USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc=-0.00554 X(o=-0.99,f=-1.2) USER MOD Set 1.2: A 102 SER OG : rot 22:sc= -0.986 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.42! C(o=-1.4!,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= -0.172 (180deg=-1.48!) USER MOD Single : A 23 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -10.5! C(o=-12!,f=-10!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 0.641 (180deg=0.224) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 180:sc= -2.97 USER MOD Single : A 50 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.045) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.308 F(o=-1.8,f=-0.31) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 110:sc= -2.58 USER MOD Single : A 74 HIS : no HD1:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.292 (180deg=-1.03) USER MOD Single : A 79 ASN : amide:sc= 0.306 K(o=0.31,f=-2.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 93:sc= 0.651 USER MOD Single : A 94 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -20.7! C(o=-22!,f=-21!) USER MOD Single : A 101 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -110:sc= 0.088 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -6.842 12.118 40.684 1.00 0.00 N ATOM 54 CA LEU A 5 -6.786 11.434 39.403 1.00 0.00 C ATOM 55 C LEU A 5 -8.192 10.973 39.014 1.00 0.00 C ATOM 56 O LEU A 5 -8.364 10.258 38.028 1.00 0.00 O ATOM 57 CB LEU A 5 -5.757 10.302 39.445 1.00 0.00 C ATOM 58 CG LEU A 5 -4.616 10.470 40.450 1.00 0.00 C ATOM 59 CD1 LEU A 5 -4.571 9.296 41.430 1.00 0.00 C ATOM 60 CD2 LEU A 5 -3.279 10.670 39.733 1.00 0.00 C ATOM 0 HA LEU A 5 -6.446 12.114 38.622 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.279 9.372 39.670 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.325 10.193 38.450 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.806 11.370 41.035 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.751 9.440 42.133 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.513 9.242 41.976 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.417 8.368 40.879 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.485 10.787 40.470 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.068 9.803 39.107 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.330 11.563 39.110 1.00 0.00 H new ATOM 72 N VAL A 6 -9.162 11.402 39.808 1.00 0.00 N ATOM 73 CA VAL A 6 -10.547 11.042 39.559 1.00 0.00 C ATOM 74 C VAL A 6 -11.362 12.312 39.308 1.00 0.00 C ATOM 75 O VAL A 6 -12.398 12.269 38.646 1.00 0.00 O ATOM 76 CB VAL A 6 -11.087 10.204 40.720 1.00 0.00 C ATOM 77 CG1 VAL A 6 -12.616 10.147 40.690 1.00 0.00 C ATOM 78 CG2 VAL A 6 -10.485 8.798 40.708 1.00 0.00 C ATOM 0 H VAL A 6 -9.016 11.996 40.624 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.626 10.423 38.665 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.788 10.688 41.650 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.974 9.545 41.525 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.019 11.156 40.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.945 9.698 39.753 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.886 8.224 41.543 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.739 8.302 39.771 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.401 8.866 40.801 1.00 0.00 H new ATOM 88 N LYS A 7 -10.864 13.413 39.851 1.00 0.00 N ATOM 89 CA LYS A 7 -11.533 14.694 39.694 1.00 0.00 C ATOM 90 C LYS A 7 -11.207 15.269 38.314 1.00 0.00 C ATOM 91 O LYS A 7 -11.426 16.453 38.064 1.00 0.00 O ATOM 92 CB LYS A 7 -11.176 15.630 40.851 1.00 0.00 C ATOM 93 CG LYS A 7 -12.387 15.869 41.755 1.00 0.00 C ATOM 94 CD LYS A 7 -11.960 15.993 43.220 1.00 0.00 C ATOM 95 CE LYS A 7 -11.455 17.404 43.526 1.00 0.00 C ATOM 96 NZ LYS A 7 -11.761 17.771 44.927 1.00 0.00 N ATOM 0 H LYS A 7 -10.005 13.445 40.400 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.615 14.567 39.739 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.362 15.200 41.434 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.818 16.581 40.457 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.904 16.777 41.445 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.094 15.047 41.647 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.803 15.756 43.869 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.176 15.267 43.437 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.380 17.457 43.357 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.920 18.118 42.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.412 18.732 45.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.790 17.740 45.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.297 17.099 45.571 1.00 0.00 H new ATOM 110 N GLY A 8 -10.687 14.404 37.455 1.00 0.00 N ATOM 111 CA GLY A 8 -10.329 14.812 36.108 1.00 0.00 C ATOM 112 C GLY A 8 -9.793 13.627 35.301 1.00 0.00 C ATOM 113 O GLY A 8 -8.628 13.616 34.906 1.00 0.00 O ATOM 0 H GLY A 8 -10.505 13.423 37.666 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.201 15.233 35.608 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.576 15.598 36.150 1.00 0.00 H new ATOM 117 N PRO A 9 -10.692 12.632 35.074 1.00 0.00 N ATOM 118 CA PRO A 9 -10.321 11.446 34.322 1.00 0.00 C ATOM 119 C PRO A 9 -10.230 11.752 32.825 1.00 0.00 C ATOM 120 O PRO A 9 -11.059 12.484 32.286 1.00 0.00 O ATOM 121 CB PRO A 9 -11.392 10.419 34.654 1.00 0.00 C ATOM 122 CG PRO A 9 -12.568 11.207 35.206 1.00 0.00 C ATOM 123 CD PRO A 9 -12.080 12.611 35.526 1.00 0.00 C ATOM 0 HA PRO A 9 -9.332 11.072 34.588 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.681 9.856 33.767 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.028 9.697 35.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.379 11.241 34.479 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.963 10.727 36.101 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.676 13.364 35.011 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.152 12.822 36.593 1.00 0.00 H new ATOM 131 N TRP A 10 -9.216 11.176 32.197 1.00 0.00 N ATOM 132 CA TRP A 10 -9.005 11.378 30.773 1.00 0.00 C ATOM 133 C TRP A 10 -10.187 10.755 30.028 1.00 0.00 C ATOM 134 O TRP A 10 -10.877 9.889 30.564 1.00 0.00 O ATOM 135 CB TRP A 10 -7.655 10.811 30.333 1.00 0.00 C ATOM 136 CG TRP A 10 -6.449 11.527 30.944 1.00 0.00 C ATOM 137 CD1 TRP A 10 -6.266 11.892 32.221 1.00 0.00 C ATOM 138 CD2 TRP A 10 -5.259 11.955 30.248 1.00 0.00 C ATOM 139 NE1 TRP A 10 -5.050 12.520 32.398 1.00 0.00 N ATOM 140 CE2 TRP A 10 -4.418 12.560 31.160 1.00 0.00 C ATOM 141 CE3 TRP A 10 -4.905 11.834 28.893 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -3.170 13.091 30.816 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -3.654 12.371 28.565 1.00 0.00 C ATOM 144 CH2 TRP A 10 -2.796 12.983 29.472 1.00 0.00 C ATOM 0 H TRP A 10 -8.531 10.569 32.648 1.00 0.00 H new ATOM 0 HA TRP A 10 -8.965 12.441 30.536 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -7.612 9.755 30.601 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -7.586 10.867 29.247 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.980 11.717 33.012 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -4.682 12.887 33.276 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -5.547 11.364 28.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -2.530 13.559 31.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.333 12.305 27.536 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.845 13.373 29.141 1.00 0.00 H new ATOM 155 N THR A 11 -10.385 11.221 28.803 1.00 0.00 N ATOM 156 CA THR A 11 -11.471 10.720 27.979 1.00 0.00 C ATOM 157 C THR A 11 -11.124 10.861 26.495 1.00 0.00 C ATOM 158 O THR A 11 -10.188 11.575 26.139 1.00 0.00 O ATOM 159 CB THR A 11 -12.748 11.463 28.377 1.00 0.00 C ATOM 160 OG1 THR A 11 -12.664 12.700 27.674 1.00 0.00 O ATOM 161 CG2 THR A 11 -12.752 11.871 29.852 1.00 0.00 C ATOM 0 H THR A 11 -9.811 11.940 28.362 1.00 0.00 H new ATOM 0 HA THR A 11 -11.633 9.655 28.143 1.00 0.00 H new ATOM 0 HB THR A 11 -13.613 10.833 28.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.454 13.244 27.874 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.680 12.395 30.082 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.673 10.981 30.476 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.906 12.529 30.050 1.00 0.00 H new ATOM 169 N LYS A 12 -11.897 10.170 25.671 1.00 0.00 N ATOM 170 CA LYS A 12 -11.683 10.210 24.234 1.00 0.00 C ATOM 171 C LYS A 12 -11.275 11.625 23.822 1.00 0.00 C ATOM 172 O LYS A 12 -10.456 11.802 22.922 1.00 0.00 O ATOM 173 CB LYS A 12 -12.915 9.685 23.494 1.00 0.00 C ATOM 174 CG LYS A 12 -12.594 9.406 22.024 1.00 0.00 C ATOM 175 CD LYS A 12 -13.666 8.518 21.389 1.00 0.00 C ATOM 176 CE LYS A 12 -13.064 7.201 20.894 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.081 6.404 20.173 1.00 0.00 N ATOM 0 H LYS A 12 -12.673 9.579 25.971 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.864 9.548 23.953 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.269 8.772 23.972 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.722 10.414 23.562 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.525 10.347 21.478 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.621 8.921 21.946 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.451 8.312 22.117 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.133 9.044 20.556 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.220 7.405 20.235 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.678 6.630 21.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.655 5.514 19.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.874 6.193 20.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.429 6.944 19.355 1.00 0.00 H new ATOM 191 N GLU A 13 -11.865 12.598 24.502 1.00 0.00 N ATOM 192 CA GLU A 13 -11.573 13.993 24.218 1.00 0.00 C ATOM 193 C GLU A 13 -10.065 14.244 24.287 1.00 0.00 C ATOM 194 O GLU A 13 -9.497 14.878 23.399 1.00 0.00 O ATOM 195 CB GLU A 13 -12.327 14.917 25.176 1.00 0.00 C ATOM 196 CG GLU A 13 -12.834 16.164 24.450 1.00 0.00 C ATOM 197 CD GLU A 13 -12.192 17.430 25.021 1.00 0.00 C ATOM 198 OE1 GLU A 13 -11.076 17.757 24.563 1.00 0.00 O ATOM 199 OE2 GLU A 13 -12.831 18.043 25.903 1.00 0.00 O ATOM 0 H GLU A 13 -12.544 12.448 25.249 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.913 14.217 23.207 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.168 14.382 25.617 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.671 15.211 25.996 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.610 16.086 23.386 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.918 16.228 24.543 1.00 0.00 H new ATOM 206 N GLU A 14 -9.461 13.735 25.350 1.00 0.00 N ATOM 207 CA GLU A 14 -8.030 13.896 25.547 1.00 0.00 C ATOM 208 C GLU A 14 -7.265 13.384 24.324 1.00 0.00 C ATOM 209 O GLU A 14 -6.314 14.019 23.872 1.00 0.00 O ATOM 210 CB GLU A 14 -7.568 13.186 26.820 1.00 0.00 C ATOM 211 CG GLU A 14 -7.293 11.705 26.553 1.00 0.00 C ATOM 212 CD GLU A 14 -5.942 11.514 25.861 1.00 0.00 C ATOM 213 OE1 GLU A 14 -5.249 12.538 25.676 1.00 0.00 O ATOM 214 OE2 GLU A 14 -5.633 10.348 25.531 1.00 0.00 O ATOM 0 H GLU A 14 -9.936 13.211 26.085 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.817 14.958 25.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.665 13.664 27.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.331 13.284 27.593 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.305 11.154 27.