13.503 1.00 53.02 H new ATOM 0 HA TYR A 8 -8.943 -10.250 -15.631 1.00 23.24 H new ATOM 0 HB2 TYR A 8 -11.494 -11.897 -15.699 1.00 34.13 H new ATOM 0 HB3 TYR A 8 -10.060 -12.120 -16.681 1.00 34.13 H new ATOM 0 HD1 TYR A 8 -11.662 -13.912 -14.481 1.00 41.55 H new ATOM 0 HD2 TYR A 8 -7.914 -11.887 -14.603 1.00 71.24 H new ATOM 0 HE1 TYR A 8 -10.766 -15.474 -12.815 1.00 23.45 H new ATOM 0 HE2 TYR A 8 -7.013 -13.453 -12.941 1.00 31.30 H new ATOM 0 HH TYR A 8 -7.399 -15.204 -11.650 1.00 42.13 H new ATOM 134 N TYR A 9 -11.911 -8.947 -15.938 1.00 51.32 N ATOM 135 CA TYR A 9 -12.735 -8.058 -16.749 1.00 63.15 C ATOM 136 C TYR A 9 -11.907 -6.902 -17.303 1.00 61.52 C ATOM 137 O TYR A 9 -12.012 -6.558 -18.480 1.00 33.10 O ATOM 138 CB TYR A 9 -13.902 -7.514 -15.923 1.00 64.44 C ATOM 139 CG TYR A 9 -14.735 -8.593 -15.269 1.00 22.11 C ATOM 140 CD1 TYR A 9 -14.636 -8.844 -13.906 1.00 62.31 C ATOM 141 CD2 TYR A 9 -15.622 -9.361 -16.014 1.00 1.33 C ATOM 142 CE1 TYR A 9 -15.395 -9.829 -13.304 1.00 65.44 C ATOM 143 CE2 TYR A 9 -16.386 -10.347 -15.420 1.00 43.01 C ATOM 144 CZ TYR A 9 -16.268 -10.578 -14.065 1.00 51.24 C ATOM 145 OH TYR A 9 -17.027 -11.559 -13.469 1.00 63.14 O ATOM 0 H TYR A 9 -12.287 -9.140 -15.010 1.00 51.32 H new ATOM 0 HA TYR A 9 -13.129 -8.633 -17.587 1.00 63.15 H new ATOM 0 HB2 TYR A 9 -13.512 -6.850 -15.152 1.00 64.44 H new ATOM 0 HB3 TYR A 9 -14.543 -6.912 -16.567 1.00 64.44 H new ATOM 0 HD1 TYR A 9 -13.954 -8.259 -13.307 1.00 62.31 H new ATOM 0 HD2 TYR A 9 -15.716 -9.184 -17.075 1.00 1.33 H new ATOM 0 HE1 TYR A 9 -15.305 -10.011 -12.243 1.00 65.44 H new ATOM 0 HE2 TYR A 9 -17.072 -10.934 -16.013 1.00 43.01 H new ATOM 0 HH TYR A 9 -17.210 -11.311 -12.539 1.00 63.14 H new ATOM 155 N GLN A 10 -11.083 -6.309 -16.445 1.00 53.14 N ATOM 156 CA GLN A 10 -10.237 -5.192 -16.848 1.00 40.11 C ATOM 157 C GLN A 10 -9.086 -5.670 -17.728 1.00 35.04 C ATOM 158 O GLN A 10 -8.750 -5.033 -18.727 1.00 33.44 O ATOM 159 CB GLN A 10 -9.687 -4.471 -15.616 1.00 32.10 C ATOM 160 CG GLN A 10 -10.721 -3.618 -14.899 1.00 2.14 C ATOM 161 CD GLN A 10 -11.542 -4.411 -13.902 1.00 34.51 C ATOM 162 OE1 GLN A 10 -12.731 -4.654 -14.113 1.00 60.00 O ATOM 163 NE2 GLN A 10 -10.912 -4.821 -12.807 1.00 62.14 N ATOM 0 H GLN A 10 -10.983 -6.583 -15.468 1.00 53.14 H new ATOM 0 HA GLN A 10 -10.847 -4.497 -17.425 1.00 40.11 H new ATOM 0 HB2 GLN A 10 -9.291 -5.210 -14.919 1.00 32.10 H new ATOM 0 HB3 GLN A 10 -8.852 -3.838 -15.918 1.00 32.10 H new ATOM 0 HG2 GLN A 10 -10.217 -2.802 -14.381 1.00 2.14 H new ATOM 0 HG3 GLN A 10 -11.387 -3.166 -15.634 1.00 2.14 H new ATOM 0 HE21 GLN A 10 -9.926 -4.598 -12.672 1.00 62.14 H new ATOM 0 HE22 GLN A 10 -11.414 -5.359 -12.101 1.00 62.14 H new ATOM 172 N ILE A 11 -8.487 -6.794 -17.350 1.00 2.25 N ATOM 173 CA ILE A 11 -7.374 -7.357 -18.105 1.00 15.03 C ATOM 174 C ILE A 11 -7.778 -7.644 -19.547 1.00 14.31 C ATOM 175 O ILE A 11 -6.931 -7.721 -20.437 1.00 65.30 O ATOM 176 CB ILE A 11 -6.857 -8.657 -17.460 1.00 53.32 C ATOM 177 CG1 ILE A 11 -6.416 -8.396 -16.018 1.00 72.35 C ATOM 178 CG2 ILE A 11 -5.709 -9.232 -18.276 1.00 3.53 C ATOM 179 CD1 ILE A 11 -6.304 -9.653 -15.185 1.00 22.44 C ATOM 0 H ILE A 11 -8.753 -7.333 -16.526 1.00 2.25 H new ATOM 0 HA ILE A 11 -6.577 -6.614 -18.094 1.00 15.03 H new ATOM 0 HB ILE A 11 -7.667 -9.386 -17.445 1.00 53.32 H new ATOM 0 HG12 ILE A 11 -5.451 -7.889 -16.028 1.00 72.35 H new ATOM 0 HG13 ILE A 11 -7.128 -7.719 -15.546 1.00 72.35 H new ATOM 0 HG21 ILE A 11 -5.354 -10.150 -17.808 1.00 3.53 H new ATOM 0 HG22 ILE A 11 -6.054 -9.450 -19.287 1.00 3.53 H new ATOM 0 HG23 ILE A 11 -4.895 -8.508 -18.319 1.00 3.53 H new ATOM 0 HD11 ILE A 11 -5.987 -9.393 -14.175 1.00 22.44 H new ATOM 0 HD12 ILE A 11 -7.273 -10.150 -15.145 1.00 22.44 H new ATOM 0 HD13 ILE A 11 -5.571 -10.323 -15.634 1.00 22.44 H new ATOM 191 N LEU A 12 -9.078 -7.798 -19.772 1.00 35.54 N ATOM 192 CA LEU A 12 -9.597 -8.075 -21.107 1.00 45.31 C ATOM 193 C LEU A 12 -10.315 -6.855 -21.675 1.00 61.15 C ATOM 194 O LEU A 12 -10.546 -6.763 -22.880 1.00 64.44 O ATOM 195 CB LEU A 12 -10.550 -9.270 -21.068 1.00 61.35 C ATOM 196 CG LEU A 12 -9.912 -10.645 -21.273 1.00 44.32 C ATOM 197 CD1 LEU A 12 -10.923 -11.748 -21.004 1.00 63.31 C ATOM 198 CD2 LEU A 12 -9.348 -10.767 -22.682 1.00 14.44 C ATOM 0 H LEU A 12 -9.793 -7.736 -19.047 1.00 35.54 H new ATOM 0 HA LEU A 12 -8.754 -8.313 -21.756 1.00 45.31 H new ATOM 0 HB2 LEU A 12 -11.062 -9.269 -20.106 1.00 61.35 H new ATOM 0 HB3 LEU A 12 -11.311 -9.127 -21.835 1.00 61.35 H new ATOM 0 HG LEU A 12 -9.091 -10.753 -20.564 1.00 44.32 H new ATOM 0 HD11 LEU A 12 -10.451 -12.719 -21.155 1.00 63.31 H new ATOM 0 HD12 LEU A 12 -11.278 -11.673 -19.976 1.00 63.31 H new ATOM 0 HD13 LEU A 12 -11.766 -11.644 -21.688 1.00 63.31 H new ATOM 0 HD21 LEU A 12 -8.898 -11.752 -22.810 1.00 14.44 H new ATOM 0 HD22 LEU A 12 -10.151 -10.638 -23.408 1.00 14.44 H new ATOM 0 HD23 LEU A 12 -8.591 -9.999 -22.839 1.00 14.44 H new ATOM 210 N GLY A 13 -10.665 -5.918 -20.799 1.00 24.52 N ATOM 211 CA GLY A 13 -11.351 -4.716 -21.232 1.00 51.35 C ATOM 212 C GLY A 13 -12.826 -4.952 -21.492 1.00 43.52 C ATOM 213 O GLY A 13 -13.445 -4.242 -22.285 1.00 14.24 O ATOM 0 H GLY A 13 -10.485 -5.971 -19.796 1.00 24.52 H new ATOM 0 HA2 GLY A 13 -11.238 -3.943 -20.472 1.00 51.35 H new ATOM 0 HA3 GLY A 13 -10.881 -4.340 -22.141 1.00 51.35 H new ATOM 217 N VAL A 14 -13.390 -5.953 -20.824 1.00 50.32 N ATOM 218 CA VAL A 14 -14.801 -6.281 -20.987 1.00 72.11 C ATOM 219 C VAL A 14 -15.585 -5.983 -19.714 1.00 53.31 C ATOM 220 O VAL A 14 -15.050 -6.005 -18.606 