USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 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 1 GLY N :NH3+ -123:sc= 0.0682 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= -2.42! X(o=-2.4!,f=-2.4) USER MOD Single : A 20 SER OG : rot 24:sc= 0.5 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -149:sc= 0.0197 USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= -0.047 (180deg=-1.42) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 15:sc= 0.177 USER MOD Single : A 37 SER OG : rot 180:sc= -0.613 USER MOD Single : A 39 SER OG : rot -70:sc= -0.349 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.394 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= -0.186 (180deg=-0.812) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3!) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= -0.534 (180deg=-0.622) USER MOD Single : A 72 HIS : no HE2:sc= -6.95! C(o=-7!,f=-6.5!) USER MOD Single : A 78 ASN : amide:sc= -4.07! K(o=-4.1!,f=-1.2) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 81 GLN : amide:sc= -0.0398 K(o=-0.04,f=-0.79) USER MOD Single : A 83 ASN : amide:sc= 0.144 K(o=0.14,f=-3.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.604 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 95 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 97 SER OG : rot 26:sc= 0.781 USER MOD Single : A 98 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -16:sc= -2.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.071 26.116 -2.083 1.00 0.00 N ATOM 2 CA GLY A 1 16.852 25.031 -1.144 1.00 0.00 C ATOM 3 C GLY A 1 18.085 24.171 -0.953 1.00 0.00 C ATOM 4 O GLY A 1 19.168 24.511 -1.431 1.00 0.00 O ATOM 0 H1 GLY A 1 16.863 27.023 -1.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.062 26.108 -2.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.445 25.995 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.548 25.443 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.030 24.409 -1.498 1.00 0.00 H new ATOM 8 N SER A 2 17.923 23.054 -0.252 1.00 0.00 N ATOM 9 CA SER A 2 19.034 22.145 0.006 1.00 0.00 C ATOM 10 C SER A 2 18.742 20.757 -0.555 1.00 0.00 C ATOM 11 O SER A 2 17.689 20.176 -0.289 1.00 0.00 O ATOM 12 CB SER A 2 19.307 22.053 1.509 1.00 0.00 C ATOM 13 OG SER A 2 20.095 23.144 1.952 1.00 0.00 O ATOM 0 H SER A 2 17.033 22.756 0.148 1.00 0.00 H new ATOM 0 HA SER A 2 19.918 22.541 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.363 22.038 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.818 21.117 1.732 1.00 0.00 H new ATOM 0 HG SER A 2 20.254 23.063 2.916 1.00 0.00 H new ATOM 19 N SER A 3 19.681 20.231 -1.334 1.00 0.00 N ATOM 20 CA SER A 3 19.525 18.912 -1.937 1.00 0.00 C ATOM 21 C SER A 3 19.230 17.860 -0.873 1.00 0.00 C ATOM 22 O SER A 3 20.086 17.534 -0.051 1.00 0.00 O ATOM 23 CB SER A 3 20.786 18.529 -2.713 1.00 0.00 C ATOM 24 OG SER A 3 20.814 17.140 -2.989 1.00 0.00 O ATOM 0 H SER A 3 20.559 20.698 -1.563 1.00 0.00 H new ATOM 0 HA SER A 3 18.682 18.953 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.826 19.089 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.669 18.806 -2.137 1.00 0.00 H new ATOM 0 HG SER A 3 21.629 16.922 -3.487 1.00 0.00 H new ATOM 30 N GLY A 4 18.010 17.330 -0.894 1.00 0.00 N ATOM 31 CA GLY A 4 17.622 16.320 0.073 1.00 0.00 C ATOM 32 C GLY A 4 16.398 15.540 -0.363 1.00 0.00 C ATOM 33 O GLY A 4 15.280 16.055 -0.327 1.00 0.00 O ATOM 0 H GLY A 4 17.284 17.583 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.452 15.631 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.422 16.798 1.032 1.00 0.00 H new ATOM 37 N SER A 5 16.608 14.295 -0.777 1.00 0.00 N ATOM 38 CA SER A 5 15.512 13.444 -1.227 1.00 0.00 C ATOM 39 C SER A 5 14.801 12.801 -0.040 1.00 0.00 C ATOM 40 O SER A 5 13.710 12.249 -0.181 1.00 0.00 O ATOM 41 CB SER A 5 16.035 12.360 -2.172 1.00 0.00 C ATOM 42 OG SER A 5 17.324 11.920 -1.780 1.00 0.00 O ATOM 0 H SER A 5 17.527 13.853 -0.810 1.00 0.00 H new ATOM 0 HA SER A 5 14.796 14.068 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.346 11.516 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.074 12.748 -3.190 1.00 0.00 H new ATOM 0 HG SER A 5 17.635 11.226 -2.399 1.00 0.00 H new ATOM 48 N SER A 6 15.429 12.875 1.129 1.00 0.00 N ATOM 49 CA SER A 6 14.860 12.297 2.341 1.00 0.00 C ATOM 50 C SER A 6 13.766 13.195 2.909 1.00 0.00 C ATOM 51 O SER A 6 13.925 14.412 2.990 1.00 0.00 O ATOM 52 CB SER A 6 15.953 12.080 3.389 1.00 0.00 C ATOM 53 OG SER A 6 15.403 11.616 4.610 1.00 0.00 O ATOM 0 H SER A 6 16.332 13.330 1.263 1.00 0.00 H new ATOM 0 HA SER A 6 14.418 11.335 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.680 11.359 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.489 13.014 3.559 1.00 0.00 H new ATOM 0 HG SER A 6 16.122 11.483 5.263 1.00 0.00 H new ATOM 59 N GLY A 7 12.652 12.584 3.301 1.00 0.00 N ATOM 60 CA GLY A 7 11.546 13.342 3.856 1.00 0.00 C ATOM 61 C GLY A 7 10.233 12.587 3.788 1.00 0.00 C ATOM 62 O GLY A 7 9.583 12.551 2.744 1.00 0.00 O ATOM 0 H GLY A 7 12.496 11.578 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.765 13.591 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.448 14.284 3.316 1.00 0.00 H new ATOM 66 N VAL A 8 9.842 11.981 4.905 1.00 0.00 N ATOM 67 CA VAL A 8 8.599 11.222 4.968 1.00 0.00 C ATOM 68 C VAL A 8 7.414 12.072 4.525 1.00 0.00 C ATOM 69 O VAL A 8 7.220 13.187 5.010 1.00 0.00 O ATOM 70 CB VAL A 8 8.335 10.694 6.391 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.987 9.994 6.459 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.453 9.760 6.828 1.00 0.00 C ATOM 0 H VAL A 8 10.368 12.001 5.778 1.00 0.00 H new ATOM 0 HA VAL A 8 8.710 10.376 4.290 1.00 0.00 H new ATOM 0 HB VAL A 8 8.312 11.541 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.818 9.628 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.198 10.697 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.977 9.155 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.250 9.396 7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.510 8.915 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.401 10.298 6.820 1.00 0.00 H new ATOM 82 N ILE A 9 6.622 11.538 3.600 1.00 0.00 N ATOM 83 CA ILE A 9 5.454 12.247 3.093 1.00 0.00 C ATOM 84 C ILE A 9 4.214 11.924 3.918 1.00 0.00 C ATOM 85 O ILE A 9 3.491 12.822 4.350 1.00 0.00 O ATOM 86 CB ILE A 9 5.181 11.899 1.618 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.471 11.997 0.801 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.114 12.819 1.045 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.266 11.771 -0.681 1.00 0.00 C ATOM 0 H ILE A 9 6.769 10.617 3.187 1.00 0.00 H new ATOM 0 HA ILE A 9 5.672 13.312 3.172 1.00 0.00 H new ATOM 0 HB ILE A 9 4.816 10.873 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.914 12.982 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.186 11.265 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.932 12.560 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.191 12.704 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.453 13.853 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.222 11.855 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.852 10.776 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.576 12.519 -1.071 1.00 0.00 H new ATOM 101 N ARG A 10 3.973 10.635 4.135 1.00 0.00 N ATOM 102 CA ARG A 10 2.820 10.193 4.910 1.00 0.00 C ATOM 103 C ARG A 10 3.136 8.908 5.670 1.00 0.00 C ATOM 104 O ARG A 10 3.947 8.095 5.226 1.00 0.00 O ATOM 105 CB ARG A 10 1.617 9.971 3.991 1.00 0.00 C ATOM 106 CG ARG A 10 0.281 10.026 4.714 1.00 0.00 C ATOM 107 CD ARG A 10 -0.205 11.458 4.878 1.00 0.00 C ATOM 108 NE ARG A 10 0.267 12.057 6.124 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.267 11.798 7.312 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.286 10.956 7.416 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.218 12.382 8.401 1.00 0.00 N ATOM 0 H ARG A 10 4.561 9.879 3.785 1.00 0.00 H new ATOM 0 HA ARG A 10 2.579 10.972 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.627 10.726 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.717 9.001 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.459 9.451 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.377 9.559 