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.086 11.291 25.931 1.00 0.00 H new ATOM 221 N ASP A 15 -7.710 12.240 23.825 1.00 0.00 N ATOM 222 CA ASP A 15 -7.079 11.635 22.665 1.00 0.00 C ATOM 223 C ASP A 15 -7.486 12.407 21.408 1.00 0.00 C ATOM 224 O ASP A 15 -6.679 13.138 20.836 1.00 0.00 O ATOM 225 CB ASP A 15 -7.524 10.181 22.491 1.00 0.00 C ATOM 226 CG ASP A 15 -6.629 9.145 23.174 1.00 0.00 C ATOM 227 OD1 ASP A 15 -5.427 9.119 22.831 1.00 0.00 O ATOM 228 OD2 ASP A 15 -7.167 8.402 24.023 1.00 0.00 O ATOM 0 H ASP A 15 -8.500 11.717 24.203 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.000 11.667 22.814 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.537 10.078 22.881 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.568 9.955 21.426 1.00 0.00 H new ATOM 233 N GLN A 16 -8.738 12.218 21.015 1.00 0.00 N ATOM 234 CA GLN A 16 -9.261 12.887 19.837 1.00 0.00 C ATOM 235 C GLN A 16 -8.668 14.292 19.717 1.00 0.00 C ATOM 236 O GLN A 16 -8.470 14.794 18.611 1.00 0.00 O ATOM 237 CB GLN A 16 -10.790 12.939 19.870 1.00 0.00 C ATOM 238 CG GLN A 16 -11.290 13.552 21.180 1.00 0.00 C ATOM 239 CD GLN A 16 -12.020 14.872 20.924 1.00 0.00 C ATOM 240 OE1 GLN A 16 -11.424 15.932 20.822 1.00 0.00 O ATOM 241 NE2 GLN A 16 -13.341 14.749 20.826 1.00 0.00 N ATOM 0 H GLN A 16 -9.405 11.611 21.492 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.968 12.314 18.958 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.156 13.525 19.027 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.194 11.933 19.758 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.960 12.853 21.680 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.448 13.722 21.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.776 13.831 20.921 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.919 15.572 20.655 1.00 0.00 H new ATOM 250 N LYS A 17 -8.399 14.887 20.870 1.00 0.00 N ATOM 251 CA LYS A 17 -7.832 16.224 20.908 1.00 0.00 C ATOM 252 C LYS A 17 -6.355 16.158 20.513 1.00 0.00 C ATOM 253 O LYS A 17 -5.983 16.568 19.415 1.00 0.00 O ATOM 254 CB LYS A 17 -8.075 16.871 22.273 1.00 0.00 C ATOM 255 CG LYS A 17 -7.589 18.322 22.287 1.00 0.00 C ATOM 256 CD LYS A 17 -6.914 18.661 23.617 1.00 0.00 C ATOM 257 CE LYS A 17 -7.826 19.528 24.489 1.00 0.00 C ATOM 258 NZ LYS A 17 -7.160 19.855 25.769 1.00 0.00 N ATOM 0 H LYS A 17 -8.563 14.467 21.785 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.328 16.869 20.183 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.138 16.838 22.511 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.557 16.303 23.046 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.888 18.482 21.468 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.432 18.993 22.121 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.664 17.742 24.147 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.977 19.186 23.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.080 20.446 23.959 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.761 19.002 24.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.876 19.954 26.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.499 19.093 26.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.637 20.748 25.670 1.00 0.00 H new ATOM 272 N VAL A 18 -5.553 15.639 21.431 1.00 0.00 N ATOM 273 CA VAL A 18 -4.125 15.514 21.193 1.00 0.00 C ATOM 274 C VAL A 18 -3.892 15.019 19.764 1.00 0.00 C ATOM 275 O VAL A 18 -2.928 15.420 19.113 1.00 0.00 O ATOM 276 CB VAL A 18 -3.495 14.606 22.251 1.00 0.00 C ATOM 277 CG1 VAL A 18 -2.171 14.021 21.754 1.00 0.00 C ATOM 278 CG2 VAL A 18 -3.303 15.354 23.572 1.00 0.00 C ATOM 0 H VAL A 18 -5.865 15.300 22.341 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.636 16.484 21.285 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.180 13.778 22.432 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.744 13.380 22.525 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.348 13.435 20.852 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.476 14.831 21.531 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.854 14.686 24.307 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.649 16.211 23.413 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.270 15.699 23.939 1.00 0.00 H new ATOM 288 N ILE A 19 -4.791 14.153 19.318 1.00 0.00 N ATOM 289 CA ILE A 19 -4.695 13.599 17.979 1.00 0.00 C ATOM 290 C ILE A 19 -4.901 14.715 16.953 1.00 0.00 C ATOM 291 O ILE A 19 -4.125 14.846 16.008 1.00 0.00 O ATOM 292 CB ILE A 19 -5.664 12.426 17.814 1.00 0.00 C ATOM 293 CG1 ILE A 19 -5.150 11.183 18.543 1.00 0.00 C ATOM 294 CG2 ILE A 19 -5.943 12.149 16.335 1.00 0.00 C ATOM 295 CD1 ILE A 19 -4.314 11.571 19.764 1.00 0.00 C ATOM 0 H ILE A 19 -5.589 13.822 19.861 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.700 13.188 17.808 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.613 12.700 18.275 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.992 10.566 18.856 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.549 10.580 17.862 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.634 11.311 16.246 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.384 13.034 15.876 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.009 11.905 15.828 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.961 10.669 20.264 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.459 12.168 19.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.926 12.153 20.454 1.00 0.00 H new ATOM 307 N GLU A 20 -5.951 15.493 17.175 1.00 0.00 N ATOM 308 CA GLU A 20 -6.268 16.594 16.282 1.00 0.00 C ATOM 309 C GLU A 20 -5.163 17.651 16.329 1.00 0.00 C ATOM 310 O GLU A 20 -4.975 18.400 15.371 1.00 0.00 O ATOM 311 CB GLU A 20 -7.627 17.206 16.628 1.00 0.00 C ATOM 312 CG GLU A 20 -8.507 17.328 15.382 1.00 0.00 C ATOM 313 CD GLU A 20 -9.901 17.844 15.743 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.385 17.458 16.829 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.452 18.613 14.925 1.00 0.00 O ATOM 0 H GLU A 20 -6.593 15.382 17.960 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.329 16.206 15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.129 16.588 17.373 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.484 18.190 17.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.039 18.004 14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.590 16.357 14.895 1.00 0.00 H new ATOM 322 N LEU A 21 -4.461 17.678 17.452 1.00 0.00 N ATOM 323 CA LEU A 21 -3.380 18.630 17.636 1.00 0.00 C ATOM 324 C LEU A 21 -2.151 18.158 16.856 1.00 0.00 C ATOM 325 O LEU A 21 -1.627 18.888 16.016 1.00 0.00 O ATOM 326 CB LEU A 21 -3.112 18.856 19.126 1.00 0.00 C ATOM 327 CG LEU A 21 -3.979 19.915 19.810 1.00 0.00 C ATOM 328 CD1 LEU A 21 -4.406 19.456 21.205 1.00 0.00 C ATOM 329 CD2 LEU A 21 -3.267 21.268 19.844 1.00 0.00 C ATOM 0 H LEU A 21 -4.620 17.055 18.244 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.659 19.604 17.234 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.251 17.909 19.648 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.066 19.137 19.248 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.888 20.045 19.222 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.021 20.227 21.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.980 18.533 21.124 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.521 19.280 21.817 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.905 22.003 20.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.332 21.173 20.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.056 21.594 18.825 1.00 0.00 H new ATOM 341 N VAL A 22 -1.728 16.940 17.161 1.00 0.00 N ATOM 342 CA VAL A 22 -0.572 16.362 16.498 1.00 0.00 C ATOM 343 C VAL A 22 -0.795 16.378 14.985 1.00 0.00 C ATOM 344 O VAL A 22 0.157 16.286 14.212 1.00 0.00 O ATOM 345 CB VAL A 22 -0.300 14.960 17.048 1.00 0.00 C ATOM 346 CG1 VAL A 22 1.044 14.427 16.549 1.00 0.00 C ATOM 347 CG2 VAL A 22 -0.362 14.949 18.576 1.00 0.00 C ATOM 0 H VAL A 22 -2.165 16.338 17.858 1.00 0.00 H new ATOM 0 HA VAL A 22 0.320 16.955 16.701 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.081 14.297 16.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.213 13.429 16.954 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.035 14.379 15.460 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.843 15.092 16.876 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.165 13.941 18.941 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.387 15.632 18.975 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.353 15.266 18.902 1.00 0.00 H new ATOM 357 N LYS A 23 -2.059 16.496 14.607 1.00 0.00 N ATOM 358 CA LYS A 23 -2.420 16.526 13.199 1.00 0.00 C ATOM 359 C LYS A 23 -2.092 17.904 12.622 1.00 0.00 C ATOM 360 O LYS A 23 -1.507 18.006 11.544 1.00 0.00 O ATOM 361 CB LYS A 23 -3.882 16.113 13.012 1.00 0.00 C ATOM 362 CG LYS A 23 -3.983 14.680 12.486 1.00 0.00 C ATOM 363 CD LYS A 23 -4.454 14.662 11.031 1.00 0.00 C ATOM 364 CE LYS A 23 -5.979 14.564 10.949 1.00 0.00 C ATOM 365 NZ LYS A 23 -6.524 15.658 10.115 1.00 0.00 N ATOM 0 H LYS A 23 -2.846 16.572 15.251 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.833 15.798 12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.411 16.194 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.370 16.795 12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.012 14.191 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.677 14.110 13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.116 15.566 10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.003 13.818 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.265 13.600 10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.407 14.614 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.560 15.577 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.266 16.575 10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.129 15.592 9.155 1.00 0.00 H new ATOM 379 N LYS A 24 -2.482 18.930 13.364 1.00 0.00 N ATOM 380 CA LYS A 24 -2.236 20.297 12.939 1.00 0.00 C ATOM 381 C LYS A 24 -0.820 20.707 13.348 1.00 0.00 C ATOM 382 O LYS A 24 -0.300 21.715 12.872 1.00 0.00 O ATOM 383 CB LYS A 24 -3.325 21.229 13.475 1.00 0.00 C ATOM 384 CG LYS A 24 -3.556 22.406 12.526 1.00 0.00 C ATOM 385 CD LYS A 24 -2.925 23.686 13.076 1.00 0.00 C ATOM 386 CE LYS A 24 -3.800 24.303 14.170 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.833 25.179 13.574 1.00 0.00 N ATOM 0 H LYS A 24 -2.967 18.842 14.257 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.289 20.373 11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.254 20.673 13.603 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.038 21.601 14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.131 22.178 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.626 22.557 12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.936 23.465 13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.787 24.404 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.276 23.514 14.752 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.181 24.878 14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.418 25.590 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.373 25.943 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.435 24.621 12.935 1.00 0.00 H new ATOM 401 N TYR A 25 -0.236 19.904 14.225 1.00 0.00 N ATOM 402 CA TYR A 25 1.110 20.171 14.704 1.00 0.00 C ATOM 403 C TYR A 25 2.139 19.340 13.935 1.00 0.00 C ATOM 404 O TYR A 25 3.067 19.888 13.343 1.00 0.00 O ATOM 405 CB TYR A 25 1.126 19.748 16.174 1.00 0.00 C ATOM 406 CG TYR A 25 0.596 20.815 17.134 1.00 0.00 C ATOM 407 CD1 TYR A 25 -0.516 21.559 16.793 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.228 21.033 18.341 1.00 0.00 C ATOM 409 CE1 TYR A 25 -1.015 22.563 17.696 1.00 0.00 C ATOM 410 CE2 TYR A 25 0.729 22.038 19.244 1.00 0.00 C ATOM 411 CZ TYR A 25 -0.368 22.753 18.877 1.00 0.00 C ATOM 412 OH TYR A 25 -0.840 23.701 19.730 1.00 0.00 O ATOM 0 H TYR A 25 -0.670 19.068 14.617 1.00 0.00 H new ATOM 0 HA TYR A 25 1.365 21.222 14.569 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.529 18.843 16.288 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.147 19.494 16.