1.00 23.32 O ATOM 221 CB VAL A 14 -14.993 -7.763 -21.360 1.00 33.12 C ATOM 222 CG1 VAL A 14 -14.270 -8.085 -22.658 1.00 64.53 C ATOM 223 CG2 VAL A 14 -14.509 -8.663 -20.233 1.00 12.45 C ATOM 0 H VAL A 14 -12.891 -6.551 -20.165 1.00 50.32 H new ATOM 0 HA VAL A 14 -15.179 -5.658 -21.797 1.00 72.11 H new ATOM 0 HB VAL A 14 -16.057 -7.947 -21.510 1.00 33.12 H new ATOM 0 HG11 VAL A 14 -14.417 -9.136 -22.905 1.00 64.53 H new ATOM 0 HG12 VAL A 14 -14.669 -7.464 -23.460 1.00 64.53 H new ATOM 0 HG13 VAL A 14 -13.205 -7.886 -22.540 1.00 64.53 H new ATOM 0 HG21 VAL A 14 -14.652 -9.706 -20.514 1.00 12.45 H new ATOM 0 HG22 VAL A 14 -13.451 -8.479 -20.049 1.00 12.45 H new ATOM 0 HG23 VAL A 14 -15.077 -8.450 -19.328 1.00 12.45 H new ATOM 233 N PRO A 15 -16.886 -5.697 -19.874 1.00 0.42 N ATOM 234 CA PRO A 15 -17.773 -5.389 -18.748 1.00 21.12 C ATOM 235 C PRO A 15 -18.048 -6.610 -17.876 1.00 42.23 C ATOM 236 O PRO A 15 -17.616 -7.719 -18.191 1.00 43.20 O ATOM 237 CB PRO A 15 -19.060 -4.917 -19.429 1.00 31.42 C ATOM 238 CG PRO A 15 -19.039 -5.566 -20.770 1.00 32.45 C ATOM 239 CD PRO A 15 -17.591 -5.652 -21.166 1.00 11.32 C ATOM 0 HA PRO A 15 -17.336 -4.652 -18.075 1.00 21.12 H new ATOM 0 HB2 PRO A 15 -19.941 -5.213 -18.860 1.00 31.42 H new ATOM 0 HB3 PRO A 15 -19.087 -3.831 -19.515 1.00 31.42 H new ATOM 0 HG2 PRO A 15 -19.492 -6.556 -20.731 1.00 32.45 H new ATOM 0 HG3 PRO A 15 -19.608 -4.983 -21.495 1.00 32.45 H new ATOM 0 HD2 PRO A 15 -17.390 -6.541 -21.764 1.00 11.32 H new ATOM 0 HD3 PRO A 15 -17.285 -4.791 -21.761 1.00 11.32 H new ATOM 247 N ARG A 16 -18.769 -6.398 -16.780 1.00 71.43 N ATOM 248 CA ARG A 16 -19.101 -7.482 -15.863 1.00 42.01 C ATOM 249 C ARG A 16 -20.258 -8.317 -16.404 1.00 13.44 C ATOM 250 O ARG A 16 -20.585 -9.370 -15.858 1.00 2.41 O ATOM 251 CB ARG A 16 -19.462 -6.921 -14.486 1.00 42.15 C ATOM 252 CG ARG A 16 -18.398 -6.005 -13.904 1.00 23.42 C ATOM 253 CD ARG A 16 -17.249 -6.799 -13.302 1.00 24.21 C ATOM 254 NE ARG A 16 -17.526 -7.207 -11.927 1.00 42.42 N ATOM 255 CZ ARG A 16 -17.588 -6.358 -10.907 1.00 55.45 C ATOM 256 NH1 ARG A 16 -17.395 -5.061 -11.107 1.00 71.21 N ATOM 257 NH2 ARG A 16 -17.846 -6.805 -9.685 1.00 5.10 N ATOM 0 H ARG A 16 -19.134 -5.486 -16.505 1.00 71.43 H new ATOM 0 HA ARG A 16 -18.226 -8.125 -15.768 1.00 42.01 H new ATOM 0 HB2 ARG A 16 -20.401 -6.372 -14.561 1.00 42.15 H new ATOM 0 HB3 ARG A 16 -19.632 -7.750 -13.798 1.00 42.15 H new ATOM 0 HG2 ARG A 16 -18.017 -5.346 -14.684 1.00 23.42 H new ATOM 0 HG3 ARG A 16 -18.843 -5.369 -13.139 1.00 23.42 H new ATOM 0 HD2 ARG A 16 -17.061 -7.683 -13.911 1.00 24.21 H new ATOM 0 HD3 ARG A 16 -16.341 -6.197 -13.325 1.00 24.21 H new ATOM 0 HE ARG A 16 -17.680 -8.198 -11.740 1.00 42.42 H new ATOM 0 HH11 ARG A 16 -17.198 -4.713 -12.046 1.00 71.21 H new ATOM 0 HH12 ARG A 16 -17.443 -4.411 -10.322 1.00 71.21 H new ATOM 0 HH21 ARG A 16 -17.997 -7.801 -9.528 1.00 5.10 H new ATOM 0 HH22 ARG A 16 -17.893 -6.152 -8.903 1.00 5.10 H new ATOM 271 N ASN A 17 -20.875 -7.838 -17.479 1.00 42.42 N ATOM 272 CA ASN A 17 -21.997 -8.539 -18.093 1.00 4.11 C ATOM 273 C ASN A 17 -21.623 -9.055 -19.479 1.00 62.11 C ATOM 274 O ASN A 17 -22.458 -9.613 -20.191 1.00 5.22 O ATOM 275 CB ASN A 17 -23.211 -7.613 -18.192 1.00 31.55 C ATOM 276 CG ASN A 17 -23.791 -7.274 -16.832 1.00 72.11 C ATOM 277 OD1 ASN A 17 -23.676 -8.051 -15.884 1.00 70.11 O ATOM 278 ND2 ASN A 17 -24.419 -6.108 -16.731 1.00 74.53 N ATOM 0 H ASN A 17 -20.617 -6.967 -17.943 1.00 42.42 H new ATOM 0 HA ASN A 17 -22.249 -9.392 -17.463 1.00 4.11 H new ATOM 0 HB2 ASN A 17 -22.923 -6.693 -18.701 1.00 31.55 H new ATOM 0 HB3 ASN A 17 -23.978 -8.088 -18.803 1.00 31.55 H new ATOM 0 HD21 ASN A 17 -24.830 -5.825 -15.841 1.00 74.53 H new ATOM 0 HD22 ASN A 17 -24.490 -5.495 -17.543 1.00 74.53 H new ATOM 285 N ALA A 18 -20.362 -8.865 -19.855 1.00 73.40 N ATOM 286 CA ALA A 18 -19.877 -9.314 -21.154 1.00 42.02 C ATOM 287 C ALA A 18 -20.177 -10.793 -21.372 1.00 34.13 C ATOM 288 O ALA A 18 -20.406 -11.537 -20.418 1.00 0.32 O ATOM 289 CB ALA A 18 -18.383 -9.053 -21.278 1.00 60.21 C ATOM 0 H ALA A 18 -19.659 -8.403 -19.278 1.00 73.40 H new ATOM 0 HA ALA A 18 -20.400 -8.747 -21.925 1.00 42.02 H new ATOM 0 HB1 ALA A 18 -18.034 -9.393 -22.253 1.00 60.21 H new ATOM 0 HB2 ALA A 18 -18.191 -7.985 -21.176 1.00 60.21 H new ATOM 0 HB3 ALA A 18 -17.853 -9.594 -20.494 1.00 60.21 H new ATOM 295 N SER A 19 -20.176 -11.213 -22.633 1.00 33.22 N ATOM 296 CA SER A 19 -20.453 -12.603 -22.976 1.00 35.13 C ATOM 297 C SER A 19 -19.181 -13.317 -23.423 1.00 11.44 C ATOM 298 O SER A 19 -18.148 -12.685 -23.641 1.00 63.13 O ATOM 299 CB SER A 19 -21.508 -12.677 -24.081 1.00 74.13 C ATOM 300 OG SER A 19 -21.446 -11.538 -24.922 1.00 73.45 O ATOM 0 H SER A 19 -19.986 -10.611 -23.434 1.00 33.22 H new ATOM 0 HA SER A 19 -20.834 -13.102 -22.085 1.00 35.13 H new ATOM 0 HB2 SER A 19 -21.356 -13.579 -24.673 1.00 74.13 H new ATOM 0 HB3 SER A 19 -22.500 -12.751 -23.636 1.00 74.13 H new ATOM 0 HG SER A 19 -22.129 -11.610 -25.621 1.00 73.45 H new ATOM 306 N GLN A 20 -19.266 -14.636 -23.556 1.00 21.33 N ATOM 307 CA GLN A 20 -18.121 -15.436 -23.976 1.00 34.34 C ATOM 308 C GLN A 20 -17.692 -15.071 -25.393 1.00 14.32 C ATOM 309 O GLN A 20 -16.530 -15.238 -25.764 1.00 14.51 O ATOM 310 CB GLN A 20 -18.459 -16.926 -23.901 1.00 21.34 C ATOM 311 CG GLN A 20 -19.181 -17.323 -22.623 1.00 51.01 C ATOM 312 CD GLN A 20 -18.566 -16.698 -21.387 1.00 3.04 C ATOM 313 OE1 GLN A 20 -19.027 -15.662 -20.905 1.00 64.54 O ATOM 314 NE2 GLN A 20 -17.518 -17.325 -20.865 1.00 33.43 N ATOM 0 H GLN A 20 -20.115 -15.174 -23.379 1.00 21.33 H new ATOM 0 HA GLN A 20 -17.293 -15.223 -23.299 1.00 34.34 H new ATOM 0 HB2 GLN A 20 -19.079 -17.193 -24.757 1.00 21.34 H new ATOM 0 HB3 GLN A 20 -17.538 -17.503 -23.983 1.00 21.34 H new ATOM 0 HG2 GLN A 20 -20.227 -17.025 -22.694 1.00 51.01 H new ATOM 0 HG3 GLN A 20 -19.165 -18.408 -22.523 1.00 51.01 H new ATOM 0 HE21 GLN A 20 -17.169 -18.181 -21.296 1.00 33.43 H new ATOM 0 HE22 GLN A 20 -17.062 -16.951 -20.033 1.00 33.43 H new ATOM 323 N LYS A 21 -18.638 -14.572 -26.182 1.00 0.44 N ATOM 324 CA LYS A 21 -18.359 -14.181 -27.558 1.00 60.15 C ATOM 325 C LYS A 21 -17.648 -12.833 -27.608 1.00 43.41 C ATOM 326 O LYS A 21 -16.700 -12.649 -28.371 1.00 53.14 O ATOM 327 CB LYS A 21 -19.658 -14.114 -28.365 1.00 31.34 C ATOM 328 CG LYS A 21 -20.420 -15.428 -28.399 1.00 55.44 C ATOM 329 CD LYS A 21 -21.654 -15.333 -29.282 1.00 22.11 C ATOM 330 CE LYS A 21 -22.277 -16.700 -29.516 1.00 75.53 C ATOM 331 NZ LYS A 21 -21.392 -17.582 -30.327 1.00 35.11 N ATOM 0 H LYS A 21 -19.605 -14.429 -25.891 1.00 0.44 H new ATOM 0 HA LYS A 21 -17.704 -14.934 -27.997 1.00 60.15 H new ATOM 0 HB2 LYS A 21 -20.300 -13.342 -27.941 1.00 31.34 H new ATOM 0 HB3 LYS A 21 -19.427 -13.811 -29.386 1.00 31.34 H new ATOM 0 HG2 LYS A 21 -19.767 -16.219 -28.768 1.00 55.44 H new ATOM 0 HG3 LYS A 21 -20.716 -15.705 -27.387 1.00 55.44 H new ATOM 0 HD2 LYS A 21 -22.386 -14.673 -28.817 1.00 22.11 H new ATOM 0 HD3 LYS A 21 -21.385 -14.886 -30.239 1.00 22.11 H new ATOM 0 HE2 LYS A 21 -22.482 -17.175 -28.556 1.00 75.53 H new ATOM 0 HE3 LYS A 21 -23.234 -16.581 -30.023 1.00 75.53 H new ATOM 0 HZ1 LYS A 21 -21.947 -18.376 -30.707 1.00 35.11 H new ATOM 0 HZ2 LYS A 21 -20.985 -17.037 -31.113 1.00 35.11 H new ATOM 0 HZ3 LYS A 21 -20.626 -17.950 -29.728 1.00 35.11 H new ATOM 345 N GLU A 22 -18.111 -11.894 -26.788 1.00 44.15 N ATOM 346 CA GLU A 22 -17.517 -10.563 -26.740 1.00 0.12 C ATOM 347 C GLU A 22 -16.094 -10.621 -26.191 1.00 71.55 C ATOM 348 O GLU A 22 -15.232 -9.836 -26.588 1.00 72.50 O ATOM 349 CB GLU A 22 -18.370 -9.631 -25.876 1.00 60.05 C ATOM 350 CG GLU A 22 -17.776 -8.242 -25.710 1.00 30.43 C ATOM 351 CD GLU A 22 -17.494 -7.565 -27.037 1.00 31.32 C ATOM 352 OE1 GLU A 22 -18.463 -7.205 -27.737 1.00 61.14 O ATOM 353 OE2 GLU A 22 -16.304 -7.395 -27.374 1.00 63.44 O ATOM 0 H GLU A 22 -18.894 -12.030 -26.149 1.00 44.15 H new ATOM 0 HA GLU A 22 -17.480 -10.173 -27.757 1.00 0.12 H new ATOM 0 HB2 GLU A 22 -19.361 -9.542 -26.321 1.00 60.05 H new ATOM 0 HB3 GLU A 22 -18.502 -10.081 -24.892 1.00 60.05 H new ATOM 0 HG2 GLU A 22 -18.462 -7.625 -25.130 1.00 30.43 H new ATOM 0 HG3 GLU A 22 -16.850 -8.313 -25.139 1.00 30.43 H new ATOM 360 N ILE A 23 -15.857 -11.556 -25.278 1.00 24.34 N ATOM 361 CA ILE A 23 -14.539 -11.718 -24.675 1.00 52.13 C ATOM 362 C ILE A 23 -13.521 -12.203 -25.702 1.00 32.13 C ATOM 363 O ILE A 23 -12.345 -11.843 -25.645 1.00 12.12 O ATOM 364 CB ILE A 23 -14.576 -12.709 -23.497 1.00 74.55 C ATOM 365 CG1 ILE A 23 -15.509 -12.195 -22.399 1.00 32.50 C ATOM 366 CG2 ILE A 23 -13.175 -12.933 -22.949 1.00 12.35 C ATOM 367 CD1 ILE A 23 -16.175 -13.299 -21.607 1.00 11.44 C ATOM 0 H ILE A 23 -16.560 -12.213 -24.939 1.00 24.34 H new ATOM 0 HA ILE A 23 -14.239 -10.738 -24.304 1.00 52.13 H new ATOM 0 HB ILE A 23 -14.961 -13.664 -23.856 1.00 74.55 H new ATOM 0 HG12 ILE A 23 -14.941 -11.562 -21.718 1.00 32.50 H new ATOM 0 HG13 ILE A 23 -16.278 -11.568 -22.851 1.00 32.50 H new ATOM 0 HG21 ILE A 23 -13.218 -13.636 -22.117 1.00 12.35 H new ATOM 0 HG22 ILE A 23 -12.538 -13.339 -23.735 1.00 12.35 H new ATOM 0 HG23 ILE A 23 -12.764 -11.985 -22.602 1.00 12.35 H new ATOM 0 HD11 ILE A 23 -16.822 -12.862 -20.846 1.00 11.44 H new ATOM 0 HD12 ILE A 23 -16.771 -13.919 -22.277 1.00 11.44 H new ATOM 0 HD13 ILE A 23 -15.413 -13.913 -21.126 1.00 11.44 H new ATOM 379 N LYS A 24 -13.981 -13.022 -26.642 1.00 12.32 N ATOM 380 CA LYS A 24 -13.113 -13.555 -27.685 1.00 23.05 C ATOM 381 C LYS A 24 -12.537 -12.431 -28.540 1.00 63.42 C ATOM 382 O LYS A 24 -11.364 -12.460 -28.914 1.00 70.43 O ATOM 383 CB LYS A 24 -13.885 -14.538 -28.567 1.00 54.22 C ATOM 384 CG LYS A 24 -13.964 -15.941 -27.991 1.00 13.24 C ATOM 385 CD LYS A 24 -14.861 -16.838 -28.827 1.00 64.05 C ATOM 386 CE LYS A 24 -14.099 -17.462 -29.986 1.00 64.24 C ATOM 387 NZ LYS A 24 -14.685 -18.768 -30.397 1.00 30.03 N ATOM 0 H LYS A 24 -14.951 -13.331 -26.703 1.00 12.32 H new ATOM 0 HA LYS A 24 -12.288 -14.080 -27.203 1.00 23.05 H new ATOM 0 HB2 LYS A 24 -14.896 -14.160 -28.719 1.00 54.22 H new ATOM 0 HB3 LYS A 24 -13.411 -14.583 -29.547 1.00 54.22 H new ATOM 0 HG2 LYS A 24 -12.964 -16.371 -27.940 1.00 13.24 H new ATOM 0 HG3 LYS A 24 -14.344 -15.895 -26.970 1.00 13.24 H new ATOM 0 HD2 LYS A 24 -15.278 -17.625 -28.199 1.00 64.05 H new ATOM 0 HD3 LYS A 24 -15.700 -16.259 -29.212 1.00 64.05 H new ATOM 0 HE2 LYS A 24 -14.105 -16.778 -30.835 1.00 64.24 H new ATOM 0 HE3 LYS A 24 -13.057 -17.606 -29.700 1.00 64.24 H new ATOM 0 HZ1 LYS A 24 -14.137 -19.160 -31.189 1.00 30.03 H new ATOM 0 HZ2 LYS A 24 -14.656 -19.429 -29.595 1.00 30.03 H new ATOM 0 HZ3 LYS A 24 -15.672 -18.628 -30.694 1.00 30.03 H new ATOM 401 N LYS A 25 -13.368 -11.441 -28.846 1.00 71.10 N ATOM 402 CA LYS A 25 -12.941 -10.306 -29.655 1.00 55.42 C ATOM 403 C LYS A 25 -12.006 -9.396 -28.865 1.00 52.55 C ATOM 404 O LYS A 25 -10.946 -9.006 -29.354 1.00 22.05 O ATOM 405 CB LYS A 25 -14.157 -9.511 -30.137 1.00 14.23 C ATOM 406 CG LYS A 25 -14.906 -10.176 -31.279 1.00 22.34 C ATOM 407 CD LYS A 25 -16.312 -9.619 -31.423 1.00 71.32 C ATOM 408 CE LYS A 25 -16.332 -8.378 -32.303 1.00 34.45 C ATOM 409 NZ LYS A 25 -17.721 -7.920 -32.583 1.00 13.01 N ATOM 0 H LYS A 25 -14.342 -11.402 -28.546 1.00 71.10 H new ATOM 0 HA LYS A 25 -12.400 -10.691 -30.520 1.00 55.42 H new ATOM 0 HB2 LYS A 25 -14.841 -9.367 -29.301 1.00 14.23 H new ATOM 0 HB3 LYS A 25 -13.830 -8.521 -30.456 1.00 14.23 H new ATOM 0 HG2 LYS A 25 -14.358 -10.028 -32.210 1.00 22.34 H new ATOM 0 HG3 LYS A 25 -14.956 -11.251 -31.106 1.00 22.34 H new ATOM 0 HD2 LYS A 25 -16.964 -10.380 -31.851 1.00 71.32 H new ATOM 0 HD3 LYS A 25 -16.710 -9.375 -30.438 1.00 71.32 H new ATOM 0 HE2 LYS A 25 -15.777 -7.577 -31.814 1.00 34.45 H new ATOM 0 HE3 LYS A 25 -15.823 -8.591 -33.243 1.00 34.45 H new ATOM 0 HZ1 LYS A 25 -17.692 -7.073 -33.185 1.00 13.01 H new ATOM 0 HZ2 LYS A 25 -18.243 -8.675 -33.072 1.00 13.01 H new ATOM 0 HZ3 LYS A 25 -18.199 -7.692 -31.688 1.00 13.01 H new ATOM 423 N ALA A 26 -12.406 -9.062 -27.643 1.00 2.42 N ATOM 424 CA ALA A 26 -11.601 -8.201 -26.785 1.00 14.43 C ATOM 425 C ALA A 26 -10.260 -8.849 -26.458 1.00 74.14 C ATOM 426 O ALA A 26 -9.258 -8.161 -26.265 1.00 62.13 O ATOM 427 CB ALA A 26 -12.358 -7.876 -25.505 1.00 41.42 C ATOM 0 H ALA A 26 -13.282 -9.374 -27.225 1.00 2.42 H new ATOM 0 HA ALA A 26 -11.405 -7.274 -27.324 1.00 14.43 H new ATOM 0 HB1 ALA A 26 -11.745 -7.232 -24.873 1.00 41.42 H new ATOM 0 HB2 ALA A 26 -13.288 -7.363 -25.752 1.00 41.42 H new ATOM 0 HB3 ALA A 26 -12.584 -8.799 -24.971 1.00 41.42 H new ATOM 433 N TYR A 27 -10.250 -10.176 -26.398 1.00 4.02 N ATOM 434 CA TYR A 27 -9.032 -10.917 -26.092 1.00 21.24 C ATOM 435 C TYR A 27 -8.065 -10.888 -27.271 1.00 41.33 C ATOM 436 O TYR A 27 -6.848 -10.851 -27.090 1.00 64.12 O ATOM 437 CB TYR A 27 -9.368 -12.365 -25.730 1.00 13.24 C ATOM 438 CG TYR A 27 -8.153 -13.255 -25.603 1.00 70.40 C ATOM 439 CD1 TYR A 27 -7.079 -12.888 -24.802 1.00 45.34 C ATOM 440 CD2 TYR A 27 -8.079 -14.464 -26.285 1.00 4.25 C ATOM 441 CE1 TYR A 27 -5.966 -13.698 -24.684 1.00 43.31 C ATOM 442 CE2 TYR A 27 -6.971 -15.281 -26.171 1.00 44.20 C ATOM 443 CZ TYR A 27 -5.917 -14.893 -25.370 1.00 23.41 C ATOM 444 OH TYR A 27 -4.810 -15.704 -25.255 1.00 55.24 O ATOM 0 H TYR A 27 -11.071 -10.760 -26.557 1.00 4.02 H new ATOM 0 HA TYR A 27 -8.551 -10.438 -25.239 1.00 21.24 H new ATOM 0 HB2 TYR A 27 -9.917 -12.377 -24.788 1.00 13.24 H new ATOM 0 HB3 TYR A 27 -10.031 -12.776 -26.491 1.00 13.24 H new ATOM 0 HD1 TYR A 27 -7.115 -11.953 -24.262 1.00 45.34 H new ATOM 0 HD2 TYR A 27 -8.902 -14.770 -26.915 1.00 4.25 H new ATOM 0 HE1 TYR A 27 -5.139 -13.397 -24.058 1.00 43.31 H new ATOM 0 HE2 TYR A 27 -6.930 -16.218 -26.706 1.00 44.20 H new ATOM 0 HH TYR A 27 -4.936 -16.508 -25.801 1.00 55.24 H new ATOM 454 N TYR A 28 -8.616 -10.903 -28.480 1.00 31.33 N ATOM 455 CA TYR A 28 -7.804 -10.880 -29.691 1.00 20.25 C ATOM 456 C TYR A 28 -7.238 -9.486 -29.940 1.00 42.32 C ATOM 457 O TYR A 28 -6.047 -9.327 -30.209 1.00 75.04 O ATOM 458 CB TYR A 28 -8.633 -11.329 -30.895 1.00 34.13 C ATOM 459 CG TYR A 28 -7.887 -11.252 -32.207 1.00 43.42 C ATOM 460 CD1 TYR A 28 -8.363 -10.475 -33.256 1.00 14.33 C ATOM 461 CD2 TYR A 28 -6.703 -11.955 -32.398 1.00 54.41 C ATOM 462 CE1 TYR A 28 -7.685 -10.402 -34.457 1.00 3.34 C ATOM 463 CE2 TYR A 28 -6.017 -11.886 -33.595 1.00 72.32 C ATOM 464 CZ TYR A 28 -6.512 -11.109 -34.621 1.00 71.05 C ATOM 465 OH TYR A 28 -5.832 -11.038 -35.816 1.00 13.32 O ATOM 0 H TYR A 28 -9.622 -10.931 -28.647 1.00 31.33 H new ATOM 0 HA TYR A 28 -6.972 -11.571 -29.554 1.00 20.25 H new ATOM 0 HB2 TYR A 28 -8.964 -12.355 -30.735 1.00 34.13 H new ATOM 0 HB3 TYR A 28 -9.529 -10.711 -30.959 1.00 34.13 H new ATOM 0 HD1 TYR A 28 -9.280 -9.918 -33.130 1.00 14.33 H new ATOM 0 HD2 TYR A 28 -6.313 -12.565 -31.597 1.00 54.41 H new ATOM 0 HE1 TYR A 28 -8.071 -9.795 -35.263 1.00 3.34 H new ATOM 0 HE2 TYR A 28 -5.098 -12.438 -33.727 1.00 72.32 H new ATOM 0 HH TYR A 28 -5.026 -11.593 -35.767 1.00 13.32 H new ATOM 475 N GLN A 29 -8.100 -8.479 -29.848 1.00 14.21 N ATOM 476 CA GLN A 29 -7.687 -7.097 -30.064 1.00 20.23 C ATOM 477 C GLN A 29 -6.601 -6.693 -29.072 1.00 42.14 C ATOM 478 O GLN A 29 -5.705 -5.913 -29.400 1.00 73.23 O ATOM 479 CB GLN A 29 -8.887 -6.158 -29.935 1.00 11.51 C ATOM 480 CG GLN A 29 -9.320 -5.917 -28.498 1.00 30.24 C ATOM 481 CD GLN A 29 -10.465 -4.929 -28.390 1.00 61.24 C ATOM 482 OE1 GLN A 29 -10.312 -3.843 -27.832 1.00 12.35 O ATOM 483 NE2 GLN A 29 -11.621 -5.302 -28.927 1.00 41.22 N ATOM 0 H GLN A 29 -9.089 -8.594 -29.625 1.00 14.21 H new ATOM 0 HA GLN A 29 -7.280 -7.019 -31.072 1.00 20.23 H new ATOM 0 HB2 GLN A 29 -8.641 -5.202 -30.397 1.00 11.51 H new ATOM 0 HB3 GLN A 29 -9.725 -6.575 -30.493 1.00 11.51 H new ATOM 0 HG2 GLN A 29 -9.619 -6.864 -28.049 1.00 30.24 H new ATOM 0 HG3 GLN A 29 -8.471 -5.547 -27.924 1.00 30.24 H new ATOM 0 HE21 GLN A 29 -11.703 -6.212 -29.380 1.00 41.22 H new ATOM 0 HE22 GLN A 29 -12.427 -4.678 -28.886 1.00 41.22 H new ATOM 492 N LEU A 30 -6.686 -7.227 -27.859 1.00 42.01 N ATOM 493 CA LEU A 30 -5.710 -6.922 -26.819 1.00 1.44 C ATOM 494 C LEU A 30 -4.377 -7.606 -27.105 1.00 1.24 C ATOM 495 O LEU A 30 -3.313 -7.012 -26.929 1.00 72.52 O ATOM 496 CB LEU A 30 -6.238 -7.360 -25.452 1.00 13.03 C ATOM 497 CG LEU A 30 -6.598 -6.236 -24.479 1.00 72.13 C ATOM 498 CD1 LEU A 30 -7.511 -5.222 -25.150 1.00 54.12 C ATOM 499 CD2 LEU A 30 -7.255 -6.803 -23.229 1.00 2.31 C ATOM 0 H LEU A 30 -7.421 -7.873 -27.571 1.00 42.01 H new ATOM 0 HA LEU A 30 -5.550 -5.844 -26.811 1.00 1.44 H new ATOM 0 HB2 LEU A 30 -7.124 -7.976 -25.607 1.00 13.03 H new ATOM 0 HB3 LEU A 30 -5.487 -7.994 -24.981 1.00 13.03 H new ATOM 0 HG LEU A 30 -5.680 -5.728 -24.184 1.00 72.13 H new ATOM 0 HD11 LEU A 30 -7.757 -4.430 -24.443 1.00 54.12 H new ATOM 0 HD12 LEU A 30 -7.005 -4.793 -26.015 1.00 54.12 H new ATOM 0 HD13 LEU A 30 -8.427 -5.716 -25.474 1.00 54.12 H new ATOM 0 HD21 LEU A 30 -7.504 -5.989 -22.548 1.00 2.31 H new ATOM 0 HD22 LEU A 30 -8.165 -7.336 -23.506 1.00 2.31 H new ATOM 0 HD23 LEU A 30 -6.567 -7.490 -22.736 1.00 2.31 H new ATOM 511 N ALA A 31 -4.443 -8.857 -27.548 1.00 10.02 N ATOM 512 CA ALA A 31 -3.242 -9.620 -27.862 1.00 62.43 C ATOM 513 C ALA A 31 -2.400 -8.909 -28.916 1.00 24.30 C ATOM 514 O ALA A 31 -1.171 -8.900 -28.841 1.00 3.41 O ATOM 515 CB ALA A 31 -3.614 -11.018 -28.336 1.00 5.20 C ATOM 0 H ALA A 31 -5.316 -9.363 -27.697 1.00 10.02 H new ATOM 0 HA ALA A 31 -2.646 -9.703 -26.953 1.00 62.43 H new ATOM 0 HB1 ALA A 31 -2.707 -11.577 -28.567 1.00 5.20 H new ATOM 0 HB2 ALA A 31 -4.168 -11.533 -27.551 1.00 5.20 H new ATOM 0 HB3 ALA A 31 -4.234 -10.946 -29.230 1.00 5.20 H new ATOM 521 N LYS A 32 -3.068 -8.315 -29.899 1.00 1.14 N ATOM 522 CA LYS A 32 -2.382 -7.600 -30.968 1.00 63.33 C ATOM 523 C LYS A 32 -1.587 -6.422 -30.413 1.00 73.33 C ATOM 524 O LYS A 32 -0.639 -5.949 -31.040 1.00 20.11 O ATOM 525 CB LYS A 32 -3.390 -7.105 -32.007 1.00 51.33 C ATOM 526 CG LYS A 32 -3.969 -8.213 -32.870 1.00 12.14 C ATOM 527 CD LYS A 32 -5.410 -7.924 -33.255 1.00 73.12 C ATOM 528 CE LYS A 32 -5.528 -6.626 -34.040 1.00 31.35 C ATOM 529 NZ LYS A 32 -6.729 -6.617 -34.919 1.00 75.04 N ATOM 0 H LYS A 32 -4.085 -8.315 -29.977 1.00 1.14 H new ATOM 0 HA LYS A 32 -1.687 -8.291 -31.445 1.00 63.33 H new ATOM 0 HB2 LYS A 32 -4.204 -6.592 -31.495 1.00 51.33 H new ATOM 0 HB3 LYS A 32 -2.905 -6.371 -32.650 1.00 51.33 H new ATOM 0 HG2 LYS A 32 -3.366 -8.326 -33.771 1.00 12.14 H new ATOM 0 HG3 LYS A 32 -3.918 -9.159 -32.331 1.00 12.14 H new ATOM 0 HD2 LYS A 32 -5.800 -8.748 -33.852 1.00 73.12 H new ATOM 0 HD3 LYS A 32 -6.023 -7.863 -32.356 1.00 73.12 H new ATOM 0 HE2 LYS A 32 -5.579 -5.786 -33.347 1.00 31.35 H new ATOM 0 HE3 LYS A 32 -4.633 -6.486 -34.646 1.00 31.35 H new ATOM 0 HZ1 LYS A 32 -6.774 -5.716 -35.437 1.00 75.04 H new ATOM 0 HZ2 LYS A 32 -6.669 -7.403 -35.597 1.00 75.04 H new ATOM 0 HZ3 LYS A 32 -7.585 -6.725 -34.338 1.00 75.04 H new ATOM 543 N LYS A 33 -1.979 -5.954 -29.233 1.00 52.34 N ATOM 544 CA LYS A 33 -1.303 -4.833 -28.592 1.00 4.24 C ATOM 545 C LYS A 33 -0.007 -5.288 -27.926 1.00 55.35 C ATOM 546 O LYS A 33 0.985 -4.560 -27.916 1.00 44.33 O ATOM 547 CB LYS A 33 -2.220 -4.183 -27.554 1.00 14.12 C ATOM 548 CG LYS A 33 -3.642 -3.972 -28.046 1.00 43.52 C ATOM 549 CD LYS A 33 -4.364 -2.914 -27.228 1.00 43.24 C ATOM 550 CE LYS A 33 -4.252 -1.540 -27.871 1.00 52.13 C ATOM 551 NZ LYS A 33 -4.294 -0.449 -26.859 1.00 15.31 N ATOM 0 H LYS A 33 -2.762 -6.334 -28.701 1.00 52.34 H new ATOM 0 HA LYS A 33 -1.059 -4.101 -29.362 1.00 4.24 H new ATOM 0 HB2 LYS A 33 -2.242 -4.806 -26.660 1.00 14.12 H new ATOM 0 HB3 LYS A 33 -1.799 -3.221 -27.261 1.00 14.12 H new ATOM 0 HG2 LYS A 33 -3.625 -3.674 -29.094 1.00 43.52 H new ATOM 0 HG3 LYS A 33 -4.190 -4.912 -27.991 1.00 43.52 H new ATOM 0 HD2 LYS A 33 -5.415 -3.185 -27.127 1.00 43.24 H new ATOM 0 HD3 LYS A 33 -3.945 -2.882 -26.222 1.00 43.24 H new ATOM 0 HE2 LYS A 33 -3.321 -1.477 -28.434 1.00 52.13 H new ATOM 0 HE3 LYS A 33 -5.065 -1.405 -28.584 1.00 52.13 H new ATOM 0 HZ1 LYS A 33 -4.215 0.471 -27.337 1.00 15.31 H new ATOM 0 HZ2 LYS A 33 -5.193 -0.493 -26.339 1.00 15.31 H new ATOM 0 HZ3 LYS A 33 -3.503 -0.562 -26.193 1.00 15.31 H new ATOM 786 N LYS A 48 3.137 -9.050 -20.043 1.00 45.41 N ATOM 787 CA LYS A 48 1.770 -8.549 -19.971 1.00 31.01 C ATOM 788 C LYS A 48 0.844 -9.363 -20.869 1.00 63.32 C ATOM 789 O LYS A 48 -0.324 -9.574 -20.545 1.00 34.23 O ATOM 790 CB LYS A 48 1.723 -7.074 -20.376 1.00 11.14 C ATOM 791 CG LYS A 48 2.693 -6.199 -19.601 1.00 23.44 C ATOM 792 CD LYS A 48 2.364 -6.180 -18.117 1.00 65.42 C ATOM 793 CE LYS A 48 3.359 -5.334 -17.337 1.00 32.53 C ATOM 794 NZ LYS A 48 3.452 -5.760 -15.913 1.00 32.52 N ATOM 0 HA LYS A 48 1.428 -8.648 -18.941 1.00 31.01 H new ATOM 0 HB2 LYS A 48 1.943 -6.991 -21.440 1.00 11.14 H new ATOM 0 HB3 LYS A 48 0.711 -6.698 -20.229 1.00 11.14 H new ATOM 0 HG2 LYS A 48 3.709 -6.566 -19.745 1.00 23.44 H new ATOM 0 HG3 LYS A 48 2.662 -5.183 -19.994 1.00 23.44 H new ATOM 0 HD2 LYS A 48 1.358 -5.787 -17.971 1.00 65.42 H new ATOM 0 HD3 LYS A 48 2.368 -7.199 -17.729 1.00 65.42 H new ATOM 0 HE2 LYS A 48 4.342 -5.407 -17.803 1.00 32.53 H new ATOM 0 HE3 LYS A 48 3.061 -4.287 -17.384 1.00 32.53 H new ATOM 0 HZ1 LYS A 48 4.140 -5.160 -15.415 1.00 32.52 H new ATOM 0 HZ2 LYS A 48 2.520 -5.666 -15.461 1.00 32.52 H new ATOM 0 HZ3 LYS A 48 3.761 -6.752 -15.867 1.00 32.52 H new ATOM 808 N PHE A 49 1.375 -9.820 -21.999 1.00 13.30 N ATOM 809 CA PHE A 49 0.596 -10.612 -22.944 1.00 11.51 C ATOM 810 C PHE A 49 0.113 -11.907 -22.299 1.00 75.20 C ATOM 811 O PHE A 49 -0.968 -12.405 -22.615 1.00 61.22 O ATOM 812 CB PHE A 49 1.431 -10.928 -24.187 1.00 14.43 C ATOM 813 CG PHE A 49 0.771 -11.903 -25.119 1.00 64.04 C ATOM 814 CD1 PHE A 49 -0.028 -11.456 -26.159 1.00 15.24 C ATOM 815 CD2 PHE A 49 0.951 -13.267 -24.957 1.00 21.25 C ATOM 816 CE1 PHE A 49 -0.636 -12.351 -27.019 1.00 53.30 C ATOM 817 CE2 PHE A 49 0.346 -14.167 -25.814 1.00 3.31 C ATOM 818 CZ PHE A 49 -0.449 -13.708 -26.846 1.00 34.14 C ATOM 0 H PHE A 49 2.341 -9.655 -22.282 1.00 13.30 H new ATOM 0 HA PHE A 49 -0.275 -10.027 -23.239 1.00 11.51 H new ATOM 0 HB2 PHE A 49 1.632 -10.002 -24.725 1.00 14.43 H new