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.140 12.057 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.295 11.476 4.857 1.00 0.00 H new ATOM 0 HE ARG A 10 1.049 12.710 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.662 10.505 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.694 10.759 8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.002 13.031 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.193 12.182 9.313 1.00 0.00 H new ATOM 125 N ARG A 11 2.491 8.733 6.819 1.00 0.00 N ATOM 126 CA ARG A 11 2.705 7.549 7.643 1.00 0.00 C ATOM 127 C ARG A 11 1.410 7.121 8.327 1.00 0.00 C ATOM 128 O ARG A 11 0.430 7.865 8.344 1.00 0.00 O ATOM 129 CB ARG A 11 3.784 7.820 8.693 1.00 0.00 C ATOM 130 CG ARG A 11 5.195 7.830 8.128 1.00 0.00 C ATOM 131 CD ARG A 11 6.226 8.114 9.209 1.00 0.00 C ATOM 132 NE ARG A 11 5.791 9.174 10.115 1.00 0.00 N ATOM 133 CZ ARG A 11 6.263 9.327 11.347 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.181 8.493 11.817 1.00 0.00 N ATOM 135 NH2 ARG A 11 5.818 10.316 12.112 1.00 0.00 N ATOM 0 H ARG A 11 1.816 9.396 7.200 1.00 0.00 H new ATOM 0 HA ARG A 11 3.036 6.740 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.585 8.781 9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.719 7.061 9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.409 6.867 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.269 8.585 7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.414 7.204 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.170 8.399 8.744 1.00 0.00 H new ATOM 0 HE ARG A 11 5.086 9.833 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.526 7.732 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.542 8.613 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.113 10.960 11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.181 10.432 13.058 1.00 0.00 H new ATOM 149 N GLY A 12 1.413 5.917 8.890 1.00 0.00 N ATOM 150 CA GLY A 12 0.234 5.411 9.567 1.00 0.00 C ATOM 151 C GLY A 12 0.132 3.900 9.504 1.00 0.00 C ATOM 152 O GLY A 12 0.750 3.265 8.649 1.00 0.00 O ATOM 0 H GLY A 12 2.212 5.283 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.254 5.727 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.656 5.851 9.117 1.00 0.00 H new ATOM 156 N TRP A 13 -0.648 3.323 10.411 1.00 0.00 N ATOM 157 CA TRP A 13 -0.826 1.876 10.455 1.00 0.00 C ATOM 158 C TRP A 13 -1.951 1.437 9.525 1.00 0.00 C ATOM 159 O TRP A 13 -3.093 1.879 9.663 1.00 0.00 O ATOM 160 CB TRP A 13 -1.124 1.422 11.885 1.00 0.00 C ATOM 161 CG TRP A 13 0.026 1.623 12.824 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.504 2.814 13.293 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.845 0.604 13.407 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.570 2.596 14.132 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.799 1.248 14.219 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.864 -0.791 13.324 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.760 0.545 14.940 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.819 -1.488 14.040 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.755 -0.820 14.840 1.00 0.00 C ATOM 0 H TRP A 13 -1.167 3.834 11.125 1.00 0.00 H new ATOM 0 HA TRP A 13 0.100 1.411 10.118 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.989 1.969 12.259 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.395 0.366 11.874 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.103 3.785 13.041 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.104 3.320 14.612 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.145 -1.315 12.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.483 1.058 15.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.844 -2.566 13.982 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.487 -1.394 15.389 1.00 0.00 H new ATOM 180 N LEU A 14 -1.624 0.566 8.577 1.00 0.00 N ATOM 181 CA LEU A 14 -2.608 0.067 7.623 1.00 0.00 C ATOM 182 C LEU A 14 -2.742 -1.449 7.722 1.00 0.00 C ATOM 183 O LEU A 14 -1.802 -2.143 8.109 1.00 0.00 O ATOM 184 CB LEU A 14 -2.214 0.463 6.199 1.00 0.00 C ATOM 185 CG LEU A 14 -2.630 1.865 5.753 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.826 2.300 4.537 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.121 1.908 5.451 1.00 0.00 C ATOM 0 H LEU A 14 -0.684 0.190 8.448 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.572 0.515 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.131 0.381 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.649 -0.260 5.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.424 2.560 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.136 3.300 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.765 2.309 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.000 1.603 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.399 2.913 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.351 1.200 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.682 1.641 6.347 1.00 0.00 H new ATOM 199 N THR A 15 -3.918 -1.958 7.368 1.00 0.00 N ATOM 200 CA THR A 15 -4.176 -3.392 7.415 1.00 0.00 C ATOM 201 C THR A 15 -4.225 -3.989 6.014 1.00 0.00 C ATOM 202 O THR A 15 -5.179 -3.767 5.268 1.00 0.00 O ATOM 203 CB THR A 15 -5.500 -3.701 8.139 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.398 -3.341 9.522 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.852 -5.176 8.018 1.00 0.00 C ATOM 0 H THR A 15 -4.707 -1.398 7.045 1.00 0.00 H new ATOM 0 HA THR A 15 -3.353 -3.843 7.970 1.00 0.00 H new ATOM 0 HB THR A 15 -6.290 -3.116 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.244 -3.539 9.975 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.791 -5.370 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.958 -5.440 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.060 -5.777 8.464 1.00 0.00 H new ATOM 213 N ILE A 16 -3.192 -4.747 5.662 1.00 0.00 N ATOM 214 CA ILE A 16 -3.120 -5.377 4.350 1.00 0.00 C ATOM 215 C ILE A 16 -4.168 -6.476 4.209 1.00 0.00 C ATOM 216 O ILE A 16 -3.876 -7.655 4.406 1.00 0.00 O ATOM 217 CB ILE A 16 -1.725 -5.977 4.090 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.645 -4.909 4.270 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.658 -6.575 2.693 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.761 -5.467 4.285 1.00 0.00 C ATOM 0 H ILE A 16 -2.394 -4.940 6.267 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.314 -4.597 3.614 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.547 -6.772 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.729 -4.180 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.825 -4.375 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.666 -6.995 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.406 -7.362 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.853 -5.797 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.474 -4.653 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.863 -6.175 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.961 -5.976 3.342 1.00 0.00 H new ATOM 232 N ASN A 17 -5.389 -6.081 3.864 1.00 0.00 N ATOM 233 CA ASN A 17 -6.481 -7.032 3.695 1.00 0.00 C ATOM 234 C ASN A 17 -5.996 -8.297 2.993 1.00 0.00 C ATOM 235 O ASN A 17 -6.169 -9.405 3.499 1.00 0.00 O ATOM 236 CB ASN A 17 -7.620 -6.396 2.895 1.00 0.00 C ATOM 237 CG ASN A 17 -8.626 -5.691 3.783 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.417 -5.551 4.988 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.727 -5.244 3.191 1.00 0.00 N ATOM 0 H ASN A 17 -5.647 -5.109 3.696 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.849 -7.305 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.206 -5.683 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.128 -7.167 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.441 -4.763 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.859 -5.382 2.189 1.00 0.00 H new ATOM 246 N ASN A 18 -5.389 -8.123 1.824 1.00 0.00 N ATOM 247 CA ASN A 18 -4.879 -9.250 1.052 1.00 0.00 C ATOM 248 C ASN A 18 -4.362 -10.351 1.973 1.00 0.00 C ATOM 249 O ASN A 18 -4.961 -11.422 2.074 1.00 0.00 O ATOM 250 CB ASN A 18 -3.762 -8.789 0.113 1.00 0.00 C ATOM 251 CG ASN A 18 -3.680 -9.631 -1.146 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.145 -10.771 -1.175 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.087 -9.072 -2.194 1.00 0.00 N ATOM 0 H ASN A 18 -5.238 -7.212 1.390 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.700 -9.653 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.928 -7.747 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.808 -8.833 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.002 -9.590 -3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.716 -8.124 -2.125 1.00 0.00 H new ATOM 260 N ILE A 19 -3.246 -10.079 2.642 1.00 0.00 N ATOM 261 CA ILE A 19 -2.650 -11.045 3.556 1.00 0.00 C ATOM 262 C ILE A 19 -3.719 -11.757 4.378 1.00 0.00 C ATOM 263 O ILE A 19 -4.253 -11.200 5.337 1.00 0.00 O ATOM 264 CB ILE A 19 -1.647 -10.371 4.512 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.392 -9.943 3.750 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.287 -11.313 5.651 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.468 -8.956 4.508 1.00 0.00 C ATOM 0 H ILE A 19 -2.737 -9.198 2.568 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.121 -11.775 2.943 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.112 -9.481 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.202 -10.827 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.688 -9.500 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.578 -10.823 6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.188 -11.573 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.837 -12.219 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.340 -8.697 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.109 -8.055 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.794 -9.403 5.447 1.00 0.00 H new ATOM 279 N SER A 20 -4.025 -12.993 3.997 1.00 0.00 N ATOM 280 CA SER A 20 -5.032 -13.781 4.697 1.00 0.00 C ATOM 281 C SER A 20 -4.390 -14.645 5.779 1.00 0.00 C ATOM 282 O SER A 20 -4.901 -14.744 6.896 1.00 0.00 O ATOM 283 CB SER A 20 -5.796 -14.666 3.710 1.00 0.00 C ATOM 284 OG SER A 20 -6.413 -13.887 2.699 1.00 0.00 O ATOM 0 H SER A 20 -3.590 -13.470 3.207 1.00 0.00 H new ATOM 0 HA SER A 20 -5.730 -13.092 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.112 -15.383 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.553 -15.241 4.243 1.00 0.00 H new ATOM 0 HG SER A 20 -5.936 -13.036 2.605 1.00 0.00 H new ATOM 290 N LEU A 21 -3.267 -15.268 5.440 1.00 0.00 N ATOM 291 CA LEU A 21 -2.553 -16.124 6.382 1.00 0.00 C ATOM 292 C LEU A 21 -2.658 -15.577 7.802 1.00 0.00 C ATOM 293 O LEU A 21 -2.290 -14.433 8.065 1.00 0.00 O ATOM 294 CB LEU A 21 -1.083 -16.246 5.977 1.00 0.00 C ATOM 295 CG LEU A 21 -0.755 -17.344 4.965 1.00 0.00 C ATOM 296 CD1 LEU A 21 0.657 -17.169 4.426 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.919 -18.719 5.597 1.00 0.00 C ATOM 0 H LEU A 21 -2.831 -15.197 4.521 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.013 -17.112 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.760 -15.290 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.492 -16.420 6.876 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.453 -17.263 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.873 -17.960 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.742 -16.199 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.370 -17.223 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.681 -19.488 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.245 -18.811 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.948 -18.844 5.933 1.00 0.00 H new ATOM 309 N MET A 22 -3.160 -16.404 8.713 1.00 0.00 N ATOM 310 CA MET A 22 -3.309 -16.004 10.108 1.00 0.00 C ATOM 311 C MET A 22 -2.103 -16.443 10.931 1.00 0.00 C ATOM 312 O MET A 22 -2.245 -17.123 11.947 1.00 0.00 O ATOM 313 CB MET A 22 -4.588 -16.602 10.697 1.00 0.00 C ATOM 314 CG MET A 22 -4.610 -18.122 10.687 1.00 0.00 C ATOM 315 SD MET A 22 -6.265 -18.794 10.929 1.00 0.00 S ATOM 316 CE MET A 22 -6.200 -19.241 12.662 1.00 0.00 C ATOM 0 H MET A 22 -3.470 -17.354 8.511 1.00 0.00 H new ATOM 0 HA MET A 22 -3.374 -14.917 10.144 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.704 -16.252 11.723 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.445 -16.231 10.135 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.211 -18.481 9.738 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.952 -18.496 11.471 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.155 -19.672 12.963 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.406 -19.971 12.820 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.999 -18.352 13.260 1.00 0.00 H new ATOM 326 N LYS A 23 -0.914 -16.049 10.486 1.00 0.00 N ATOM 327 CA LYS A 23 0.318 -16.400 11.182 1.00 0.00 C ATOM 328 C LYS A 23 0.280 -15.925 12.630 1.00 0.00 C ATOM 329 O LYS A 23 0.718 -16.631 13.538 1.00 0.00 O ATOM 330 CB LYS A 23 1.525 -15.789 10.465 1.00 0.00 C ATOM 331 CG LYS A 23 2.859 -16.319 10.961 1.00 0.00 C ATOM 332 CD LYS A 23 3.288 -17.557 10.192 1.00 0.00 C ATOM 333 CE LYS A 23 3.864 -17.197 8.831 1.00 0.00 C ATOM 334 NZ LYS A 23 3.765 -18.329 7.869 1.00 0.00 N ATOM 0 H LYS A 23 -0.778 -15.486 9.646 1.00 0.00 H new ATOM 0 HA LYS A 23 0.411 -17.486 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.440 -15.986 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.503 -14.707 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.620 -15.545 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.785 -16.556 12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.032 -18.105 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.433 -18.220 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.335 -16.333 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.909 -16.907 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.168 -18.043 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.291 -19.146 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.766 -18.589 7.741 1.00 0.00 H new ATOM 348 N GLY A 24 -0.248 -14.723 12.840 1.00 0.00 N ATOM 349 CA GLY A 24 -0.335 -14.174 14.181 1.00 0.00 C ATOM 350 C GLY A 24 -1.640 -13.442 14.424 1.00 0.00 C ATOM 351 O GLY A 24 -2.699 -13.882 13.978 1.00 0.00 O ATOM 0 H GLY A 24 -0.617 -14.119 12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.233 -14.980 14.908 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.498 -13.490 14.345 1.00 0.00 H new ATOM 355 N GLY A 25 -1.565 -12.322 15.137 1.00 0.00 N ATOM 356 CA GLY A 25 -2.757 -11.547 15.428 1.00 0.00 C ATOM 357 C GLY A 25 -3.124 -10.602 14.301 1.00 0.00 C ATOM 358 O GLY A 25 -3.014 -10.954 13.127 1.00 0.00 O ATOM 0 H GLY A 25 -0.700 -11.938 15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.590 -12.224 15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.600 -10.974 16.342 1.00 0.00 H new ATOM 362 N SER A 26 -3.563 -9.400 14.658 1.00 0.00 N ATOM 363 CA SER A 26 -3.953 -8.403 13.668 1.00 0.00 C ATOM 364 C SER A 26 -2.954 -8.361 12.516 1.00 0.00 C ATOM 365 O SER A 26 -1.766 -8.627 12.699 1.00 0.00 O ATOM 366 CB SER A 26 -4.059 -7.022 14.317 1.00 0.00 C ATOM 367 OG SER A 26 -4.788 -6.126 13.496 1.00 0.00 O ATOM 0 H SER A 26 -3.658 -9.092 15.626 1.00 0.00 H new ATOM 0 HA SER A 26 -4.928 -8.685 13.