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.011 21.388 15.849 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.097 20.450 18.609 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.884 23.152 17.441 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.215 22.220 20.191 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.280 23.726 20.534 1.00 0.00 H new ATOM 422 N GLY A 26 1.941 18.030 13.970 1.00 0.00 N ATOM 423 CA GLY A 26 2.840 17.118 13.284 1.00 0.00 C ATOM 424 C GLY A 26 4.186 17.788 12.998 1.00 0.00 C ATOM 425 O GLY A 26 4.344 18.462 11.981 1.00 0.00 O ATOM 0 H GLY A 26 1.171 17.579 14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.995 16.227 13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.387 16.790 12.349 1.00 0.00 H new ATOM 429 N THR A 27 5.122 17.578 13.912 1.00 0.00 N ATOM 430 CA THR A 27 6.449 18.152 13.770 1.00 0.00 C ATOM 431 C THR A 27 7.424 17.490 14.745 1.00 0.00 C ATOM 432 O THR A 27 8.463 16.976 14.336 1.00 0.00 O ATOM 433 CB THR A 27 6.331 19.666 13.962 1.00 0.00 C ATOM 434 OG1 THR A 27 7.653 20.076 14.303 1.00 0.00 O ATOM 435 CG2 THR A 27 5.497 20.038 15.189 1.00 0.00 C ATOM 0 H THR A 27 4.987 17.018 14.754 1.00 0.00 H new ATOM 0 HA THR A 27 6.857 17.966 12.776 1.00 0.00 H new ATOM 0 HB THR A 27 5.885 20.111 13.073 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.669 21.046 14.444 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.445 21.123 15.278 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.490 19.634 15.081 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.960 19.622 16.084 1.00 0.00 H new ATOM 443 N LYS A 28 7.053 17.524 16.017 1.00 0.00 N ATOM 444 CA LYS A 28 7.882 16.934 17.054 1.00 0.00 C ATOM 445 C LYS A 28 7.396 17.411 18.423 1.00 0.00 C ATOM 446 O LYS A 28 7.820 16.889 19.453 1.00 0.00 O ATOM 447 CB LYS A 28 9.361 17.227 16.790 1.00 0.00 C ATOM 448 CG LYS A 28 10.104 15.959 16.366 1.00 0.00 C ATOM 449 CD LYS A 28 11.535 15.955 16.910 1.00 0.00 C ATOM 450 CE LYS A 28 12.553 15.868 15.771 1.00 0.00 C ATOM 451 NZ LYS A 28 13.933 15.898 16.307 1.00 0.00 N ATOM 0 H LYS A 28 6.190 17.951 16.353 1.00 0.00 H new ATOM 0 HA LYS A 28 7.789 15.848 17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.452 17.984 16.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.820 17.638 17.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.570 15.081 16.730 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.124 15.891 15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.710 16.861 17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.668 15.111 17.587 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.396 14.950 15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.407 16.698 15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.612 15.838 15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.084 16.785 16.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.074 15.092 16.948 1.00 0.00 H new ATOM 465 N GLN A 29 6.512 18.397 18.391 1.00 0.00 N ATOM 466 CA GLN A 29 5.963 18.951 19.617 1.00 0.00 C ATOM 467 C GLN A 29 5.042 17.933 20.294 1.00 0.00 C ATOM 468 O GLN A 29 3.824 17.990 20.135 1.00 0.00 O ATOM 469 CB GLN A 29 5.223 20.262 19.344 1.00 0.00 C ATOM 470 CG GLN A 29 6.184 21.339 18.837 1.00 0.00 C ATOM 471 CD GLN A 29 5.522 22.718 18.857 1.00 0.00 C ATOM 472 OE1 GLN A 29 5.965 23.638 19.526 1.00 0.00 O ATOM 473 NE2 GLN A 29 4.440 22.810 18.089 1.00 0.00 N ATOM 0 H GLN A 29 6.162 18.827 17.535 1.00 0.00 H new ATOM 0 HA GLN A 29 6.789 19.172 20.294 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.438 20.094 18.607 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.735 20.605 20.256 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.080 21.353 19.457 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.502 21.099 17.822 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.123 22.001 17.555 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.927 23.690 18.034 1.00 0.00 H new ATOM 482 N TRP A 30 5.661 17.024 21.034 1.00 0.00 N ATOM 483 CA TRP A 30 4.913 15.995 21.735 1.00 0.00 C ATOM 484 C TRP A 30 4.548 16.535 23.119 1.00 0.00 C ATOM 485 O TRP A 30 3.942 15.830 23.925 1.00 0.00 O ATOM 486 CB TRP A 30 5.703 14.686 21.793 1.00 0.00 C ATOM 487 CG TRP A 30 5.369 13.706 20.667 1.00 0.00 C ATOM 488 CD1 TRP A 30 6.087 13.436 19.568 1.00 0.00 C ATOM 489 CD2 TRP A 30 4.195 12.871 20.574 1.00 0.00 C ATOM 490 NE1 TRP A 30 5.464 12.493 18.776 1.00 0.00 N ATOM 491 CE2 TRP A 30 4.278 12.138 19.407 1.00 0.00 C ATOM 492 CE3 TRP A 30 3.100 12.740 21.446 1.00 0.00 C ATOM 493 CZ2 TRP A 30 3.297 11.223 19.007 1.00 0.00 C ATOM 494 CZ3 TRP A 30 2.129 11.821 21.031 1.00 0.00 C ATOM 495 CH2 TRP A 30 2.197 11.075 19.860 1.00 0.00 C ATOM 0 H TRP A 30 6.672 16.979 21.163 1.00 0.00 H new ATOM 0 HA TRP A 30 3.993 15.756 21.201 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.768 14.915 21.757 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.513 14.201 22.751 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.034 13.898 19.332 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.810 12.124 17.890 1.00 0.00 H new ATOM 0 HE3 TRP A 30 3.015 13.304 22.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.384 10.661 18.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.266 11.682 21.665 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.405 10.385 19.610 1.00 0.00 H new ATOM 506 N THR A 31 4.932 17.782 23.352 1.00 0.00 N ATOM 507 CA THR A 31 4.653 18.425 24.625 1.00 0.00 C ATOM 508 C THR A 31 3.173 18.802 24.719 1.00 0.00 C ATOM 509 O THR A 31 2.527 18.549 25.734 1.00 0.00 O ATOM 510 CB THR A 31 5.595 19.622 24.767 1.00 0.00 C ATOM 511 OG1 THR A 31 6.361 19.325 25.931 1.00 0.00 O ATOM 512 CG2 THR A 31 4.855 20.911 25.127 1.00 0.00 C ATOM 0 H THR A 31 5.434 18.364 22.681 1.00 0.00 H new ATOM 0 HA THR A 31 4.837 17.748 25.459 1.00 0.00 H new ATOM 0 HB THR A 31 6.141 19.766 23.835 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.000 20.050 26.096 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.570 21.729 25.216 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.131 21.145 24.346 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.335 20.779 26.076 1.00 0.00 H new ATOM 520 N LEU A 32 2.679 19.402 23.645 1.00 0.00 N ATOM 521 CA LEU A 32 1.288 19.817 23.594 1.00 0.00 C ATOM 522 C LEU A 32 0.393 18.631 23.960 1.00 0.00 C ATOM 523 O LEU A 32 -0.738 18.817 24.407 1.00 0.00 O ATOM 524 CB LEU A 32 0.963 20.435 22.232 1.00 0.00 C ATOM 525 CG LEU A 32 0.114 19.577 21.292 1.00 0.00 C ATOM 526 CD1 LEU A 32 0.860 18.304 20.887 1.00 0.00 C ATOM 527 CD2 LEU A 32 -1.251 19.270 21.912 1.00 0.00 C ATOM 0 H LEU A 32 3.218 19.610 22.804 1.00 0.00 H new ATOM 0 HA LEU A 32 1.097 20.600 24.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.444 21.379 22.398 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.901 20.671 21.729 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.068 20.147 20.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.234 17.712 20.219 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.785 18.571 20.376 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.093 17.720 21.777 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.834 18.659 21.223 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.112 18.729 22.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.780 20.203 22.107 1.00 0.00 H new ATOM 539 N ILE A 33 0.932 17.438 23.757 1.00 0.00 N ATOM 540 CA ILE A 33 0.197 16.223 24.060 1.00 0.00 C ATOM 541 C ILE A 33 0.130 16.037 25.577 1.00 0.00 C ATOM 542 O ILE A 33 -0.932 15.742 26.124 1.00 0.00 O ATOM 543 CB ILE A 33 0.805 15.029 23.321 1.00 0.00 C ATOM 544 CG1 ILE A 33 0.483 15.087 21.826 1.00 0.00 C ATOM 545 CG2 ILE A 33 0.361 13.708 23.952 1.00 0.00 C ATOM 546 CD1 ILE A 33 1.675 15.619 21.028 1.00 0.00 C ATOM 0 H ILE A 33 1.870 17.287 23.386 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.830 16.301 23.702 1.00 0.00 H new ATOM 0 HB ILE A 33 1.889 15.084 23.419 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.217 14.092 21.469 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.384 15.727 21.662 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.808 12.876 23.407 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.684 13.675 24.993 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.725 13.630 23.906 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.419 15.650 19.969 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.923 16.623 21.371 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.533 14.963 21.175 1.00 0.00 H new ATOM 558 N ALA A 34 1.277 16.217 26.214 1.00 0.00 N ATOM 559 CA ALA A 34 1.363 16.074 27.658 1.00 0.00 C ATOM 560 C ALA A 34 1.300 17.457 28.308 1.00 0.00 C ATOM 561 O ALA A 34 1.734 17.632 29.446 1.00 0.00 O ATOM 562 CB ALA A 34 2.641 15.316 28.021 1.00 0.00 C ATOM 0 H ALA A 34 2.156 16.461 25.757 1.00 0.00 H new ATOM 0 HA ALA A 34 0.522 15.494 28.037 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.705 15.209 29.104 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.622 14.329 27.559 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.508 15.869 27.659 1.00 0.00 H new ATOM 568 N LYS A 35 0.756 18.404 27.558 1.00 0.00 N ATOM 569 CA LYS A 35 0.631 19.767 28.048 1.00 0.00 C ATOM 570 C LYS A 35 -0.849 20.152 28.099 1.00 0.00 C ATOM 571 O LYS A 35 -1.267 20.907 28.975 1.00 0.00 O ATOM 572 CB LYS A 35 1.486 20.718 27.208 1.00 0.00 C ATOM 573 CG LYS A 35 1.690 22.053 27.929 1.00 0.00 C ATOM 574 CD LYS A 35 2.570 22.992 27.103 1.00 0.00 C ATOM 575 CE LYS A 35 1.765 23.659 25.986 1.00 0.00 C ATOM 576 NZ LYS A 35 2.658 24.079 24.883 1.00 0.00 N ATOM 0 H LYS A 35 0.397 18.255 26.615 1.00 0.00 H new ATOM 0 HA LYS A 35 1.016 19.844 29.065 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.453 20.259 27.004 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.006 20.890 26.245 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.724 22.522 28.113 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.150 21.879 28.902 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.001 23.755 27.751 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.401 22.433 26.673 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.012 22.967 25.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.233 24.525 26.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.095 24.530 24.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.360 24.756 25.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.147 23.247 24.496 1.00 0.00 H new ATOM 590 N HIS A 36 -1.600 19.615 27.149 1.00 0.00 N ATOM 591 CA HIS A 36 -3.024 19.893 27.075 1.00 0.00 C ATOM 592 C HIS A 36 -3.781 18.951 28.015 1.00 0.00 C ATOM 593 O HIS A 36 -4.996 19.062 28.164 1.00 0.00 O ATOM 594 CB HIS A 36 -3.519 19.812 25.630 1.00 0.00 C ATOM 595 CG HIS A 36 -2.807 20.748 24.683 1.00 0.00 C ATOM 596 ND1 HIS A 36 -1.501 21.140 24.631 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -3.451 21.396 23.643 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -1.355 21.979 23.614 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -2.563 22.140 23.000 1.00 0.00 N flip ATOM 0 H HIS A 36 -1.249 18.989 26.424 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.216 20.913 27.407 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.399 18.789 25.272 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.586 20.033 25.609 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.499 21.310 23.397 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.432 22.456 23.320 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.750 22.729 22.189 1.00 0.00 H new ATOM 607 N LEU A 37 -3.029 18.046 28.623 1.00 0.00 N ATOM 608 CA LEU A 37 -3.613 17.085 29.544 1.00 0.00 C ATOM 609 C LEU A 37 -2.597 16.750 30.637 1.00 0.00 C ATOM 610 O LEU A 37 -1.541 16.184 30.356 1.00 0.00 O ATOM 611 CB LEU A 37 -4.128 15.860 28.786 1.00 0.00 C ATOM 612 CG LEU A 37 -4.650 16.118 27.371 1.00 0.00 C ATOM 613 CD1 LEU A 37 -4.524 14.864 26.503 1.00 0.00 C ATOM 614 CD2 LEU A 37 -6.084 16.651 27.403 1.00 0.00 C ATOM 0 H LEU A 37 -2.021 17.957 28.496 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.484 17.513 30.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.322 15.129 28.727 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.928 15.406 29.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.030 16.890 26.914 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.902 15.075 25.503 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.477 14.568 26.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.103 14.055 26.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.430 16.826 26.384 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.733 15.921 27.886 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.112 17.587 27.961 1.00 0.00 H new ATOM 626 N LYS A 38 -2.950 17.112 31.861 1.00 0.00 N ATOM 627 CA LYS A 38 -2.082 16.857 32.998 1.00 0.00 C ATOM 628 C LYS A 38 -2.760 15.859 33.938 1.00 0.00 C ATOM 629 O LYS A 38 -3.978 15.888 34.106 1.00 0.00 O ATOM 630 CB LYS A 38 -1.686 18.170 33.676 1.00 0.00 C ATOM 631 CG LYS A 38 -2.673 18.532 34.788 1.00 0.00 C ATOM 632 CD LYS A 38 -4.044 18.889 34.209 1.00 0.00 C ATOM 633 CE LYS A 38 -4.786 19.868 35.120 1.00 0.00 C ATOM 634 NZ LYS A 38 -4.671 21.249 34.600 1.00 0.00 N ATOM 0 H LYS A 38 -3.826 17.581 32.091 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.148 16.402 32.669 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.682 18.081 34.091 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.656 18.971 32.