ATOM 0 HB3 PHE A 49 2.395 -11.331 -23.875 1.00 14.43 H new ATOM 0 HD1 PHE A 49 -0.177 -10.396 -26.299 1.00 15.24 H new ATOM 0 HD2 PHE A 49 1.571 -13.631 -24.152 1.00 21.25 H new ATOM 0 HE1 PHE A 49 -1.257 -11.989 -27.825 1.00 53.30 H new ATOM 0 HE2 PHE A 49 0.495 -15.228 -25.677 1.00 3.31 H new ATOM 0 HZ PHE A 49 -0.923 -14.409 -27.516 1.00 34.14 H new ATOM 828 N SER A 50 0.921 -12.448 -21.394 1.00 24.24 N ATOM 829 CA SER A 50 0.579 -13.688 -20.707 1.00 24.23 C ATOM 830 C SER A 50 -0.664 -13.505 -19.841 1.00 43.14 C ATOM 831 O SER A 50 -1.459 -14.429 -19.677 1.00 31.45 O ATOM 832 CB SER A 50 1.752 -14.157 -19.843 1.00 35.44 C ATOM 833 OG SER A 50 1.610 -15.522 -19.488 1.00 74.13 O ATOM 0 H SER A 50 1.818 -12.047 -21.119 1.00 24.24 H new ATOM 0 HA SER A 50 0.366 -14.446 -21.461 1.00 24.23 H new ATOM 0 HB2 SER A 50 2.687 -14.014 -20.385 1.00 35.44 H new ATOM 0 HB3 SER A 50 1.810 -13.548 -18.941 1.00 35.44 H new ATOM 0 HG SER A 50 2.372 -15.798 -18.938 1.00 74.13 H new ATOM 839 N GLN A 51 -0.823 -12.305 -19.292 1.00 23.33 N ATOM 840 CA GLN A 51 -1.968 -12.000 -18.443 1.00 31.44 C ATOM 841 C GLN A 51 -3.268 -12.066 -19.238 1.00 1.52 C ATOM 842 O GLN A 51 -4.322 -12.407 -18.699 1.00 4.33 O ATOM 843 CB GLN A 51 -1.810 -10.615 -17.814 1.00 44.24 C ATOM 844 CG GLN A 51 -0.591 -10.491 -16.915 1.00 4.53 C ATOM 845 CD GLN A 51 -0.509 -11.600 -15.885 1.00 75.53 C ATOM 846 OE1 GLN A 51 0.263 -12.547 -16.036 1.00 24.23 O ATOM 847 NE2 GLN A 51 -1.309 -11.490 -14.831 1.00 0.12 N ATOM 0 H GLN A 51 -0.174 -11.529 -19.420 1.00 23.33 H new ATOM 0 HA GLN A 51 -2.010 -12.747 -17.651 1.00 31.44 H new ATOM 0 HB2 GLN A 51 -1.743 -9.870 -18.607 1.00 44.24 H new ATOM 0 HB3 GLN A 51 -2.704 -10.384 -17.234 1.00 44.24 H new ATOM 0 HG2 GLN A 51 0.310 -10.503 -17.528 1.00 4.53 H new ATOM 0 HG3 GLN A 51 -0.617 -9.528 -16.405 1.00 4.53 H new ATOM 0 HE21 GLN A 51 -1.933 -10.688 -14.746 1.00 0.12 H new ATOM 0 HE22 GLN A 51 -1.299 -12.208 -14.106 1.00 0.12 H new ATOM 856 N LEU A 52 -3.187 -11.736 -20.522 1.00 62.02 N ATOM 857 CA LEU A 52 -4.357 -11.757 -21.393 1.00 12.43 C ATOM 858 C LEU A 52 -4.936 -13.164 -21.494 1.00 62.30 C ATOM 859 O LEU A 52 -6.130 -13.372 -21.283 1.00 53.21 O ATOM 860 CB LEU A 52 -3.990 -11.242 -22.786 1.00 33.32 C ATOM 861 CG LEU A 52 -3.321 -9.869 -22.839 1.00 44.32 C ATOM 862 CD1 LEU A 52 -2.651 -9.653 -24.188 1.00 22.45 C ATOM 863 CD2 LEU A 52 -4.336 -8.769 -22.565 1.00 31.25 C ATOM 0 H LEU A 52 -2.323 -11.451 -20.983 1.00 62.02 H new ATOM 0 HA LEU A 52 -5.114 -11.104 -20.959 1.00 12.43 H new ATOM 0 HB2 LEU A 52 -3.325 -11.966 -23.256 1.00 33.32 H new ATOM 0 HB3 LEU A 52 -4.898 -11.205 -23.389 1.00 33.32 H new ATOM 0 HG LEU A 52 -2.555 -9.830 -22.065 1.00 44.32 H new ATOM 0 HD11 LEU A 52 -2.180 -8.670 -24.207 1.00 22.45 H new ATOM 0 HD12 LEU A 52 -1.894 -10.421 -24.345 1.00 22.45 H new ATOM 0 HD13 LEU A 52 -3.398 -9.713 -24.979 1.00 22.45 H new ATOM 0 HD21 LEU A 52 -3.841 -7.799 -22.607 1.00 31.25 H new ATOM 0 HD22 LEU A 52 -5.125 -8.807 -23.316 1.00 31.25 H new ATOM 0 HD23 LEU A 52 -4.770 -8.913 -21.575 1.00 31.25 H new ATOM 875 N ALA A 53 -4.080 -14.129 -21.816 1.00 42.52 N ATOM 876 CA ALA A 53 -4.505 -15.517 -21.941 1.00 21.20 C ATOM 877 C ALA A 53 -4.937 -16.083 -20.592 1.00 44.51 C ATOM 878 O ALA A 53 -5.866 -16.885 -20.515 1.00 14.24 O ATOM 879 CB ALA A 53 -3.386 -16.360 -22.535 1.00 74.22 C ATOM 0 H ALA A 53 -3.088 -13.974 -21.995 1.00 42.52 H new ATOM 0 HA ALA A 53 -5.364 -15.549 -22.611 1.00 21.20 H new ATOM 0 HB1 ALA A 53 -3.717 -17.395 -22.623 1.00 74.22 H new ATOM 0 HB2 ALA A 53 -3.127 -15.977 -23.522 1.00 74.22 H new ATOM 0 HB3 ALA A 53 -2.511 -16.313 -21.886 1.00 74.22 H new ATOM 885 N GLU A 54 -4.255 -15.659 -19.532 1.00 64.15 N ATOM 886 CA GLU A 54 -4.568 -16.126 -18.187 1.00 0.51 C ATOM 887 C GLU A 54 -5.988 -15.730 -17.791 1.00 24.12 C ATOM 888 O GLU A 54 -6.771 -16.563 -17.336 1.00 11.21 O ATOM 889 CB GLU A 54 -3.568 -15.555 -17.179 1.00 41.44 C ATOM 890 CG GLU A 54 -2.261 -16.327 -17.115 1.00 2.30 C ATOM 891 CD GLU A 54 -2.466 -17.795 -16.798 1.00 22.31 C ATOM 892 OE1 GLU A 54 -3.556 -18.149 -16.303 1.00 20.52 O ATOM 893 OE2 GLU A 54 -1.535 -18.590 -17.046 1.00 31.53 O ATOM 0 H GLU A 54 -3.483 -14.994 -19.579 1.00 64.15 H new ATOM 0 HA GLU A 54 -4.497 -17.214 -18.182 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -3.355 -14.518 -17.438 1.00 41.44 H new ATOM 0 HB3 GLU A 54 -4.025 -15.549 -16.190 1.00 41.44 H new ATOM 0 HG2 GLU A 54 -1.741 -16.234 -18.069 1.00 2.30 H new ATOM 0 HG3 GLU A 54 -1.617 -15.882 -16.357 1.00 2.30 H new ATOM 900 N ALA A 55 -6.311 -14.453 -17.967 1.00 23.00 N ATOM 901 CA ALA A 55 -7.635 -13.947 -17.630 1.00 13.32 C ATOM 902 C ALA A 55 -8.682 -14.443 -18.622 1.00 23.12 C ATOM 903 O ALA A 55 -9.773 -14.858 -18.232 1.00 14.02 O ATOM 904 CB ALA A 55 -7.624 -12.426 -17.588 1.00 51.24 C ATOM 0 H ALA A 55 -5.673 -13.750 -18.341 1.00 23.00 H new ATOM 0 HA ALA A 55 -7.900 -14.325 -16.643 1.00 13.32 H new ATOM 0 HB1 ALA A 55 -8.620 -12.062 -17.335 1.00 51.24 H new ATOM 0 HB2 ALA A 55 -6.912 -12.088 -16.835 1.00 51.24 H new ATOM 0 HB3 ALA A 55 -7.332 -12.037 -18.564 1.00 51.24 H new ATOM 910 N TYR A 56 -8.342 -14.397 -19.905 1.00 70.11 N ATOM 911 CA TYR A 56 -9.254 -14.839 -20.953 1.00 61.44 C ATOM 912 C TYR A 56 -9.667 -16.292 -20.738 1.00 74.15 C ATOM 913 O TYR A 56 -10.758 -16.703 -21.133 1.00 13.42 O ATOM 914 CB TYR A 56 -8.600 -14.681 -22.327 1.00 71.52 C ATOM 915 CG TYR A 56 -9.316 -15.430 -23.428 1.00 74.33 C ATOM 916 CD1 TYR A 56 -10.427 -14.884 -24.058 1.00 54.34 C ATOM 917 