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.547 -7.110 15.288 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.060 -6.624 14.497 1.00 0.00 H new ATOM 0 HG SER A 26 -4.450 -5.215 13.625 1.00 0.00 H new ATOM 373 N LYS A 27 -3.444 -8.026 11.327 1.00 0.00 N ATOM 374 CA LYS A 27 -2.596 -7.947 10.144 1.00 0.00 C ATOM 375 C LYS A 27 -2.219 -6.501 9.840 1.00 0.00 C ATOM 376 O LYS A 27 -2.154 -6.099 8.679 1.00 0.00 O ATOM 377 CB LYS A 27 -3.309 -8.564 8.939 1.00 0.00 C ATOM 378 CG LYS A 27 -4.019 -9.869 9.254 1.00 0.00 C ATOM 379 CD LYS A 27 -3.081 -10.872 9.904 1.00 0.00 C ATOM 380 CE LYS A 27 -3.683 -12.269 9.920 1.00 0.00 C ATOM 381 NZ LYS A 27 -4.195 -12.668 8.580 1.00 0.00 N ATOM 0 H LYS A 27 -4.425 -7.805 11.157 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.683 -8.507 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.035 -7.849 8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.581 -8.738 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.862 -9.675 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.427 -10.293 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.134 -10.889 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.861 -10.558 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.930 -12.985 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.496 -12.306 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.895 -13.641 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.234 -12.618 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.815 -12.024 7.857 1.00 0.00 H new ATOM 395 N GLU A 28 -1.970 -5.725 10.890 1.00 0.00 N ATOM 396 CA GLU A 28 -1.599 -4.324 10.733 1.00 0.00 C ATOM 397 C GLU A 28 -0.097 -4.181 10.509 1.00 0.00 C ATOM 398 O GLU A 28 0.680 -5.075 10.843 1.00 0.00 O ATOM 399 CB GLU A 28 -2.021 -3.521 11.966 1.00 0.00 C ATOM 400 CG GLU A 28 -1.322 -3.955 13.243 1.00 0.00 C ATOM 401 CD GLU A 28 -2.109 -3.596 14.489 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.071 -2.417 14.896 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.762 -4.497 15.057 1.00 0.00 O ATOM 0 H GLU A 28 -2.018 -6.043 11.858 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.118 -3.933 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.815 -2.465 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.098 -3.617 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.162 -5.033 13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.339 -3.488 13.292 1.00 0.00 H new ATOM 410 N TYR A 29 0.305 -3.050 9.939 1.00 0.00 N ATOM 411 CA TYR A 29 1.713 -2.790 9.667 1.00 0.00 C ATOM 412 C TYR A 29 1.990 -1.290 9.611 1.00 0.00 C ATOM 413 O TYR A 29 1.097 -0.494 9.321 1.00 0.00 O ATOM 414 CB TYR A 29 2.129 -3.446 8.349 1.00 0.00 C ATOM 415 CG TYR A 29 2.383 -4.931 8.466 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.354 -5.848 8.289 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.652 -5.419 8.753 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.581 -7.207 8.396 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.888 -6.776 8.860 1.00 0.00 C ATOM 420 CZ TYR A 29 2.850 -7.665 8.681 1.00 0.00 C ATOM 421 OH TYR A 29 3.081 -9.018 8.788 1.00 0.00 O ATOM 0 H TYR A 29 -0.325 -2.299 9.657 1.00 0.00 H new ATOM 0 HA TYR A 29 2.299 -3.219 10.480 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.349 -3.277 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.032 -2.959 7.980 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.359 -5.492 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.468 -4.726 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.769 -7.906 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.881 -7.138 9.083 1.00 0.00 H new ATOM 0 HH TYR A 29 4.027 -9.173 8.991 1.00 0.00 H new ATOM 431 N TRP A 30 3.232 -0.914 9.890 1.00 0.00 N ATOM 432 CA TRP A 30 3.628 0.490 9.871 1.00 0.00 C ATOM 433 C TRP A 30 4.055 0.916 8.471 1.00 0.00 C ATOM 434 O TRP A 30 5.203 0.715 8.073 1.00 0.00 O ATOM 435 CB TRP A 30 4.768 0.733 10.861 1.00 0.00 C ATOM 436 CG TRP A 30 5.210 2.164 10.918 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.460 2.646 10.655 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.405 3.296 11.262 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.481 4.011 10.815 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.232 4.434 11.186 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.065 3.461 11.625 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.762 5.716 11.461 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.600 4.733 11.898 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.446 5.847 11.814 1.00 0.00 C ATOM 0 H TRP A 30 3.983 -1.561 10.132 1.00 0.00 H new ATOM 0 HA TRP A 30 2.766 1.089 10.166 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.450 0.419 11.855 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.618 0.108 10.586 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.308 2.043 10.364 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.294 4.611 10.680 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.405 2.609 11.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.413 6.576 11.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.567 4.871 12.181 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.052 6.829 12.032 1.00 0.00 H new ATOM 455 N PHE A 31 3.125 1.507 7.727 1.00 0.00 N ATOM 456 CA PHE A 31 3.406 1.961 6.370 1.00 0.00 C ATOM 457 C PHE A 31 4.004 3.364 6.380 1.00 0.00 C ATOM 458 O PHE A 31 3.372 4.319 6.832 1.00 0.00 O ATOM 459 CB PHE A 31 2.127 1.946 5.530 1.00 0.00 C ATOM 460 CG PHE A 31 1.764 0.582 5.015 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.081 -0.317 5.818 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.106 0.199 3.728 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.747 -1.573 5.347 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.774 -1.055 3.252 1.00 0.00 C ATOM 465 CZ PHE A 31 1.093 -1.942 4.062 1.00 0.00 C ATOM 0 H PHE A 31 2.171 1.683 8.041 1.00 0.00 H new ATOM 0 HA PHE A 31 4.131 1.278 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.303 2.330 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.249 2.624 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.806 -0.033 6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.638 0.889 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.216 -2.265 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.047 -1.341 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.832 -2.922 3.691 1.00 0.00 H new ATOM 475 N VAL A 32 5.230 3.482 5.878 1.00 0.00 N ATOM 476 CA VAL A 32 5.915 4.768 5.828 1.00 0.00 C ATOM 477 C VAL A 32 6.283 5.139 4.395 1.00 0.00 C ATOM 478 O VAL A 32 7.338 4.750 3.893 1.00 0.00 O ATOM 479 CB VAL A 32 7.193 4.756 6.687 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.934 6.079 6.560 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.854 4.464 8.141 1.00 0.00 C ATOM 0 H VAL A 32 5.769 2.702 5.500 1.00 0.00 H new ATOM 0 HA VAL A 32 5.224 5.511 6.227 1.00 0.00 H new ATOM 0 HB VAL A 32 7.847 3.964 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.834 6.052 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.210 6.243 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.289 6.891 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.769 4.459 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.180 5.233 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.370 3.490 8.213 1.00 0.00 H new ATOM 491 N LEU A 33 5.406 5.893 3.742 1.00 0.00 N ATOM 492 CA LEU A 33 5.639 6.318 2.366 1.00 0.00 C ATOM 493 C LEU A 33 6.620 7.485 2.315 1.00 0.00 C ATOM 494 O LEU A 33 6.364 8.552 2.874 1.00 0.00 O ATOM 495 CB LEU A 33 4.318 6.719 1.706 1.00 0.00 C ATOM 496 CG LEU A 33 4.422 7.297 0.294 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.342 6.189 -0.744 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.329 8.330 0.059 1.00 0.00 C ATOM 0 H LEU A 33 4.528 6.223 4.143 1.00 0.00 H new ATOM 0 HA LEU A 33 6.072 5.479 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.671 5.842 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.825 7.454 2.343 1.00 0.00 H new ATOM 0 HG LEU A 33 5.389 7.790 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.418 6.620 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.160 5.486 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.391 5.666 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.418 8.731 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.353 7.860 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.432 9.140 0.781 1.00 0.00 H new ATOM 510 N THR A 34 7.745 7.275 1.638 1.00 0.00 N ATOM 511 CA THR A 34 8.765 8.308 1.512 1.00 0.00 C ATOM 512 C THR A 34 8.975 8.699 0.054 1.00 0.00 C ATOM 513 O THR A 34 9.023 7.841 -0.828 1.00 0.00 O ATOM 514 CB THR A 34 10.109 7.847 2.107 1.00 0.00 C ATOM 515 OG1 THR A 34 10.418 6.525 1.652 1.00 0.00 O ATOM 516 CG2 THR A 34 10.063 7.868 3.627 1.00 0.00 C ATOM 0 H THR A 34 7.972 6.398 1.169 1.00 0.00 H new ATOM 0 HA THR A 34 8.408 9.174 2.069 1.00 0.00 H new ATOM 0 HB THR A 34 10.885 8.536 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.847 6.300 0.888 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.023 7.539 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.856 8.882 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.277 7.199 3.976 1.00 0.00 H new ATOM 524 N ALA A 35 9.102 9.998 -0.194 1.00 0.00 N ATOM 525 CA ALA A 35 9.310 10.501 -1.546 1.00 