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.773 17.694 35.478 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.286 19.374 35.363 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.921 19.329 33.219 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.637 17.983 34.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.836 19.585 35.189 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.376 19.818 36.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.180 21.901 35.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.668 21.521 34.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.084 21.296 33.647 1.00 0.00 H new ATOM 648 N GLY A 39 -1.942 14.999 34.527 1.00 0.00 N ATOM 649 CA GLY A 39 -2.448 13.994 35.447 1.00 0.00 C ATOM 650 C GLY A 39 -1.808 12.631 35.175 1.00 0.00 C ATOM 651 O GLY A 39 -1.891 11.726 36.004 1.00 0.00 O ATOM 0 H GLY A 39 -0.932 14.977 34.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.242 14.298 36.473 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.531 13.918 35.348 1.00 0.00 H new ATOM 655 N ARG A 40 -1.185 12.527 34.010 1.00 0.00 N ATOM 656 CA ARG A 40 -0.532 11.289 33.619 1.00 0.00 C ATOM 657 C ARG A 40 0.318 11.511 32.366 1.00 0.00 C ATOM 658 O ARG A 40 0.372 12.620 31.837 1.00 0.00 O ATOM 659 CB ARG A 40 -1.558 10.189 33.342 1.00 0.00 C ATOM 660 CG ARG A 40 -1.560 9.147 34.462 1.00 0.00 C ATOM 661 CD ARG A 40 -1.120 7.778 33.939 1.00 0.00 C ATOM 662 NE ARG A 40 -1.940 6.712 34.558 1.00 0.00 N ATOM 663 CZ ARG A 40 -1.895 6.389 35.857 1.00 0.00 C ATOM 664 NH1 ARG A 40 -1.070 7.047 36.683 1.00 0.00 N ATOM 665 NH2 ARG A 40 -2.675 5.408 36.331 1.00 0.00 N ATOM 0 H ARG A 40 -1.119 13.279 33.325 1.00 0.00 H new ATOM 0 HA ARG A 40 0.106 10.975 34.445 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.551 10.628 33.247 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.331 9.706 32.391 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.892 9.466 35.262 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.559 9.072 34.892 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.223 7.744 32.854 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.066 7.615 34.165 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.579 6.191 33.958 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.476 7.794 36.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.036 6.801 37.672 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.303 4.907 35.702 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.641 5.162 37.320 1.00 0.00 H new ATOM 679 N LEU A 41 0.961 10.438 31.929 1.00 0.00 N ATOM 680 CA LEU A 41 1.807 10.502 30.749 1.00 0.00 C ATOM 681 C LEU A 41 0.943 10.812 29.525 1.00 0.00 C ATOM 682 O LEU A 41 -0.274 10.953 29.638 1.00 0.00 O ATOM 683 CB LEU A 41 2.631 9.221 30.611 1.00 0.00 C ATOM 684 CG LEU A 41 4.011 9.237 31.271 1.00 0.00 C ATOM 685 CD1 LEU A 41 4.998 10.077 30.458 1.00 0.00 C ATOM 686 CD2 LEU A 41 3.919 9.708 32.724 1.00 0.00 C ATOM 0 H LEU A 41 0.913 9.520 32.371 1.00 0.00 H new ATOM 0 HA LEU A 41 2.531 11.311 30.842 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.057 8.396 31.034 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.760 9.008 29.550 1.00 0.00 H new ATOM 0 HG LEU A 41 4.393 8.216 31.287 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.971 10.072 30.949 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.095 9.657 29.457 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.632 11.102 30.388 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.914 9.710 33.170 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.506 10.716 32.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.272 9.034 33.285 1.00 0.00 H new ATOM 698 N GLY A 42 1.606 10.909 28.382 1.00 0.00 N ATOM 699 CA GLY A 42 0.915 11.200 27.137 1.00 0.00 C ATOM 700 C GLY A 42 0.016 10.033 26.724 1.00 0.00 C ATOM 701 O GLY A 42 -0.981 9.748 27.385 1.00 0.00 O ATOM 0 H GLY A 42 2.615 10.791 28.292 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.315 12.103 27.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.643 11.399 26.351 1.00 0.00 H new ATOM 705 N LYS A 43 0.402 9.390 25.632 1.00 0.00 N ATOM 706 CA LYS A 43 -0.356 8.260 25.122 1.00 0.00 C ATOM 707 C LYS A 43 0.422 7.602 23.980 1.00 0.00 C ATOM 708 O LYS A 43 0.134 7.844 22.809 1.00 0.00 O ATOM 709 CB LYS A 43 -1.770 8.695 24.732 1.00 0.00 C ATOM 710 CG LYS A 43 -2.748 7.521 24.811 1.00 0.00 C ATOM 711 CD LYS A 43 -2.588 6.592 23.606 1.00 0.00 C ATOM 712 CE LYS A 43 -3.952 6.169 23.056 1.00 0.00 C ATOM 713 NZ LYS A 43 -4.171 6.746 21.711 1.00 0.00 N ATOM 0 H LYS A 43 1.230 9.630 25.086 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.482 7.505 25.898 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.103 9.495 25.393 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.763 9.100 23.720 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.577 6.962 25.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.770 7.897 24.852 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.018 7.097 22.826 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.019 5.709 23.896 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.009 5.082 23.005 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.741 6.498 23.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.806 6.127 21.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.601 7.688 21.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.260 6.828 21.216 1.00 0.00 H new ATOM 727 N GLN A 44 1.392 6.784 24.361 1.00 0.00 N ATOM 728 CA GLN A 44 2.213 6.091 23.384 1.00 0.00 C ATOM 729 C GLN A 44 2.553 7.022 22.219 1.00 0.00 C ATOM 730 O GLN A 44 1.797 7.115 21.253 1.00 0.00 O ATOM 731 CB GLN A 44 1.519 4.821 22.887 1.00 0.00 C ATOM 732 CG GLN A 44 2.209 3.569 23.431 1.00 0.00 C ATOM 733 CD GLN A 44 1.182 2.522 23.866 1.00 0.00 C ATOM 734 OE1 GLN A 44 0.732 2.490 24.999 1.00 0.00 O ATOM 735 NE2 GLN A 44 0.839 1.669 22.905 1.00 0.00 N ATOM 0 H GLN A 44 1.628 6.586 25.333 1.00 0.00 H new ATOM 0 HA GLN A 44 3.143 5.792 23.867 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.474 4.828 23.197 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.528 4.801 21.797 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.861 3.148 22.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.841 3.837 24.277 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.254 1.752 21.977 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.161 0.932 23.096 1.00 0.00 H new ATOM 744 N CYS A 45 3.690 7.690 22.349 1.00 0.00 N ATOM 745 CA CYS A 45 4.139 8.611 21.319 1.00 0.00 C ATOM 746 C CYS A 45 4.790 7.798 20.198 1.00 0.00 C ATOM 747 O CYS A 45 5.191 6.655 20.409 1.00 0.00 O ATOM 748 CB CYS A 45 5.089 9.670 21.882 1.00 0.00 C ATOM 749 SG CYS A 45 6.729 8.928 22.211 1.00 0.00 S ATOM 0 H CYS A 45 4.314 7.612 23.152 1.00 0.00 H new ATOM 0 HA CYS A 45 3.285 9.159 20.920 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.189 10.494 21.175 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.678 10.087 22.802 1.00 0.00 H new ATOM 0 HG CYS A 45 7.529 9.836 22.687 1.00 0.00 H new ATOM 755 N ARG A 46 4.875 8.421 19.032 1.00 0.00 N ATOM 756 CA ARG A 46 5.471 7.770 17.878 1.00 0.00 C ATOM 757 C ARG A 46 5.120 6.280 17.869 1.00 0.00 C ATOM 758 O ARG A 46 5.935 5.445 18.257 1.00 0.00 O ATOM 759 CB ARG A 46 6.993 7.928 17.880 1.00 0.00 C ATOM 760 CG ARG A 46 7.498 8.349 19.262 1.00 0.00 C ATOM 761 CD ARG A 46 9.026 8.419 19.289 1.00 0.00 C ATOM 762 NE ARG A 46 9.592 7.065 19.482 1.00 0.00 N ATOM 763 CZ ARG A 46 10.853 6.727 19.181 1.00 0.00 C ATOM 764 NH1 ARG A 46 11.688 7.643 18.670 1.00 0.00 N ATOM 765 NH2 ARG A 46 11.280 5.474 19.390 1.00 0.00 N ATOM 0 H ARG A 46 4.541 9.370 18.862 1.00 0.00 H new ATOM 0 HA ARG A 46 5.069 8.248 16.984 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.460 6.987 17.589 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.286 8.672 17.139 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.081 9.321 19.525 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.150 7.639 20.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.395 8.847 18.357 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.354 9.077 20.094 1.00 0.00 H new ATOM 0 HE ARG A 46 8.983 6.344 19.869 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.363 8.597 18.511 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.648 7.386 18.441 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.645 4.777 19.778 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.240 5.217 19.161 1.00 0.00 H new ATOM 779 N GLU A 47 3.907 5.994 17.421 1.00 0.00 N ATOM 780 CA GLU A 47 3.438 4.620 17.357 1.00 0.00 C ATOM 781 C GLU A 47 2.040 4.564 16.737 1.00 0.00 C ATOM 782 O GLU A 47 1.173 3.837 17.218 1.00 0.00 O ATOM 783 CB GLU A 47 3.450 3.971 18.742 1.00 0.00 C ATOM 784 CG GLU A 47 4.430 2.797 18.789 1.00 0.00 C ATOM 785 CD GLU A 47 4.069 1.826 19.915 1.00 0.00 C ATOM 786 OE1 GLU A 47 4.120 2.268 21.083 1.00 0.00 O ATOM 787 OE2 GLU A 47 3.750 0.664 19.582 1.00 0.00 O ATOM 0 H GLU A 47 3.234 6.690 17.099 1.00 0.00 H new ATOM 0 HA GLU A 47 4.119 4.054 16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.728 4.711 19.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.448 3.623 18.993 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.420 2.272 17.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.443 3.170 18.937 1.00 0.00 H new ATOM 794 N ARG A 48 1.865 5.343 15.679 1.00 0.00 N ATOM 795 CA ARG A 48 0.587 5.392 14.989 1.00 0.00 C ATOM 796 C ARG A 48 0.697 6.254 13.730 1.00 0.00 C ATOM 797 O ARG A 48 0.122 5.923 12.695 1.00 0.00 O ATOM 798 CB ARG A 48 -0.507 5.960 15.895 1.00 0.00 C ATOM 799 CG ARG A 48 -1.512 4.875 16.287 1.00 0.00 C ATOM 800 CD ARG A 48 -2.552 4.667 15.184 1.00 0.00 C ATOM 801 NE ARG A 48 -2.405 3.315 14.599 1.00 0.00 N ATOM 802 CZ ARG A 48 -3.239 2.796 13.688 1.00 0.00 C ATOM 803 NH1 ARG A 48 -4.284 3.512 13.252 1.00 0.00 N ATOM 804 NH2 ARG A 48 -3.028 1.561 13.213 1.00 0.00 N ATOM 0 H ARG A 48 2.587 5.945 15.283 1.00 0.00 H new ATOM 0 HA ARG A 48 0.320 4.372 14.713 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.057 6.385 16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.024 6.771 15.382 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.987 3.939 16.478 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.011 5.155 17.215 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.556 4.789 15.591 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.428 5.423 14.409 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.620 2.743 14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.445 4.452 13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.919 3.117 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.232 1.016 13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.663 1.166 12.519 1.00 0.00 H new ATOM 818 N TRP A 49 1.438 7.345 13.861 1.00 0.00 N ATOM 819 CA TRP A 49 1.630 8.257 12.747 1.00 0.00 C ATOM 820 C TRP A 49 3.105 8.206 12.342 1.00 0.00 C ATOM 821 O TRP A 49 3.459 8.582 11.226 1.00 0.00 O ATOM 822 CB TRP A 49 1.158 9.668 13.106 1.00 0.00 C ATOM 823 CG TRP A 49 0.924 9.884 14.602 1.00 0.00 C ATOM 824 CD1 TRP A 49 1.765 9.630 15.614 1.00 0.00 C ATOM 825 CD2 TRP A 49 -0.270 10.412 15.219 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.204 9.954 16.832 1.00 0.00 N ATOM 827 CE2 TRP A 49 -0.073 10.445 16.584 1.00 0.00 C ATOM 828 CE3 TRP A 49 -1.475 10.847 14.641 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -1.039 10.905 17.487 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -2.431 11.304 15.557 1.00 0.00 C ATOM 831 CH2 TRP A 49 -2.248 11.344 16.934 1.00 0.00 C ATOM 0 H TRP A 49 1.912 7.617 14.722 1.00 0.00 H new ATOM 0 HA TRP A 49 1.024 7.955 11.893 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.899 10.388 12.757 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.232 9.878 12.570 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.758 9.223 15.491 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.645 9.852 17.746 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.650 10.830 13.