CD2 TYR A 56 -8.881 -16.684 -23.839 1.00 70.23 C ATOM 918 CE1 TYR A 56 -11.085 -15.565 -25.064 1.00 52.22 C ATOM 919 CE2 TYR A 56 -9.532 -17.372 -24.845 1.00 43.14 C ATOM 920 CZ TYR A 56 -10.633 -16.808 -25.454 1.00 75.33 C ATOM 921 OH TYR A 56 -11.285 -17.489 -26.457 1.00 31.30 O ATOM 0 H TYR A 56 -7.442 -14.058 -20.244 1.00 70.11 H new ATOM 0 HA TYR A 56 -10.147 -14.216 -20.909 1.00 61.44 H new ATOM 0 HB2 TYR A 56 -8.564 -13.622 -22.583 1.00 71.52 H new ATOM 0 HB3 TYR A 56 -7.569 -15.031 -22.272 1.00 71.52 H new ATOM 0 HD1 TYR A 56 -10.783 -13.910 -23.756 1.00 54.34 H new ATOM 0 HD2 TYR A 56 -8.019 -17.129 -23.364 1.00 70.23 H new ATOM 0 HE1 TYR A 56 -11.948 -15.126 -25.542 1.00 52.22 H new ATOM 0 HE2 TYR A 56 -9.181 -18.346 -25.153 1.00 43.14 H new ATOM 0 HH TYR A 56 -10.840 -18.348 -26.612 1.00 31.30 H new ATOM 931 N GLU A 57 -8.787 -17.064 -20.110 1.00 21.45 N ATOM 932 CA GLU A 57 -9.060 -18.472 -19.842 1.00 0.41 C ATOM 933 C GLU A 57 -10.282 -18.627 -18.942 1.00 12.05 C ATOM 934 O GLU A 57 -11.134 -19.485 -19.174 1.00 63.13 O ATOM 935 CB GLU A 57 -7.845 -19.135 -19.190 1.00 0.21 C ATOM 936 CG GLU A 57 -6.878 -19.749 -20.188 1.00 73.52 C ATOM 937 CD GLU A 57 -7.301 -21.137 -20.631 1.00 51.45 C ATOM 938 OE1 GLU A 57 -6.862 -22.120 -19.999 1.00 74.20 O ATOM 939 OE2 GLU A 57 -8.070 -21.239 -21.610 1.00 42.21 O ATOM 0 H GLU A 57 -7.879 -16.739 -19.777 1.00 21.45 H new ATOM 0 HA GLU A 57 -9.266 -18.963 -20.793 1.00 0.41 H new ATOM 0 HB2 GLU A 57 -7.315 -18.394 -18.592 1.00 0.21 H new ATOM 0 HB3 GLU A 57 -8.189 -19.911 -18.505 1.00 0.21 H new ATOM 0 HG2 GLU A 57 -6.802 -19.100 -21.061 1.00 73.52 H new ATOM 0 HG3 GLU A 57 -5.885 -19.801 -19.742 1.00 73.52 H new ATOM 946 N VAL A 58 -10.361 -17.791 -17.911 1.00 52.43 N ATOM 947 CA VAL A 58 -11.478 -17.834 -16.976 1.00 14.35 C ATOM 948 C VAL A 58 -12.739 -17.244 -17.597 1.00 73.15 C ATOM 949 O VAL A 58 -13.829 -17.805 -17.470 1.00 4.34 O ATOM 950 CB VAL A 58 -11.154 -17.070 -15.678 1.00 44.11 C ATOM 951 CG1 VAL A 58 -12.304 -17.183 -14.690 1.00 11.25 C ATOM 952 CG2 VAL A 58 -9.861 -17.587 -15.065 1.00 43.35 C ATOM 0 H VAL A 58 -9.664 -17.076 -17.703 1.00 52.43 H new ATOM 0 HA VAL A 58 -11.650 -18.884 -16.738 1.00 14.35 H new ATOM 0 HB VAL A 58 -11.019 -16.016 -15.921 1.00 44.11 H new ATOM 0 HG11 VAL A 58 -12.056 -16.637 -13.780 1.00 11.25 H new ATOM 0 HG12 VAL A 58 -13.206 -16.761 -15.132 1.00 11.25 H new ATOM 0 HG13 VAL A 58 -12.475 -18.232 -14.449 1.00 11.25 H new ATOM 0 HG21 VAL A 58 -9.647 -17.036 -14.149 1.00 43.35 H new ATOM 0 HG22 VAL A 58 -9.966 -18.647 -14.835 1.00 43.35 H new ATOM 0 HG23 VAL A 58 -9.042 -17.448 -15.771 1.00 43.35 H new ATOM 962 N LEU A 59 -12.585 -16.110 -18.272 1.00 2.03 N ATOM 963 CA LEU A 59 -13.711 -15.443 -18.915 1.00 73.03 C ATOM 964 C LEU A 59 -14.153 -16.202 -20.162 1.00 53.14 C ATOM 965 O LEU A 59 -15.182 -15.887 -20.761 1.00 44.22 O ATOM 966 CB LEU A 59 -13.336 -14.007 -19.285 1.00 2.13 C ATOM 967 CG LEU A 59 -13.778 -12.923 -18.301 1.00 22.34 C ATOM 968 CD1 LEU A 59 -13.329 -13.269 -16.889 1.00 45.53 C ATOM 969 CD2 LEU A 59 -13.230 -11.567 -18.720 1.00 13.33 C ATOM 0 H LEU A 59 -11.691 -15.633 -18.388 1.00 2.03 H new ATOM 0 HA LEU A 59 -14.541 -15.424 -18.209 1.00 73.03 H new ATOM 0 HB2 LEU A 59 -12.253 -13.952 -19.393 1.00 2.13 H new ATOM 0 HB3 LEU A 59 -13.765 -13.781 -20.261 1.00 2.13 H new ATOM 0 HG LEU A 59 -14.867 -12.871 -18.312 1.00 22.34 H new ATOM 0 HD11 LEU A 59 -13.652 -12.487 -16.202 1.00 45.53 H new ATOM 0 HD12 LEU A 59 -13.770 -14.220 -16.590 1.00 45.53 H new ATOM 0 HD13 LEU A 59 -12.242 -13.349 -16.862 1.00 45.53 H new ATOM 0 HD21 LEU A 59 -13.555 -10.808 -18.008 1.00 13.33 H new ATOM 0 HD22 LEU A 59 -12.141 -11.605 -18.739 1.00 13.33 H new ATOM 0 HD23 LEU A 59 -13.602 -11.316 -19.713 1.00 13.33 H new ATOM 981 N SER A 60 -13.370 -17.205 -20.547 1.00 53.22 N ATOM 982 CA SER A 60 -13.680 -18.008 -21.724 1.00 70.30 C ATOM 983 C SER A 60 -14.849 -18.949 -21.447 1.00 62.03 C ATOM 984 O SER A 60 -15.426 -19.527 -22.368 1.00 55.33 O ATOM 985 CB SER A 60 -12.453 -18.814 -22.155 1.00 20.12 C ATOM 986 OG SER A 60 -12.808 -19.829 -23.079 1.00 4.55 O ATOM 0 H SER A 60 -12.517 -17.481 -20.061 1.00 53.22 H new ATOM 0 HA SER A 60 -13.964 -17.332 -22.531 1.00 70.30 H new ATOM 0 HB2 SER A 60 -11.717 -18.149 -22.606 1.00 20.12 H new ATOM 0 HB3 SER A 60 -11.983 -19.263 -21.280 1.00 20.12 H new ATOM 0 HG SER A 60 -13.783 -19.859 -23.174 1.00 4.55 H new ATOM 992 N ASP A 61 -15.191 -19.097 -20.172 1.00 73.54 N ATOM 993 CA ASP A 61 -16.292 -19.967 -19.773 1.00 4.05 C ATOM 994 C ASP A 61 -17.137 -19.309 -18.687 1.00 13.22 C ATOM 995 O ASP A 61 -16.609 -18.802 -17.698 1.00 21.33 O ATOM 996 CB ASP A 61 -15.754 -21.309 -19.274 1.00 61.21 C ATOM 997 CG ASP A 61 -16.648 -22.471 -19.661 1.00 12.22 C ATOM 998 OD1 ASP A 61 -16.216 -23.632 -19.501 1.00 42.33 O ATOM 999 OD2 ASP A 61 -17.781 -22.219 -20.122 1.00 43.02 O ATOM 0 H ASP A 61 -14.723 -18.627 -19.398 1.00 73.54 H new ATOM 0 HA ASP A 61 -16.922 -20.139 -20.646 1.00 4.05 H new ATOM 0 HB2 ASP A 61 -14.756 -21.471 -19.681 1.00 61.21 H new ATOM 0 HB3 ASP A 61 -15.654 -21.277 -18.189 1.00 61.21 H new ATOM 1004 N GLU A 62 -18.453 -19.320 -18.880 1.00 45.20 N ATOM 1005 CA GLU A 62 -19.370 -18.722 -17.918 1.00 13.25 C ATOM 1006 C GLU A 62 -19.137 -19.287 -16.519 1.00 63.04 C ATOM 1007 O GLU A 62 -19.127 -18.550 -15.533 1.00 64.03 O ATOM 1008 CB GLU A 62 -20.820 -18.965 -18.342 1.00 60.43 C ATOM 1009 CG GLU A 62 -21.129 -20.422 -18.643 1.00 73.35 C ATOM 1010 CD GLU A 62 -22.544 -20.625 -19.151 1.00 