0.00 C ATOM 526 C ALA A 35 10.179 9.548 -2.359 1.00 0.00 C ATOM 527 O ALA A 35 9.998 9.408 -3.569 1.00 0.00 O ATOM 528 CB ALA A 35 9.940 11.886 -1.503 1.00 0.00 C ATOM 0 H ALA A 35 9.064 10.722 0.524 1.00 0.00 H new ATOM 0 HA ALA A 35 8.338 10.571 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.090 12.249 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.281 12.569 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.901 11.833 -0.992 1.00 0.00 H new ATOM 534 N GLU A 36 11.121 8.894 -1.687 1.00 0.00 N ATOM 535 CA GLU A 36 12.019 7.955 -2.350 1.00 0.00 C ATOM 536 C GLU A 36 11.287 6.665 -2.709 1.00 0.00 C ATOM 537 O GLU A 36 11.260 6.256 -3.870 1.00 0.00 O ATOM 538 CB GLU A 36 13.217 7.641 -1.452 1.00 0.00 C ATOM 539 CG GLU A 36 12.830 7.093 -0.089 1.00 0.00 C ATOM 540 CD GLU A 36 13.868 7.389 0.976 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.879 6.658 1.038 1.00 0.00 O ATOM 542 OE2 GLU A 36 13.670 8.352 1.747 1.00 0.00 O ATOM 0 H GLU A 36 11.282 8.997 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 36 12.375 8.419 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.858 6.918 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.806 8.548 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.874 7.521 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.688 6.015 -0.162 1.00 0.00 H new ATOM 549 N SER A 37 10.695 6.027 -1.703 1.00 0.00 N ATOM 550 CA SER A 37 9.967 4.781 -1.911 1.00 0.00 C ATOM 551 C SER A 37 8.981 4.532 -0.774 1.00 0.00 C ATOM 552 O SER A 37 8.888 5.321 0.167 1.00 0.00 O ATOM 553 CB SER A 37 10.942 3.608 -2.022 1.00 0.00 C ATOM 554 OG SER A 37 12.151 4.006 -2.646 1.00 0.00 O ATOM 0 H SER A 37 10.706 6.353 -0.737 1.00 0.00 H new ATOM 0 HA SER A 37 9.407 4.867 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.155 3.213 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.482 2.802 -2.594 1.00 0.00 H new ATOM 0 HG SER A 37 12.758 3.238 -2.703 1.00 0.00 H new ATOM 560 N LEU A 38 8.246 3.429 -0.868 1.00 0.00 N ATOM 561 CA LEU A 38 7.266 3.074 0.153 1.00 0.00 C ATOM 562 C LEU A 38 7.635 1.756 0.826 1.00 0.00 C ATOM 563 O LEU A 38 7.806 0.734 0.162 1.00 0.00 O ATOM 564 CB LEU A 38 5.871 2.971 -0.466 1.00 0.00 C ATOM 565 CG LEU A 38 4.860 2.115 0.297 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.520 2.754 1.634 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.602 1.908 -0.533 1.00 0.00 C ATOM 0 H LEU A 38 8.310 2.766 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 38 7.264 3.859 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.464 3.977 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.971 2.568 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 38 5.309 1.140 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.799 2.130 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.426 2.849 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.091 3.742 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.894 1.296 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.150 2.875 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.860 1.404 -1.465 1.00 0.00 H new ATOM 579 N SER A 39 7.753 1.786 2.150 1.00 0.00 N ATOM 580 CA SER A 39 8.103 0.594 2.914 1.00 0.00 C ATOM 581 C SER A 39 7.181 0.431 4.119 1.00 0.00 C ATOM 582 O SER A 39 6.609 1.404 4.612 1.00 0.00 O ATOM 583 CB SER A 39 9.559 0.669 3.377 1.00 0.00 C ATOM 584 OG SER A 39 10.125 -0.626 3.490 1.00 0.00 O ATOM 0 H SER A 39 7.611 2.623 2.716 1.00 0.00 H new ATOM 0 HA SER A 39 7.980 -0.273 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.139 1.262 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.612 1.178 4.339 1.00 0.00 H new ATOM 0 HG SER A 39 9.722 -1.094 4.251 1.00 0.00 H new ATOM 590 N TRP A 40 7.042 -0.804 4.586 1.00 0.00 N ATOM 591 CA TRP A 40 6.190 -1.095 5.733 1.00 0.00 C ATOM 592 C TRP A 40 6.939 -1.922 6.772 1.00 0.00 C ATOM 593 O TRP A 40 7.477 -2.985 6.463 1.00 0.00 O ATOM 594 CB TRP A 40 4.931 -1.838 5.284 1.00 0.00 C ATOM 595 CG TRP A 40 5.215 -2.982 4.357 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.309 -4.303 4.691 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.443 -2.905 2.946 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.582 -5.052 3.572 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.668 -4.218 2.489 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.477 -1.856 2.024 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.925 -4.506 1.151 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.732 -2.143 0.697 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.953 -3.459 0.270 1.00 0.00 C ATOM 0 H TRP A 40 7.508 -1.620 4.189 1.00 0.00 H new ATOM 0 HA TRP A 40 5.902 -0.148 6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.406 -2.213 6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.261 -1.136 4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.187 -4.700 5.688 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.701 -6.065 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.307 -0.838 2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.096 -5.520 0.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.762 -1.339 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.149 -3.651 -0.775 1.00 0.00 H new ATOM 614 N TYR A 41 6.971 -1.428 8.005 1.00 0.00 N ATOM 615 CA TYR A 41 7.657 -2.120 9.089 1.00 0.00 C ATOM 616 C TYR A 41 6.659 -2.649 10.115 1.00 0.00 C ATOM 617 O TYR A 41 5.446 -2.535 9.936 1.00 0.00 O ATOM 618 CB TYR A 41 8.657 -1.184 9.769 1.00 0.00 C ATOM 619 CG TYR A 41 9.465 -0.353 8.798 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.863 0.643 8.038 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.829 -0.564 8.640 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.598 1.404 7.149 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.571 0.193 7.754 1.00 0.00 C ATOM 624 CZ TYR A 41 10.951 1.176 7.011 1.00 0.00 C ATOM 625 OH TYR A 41 11.686 1.932 6.127 1.00 0.00 O ATOM 0 H TYR A 41 6.529 -0.550 8.278 1.00 0.00 H new ATOM 0 HA TYR A 41 8.195 -2.966 8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.118 -0.518 10.443 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.337 -1.776 10.382 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.804 0.825 8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.318 -1.333 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.115 2.174 6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.631 0.016 7.644 1.00 0.00 H new ATOM 0 HH TYR A 41 12.606 2.014 6.453 1.00 0.00 H new ATOM 635 N LYS A 42 7.179 -3.228 11.192 1.00 0.00 N ATOM 636 CA LYS A 42 6.337 -3.774 12.250 1.00 0.00 C ATOM 637 C LYS A 42 5.724 -2.656 13.089 1.00 0.00 C ATOM 638 O LYS A 42 4.533 -2.681 13.397 1.00 0.00 O ATOM 639 CB LYS A 42 7.150 -4.711 13.145 1.00 0.00 C ATOM 640 CG LYS A 42 7.145 -6.156 12.677 1.00 0.00 C ATOM 641 CD LYS A 42 5.990 -6.935 13.283 1.00 0.00 C ATOM 642 CE LYS A 42 4.665 -6.559 12.639 1.00 0.00 C ATOM 643 NZ LYS A 42 3.566 -7.472 13.057 1.00 0.00 N ATOM 0 H LYS A 42 8.181 -3.331 11.355 1.00 0.00 H new ATOM 0 HA LYS A 42 5.530 -4.338 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.180 -4.356 13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.754 -4.665 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.075 -6.187 11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.088 -6.631 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.166 -8.004 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.942 -6.742 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.408 -5.535 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.768 -6.587 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.680 -7.182 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.799 -8.446 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.451 -7.426 14.090 1.00 0.00 H new ATOM 657 N ASP A 43 6.546 -1.678 13.453 1.00 0.00 N ATOM 658 CA ASP A 43 6.085 -0.550 14.254 1.00 0.00 C ATOM 659 C ASP A 43 6.662 0.761 13.729 1.00 0.00 C ATOM 660 O ASP A 43 7.392 0.776 12.739 1.00 0.00 O ATOM 661 CB ASP A 43 6.477 -0.744 15.720 1.00 0.00 C ATOM 662 CG ASP A 43 6.323 -2.182 16.175 1.00 0.00 C ATOM 663 OD1 ASP A 43 5.216 -2.548 16.621 1.00 0.00 O ATOM 664 OD2 ASP A 43 7.311 -2.942 16.086 1.00 0.00 O ATOM 0 H ASP A 43 7.535 -1.644 13.206 1.00 0.00 H new ATOM 0 HA ASP A 43 4.999 -0.503 14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.511 -0.430 15.861 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.860 -0.100 16.346 1.00 0.00 H new ATOM 669 N GLU A 44 6.328 1.859 14.400 1.00 0.00 N ATOM 670 CA GLU A 44 6.812 3.175 14.000 1.00 0.00 C ATOM 671 C GLU A 44 8.288 3.341 14.349 1.00 0.00 C ATOM 672 O GLU A 44 8.893 4.372 14.057 1.00 0.00 O ATOM 673 CB GLU A 44 5.989 4.273 14.676 1.00 0.00 C ATOM 674 CG GLU A 44 4.494 4.003 14.673 1.00 0.00 C ATOM 675 CD GLU A 44 3.684 5.203 15.124 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.217 6.331 15.078 1.00 0.00 O ATOM 677 OE2 GLU A 44 2.515 5.013 15.522 1.00 0.00 O ATOM 0 H GLU A 44 5.725 1.863 15.222 1.00 0.00 H new ATOM 0 HA GLU A 44 6.701 3.262 12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.327 4.386 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.179 5.220 14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.182 3.716 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.280 3.158 15.327 1.00 0.00 H new ATOM 684 N GLU A 45 8.861 2.319 14.977 1.00 0.00 N ATOM 685 CA GLU A 45 10.265 2.352 15.368 1.00 0.00 C ATOM 686 C GLU A 45 11.169 2.050 14.176 1.00 0.00 C ATOM 687 O GLU A 45 12.292 2.544 14.095 1.00 0.00 O ATOM 688 CB GLU A 45 10.529 1.347 16.491 1.00 0.00 C ATOM 689 CG GLU A 45 9.746 1.634 17.761 1.00 0.00 C ATOM 690 CD GLU A 45 9.868 0.522 18.784 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.977 -0.653 18.375 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.854 0.827 19.996 1.00 0.00 O ATOM 0 H GLU A 45 8.374 1.458 15.226 1.00 0.00 H new ATOM 0 HA GLU A 45 10.492 3.355 15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.279 0.347 16.138 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.594 1.346 16.723 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.101 2.567 18.199 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.695 1.779 17.511 1.00 0.00 H new ATOM 699 N GLU A 46 10.669 1.233 13.254 1.00 0.00 N ATOM 700 CA GLU A 46 11.431 0.863 12.067 1.00 0.00 C ATOM 701 C GLU A 46 12.657 0.035 12.445 1.00 0.00 C ATOM 702 O GLU A 46 13.765 0.297 11.977 1.00 0.00 O ATOM 703 CB GLU A 46 11.864 2.115 11.301 1.00 0.00 C ATOM 704 CG GLU A 46 10.727 3.084 11.027 1.00 0.00 C ATOM 705 CD GLU A 46 11.211 4.504 10.805 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.752 5.102 11.759 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.049 5.017 9.679 1.00 0.00 O ATOM 0 H GLU A 46 9.740 0.815 13.306 1.00 0.00 H new ATOM 0 HA GLU A 46 10.788 0.259 11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.639 2.629 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.311 1.815 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.175 2.751 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.031 3.068 11.866 1.00 0.00 H new ATOM 714 N LYS A 47 12.449 -0.965 13.294 1.00 0.00 N ATOM 715 CA LYS A 47 13.534 -1.833 13.735 1.00 0.00 C ATOM 716 C LYS A 47 13.914 -2.827 12.643 1.00 0.00 C ATOM 717 O LYS A 47 15.094 -3.018 12.348 1.00 0.00 O ATOM 718 CB LYS A 47 13.130 -2.585 15.005 1.00 0.00 C ATOM 719 CG LYS A 47 12.615 -1.679 16.110 1.00 0.00 C ATOM 720 CD LYS A 47 12.899 -2.259 17.485 1.00 0.00 C ATOM 721 CE LYS A 47 14.249 -1.799 18.015 1.00 0.00 C ATOM 722 NZ LYS A 47 14.866 -2.813 18.915 1.00 0.00 N ATOM 0 H LYS A 47 11.538 -1.195 13.691 1.00 0.00 H new ATOM 0 HA LYS A 47 14.400 -1.208 13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.359 -3.314 14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.990 -3.144 15.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.082 -0.698 16.025 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.542 -1.532 15.991 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.113 -1.958 18.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.879 -3.348 17.433 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.919 -1.600 17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.126 -0.860 18.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.784 -2.462 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.239 -2.984 19.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.007 -3.701 18.393 1.00 0.00 H new ATOM 736 N GLU A 48 12.907 -3.456 12.045 1.00 0.00 N ATOM 737 CA GLU A 48 13.137 -4.430 10.984 1.00 0.00 C ATOM 738 C GLU A 48 12.214 -4.170 9.797 1.00 0.00 C ATOM 739 O GLU A 48 10.993 -4.271 9.912 1.00 0.00 O ATOM 740 CB GLU A 48 12.922 -5.851 11.510 1.00 0.00 C ATOM 741 CG GLU A 48 14.039 -6.339 12.417 1.00 0.00 C ATOM 742 CD GLU A 48 13.908 -7.810 12.763 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.956 -8.165 13.489 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.757 -8.605 12.309 1.00 0.00 O ATOM 0 H GLU A 48 11.925 -3.309 12.277 1.00 0.00 H new ATOM 0 HA GLU A 48 14.169 -4.327 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.979 -5.889 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.828 -6.532 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.999 -6.168 11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.039 -5.752 13.335 1.00 0.00 H new ATOM 751 N LYS A 49 12.808 -3.834 8.656 1.00 0.00 N ATOM 752 CA LYS A 49 12.041 -3.560 7.447 1.00 0.00 C ATOM 753 C LYS A 49 11.656 -4.856 6.741 1.00 0.00 C ATOM 754 O LYS A 49 12.505 -5.708 6.477 1.00 0.00 O ATOM 755 CB LYS A 49 12.848 -2.671 6.498 1.00 0.00 C ATOM 756 CG LYS A 49 12.048 -2.169 5.308 1.00 0.00 C ATOM 757 CD LYS A 49 12.954 -1.609 4.224 1.00 0.00 C ATOM 758 CE LYS A 49 13.653 -0.338 4.683 1.00 0.00 C ATOM 759 NZ LYS A 49 14.756 0.052 3.762 1.00 0.00 N ATOM 0 H LYS A 49 13.818 -3.745 8.544 1.00 0.00 H new ATOM 0 HA LYS A 49 11.128 -3.039 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.233 -1.816 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.711 -3.230 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.451 -2.984 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.351 -1.397 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.699 -2.356 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.367 -1.400 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.928 0.473 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.053 -0.485 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.207 0.922 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.461 -0.711 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.371 0.218 2.810 1.00 0.00 H new ATOM 773 N LYS A 50 10.370 -5.000 6.437 1.00 0.00 N ATOM 774 CA LYS A 50 9.872 -6.191 5.759 1.00 0.00 C ATOM 775 C LYS A 50 10.321 -6.215 4.301 1.00 0.00 C ATOM 776 O LYS A 50 11.133 -7.051 3.905 1.00 0.00 O ATOM 777 CB LYS A 50 8.345 -6.244 5.834 1.00 0.00 C ATOM 778 CG LYS A 50 7.805 -6.214 7.254 1.00 0.00 C ATOM 779 CD LYS A 50 7.660 -7.615 7.825 1.00 0.00 C ATOM 780 CE LYS A 50 7.641 -7.597 9.346 1.00 0.00 C ATOM 781 NZ LYS A 50 9.014 -7.651 9.919 1.00 0.00 N ATOM 0 H LYS A 50 9.654 -4.306 6.650 1.00 0.00 H new ATOM 0 HA LYS A 50 10.285 -7.065 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.933 -5.401 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.996 -7.151 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.474 -5.630 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.837 -5.713 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.740 -8.067 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.484 -8.238 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.138 -6.694 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.061 -8.444 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.958 -7.637 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.485 -8.525 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.560 -6.829 9.591 1.00 0.00 H new ATOM 795 N TYR A 51 9.789 -5.292 3.508 1.00 0.00 N ATOM 796 CA TYR A 51 10.134 -5.208 2.094 1.00 0.00 C ATOM 797 C TYR A 51 9.851 -3.813 1.546 1.00 0.00 C ATOM 798 O TYR A 51 8.757 -3.276 1.718 1.00 0.00 O ATOM 799 CB TYR A 51 9.351 -6.251 1.294 1.00 0.00 C ATOM 800 CG TYR A 51 9.776 -6.346 -0.154 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.482 -5.328 -1.053 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.469 -7.455 -0.624 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.867 -5.411 -2.378 