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -0.861 10.920 18.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.377 11.649 15.166 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.035 11.712 17.575 1.00 0.00 H new ATOM 842 N HIS A 50 3.924 7.737 13.272 1.00 0.00 N ATOM 843 CA HIS A 50 5.352 7.631 13.025 1.00 0.00 C ATOM 844 C HIS A 50 5.670 6.258 12.429 1.00 0.00 C ATOM 845 O HIS A 50 6.454 6.153 11.487 1.00 0.00 O ATOM 846 CB HIS A 50 6.146 7.921 14.301 1.00 0.00 C ATOM 847 CG HIS A 50 6.686 9.329 14.381 1.00 0.00 C ATOM 848 ND1 HIS A 50 7.684 9.799 13.545 1.00 0.00 N ATOM 849 CD2 HIS A 50 6.355 10.365 15.205 1.00 0.00 C ATOM 850 CE1 HIS A 50 7.935 11.061 13.862 1.00 0.00 C ATOM 851 NE2 HIS A 50 7.111 11.409 14.891 1.00 0.00 N ATOM 0 H HIS A 50 3.626 7.426 14.197 1.00 0.00 H new ATOM 0 HA HIS A 50 5.656 8.383 12.297 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.506 7.739 15.164 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.978 7.219 14.367 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.605 10.339 15.981 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.664 11.701 13.388 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.081 12.322 15.345 1.00 0.00 H new ATOM 859 N ASN A 51 5.045 5.240 13.002 1.00 0.00 N ATOM 860 CA ASN A 51 5.251 3.879 12.538 1.00 0.00 C ATOM 861 C ASN A 51 3.974 3.376 11.861 1.00 0.00 C ATOM 862 O ASN A 51 3.081 2.852 12.525 1.00 0.00 O ATOM 863 CB ASN A 51 5.568 2.942 13.706 1.00 0.00 C ATOM 864 CG ASN A 51 6.653 3.535 14.606 1.00 0.00 C ATOM 865 OD1 ASN A 51 6.234 4.543 15.366 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 7.795 3.106 14.611 1.00 0.00 N flip ATOM 0 H ASN A 51 4.396 5.331 13.783 1.00 0.00 H new ATOM 0 HA ASN A 51 6.089 3.883 11.841 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.665 2.763 14.289 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.896 1.976 13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.050 2.329 14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.494 3.525 15.224 1.00 0.00 H new ATOM 1023 N SER A 61 11.855 3.372 -9.982 1.00 0.00 N ATOM 1024 CA SER A 61 12.791 2.261 -9.943 1.00 0.00 C ATOM 1025 C SER A 61 12.031 0.942 -9.791 1.00 0.00 C ATOM 1026 O SER A 61 10.889 0.824 -10.234 1.00 0.00 O ATOM 1027 CB SER A 61 13.798 2.428 -8.804 1.00 0.00 C ATOM 1028 OG SER A 61 15.097 1.971 -9.168 1.00 0.00 O ATOM 0 HA SER A 61 13.345 2.248 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.850 3.478 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.451 1.876 -7.930 1.00 0.00 H new ATOM 0 HG SER A 61 15.711 2.096 -8.414 1.00 0.00 H new ATOM 1034 N TRP A 62 12.694 -0.017 -9.162 1.00 0.00 N ATOM 1035 CA TRP A 62 12.095 -1.323 -8.945 1.00 0.00 C ATOM 1036 C TRP A 62 10.866 -1.138 -8.053 1.00 0.00 C ATOM 1037 O TRP A 62 10.618 -0.042 -7.552 1.00 0.00 O ATOM 1038 CB TRP A 62 13.114 -2.304 -8.362 1.00 0.00 C ATOM 1039 CG TRP A 62 14.435 -2.360 -9.132 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.556 -1.664 -8.899 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.729 -3.189 -10.276 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.547 -1.982 -9.805 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.028 -2.939 -10.669 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.923 -4.119 -10.956 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.636 -3.579 -11.756 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.546 -4.750 -12.040 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.853 -4.510 -12.449 1.00 0.00 C ATOM 0 H TRP A 62 13.640 0.084 -8.796 1.00 0.00 H new ATOM 0 HA TRP A 62 11.776 -1.762 -9.890 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.319 -2.027 -7.328 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.674 -3.301 -8.343 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.670 -0.944 -8.102 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.487 -1.587 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.904 -4.330 -10.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.655 -3.366 -12.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.971 -5.474 -12.598 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.262 -5.039 -13.297 1.00 0.00 H new ATOM 1058 N THR A 63 10.129 -2.225 -7.881 1.00 0.00 N ATOM 1059 CA THR A 63 8.932 -2.196 -7.058 1.00 0.00 C ATOM 1060 C THR A 63 8.886 -3.419 -6.140 1.00 0.00 C ATOM 1061 O THR A 63 9.906 -4.069 -5.915 1.00 0.00 O ATOM 1062 CB THR A 63 7.721 -2.089 -7.988 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.893 -3.165 -8.907 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.767 -0.838 -8.867 1.00 0.00 C ATOM 0 H THR A 63 10.338 -3.132 -8.298 1.00 0.00 H new ATOM 0 HA THR A 63 8.929 -1.331 -6.395 1.00 0.00 H new ATOM 0 HB THR A 63 6.807 -2.082 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.215 -3.852 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.885 -0.811 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.784 0.050 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.664 -0.861 -9.486 1.00 0.00 H new ATOM 1072 N GLU A 64 7.693 -3.694 -5.633 1.00 0.00 N ATOM 1073 CA GLU A 64 7.502 -4.827 -4.744 1.00 0.00 C ATOM 1074 C GLU A 64 7.522 -6.135 -5.538 1.00 0.00 C ATOM 1075 O GLU A 64 8.519 -6.855 -5.528 1.00 0.00 O ATOM 1076 CB GLU A 64 6.200 -4.687 -3.951 1.00 0.00 C ATOM 1077 CG GLU A 64 6.417 -3.859 -2.683 1.00 0.00 C ATOM 1078 CD GLU A 64 6.739 -4.758 -1.488 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.994 -5.746 -1.304 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.722 -4.439 -0.785 1.00 0.00 O ATOM 0 H GLU A 64 6.850 -3.152 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 64 8.325 -4.846 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.440 -4.214 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.824 -5.675 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.232 -3.153 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.523 -3.272 -2.470 1.00 0.00 H new ATOM 1087 N GLU A 65 6.410 -6.401 -6.206 1.00 0.00 N ATOM 1088 CA GLU A 65 6.288 -7.609 -7.004 1.00 0.00 C ATOM 1089 C GLU A 65 7.557 -7.831 -7.829 1.00 0.00 C ATOM 1090 O GLU A 65 8.043 -8.956 -7.937 1.00 0.00 O ATOM 1091 CB GLU A 65 5.052 -7.549 -7.905 1.00 0.00 C ATOM 1092 CG GLU A 65 3.772 -7.445 -7.073 1.00 0.00 C ATOM 1093 CD GLU A 65 2.631 -8.231 -7.722 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.106 -7.733 -8.741 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.310 -9.313 -7.183 1.00 0.00 O ATOM 0 H GLU A 65 5.585 -5.801 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 65 6.164 -8.456 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.126 -6.691 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.011 -8.440 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.955 -7.826 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.485 -6.399 -6.970 1.00 0.00 H new ATOM 1102 N GLU A 66 8.059 -6.740 -8.390 1.00 0.00 N ATOM 1103 CA GLU A 66 9.262 -6.802 -9.202 1.00 0.00 C ATOM 1104 C GLU A 66 10.439 -7.312 -8.368 1.00 0.00 C ATOM 1105 O GLU A 66 11.311 -8.012 -8.881 1.00 0.00 O ATOM 1106 CB GLU A 66 9.578 -5.438 -9.818 1.00 0.00 C ATOM 1107 CG GLU A 66 8.646 -5.139 -10.994 1.00 0.00 C ATOM 1108 CD GLU A 66 9.416 -4.512 -12.158 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.468 -5.084 -12.516 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.935 -3.475 -12.664 1.00 0.00 O ATOM 0 H GLU A 66 7.654 -5.808 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 66 9.090 -7.502 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.475 -4.660 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.614 -5.419 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.166 -6.060 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.853 -4.464 -10.672 1.00 0.00 H new ATOM 1117 N ASP A 67 10.426 -6.943 -7.096 1.00 0.00 N ATOM 1118 CA ASP A 67 11.482 -7.354 -6.186 1.00 0.00 C ATOM 1119 C ASP A 67 11.472 -8.879 -6.057 1.00 0.00 C ATOM 1120 O ASP A 67 12.482 -9.533 -6.310 1.00 0.00 O ATOM 1121 CB ASP A 67 11.270 -6.760 -4.792 1.00 0.00 C ATOM 1122 CG ASP A 67 12.552 -6.505 -3.996 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.102 -7.498 -3.472 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.953 -5.323 -3.930 1.00 0.00 O ATOM 0 H ASP A 67 9.701 -6.364 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 67 12.431 -7.000 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.730 -5.819 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.633 -7.434 -4.219 1.00 0.00 H new ATOM 1129 N ARG A 68 10.319 -9.400 -5.663 1.00 0.00 N ATOM 1130 CA ARG A 68 10.165 -10.835 -5.497 1.00 0.00 C ATOM 1131 C ARG A 68 10.506 -11.560 -6.801 1.00 0.00 C ATOM 1132 O ARG A 68 11.394 -12.410 -6.828 1.00 0.00 O ATOM 1133 CB ARG A 68 8.736 -11.191 -5.083 1.00 0.00 C ATOM 1134 CG ARG A 68 8.419 -10.650 -3.687 1.00 0.00 C ATOM 1135 CD ARG A 68 7.765 -11.726 -2.817 1.00 0.00 C ATOM 1136 NE ARG A 68 8.642 -12.915 -2.739 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.805 -12.948 -2.075 1.00 0.00 C ATOM 1138 NH1 ARG A 68 10.239 -11.858 -1.429 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.535 -14.072 -2.058 1.00 0.00 N ATOM 0 H ARG A 68 9.483 -8.854 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 68 10.849 -11.153 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.031 -10.779 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.609 -12.274 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.336 -10.301 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.754 -9.790 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.580 -11.334 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.797 -12.004 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 68 8.342 -13.763 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.684 -11.002 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.125 -11.884 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.205 -14.902 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.421 -14.097 -1.553 1.00 0.00 H new ATOM 1153 N ILE A 69 9.781 -11.197 -7.849 1.00 0.00 N ATOM 1154 CA ILE A 69 9.996 -11.802 -9.152 1.00 0.00 C ATOM 1155 C ILE A 69 11.495 -12.016 -9.370 1.00 0.00 C ATOM 1156 O ILE A 69 11.930 -13.126 -9.673 1.00 0.00 O ATOM 1157 CB ILE A 69 9.328 -10.968 -10.247 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.807 -10.961 -10.081 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.751 -11.447 -11.637 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.164 -9.887 -10.961 1.00 0.00 C ATOM 0 H ILE A 69 9.045 -10.492 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 69 9.524 -12.783 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 69 9.667 -9.937 -10.145 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.405 -11.940 -10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.552 -10.781 -9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.262 -10.837 -12.396 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.832 -11.356 -11.740 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.461 -12.490 -11.766 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.083 -9.904 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.550 -8.907 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.400 -10.084 -12.007 1.00 0.00 H new ATOM 1172 N ILE A 70 12.244 -10.935 -9.207 1.00 0.00 N ATOM 1173 CA ILE A 70 13.686 -10.990 -9.382 1.00 0.00 C ATOM 1174 C ILE A 70 14.260 -12.099 -8.497 1.00 0.00 C ATOM 1175 O ILE A 70 14.701 -13.132 -8.999 1.00 0.00 O ATOM 1176 CB ILE A 70 14.309 -9.616 -9.129 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.629 -8.541 -9.979 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.822 -9.651 -9.352 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.508 -8.145 -11.168 1.00 0.00 C ATOM 0 H ILE A 70 11.880 -10.016 -8.956 1.00 0.00 H new ATOM 0 HA ILE A 70 13.936 -11.242 -10.412 1.00 0.00 H new ATOM 0 HB ILE A 70 14.144 -9.353 -8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.669 -8.910 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.423 -7.664 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.240 -8.662 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.274 -10.371 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.031 -9.946 -10.380 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.001 -7.380 -11.