64.43 C ATOM 1011 OE1 GLU A 62 -22.723 -20.723 -20.384 1.00 4.55 O ATOM 1012 OE2 GLU A 62 -23.471 -20.687 -18.317 1.00 40.04 O ATOM 0 H GLU A 62 -18.907 -19.736 -19.693 1.00 45.20 H new ATOM 0 HA GLU A 62 -19.181 -17.649 -17.894 1.00 13.25 H new ATOM 0 HB2 GLU A 62 -21.484 -18.617 -17.551 1.00 60.43 H new ATOM 0 HB3 GLU A 62 -21.037 -18.366 -19.227 1.00 60.43 H new ATOM 0 HG2 GLU A 62 -20.423 -20.793 -19.386 1.00 73.35 H new ATOM 0 HG3 GLU A 62 -20.982 -21.015 -17.740 1.00 73.35 H new ATOM 1019 N VAL A 63 -18.950 -20.601 -16.442 1.00 42.22 N ATOM 1020 CA VAL A 63 -18.716 -21.266 -15.166 1.00 62.11 C ATOM 1021 C VAL A 63 -17.478 -20.707 -14.473 1.00 53.45 C ATOM 1022 O VAL A 63 -17.531 -20.306 -13.310 1.00 54.15 O ATOM 1023 CB VAL A 63 -18.546 -22.786 -15.348 1.00 44.03 C ATOM 1024 CG1 VAL A 63 -18.481 -23.482 -13.997 1.00 71.04 C ATOM 1025 CG2 VAL A 63 -19.676 -23.351 -16.195 1.00 14.42 C ATOM 0 H VAL A 63 -18.956 -21.226 -17.248 1.00 42.22 H new ATOM 0 HA VAL A 63 -19.592 -21.077 -14.546 1.00 62.11 H new ATOM 0 HB VAL A 63 -17.606 -22.969 -15.869 1.00 44.03 H new ATOM 0 HG11 VAL A 63 -18.361 -24.555 -14.146 1.00 71.04 H new ATOM 0 HG12 VAL A 63 -17.633 -23.097 -13.430 1.00 71.04 H new ATOM 0 HG13 VAL A 63 -19.402 -23.293 -13.446 1.00 71.04 H new ATOM 0 HG21 VAL A 63 -19.540 -24.426 -16.313 1.00 14.42 H new ATOM 0 HG22 VAL A 63 -20.630 -23.158 -15.704 1.00 14.42 H new ATOM 0 HG23 VAL A 63 -19.669 -22.874 -17.175 1.00 14.42 H new ATOM 1035 N LYS A 64 -16.363 -20.681 -15.196 1.00 34.31 N ATOM 1036 CA LYS A 64 -15.111 -20.169 -14.653 1.00 22.20 C ATOM 1037 C LYS A 64 -15.243 -18.697 -14.275 1.00 61.32 C ATOM 1038 O LYS A 64 -14.830 -18.286 -13.191 1.00 14.23 O ATOM 1039 CB LYS A 64 -13.980 -20.346 -15.669 1.00 74.42 C ATOM 1040 CG LYS A 64 -13.533 -21.788 -15.836 1.00 24.12 C ATOM 1041 CD LYS A 64 -12.067 -21.875 -16.227 1.00 70.15 C ATOM 1042 CE LYS A 64 -11.159 -21.443 -15.087 1.00 4.51 C ATOM 1043 NZ LYS A 64 -9.733 -21.779 -15.355 1.00 20.41 N ATOM 0 H LYS A 64 -16.301 -21.009 -16.160 1.00 34.31 H new ATOM 0 HA LYS A 64 -14.875 -20.737 -13.753 1.00 22.20 H new ATOM 0 HB2 LYS A 64 -14.307 -19.962 -16.635 1.00 74.42 H new ATOM 0 HB3 LYS A 64 -13.126 -19.743 -15.359 1.00 74.42 H new ATOM 0 HG2 LYS A 64 -13.695 -22.330 -14.905 1.00 24.12 H new ATOM 0 HG3 LYS A 64 -14.143 -22.273 -16.598 1.00 24.12 H new ATOM 0 HD2 LYS A 64 -11.827 -22.898 -16.517 1.00 70.15 H new ATOM 0 HD3 LYS A 64 -11.884 -21.246 -17.098 1.00 70.15 H new ATOM 0 HE2 LYS A 64 -11.256 -20.368 -14.933 1.00 4.51 H new ATOM 0 HE3 LYS A 64 -11.479 -21.927 -14.164 1.00 4.51 H new ATOM 0 HZ1 LYS A 64 -9.147 -21.468 -14.554 1.00 20.41 H new ATOM 0 HZ2 LYS A 64 -9.636 -22.807 -15.477 1.00 20.41 H new ATOM 0 HZ3 LYS A 64 -9.420 -21.297 -16.221 1.00 20.41 H new ATOM 1057 N ARG A 65 -15.822 -17.910 -15.176 1.00 4.43 N ATOM 1058 CA ARG A 65 -16.008 -16.484 -14.936 1.00 52.30 C ATOM 1059 C ARG A 65 -16.863 -16.248 -13.694 1.00 71.42 C ATOM 1060 O ARG A 65 -16.526 -15.427 -12.842 1.00 14.54 O ATOM 1061 CB ARG A 65 -16.661 -15.822 -16.151 1.00 12.22 C ATOM 1062 CG ARG A 65 -16.859 -14.323 -15.995 1.00 13.14 C ATOM 1063 CD ARG A 65 -18.135 -13.856 -16.677 1.00 53.42 C ATOM 1064 NE ARG A 65 -18.743 -12.723 -15.984 1.00 53.23 N ATOM 1065 CZ ARG A 65 -19.299 -12.810 -14.781 1.00 4.43 C ATOM 1066 NH1 ARG A 65 -19.322 -13.970 -14.140 1.00 32.10 N ATOM 1067 NH2 ARG A 65 -19.832 -11.734 -14.215 1.00 45.25 N ATOM 0 H ARG A 65 -16.170 -18.235 -16.078 1.00 4.43 H new ATOM 0 HA ARG A 65 -15.027 -16.038 -14.771 1.00 52.30 H new ATOM 0 HB2 ARG A 65 -16.045 -16.009 -17.031 1.00 12.22 H new ATOM 0 HB3 ARG A 65 -17.628 -16.291 -16.333 1.00 12.22 H new ATOM 0 HG2 ARG A 65 -16.897 -14.068 -14.936 1.00 13.14 H new ATOM 0 HG3 ARG A 65 -16.004 -13.796 -16.419 1.00 13.14 H new ATOM 0 HD2 ARG A 65 -17.914 -13.575 -17.707 1.00 53.42 H new ATOM 0 HD3 ARG A 65 -18.847 -14.680 -16.718 1.00 53.42 H new ATOM 0 HE ARG A 65 -18.740 -11.815 -16.449 1.00 53.23 H new ATOM 0 HH11 ARG A 65 -18.912 -14.799 -14.571 1.00 32.10 H new ATOM 0 HH12 ARG A 65 -19.750 -14.034 -13.216 1.00 32.10 H new ATOM 0 HH21 ARG A 65 -19.815 -10.839 -14.704 1.00 45.25 H new ATOM 0 HH22 ARG A 65 -20.259 -11.802 -13.291 1.00 45.25 H new ATOM 1081 N LYS A 66 -17.971 -16.975 -13.599 1.00 75.01 N ATOM 1082 CA LYS A 66 -18.875 -16.847 -12.462 1.00 75.22 C ATOM 1083 C LYS A 66 -18.183 -17.261 -11.167 1.00 52.24 C ATOM 1084 O LYS A 66 -18.335 -16.607 -10.136 1.00 51.42 O ATOM 1085 CB LYS A 66 -20.126 -17.702 -12.680 1.00 21.10 C ATOM 1086 CG LYS A 66 -21.055 -17.159 -13.751 1.00 53.44 C ATOM 1087 CD LYS A 66 -21.774 -15.904 -13.283 1.00 25.34 C ATOM 1088 CE LYS A 66 -22.238 -15.056 -14.457 1.00 34.53 C ATOM 1089 NZ LYS A 66 -23.585 -15.470 -14.941 1.00 3.24 N ATOM 0 H LYS A 66 -18.265 -17.659 -14.296 1.00 75.01 H new ATOM 0 HA LYS A 66 -19.167 -15.800 -12.378 1.00 75.22 H new ATOM 0 HB2 LYS A 66 -19.822 -18.713 -12.953 1.00 21.10 H new ATOM 0 HB3 LYS A 66 -20.673 -17.777 -11.740 1.00 21.10 H new ATOM 0 HG2 LYS A 66 -20.483 -16.937 -14.652 1.00 53.44 H new ATOM 0 HG3 LYS A 66 -21.788 -17.921 -14.019 1.00 53.44 H new ATOM 0 HD2 LYS A 66 -22.633 -16.182 -12.672 1.00 25.34 H new ATOM 0 HD3 LYS A 66 -21.109 -15.317 -12.650 1.00 25.34 H new ATOM 0 HE2 LYS A 66 -22.265 -14.008 -14.160 1.00 34.53 H new ATOM 0 HE3 LYS A 66 -21.518 -15.138 -15.271 1.00 34.53 H new ATOM 0 HZ1 LYS A 66 -23.866 -14.869 -15.741 1.00 3.24 H new ATOM 0 HZ2 LYS A 66 -23.553 -16.463 -15.248 1.00 3.24 H new ATOM 0 HZ3 LYS A 66 -24.277 -15.368 -14.171 1.00 3.24 H new