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.859 -7.546 -1.946 1.00 0.00 C ATOM 805 CZ TYR A 51 10.556 -6.522 -2.819 1.00 0.00 C ATOM 806 OH TYR A 51 10.941 -6.610 -4.137 1.00 0.00 O ATOM 0 H TYR A 51 9.117 -4.591 3.820 1.00 0.00 H new ATOM 0 HA TYR A 51 11.201 -5.408 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.475 -7.226 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.289 -6.008 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.943 -4.457 -0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.707 -8.260 0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.630 -4.611 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.398 -8.414 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 51 11.417 -7.454 -4.283 1.00 0.00 H new ATOM 816 N MET A 52 10.846 -3.231 0.884 1.00 0.00 N ATOM 817 CA MET A 52 10.705 -1.899 0.308 1.00 0.00 C ATOM 818 C MET A 52 10.174 -1.977 -1.120 1.00 0.00 C ATOM 819 O MET A 52 10.508 -2.898 -1.868 1.00 0.00 O ATOM 820 CB MET A 52 12.049 -1.168 0.325 1.00 0.00 C ATOM 821 CG MET A 52 11.998 0.212 -0.312 1.00 0.00 C ATOM 822 SD MET A 52 13.624 0.981 -0.432 1.00 0.00 S ATOM 823 CE MET A 52 14.090 0.529 -2.102 1.00 0.00 C ATOM 0 H MET A 52 11.759 -3.661 0.733 1.00 0.00 H new ATOM 0 HA MET A 52 9.989 -1.343 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.388 -1.071 1.357 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.789 -1.773 -0.198 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.564 0.132 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.339 0.854 0.273 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.077 0.933 -2.326 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.114 -0.557 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.363 0.935 -2.805 1.00 0.00 H new ATOM 833 N LEU A 53 9.346 -1.008 -1.493 1.00 0.00 N ATOM 834 CA LEU A 53 8.769 -0.967 -2.832 1.00 0.00 C ATOM 835 C LEU A 53 8.821 0.446 -3.405 1.00 0.00 C ATOM 836 O LEU A 53 8.487 1.425 -2.738 1.00 0.00 O ATOM 837 CB LEU A 53 7.322 -1.463 -2.800 1.00 0.00 C ATOM 838 CG LEU A 53 6.814 -2.131 -4.078 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.526 -3.455 -4.309 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.308 -2.339 -4.008 1.00 0.00 C ATOM 0 H LEU A 53 9.059 -0.240 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 53 9.358 -1.622 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.220 -2.172 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.674 -0.617 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 53 7.032 -1.474 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.151 -3.915 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.598 -3.280 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.340 -4.120 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.963 -2.815 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.068 -2.976 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.813 -1.375 -3.892 1.00 0.00 H new ATOM 852 N PRO A 54 9.250 0.555 -4.671 1.00 0.00 N ATOM 853 CA PRO A 54 9.353 1.843 -5.363 1.00 0.00 C ATOM 854 C PRO A 54 7.987 2.449 -5.669 1.00 0.00 C ATOM 855 O PRO A 54 6.952 1.831 -5.417 1.00 0.00 O ATOM 856 CB PRO A 54 10.085 1.491 -6.661 1.00 0.00 C ATOM 857 CG PRO A 54 9.778 0.052 -6.890 1.00 0.00 C ATOM 858 CD PRO A 54 9.665 -0.570 -5.525 1.00 0.00 C ATOM 0 HA PRO A 54 9.866 2.591 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.738 2.107 -7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.158 1.657 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.850 -0.065 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.565 -0.427 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.932 -1.377 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.614 -0.995 -5.197 1.00 0.00 H new ATOM 866 N LEU A 55 7.991 3.660 -6.214 1.00 0.00 N ATOM 867 CA LEU A 55 6.751 4.349 -6.555 1.00 0.00 C ATOM 868 C LEU A 55 6.788 4.856 -7.994 1.00 0.00 C ATOM 869 O LEU A 55 6.153 5.856 -8.326 1.00 0.00 O ATOM 870 CB LEU A 55 6.514 5.518 -5.597 1.00 0.00 C ATOM 871 CG LEU A 55 6.780 5.237 -4.118 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.783 6.532 -3.321 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.744 4.270 -3.563 1.00 0.00 C ATOM 0 H LEU A 55 8.838 4.185 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 55 5.931 3.637 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.146 6.350 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.480 5.846 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 55 7.763 4.776 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.974 6.312 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.563 7.192 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.814 7.022 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.950 4.082 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.749 4.703 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.790 3.331 -4.115 1.00 0.00 H new ATOM 885 N ASP A 56 7.534 4.158 -8.842 1.00 0.00 N ATOM 886 CA ASP A 56 7.652 4.535 -10.246 1.00 0.00 C ATOM 887 C ASP A 56 7.006 3.486 -11.146 1.00 0.00 C ATOM 888 O ASP A 56 6.437 3.812 -12.187 1.00 0.00 O ATOM 889 CB ASP A 56 9.122 4.716 -10.627 1.00 0.00 C ATOM 890 CG ASP A 56 9.627 6.115 -10.334 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.823 7.067 -10.420 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.827 6.258 -10.019 1.00 0.00 O ATOM 0 H ASP A 56 8.066 3.328 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 56 7.130 5.481 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.728 3.992 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.248 4.502 -11.688 1.00 0.00 H new ATOM 897 N ASN A 57 7.101 2.224 -10.738 1.00 0.00 N ATOM 898 CA ASN A 57 6.527 1.127 -11.509 1.00 0.00 C ATOM 899 C ASN A 57 5.236 0.628 -10.867 1.00 0.00 C ATOM 900 O ASN A 57 4.812 -0.505 -11.099 1.00 0.00 O ATOM 901 CB ASN A 57 7.531 -0.023 -11.622 1.00 0.00 C ATOM 902 CG ASN A 57 8.959 0.468 -11.758 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.756 0.359 -10.826 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.289 1.012 -12.923 1.00 0.00 N ATOM 0 H ASN A 57 7.570 1.936 -9.879 1.00 0.00 H new ATOM 0 HA ASN A 57 6.295 1.499 -12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.451 -0.660 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.278 -0.639 -12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.236 1.360 -13.073 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.596 1.082 -13.668 1.00 0.00 H new ATOM 911 N LEU A 58 4.615 1.481 -10.060 1.00 0.00 N ATOM 912 CA LEU A 58 3.371 1.128 -9.385 1.00 0.00 C ATOM 913 C LEU A 58 2.245 2.075 -9.788 1.00 0.00 C ATOM 914 O LEU A 58 2.475 3.078 -10.464 1.00 0.00 O ATOM 915 CB LEU A 58 3.564 1.164 -7.868 1.00 0.00 C ATOM 916 CG LEU A 58 4.699 0.302 -7.314 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.632 0.242 -5.796 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.643 -1.098 -7.908 1.00 0.00 C ATOM 0 H LEU A 58 4.952 2.422 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 58 3.096 0.117 -9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.740 2.197 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.633 0.850 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 58 5.648 0.758 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.447 -0.376 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.721 1.249 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.679 -0.190 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.458 -1.698 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.690 -1.563 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.741 -1.038 -8.992 1.00 0.00 H new ATOM 930 N LYS A 59 1.027 1.750 -9.369 1.00 0.00 N ATOM 931 CA LYS A 59 -0.136 2.572 -9.683 1.00 0.00 C ATOM 932 C LYS A 59 -1.326 2.185 -8.811 1.00 0.00 C ATOM 933 O LYS A 59 -1.357 1.099 -8.232 1.00 0.00 O ATOM 934 CB LYS A 59 -0.504 2.427 -11.161 1.00 0.00 C ATOM 935 CG LYS A 59 -1.219 3.640 -11.731 1.00 0.00 C ATOM 936 CD LYS A 59 -0.928 3.814 -13.212 1.00 0.00 C ATOM 937 CE LYS A 59 -1.895 3.011 -14.069 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.971 3.537 -15.460 1.00 0.00 N ATOM 0 H LYS A 59 0.819 0.922 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 59 0.119 3.612 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.404 2.247 -11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.139 1.550 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.293 3.534 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.908 4.534 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.997 4.869 -13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.094 3.499 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.580 1.968 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.887 3.035 -13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.640 2.963 -16.