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.458 -7.753 -10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.691 -9.020 -11.792 1.00 0.00 H new ATOM 1191 N PHE A 71 14.237 -11.846 -7.197 1.00 0.00 N ATOM 1192 CA PHE A 71 14.750 -12.809 -6.238 1.00 0.00 C ATOM 1193 C PHE A 71 14.233 -14.216 -6.544 1.00 0.00 C ATOM 1194 O PHE A 71 14.846 -15.206 -6.149 1.00 0.00 O ATOM 1195 CB PHE A 71 14.243 -12.381 -4.859 1.00 0.00 C ATOM 1196 CG PHE A 71 14.318 -13.482 -3.800 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.405 -14.490 -3.800 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.299 -13.453 -2.857 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.475 -15.512 -2.816 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.369 -14.475 -1.874 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.455 -15.483 -1.874 1.00 0.00 C ATOM 0 H PHE A 71 13.871 -10.988 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 71 15.839 -12.833 -6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.824 -11.524 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.209 -12.049 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.627 -14.513 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.024 -12.653 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.750 -16.312 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.148 -14.452 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.508 -16.260 -1.126 1.00 0.00 H new ATOM 1211 N GLU A 72 13.110 -14.260 -7.246 1.00 0.00 N ATOM 1212 CA GLU A 72 12.504 -15.529 -7.610 1.00 0.00 C ATOM 1213 C GLU A 72 13.265 -16.167 -8.774 1.00 0.00 C ATOM 1214 O GLU A 72 13.788 -17.273 -8.646 1.00 0.00 O ATOM 1215 CB GLU A 72 11.024 -15.351 -7.955 1.00 0.00 C ATOM 1216 CG GLU A 72 10.654 -16.145 -9.209 1.00 0.00 C ATOM 1217 CD GLU A 72 9.137 -16.311 -9.326 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.446 -15.271 -9.263 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.703 -17.473 -9.476 1.00 0.00 O ATOM 0 H GLU A 72 12.604 -13.437 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 72 12.566 -16.198 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.409 -15.680 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.808 -14.294 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.037 -15.635 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.129 -17.125 -9.176 1.00 0.00 H new ATOM 1226 N ALA A 73 13.303 -15.442 -9.882 1.00 0.00 N ATOM 1227 CA ALA A 73 13.992 -15.923 -11.067 1.00 0.00 C ATOM 1228 C ALA A 73 15.456 -16.203 -10.723 1.00 0.00 C ATOM 1229 O ALA A 73 16.101 -17.032 -11.363 1.00 0.00 O ATOM 1230 CB ALA A 73 13.843 -14.900 -12.195 1.00 0.00 C ATOM 0 H ALA A 73 12.868 -14.525 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 73 13.551 -16.857 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.360 -15.261 -13.084 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.786 -14.760 -12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.277 -13.950 -11.884 1.00 0.00 H new ATOM 1236 N HIS A 74 15.939 -15.494 -9.713 1.00 0.00 N ATOM 1237 CA HIS A 74 17.315 -15.655 -9.276 1.00 0.00 C ATOM 1238 C HIS A 74 17.445 -16.937 -8.452 1.00 0.00 C ATOM 1239 O HIS A 74 18.550 -17.436 -8.243 1.00 0.00 O ATOM 1240 CB HIS A 74 17.794 -14.414 -8.521 1.00 0.00 C ATOM 1241 CG HIS A 74 19.288 -14.198 -8.578 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.145 -14.618 -7.575 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.067 -13.604 -9.527 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.381 -14.285 -7.916 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.331 -13.657 -9.125 1.00 0.00 N ATOM 0 H HIS A 74 15.402 -14.807 -9.185 1.00 0.00 H new ATOM 0 HA HIS A 74 17.967 -15.755 -10.144 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.295 -13.536 -8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.489 -14.496 -7.478 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.715 -13.165 -10.449 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.272 -14.477 -7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.133 -13.289 -9.636 1.00 0.00 H new ATOM 1253 N LYS A 75 16.301 -17.434 -8.006 1.00 0.00 N ATOM 1254 CA LYS A 75 16.273 -18.649 -7.209 1.00 0.00 C ATOM 1255 C LYS A 75 15.835 -19.821 -8.090 1.00 0.00 C ATOM 1256 O LYS A 75 15.513 -20.896 -7.584 1.00 0.00 O ATOM 1257 CB LYS A 75 15.403 -18.455 -5.966 1.00 0.00 C ATOM 1258 CG LYS A 75 14.028 -19.100 -6.153 1.00 0.00 C ATOM 1259 CD LYS A 75 13.038 -18.597 -5.100 1.00 0.00 C ATOM 1260 CE LYS A 75 11.956 -19.641 -4.821 1.00 0.00 C ATOM 1261 NZ LYS A 75 12.560 -20.888 -4.300 1.00 0.00 N ATOM 0 H LYS A 75 15.386 -17.018 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 75 17.270 -18.884 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.899 -18.892 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.285 -17.391 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.649 -18.875 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.118 -20.184 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.570 -18.364 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.575 -17.672 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.240 -19.247 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.402 -19.853 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.898 -21.345 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.761 -21.533 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.445 -20.663 -3.803 1.00 0.00 H new ATOM 1275 N VAL A 76 15.835 -19.575 -9.391 1.00 0.00 N ATOM 1276 CA VAL A 76 15.442 -20.596 -10.347 1.00 0.00 C ATOM 1277 C VAL A 76 16.592 -20.844 -11.325 1.00 0.00 C ATOM 1278 O VAL A 76 16.864 -21.986 -11.692 1.00 0.00 O ATOM 1279 CB VAL A 76 14.142 -20.188 -11.044 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.475 -21.393 -11.710 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.186 -19.504 -10.064 1.00 0.00 C ATOM 0 H VAL A 76 16.101 -18.682 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 76 15.240 -21.538 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 76 14.392 -19.470 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.553 -21.075 -12.198 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.150 -21.819 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.245 -22.145 -10.955 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.270 -19.224 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.946 -20.189 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.660 -18.610 -9.657 1.00 0.00 H new ATOM 1291 N LEU A 77 17.237 -19.756 -11.718 1.00 0.00 N ATOM 1292 CA LEU A 77 18.352 -19.841 -12.646 1.00 0.00 C ATOM 1293 C LEU A 77 19.640 -19.432 -11.928 1.00 0.00 C ATOM 1294 O LEU A 77 20.451 -20.284 -11.570 1.00 0.00 O ATOM 1295 CB LEU A 77 18.064 -19.022 -13.906 1.00 0.00 C ATOM 1296 CG LEU A 77 16.588 -18.847 -14.270 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.119 -17.419 -13.988 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.328 -19.260 -15.720 1.00 0.00 C ATOM 0 H LEU A 77 17.009 -18.810 -11.411 1.00 0.00 H new ATOM 0 HA LEU A 77 18.488 -20.868 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.507 -18.034 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.571 -19.495 -14.747 1.00 0.00 H new ATOM 0 HG LEU A 77 15.999 -19.510 -13.636 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.067 -17.322 -14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.246 -17.197 -12.928 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.710 -16.719 -14.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.272 -19.126 -15.953 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.928 -18.642 -16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.599 -20.307 -15.854 1.00 0.00 H new ATOM 1310 N GLY A 78 19.787 -18.129 -11.741 1.00 0.00 N ATOM 1311 CA GLY A 78 20.962 -17.597 -11.072 1.00 0.00 C ATOM 1312 C GLY A 78 21.210 -16.142 -11.474 1.00 0.00 C ATOM 1313 O GLY A 78 20.360 -15.280 -11.255 1.00 0.00 O ATOM 0 H GLY A 78 19.112 -17.426 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.831 -17.662 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.833 -18.201 -11.324 1.00 0.00 H new ATOM 1317 N ASN A 79 22.379 -15.912 -12.054 1.00 0.00 N ATOM 1318 CA ASN A 79 22.749 -14.576 -12.488 1.00 0.00 C ATOM 1319 C ASN A 79 22.297 -14.371 -13.936 1.00 0.00 C ATOM 1320 O ASN A 79 22.819 -13.505 -14.636 1.00 0.00 O ATOM 1321 CB ASN A 79 24.265 -14.379 -12.434 1.00 0.00 C ATOM 1322 CG ASN A 79 24.977 -15.693 -12.102 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.859 -16.686 -12.801 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.719 -15.642 -11.000 1.00 0.00 N ATOM 0 H ASN A 79 23.082 -16.629 -12.233 1.00 0.00 H new ATOM 0 HA ASN A 79 22.268 -13.860 -11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.621 -14.001 -13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.511 -13.628 -11.683 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.234 -16.467 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.773 -14.778 -10.461 1.00 0.00 H new ATOM 1331 N ARG A 80 21.332 -15.183 -14.341 1.00 0.00 N ATOM 1332 CA ARG A 80 20.804 -15.101 -15.692 1.00 0.00 C ATOM 1333 C ARG A 80 19.976 -13.826 -15.863 1.00 0.00 C ATOM 1334 O ARG A 80 18.800 -13.888 -16.218 1.00 0.00 O ATOM 1335 CB ARG A 80 19.931 -16.315 -16.017 1.00 0.00 C ATOM 1336 CG ARG A 80 20.745 -17.404 -16.719 1.00 0.00 C ATOM 1337 CD ARG A 80 21.022 -18.576 -15.776 1.00 0.00 C ATOM 1338 NE ARG A 80 20.912 -19.855 -16.512 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.503 -20.995 -16.131 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.251 -21.023 -15.019 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.348 -22.108 -16.861 1.00 0.00 N ATOM 0 H ARG A 80 20.902 -15.901 -13.758 1.00 0.00 H new ATOM 0 HA ARG A 80 21.651 -15.082 -16.378 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.500 -16.713 -15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.100 -16.010 -16.653 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.204 -17.759 -17.596 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.688 -16.987 -17.073 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.019 -18.479 -15.346 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.314 -18.562 -14.947 1.00 0.00 H new ATOM 0 HE ARG A 80 20.351 -19.869 -17.363 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.370 -20.176 -14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.701 -21.891 -14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.780 -22.088 -17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.799 -22.976 -16.570 1.00 0.00 H new ATOM 1355 N TRP A 81 20.622 -12.699 -15.601 1.00 0.00 N ATOM 1356 CA TRP A 81 19.960 -11.412 -15.721 1.00 0.00 C ATOM 1357 C TRP A 81 19.315 -11.339 -17.107 1.00 0.00 C ATOM 1358 O TRP A 81 18.257 -10.733 -17.272 1.00 0.00 O ATOM 1359 CB TRP A 81 20.938 -10.265 -15.457 1.00 0.00 C ATOM 1360 CG TRP A 81 21.956 -10.558 -14.352 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.287 -10.659 -14.463 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.668 -10.784 -12.956 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.877 -10.933 -13.245 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.860 -11.011 -12.300 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.441 -10.796 -12.271 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.943 -11.267 -10.926 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.540 -11.054 -10.898 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.732 -11.285 -10.223 1.00 0.00 C ATOM 0 H TRP A 81 21.597 -12.651 -15.306 1.00 0.00 H new ATOM 0 HA TRP A 81 19.179 -11.309 -14.967 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.473 -10.038 -16.379 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.372 -9.373 -15.189 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.830 -10.541 -15.389 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.875 -11.056 -13.071 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.496 -10.620 -12.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.889 -11.441 -10.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.626 -11.075 -10.324 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.725 -11.478 -9.160 1.00 0.00 H new ATOM 1379 N ALA A 82 19.979 -11.966 -18.067 1.00 0.00 N ATOM 1380 CA ALA A 82 19.483 -11.980 -19.433 1.00 0.00 C ATOM 1381 C ALA A 82 18.131 -12.696 -19.473 1.00 0.00 C ATOM 1382 O ALA A 82 17.294 -12.402 -20.325 1.00 0.00 O ATOM 1383 CB ALA A 82 20.519 -12.640 -20.345 1.00 0.00 C ATOM 0 H ALA A 82 20.856 -12.468 -17.926 1.00 0.00 H new ATOM 0 HA ALA A 82 19.329 -10.964 -19.796 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.147 -12.651 -21.370 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.452 -12.077 -20.303 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.697 -13.663 -20.013 1.00 0.00 H new ATOM 1389 N GLU A 83 17.960 -13.621 -18.541 1.00 0.00 N ATOM 1390 CA GLU A 83 16.724 -14.381 -18.458 1.00 0.00 C ATOM 1391 C GLU A 83 15.920 -13.955 -17.229 1.00 0.00 C ATOM 1392 O GLU A 83 14.764 -14.347 -17.072 1.00 0.00 O ATOM 1393 CB GLU A 83 17.005 -15.885 -18.435 1.00 0.00 C ATOM 1394 CG GLU A 83 18.142 -16.245 -19.394 1.00 0.00 C ATOM 1395 CD GLU A 83 17.704 -16.082 -20.851 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.503 -16.311 -21.110 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.579 -15.733 -21.671 1.00 0.00 O ATOM 0 H GLU A 83 18.657 -13.862 -17.836 1.00 0.00 H new ATOM 0 HA GLU A 83 16.130 -14.169 -19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.266 -16.194 -17.423 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.104 -16.431 -18.713 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.004 -15.608 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.458 -17.273 -19.219 1.00 0.00 H new ATOM 1404 N ILE A 84 16.562 -13.157 -16.388 1.00 0.00 N ATOM 1405 CA ILE A 84 15.921 -12.674 -15.177 1.00 0.00 C ATOM 1406 C ILE A 84 15.034 -11.475 -15.519 1.00 0.00 C ATOM 1407 O ILE A 84 13.907 -11.375 -15.038 1.00 0.00 O ATOM 1408 CB ILE A 84 16.965 -12.378 -14.099 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.728 -13.238 -12.856 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.001 -10.886 -13.765 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.468 -14.573 -12.964 1.00 0.00 C ATOM 0 H ILE A 84 17.520 -12.833 -16.522 1.00 0.00 H new ATOM 0 HA ILE A 84 15.272 -13.443 -14.757 1.00 0.00 H new ATOM 0 HB ILE A 84 17.946 -12.643 -14.492 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.065 -12.702 -11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.660 -13.419 -12.733 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.752 -10.703 -12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.254 -10.319 -14.661 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.023 -10.571 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.283 -15.165 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.111 -15.117 -13.839 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.538 -14.389 -13.063 1.00 0.00 H new ATOM 1423 N ALA A 85 15.577 -10.595 -16.348 1.00 0.00 N ATOM 1424 CA ALA A 85 14.849 -9.407 -16.760 1.00 0.00 C ATOM 1425 C ALA A 85 13.746 -9.805 -17.744 1.00 0.00 C ATOM 1426 O ALA A 85 12.648 -9.253 -17.708 1.00 0.00 O ATOM 1427 CB ALA A 85 15.825 -8.392 -17.358 1.00 0.00 C ATOM 0 H ALA A 85 16.512 -10.681 -16.745 1.00 0.00 H new ATOM 0 HA ALA A 85 14.371 -8.934 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.279 -7.501 -17.667 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.570 -8.120 -16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.322 -8.831 -18.223 1.00 0.00 H new ATOM 1433 N LYS A 86 14.078 -10.761 -18.600 1.00 0.00 N ATOM 1434 CA LYS A 86 13.129 -11.239 -19.591 1.00 0.00 C ATOM 1435 C LYS A 86 11.957 -11.920 -18.883 1.00 0.00 C ATOM 1436 O LYS A 86 11.809 -13.139 -18.951 1.00 0.00 O ATOM 1437 CB LYS A 86 13.831 -12.132 -20.617 1.00 0.00 C ATOM 1438 CG LYS A 86 14.663 -11.297 -21.592 1.00 0.00 C ATOM 1439 CD LYS A 86 14.997 -12.098 -22.853 1.00 0.00 C ATOM 1440 CE LYS A 86 16.463 -12.533 -22.854 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.901 -12.876 -24.226 1.00 0.00 N ATOM 0 H LYS A 86 14.990 -11.217 -18.628 1.00 0.00 H new ATOM 0 HA LYS A 86 12.717 -10.404 -20.158 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.475 -12.846 -20.103 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.090 -12.710 -21.169 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.114 -10.395 -21.864 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.584 -10.975 -21.106 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.354 -12.976 -22.912 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.793 -11.494 -23.737 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.086 -11.732 -22.456 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.594 -13.394 -22.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.899 -13.169 -24.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.317 -13.655 -24.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.795 -12.045 -24.842 1.00 0.00 H new ATOM 1455 N LEU A 87 11.153 -11.103 -18.218 1.00 0.00 N ATOM 1456 CA LEU A 87 9.999 -11.612 -17.497 1.00 0.00 C ATOM 1457 C LEU A 87 8.939 -10.513 -17.400 1.00 0.00 C ATOM 1458 O LEU A 87 7.754 -10.767 -17.615 1.00 0.00 O ATOM 1459 CB LEU A 87 10.421 -12.180 -16.141 1.00 0.00 C ATOM 1460 CG LEU A 87 10.691 -13.685 -16.099 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.680 -14.034 -14.985 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.385 -14.473 -15.974 1.00 0.00 C ATOM 0 H LEU A 87 11.278 -10.092 -18.164 1.00 0.00 H new ATOM 0 HA LEU A 87 9.549 -12.444 -18.038 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.322 -11.660 -15.816 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.641 -11.950 -15.415 1.00 0.00 H new ATOM 0 HG LEU A 87 11.153 -13.976 -17.042 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.854 -15.110 -14.977 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.622 -13.515 -15.159 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.269 -13.726 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.605 -15.540 -15.946 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.872 -14.184 -15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.746 -14.257 -16.830 1.00 0.00 H new ATOM 1474 N LEU A 88 9.403 -9.314 -17.077 1.00 0.00 N ATOM 1475 CA LEU A 88 8.509 -8.175 -16.949 1.00 0.00 C ATOM 1476 C LEU A 88 8.908 -7.104 -17.966 1.00 0.00 C ATOM 1477 O LEU A 88 10.019 -7.126 -18.493 1.00 0.00 O ATOM 1478 CB LEU A 88 8.485 -7.674 -15.504 1.00 0.00 C ATOM 1479 CG LEU A 88 8.716 -8.731 -14.423 1.00 0.00 C ATOM 1480 CD1 LEU A 88 7.751 -9.907 -14.590 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.177 -9.187 -14.405 1.00 0.00 C ATOM 0 H LEU A 88 10.386 -9.107 -16.900 1.00 0.00 H new ATOM 0 HA LEU A 88 7.484 -8.466 -17.178 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.245 -6.901 -15.396 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.520 -7.200 -15.321 1.00 0.00 H new ATOM 0 HG LEU A 88 8.508 -8.279 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.937 -10.644 -13.809 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.724 -9.549 -14.514 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.904 -10.367 -15.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.314 -9.938 -13.627 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.436 -9.615 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.822 -8.333 -14.201 1.00 0.00 H new ATOM 1493 N PRO A 89 7.955 -6.167 -18.216 1.00 0.00 N ATOM 1494 CA PRO A 89 8.195 -5.088 -19.160 1.00 0.00 C ATOM 1495 C PRO A 89 9.125 -4.032 -18.560 1.00 0.00 C ATOM 1496 O PRO A 89 8.663 -3.059 -17.966 1.00 0.00 O ATOM 1497 CB PRO A 89 6.816 -4.544 -19.496 1.00 0.00 C ATOM 1498 CG PRO A 89 5.897 -5.023 -18.383 1.00 0.00 C ATOM 1499 CD PRO A 89 6.628 -6.109 -17.610 1.00 0.00 C ATOM 0 HA PRO A 89 8.706 -5.424 -20.062 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.828 -3.455 -19.551 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.478 -4.909 -20.466 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.633 -4.196 -17.723 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.966 -5.410 -18.797 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.688 -5.868 -16.549 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.114 -7.067 -17.691 1.00 0.00 H new ATOM 1507 N GLY A 90 10.418 -4.259 -18.737 1.00 0.00 N ATOM 1508 CA GLY A 90 11.417 -3.339 -18.220 1.00 0.00 C ATOM 1509 C GLY A 90 12.705 -4.078 -17.852 1.00 0.00 C ATOM 1510 O GLY A 90 12.659 -5.196 -17.342 1.00 0.00 O ATOM 0 H GLY A 90 10.797 -5.067 -19.231 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.633 -2.574 -18.966 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.024 -2.826 -17.342 1.00 0.00 H new ATOM 1514 N ARG A 91 13.824 -3.423 -18.125 1.00 0.00 N ATOM 1515 CA ARG A 91 15.122 -4.003 -17.829 1.00 0.00 C ATOM 1516 C ARG A 91 15.494 -5.041 -18.890 1.00 0.00 C ATOM 1517 O ARG A 91 14.618 -5.653 -19.498 1.00 0.00 O ATOM 1518 CB ARG A 91 15.127 -4.669 -16.451 1.00 0.00 C ATOM 1519 CG ARG A 91 14.408 -3.798 -15.419 1.00 0.00 C ATOM 1520 CD ARG A 91 14.840 -2.335 -15.540 1.00 0.00 C ATOM 1521 NE ARG A 91 14.023 -1.490 -14.641 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.926 -0.158 -14.744 1.00 0.00 C ATOM 1523 NH1 ARG A 91 14.595 0.490 -15.708 1.00 0.00 N ATOM 1524 NH2 ARG A 91 13.161 0.527 -13.883 1.00 0.00 N ATOM 0 H ARG A 91 13.858 -2.496 -18.548 1.00 0.00 H new ATOM 0 HA ARG A 91 15.854 -3.196 -17.833 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.641 -5.643 -16.512 1.00 0.00 H new ATOM 0 HB3 ARG A 91 16.154 -4.845 -16.132 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.330 -3.875 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.625 -4.163 -14.415 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.895 -2.237 -15.285 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.728 -1.998 -16.571 1.00 0.00 H new ATOM 0 HE ARG A 91 13.501 -1.951 -13.896 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.178 -0.031 -16.363 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.521 1.504 -15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.652 0.034 -13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.087 1.541 -13.962 1.00 0.00 H new ATOM 1538 N THR A 92 16.795 -5.207 -19.079 1.00 0.00 N ATOM 1539 CA THR A 92 17.294 -6.159 -20.057 1.00 0.00 C ATOM 1540 C THR A 92 18.115 -7.250 -19.367 1.00 0.00 C ATOM 1541 O THR A 92 17.871 -8.438 -19.569 1.00 0.00 O ATOM 1542 CB THR A 92 18.081 -5.384 -21.115 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.319 -5.085 -20.476 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.472 -4.011 -21.408 1.00 0.00 C ATOM 0 H THR A 92 17.519 -4.698 -18.571 1.00 0.00 H new ATOM 0 HA THR A 92 16.476 -6.678 -20.557 1.00 0.00 H new ATOM 0 HB THR A 92 18.123 -5.966 -22.035 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.974 -5.782 -20.689 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.069 -3.503 -22.165 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.452 -4.136 -21.772 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.461 -3.416 -20.495 1.00 0.00 H new ATOM 1552 N ASP A 93 19.073 -6.807 -18.566 1.00 0.00 N ATOM 1553 CA ASP A 93 19.932 -7.731 -17.845 1.00 0.00 C ATOM 1554 C ASP A 93 20.827 -6.945 -16.884 1.00 0.00 C ATOM 1555 O ASP A 93 20.873 -7.240 -15.691 1.00 0.00 O ATOM 1556 CB ASP A 93 20.837 -8.506 -18.805 1.00 0.00 C ATOM 1557 CG ASP A 93 21.645 -7.640 -19.773 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.041 -7.187 -20.769 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.849 -7.450 -19.495 1.00 0.00 O ATOM 0 H ASP A 93 19.273 -5.821 -18.400 1.00 0.00 H new ATOM 0 HA ASP A 93 19.295 -8.431 -17.305 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.528 -9.112 -18.219 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.222 -9.195 -19.384 1.00 0.00 H new ATOM 1564 N ASN A 94 21.515 -5.959 -17.440 1.00 0.00 N ATOM 1565 CA ASN A 94 22.406 -5.128 -16.648 1.00 0.00 C ATOM 1566 C ASN A 94 21.591 -4.374 -15.595 1.00 0.00 C ATOM 1567 O ASN A 94 22.138 -3.909 -14.597 1.00 0.00 O ATOM 1568 CB ASN A 94 23.119 -4.095 -17.522 1.00 0.00 C ATOM 1569 CG ASN A 94 23.206 -2.742 -16.813 1.00 0.00 C ATOM 1570 OD1 ASN A 94 24.105 -2.479 -16.031 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.224 -1.902 -17.128 1.00 0.00 N ATOM 0 H ASN A 94 21.474 -5.717 -18.430 1.00 0.00 H new ATOM 0 HA ASN A 94 23.146 -5.778 -16.181 1.00 0.00 H new ATOM 0 HB2 ASN A 94 24.122 -4.448 -17.764 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.585 -3.981 -18.466 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.192 -0.973 -16.707 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.503 -2.186 -17.791 1.00 0.00 H new ATOM 1578 N ALA A 95 20.295 -4.278 -15.854 1.00 0.00 N ATOM 1579 CA ALA A 95 19.399 -3.588 -14.941 1.00 0.00 C ATOM 1580 C ALA A 95 19.307 -4.375 -13.632 1.00 0.00 C ATOM 1581 O ALA A 95 19.706 -3.882 -12.578 1.00 0.00 O ATOM 1582 CB ALA A 95 18.034 -3.404 -15.607 1.00 0.00 C ATOM 0 H ALA A 95 19.844 -4.666 -16.682 1.00 0.00 H new ATOM 0 HA ALA A 95 19.783 -2.596 -14.703 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.362 -2.887 -14.922 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.149 -2.815 -16.517 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.617 -4.379 -15.857 1.00 0.00 H new ATOM 1588 N VAL A 96 18.779 -5.585 -13.742 1.00 0.00 N ATOM 1589 CA VAL A 96 18.630 -6.445 -12.580 1.00 0.00 C ATOM 1590 C VAL A 96 20.009 -6.732 -11.983 1.00 0.00 C ATOM 1591 O VAL A 96 20.224 -6.543 -10.787 1.00 0.00 O ATOM 1592 CB VAL A 96 17.868 -7.715 -12.963 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.679 -8.628 -11.750 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.523 -7.374 -13.608 1.00 0.00 C ATOM 0 H VAL A 96 18.449 -5.990 -14.618 1.00 0.00 H new ATOM 0 HA VAL A 96 18.040 -5.948 -11.810 1.00 0.00 H new ATOM 0 HB VAL A 96 18.465 -8.255 -13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.135 -9.523 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.654 -8.912 -11.353 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.114 -8.100 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.002 -8.294 -13.871 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.917 -6.802 -12.905 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.691 -6.783 -14.508 1.00 0.00 H new ATOM 1604 N LYS A 97 20.909 -7.184 -12.844 1.00 0.00 N ATOM 1605 CA LYS A 97 22.261 -7.500 -12.417 1.00 0.00 C ATOM 1606 C LYS A 97 22.732 -6.448 -11.411 1.00 0.00 C ATOM 1607 O LYS A 97 23.113 -6.783 -10.290 1.00 0.00 O ATOM 1608 CB LYS A 97 23.185 -7.648 -13.628 1.00 0.00 C ATOM 1609 CG LYS A 97 24.606 -8.011 -13.193 1.00 0.00 C ATOM 1610 CD LYS A 97 25.493 -8.303 -14.405 1.00 0.00 C ATOM 1611 CE LYS A 97 25.861 -7.012 -15.138 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.319 -6.767 -15.055 1.00 0.00 N ATOM 0 H LYS A 97 20.728 -7.339 -13.836 1.00 0.00 H new ATOM 0 HA LYS A 97 22.284 -8.463 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.797 -8.419 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.201 -6.716 -14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.033 -7.192 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.578 -8.883 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.400 -8.813 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.974 -8.977 -15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.556 -7.080 -16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.320 -6.172 -14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.552 -5.887 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.600 -6.681 -14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.830 -7.561 -15.492 1.00 0.00 H new ATOM 1626 N ASN A 98 22.690 -5.197 -11.846 1.00 0.00 N ATOM 1627 CA ASN A 98 23.107 -4.095 -10.997 1.00 0.00 C ATOM 1628 C ASN A 98 22.221 -4.053 -9.751 1.00 0.00 C ATOM 1629 O ASN A 98 22.722 -4.066 -8.628 1.00 0.00 O ATOM 1630 CB ASN A 98 22.965 -2.756 -11.724 1.00 0.00 C ATOM 1631 CG ASN A 98 23.983 -1.739 -11.204 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.894 -1.246 -10.091 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.952 -1.453 -12.069 1.00 0.00 N ATOM 0 H ASN A 98 22.373 -4.923 -12.776 1.00 0.00 H new ATOM 0 HA ASN A 98 24.152 -4.252 -10.730 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.107 -2.903 -12.795 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.956 -2.369 -11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.680 -0.785 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.967 -1.902 -12.985 1.00 0.00 H new ATOM 1640 N HIS A 99 20.919 -4.003 -9.991 1.00 0.00 N ATOM 1641 CA HIS A 99 19.958 -3.959 -8.902 1.00 0.00 C ATOM 1642 C HIS A 99 20.329 -5.004 -7.848 1.00 0.00 C ATOM 1643 O HIS A 99 19.989 -4.857 -6.675 1.00 0.00 O ATOM 1644 CB HIS A 99 18.531 -4.128 -9.428 1.00 0.00 C ATOM 1645 CG HIS A 99 17.468 -4.041 -8.360 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.237 -4.623 -8.278 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.619 -3.283 -7.212 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.668 -4.243 -7.141 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.523 -3.411 -6.479 1.00 0.00 N flip ATOM 0 H HIS A 99 20.507 -3.992 -10.924 1.00 0.00 H new ATOM 0 HA HIS A 99 19.992 -2.981 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.339 -3.363 -10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.451 -5.093 -9.928 1.00 0.00 H new ATOM 0 HD1 HIS A 99 15.824 -5.245 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.484 -2.688 -6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.689 -4.543 -6.796 1.00 0.00 H new ATOM 1657 N TRP A 100 21.021 -6.038 -8.304 1.00 0.00 N ATOM 1658 CA TRP A 100 21.442 -7.107 -7.415 1.00 0.00 C ATOM 1659 C TRP A 100 22.422 -6.519 -6.398 1.00 0.00 C ATOM 1660 O TRP A 100 22.110 -6.427 -5.212 1.00 0.00 O ATOM 1661 CB TRP A 100 22.032 -8.277 -8.205 1.00 0.00 C ATOM 1662 CG TRP A 100 21.797 -9.645 -7.561 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.700 -10.600 -7.302 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.535 -10.174 -7.102 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.115 -11.702 -6.712 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.757 -11.435 -6.587 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.249 -9.606 -7.122 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.739 -12.234 -6.053 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.243 -10.418 -6.585 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.450 -11.689 -6.062 1.00 0.00 C ATOM 0 H TRP A 100 21.301 -6.158 -9.278 1.00 0.00 H new ATOM 0 HA TRP A 100 20.588 -7.519 -6.878 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.601 -8.280 -9.206 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.105 -8.120 -8.320 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.753 -10.518 -7.527 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.592 -12.556 -6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.053 -8.621 -7.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.938 -13.218 -5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.235 -10.030 -6.577 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.620 -12.254 -5.664 1.00 0.00 H new ATOM 1681 N ASN A 101 23.587 -6.136 -6.899 1.00 0.00 N ATOM 1682 CA ASN A 101 24.614 -5.559 -6.049 1.00 0.00 C ATOM 1683 C ASN A 101 24.156 -4.181 -5.566 1.00 0.00 C ATOM 1684 O ASN A 101 24.846 -3.535 -4.779 1.00 0.00 O ATOM 1685 CB ASN A 101 25.927 -5.380 -6.815 1.00 0.00 C ATOM 1686 CG ASN A 101 26.588 -6.731 -7.094 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.044 -7.425 -6.199 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.615 -7.065 -8.381 1.00 0.00 N ATOM 0 H ASN A 101 23.842 -6.214 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 101 24.776 -6.235 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.736 -4.864 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.606 -4.751 -6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.035 -7.948 -8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.215 -6.438 -9.079 1.00 0.00 H new ATOM 1695 N SER A 102 22.996 -3.773 -6.058 1.00 0.00 N ATOM 1696 CA SER A 102 22.438 -2.484 -5.686 1.00 0.00 C ATOM 1697 C SER A 102 21.915 -2.534 -4.249 1.00 0.00 C ATOM 1698 O SER A 102 22.588 -2.083 -3.324 1.00 0.00 O ATOM 1699 CB SER A 102 21.318 -2.072 -6.644 1.00 0.00 C ATOM 1700 OG SER A 102 21.794 -1.890 -7.975 1.00 0.00 O ATOM 0 H SER A 102 22.427 -4.312 -6.711 1.00 0.00 H new ATOM 0 HA SER A 102 23.229 -1.737 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.538 -2.833 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.862 -1.146 -6.292 1.00 0.00 H new ATOM 0 HG SER A 102 22.631 -2.385 -8.094 1.00 0.00 H new ATOM 1706 N THR A 103 20.720 -3.088 -4.107 1.00 0.00 N ATOM 1707 CA THR A 103 20.099 -3.203 -2.798 1.00 0.00 C ATOM 1708 C THR A 103 19.737 -4.660 -2.506 1.00 0.00 C ATOM 1709 O THR A 103 19.432 -5.012 -1.367 1.00 0.00 O ATOM 1710 CB THR A 103 18.896 -2.259 -2.761 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.457 -0.994 -2.419 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.944 -2.569 -1.604 1.00 0.00 C ATOM 0 H THR A 103 20.165 -3.462 -4.877 1.00 0.00 H new ATOM 0 HA THR A 103 20.787 -2.907 -2.006 1.00 0.00 H new ATOM 0 HB THR A 103 18.354 -2.325 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.745 -0.322 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.108 -1.870 -1.624 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.568 -3.587 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.477 -2.471 -0.658 1.00 0.00 H new ATOM 1720 N ILE A 104 19.783 -5.470 -3.554 1.00 0.00 N ATOM 1721 CA ILE A 104 19.463 -6.881 -3.424 1.00 0.00 C ATOM 1722 C ILE A 104 20.742 -7.662 -3.113 1.00 0.00 C ATOM 1723 O ILE A 104 20.869 -8.826 -3.490 1.00 0.00 O ATOM 1724 CB ILE A 104 18.725 -7.380 -4.668 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.814 -6.291 -5.239 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.959 -8.671 -4.371 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.302 -6.678 -6.628 1.00 0.00 C ATOM 0 H ILE A 104 20.037 -5.176 -4.497 1.00 0.00 H new ATOM 0 HA ILE A 104 18.779 -7.042 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 104 19.465 -7.614 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.970 -6.129 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.360 -5.349 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.444 -9.004 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.658 -9.442 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.229 -8.488 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.657 -5.887 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.147 -6.815 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.736 -7.607 -6.561 1.00 0.00 H new ATOM 1739 N LYS A 105 21.656 -6.990 -2.428 1.00 0.00 N ATOM 1740 CA LYS A 105 22.919 -7.607 -2.062 1.00 0.00 C ATOM 1741 C LYS A 105 23.385 -7.046 -0.717 1.00 0.00 C ATOM 1742 O LYS A 105 23.716 -5.866 -0.614 1.00 0.00 O ATOM 1743 CB LYS A 105 23.943 -7.438 -3.186 1.00 0.00 C ATOM 1744 CG LYS A 105 23.644 -8.388 -4.348 1.00 0.00 C ATOM 1745 CD LYS A 105 23.975 -9.834 -3.973 1.00 0.00 C ATOM 1746 CE LYS A 105 25.475 -10.105 -4.105 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.785 -10.661 -5.442 1.00 0.00 N ATOM 0 H LYS A 105 21.547 -6.025 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 105 22.795 -8.682 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.931 -6.408 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.945 -7.631 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.592 -8.312 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.225 -8.093 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.655 -10.030 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.420 -10.517 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 105 26.033 -9.181 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.794 -10.803 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.057 -11.660 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.946 -10.586 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 26.570 -10.127 -5.866 1.00 0.00 H new