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.296 4.525 -15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.030 3.491 -15.900 1.00 0.00 H new ATOM 952 N ILE A 60 -2.305 3.080 -8.724 1.00 0.00 N ATOM 953 CA ILE A 60 -3.498 2.831 -7.925 1.00 0.00 C ATOM 954 C ILE A 60 -4.753 2.847 -8.791 1.00 0.00 C ATOM 955 O ILE A 60 -4.886 3.675 -9.693 1.00 0.00 O ATOM 956 CB ILE A 60 -3.651 3.872 -6.801 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.385 3.917 -5.942 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.868 3.553 -5.945 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.308 5.131 -5.042 1.00 0.00 C ATOM 0 H ILE A 60 -2.295 3.984 -9.197 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.378 1.843 -7.480 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.796 4.854 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.339 3.017 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.512 3.903 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.962 4.298 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.764 3.567 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.751 2.565 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.385 5.097 -4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.322 6.036 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.162 5.136 -4.364 1.00 0.00 H new ATOM 971 N ARG A 61 -5.671 1.929 -8.510 1.00 0.00 N ATOM 972 CA ARG A 61 -6.916 1.838 -9.264 1.00 0.00 C ATOM 973 C ARG A 61 -8.083 1.488 -8.345 1.00 0.00 C ATOM 974 O ARG A 61 -7.889 0.951 -7.254 1.00 0.00 O ATOM 975 CB ARG A 61 -6.792 0.788 -10.370 1.00 0.00 C ATOM 976 CG ARG A 61 -6.267 -0.552 -9.882 1.00 0.00 C ATOM 977 CD ARG A 61 -6.306 -1.600 -10.983 1.00 0.00 C ATOM 978 NE ARG A 61 -7.670 -2.018 -11.294 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.973 -2.880 -12.257 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.013 -3.415 -12.999 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.239 -3.210 -12.480 1.00 0.00 N ATOM 0 H ARG A 61 -5.577 1.238 -7.766 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.110 2.811 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.769 0.640 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.128 1.168 -11.147 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.244 -0.435 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.863 -0.891 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.836 -1.199 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.722 -2.468 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.432 -1.626 -10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.039 -3.164 -12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.249 -4.077 -13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.980 -2.801 -11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.471 -3.872 -13.220 1.00 0.00 H new ATOM 995 N ASP A 62 -9.295 1.798 -8.793 1.00 0.00 N ATOM 996 CA ASP A 62 -10.494 1.516 -8.012 1.00 0.00 C ATOM 997 C ASP A 62 -10.949 0.075 -8.216 1.00 0.00 C ATOM 998 O ASP A 62 -11.188 -0.359 -9.343 1.00 0.00 O ATOM 999 CB ASP A 62 -11.618 2.479 -8.398 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.162 3.925 -8.414 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.121 4.545 -7.331 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -10.848 4.437 -9.509 1.00 0.00 O ATOM 0 H ASP A 62 -9.473 2.244 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.253 1.656 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.000 2.211 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.444 2.369 -7.695 1.00 0.00 H new ATOM 1007 N VAL A 63 -11.067 -0.664 -7.117 1.00 0.00 N ATOM 1008 CA VAL A 63 -11.493 -2.057 -7.175 1.00 0.00 C ATOM 1009 C VAL A 63 -13.001 -2.162 -7.375 1.00 0.00 C ATOM 1010 O VAL A 63 -13.768 -1.388 -6.803 1.00 0.00 O ATOM 1011 CB VAL A 63 -11.102 -2.818 -5.893 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -11.521 -4.277 -5.989 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -9.607 -2.699 -5.640 1.00 0.00 C ATOM 0 H VAL A 63 -10.874 -0.321 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.984 -2.509 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.627 -2.370 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.237 -4.798 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.601 -4.337 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.026 -4.743 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.347 -3.242 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.061 -3.121 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.340 -1.649 -5.524 1.00 0.00 H new ATOM 1023 N GLU A 64 -13.419 -3.126 -8.190 1.00 0.00 N ATOM 1024 CA GLU A 64 -14.836 -3.332 -8.465 1.00 0.00 C ATOM 1025 C GLU A 64 -15.202 -4.809 -8.356 1.00 0.00 C ATOM 1026 O GLU A 64 -15.337 -5.504 -9.364 1.00 0.00 O ATOM 1027 CB GLU A 64 -15.188 -2.809 -9.859 1.00 0.00 C ATOM 1028 CG GLU A 64 -14.258 -3.312 -10.951 1.00 0.00 C ATOM 1029 CD GLU A 64 -14.304 -2.451 -12.199 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -14.173 -1.216 -12.073 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -14.472 -3.015 -13.301 1.00 0.00 O ATOM 0 H GLU A 64 -12.797 -3.776 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.409 -2.778 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.210 -3.102 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.163 -1.719 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.237 -3.339 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.528 -4.336 -11.210 1.00 0.00 H new ATOM 1038 N LYS A 65 -15.361 -5.284 -7.125 1.00 0.00 N ATOM 1039 CA LYS A 65 -15.713 -6.678 -6.882 1.00 0.00 C ATOM 1040 C LYS A 65 -17.201 -6.913 -7.117 1.00 0.00 C ATOM 1041 O LYS A 65 -17.703 -8.020 -6.927 1.00 0.00 O ATOM 1042 CB LYS A 65 -15.343 -7.076 -5.451 1.00 0.00 C ATOM 1043 CG LYS A 65 -16.238 -6.451 -4.395 1.00 0.00 C ATOM 1044 CD LYS A 65 -15.884 -4.992 -4.158 1.00 0.00 C ATOM 1045 CE LYS A 65 -16.248 -4.552 -2.748 1.00 0.00 C ATOM 1046 NZ LYS A 65 -15.504 -5.326 -1.716 1.00 0.00 N ATOM 0 H LYS A 65 -15.252 -4.724 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.151 -7.296 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.392 -8.161 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.310 -6.786 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.279 -6.528 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.143 -7.006 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.817 -4.844 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.407 -4.367 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.031 -3.490 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.320 -4.678 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.389 -4.744 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.035 -6.188 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.568 -5.587 -2.086 1.00 0.00 H new ATOM 1060 N GLY A 66 -17.903 -5.863 -7.534 1.00 0.00 N ATOM 1061 CA GLY A 66 -19.327 -5.977 -7.790 1.00 0.00 C ATOM 1062 C GLY A 66 -20.162 -5.235 -6.766 1.00 0.00 C ATOM 1063 O GLY A 66 -20.855 -4.273 -7.098 1.00 0.00 O ATOM 0 H GLY A 66 -17.511 -4.936 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.546 -5.587 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -19.610 -7.030 -7.791 1.00 0.00 H new ATOM 1067 N PHE A 67 -20.098 -5.683 -5.516 1.00 0.00 N ATOM 1068 CA PHE A 67 -20.855 -5.056 -4.439 1.00 0.00 C ATOM 1069 C PHE A 67 -20.606 -3.551 -4.404 1.00 0.00 C ATOM 1070 O PHE A 67 -19.484 -3.092 -4.612 1.00 0.00 O ATOM 1071 CB PHE A 67 -20.480 -5.679 -3.093 1.00 0.00 C ATOM 1072 CG PHE A 67 -21.174 -6.983 -2.822 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -22.519 -7.011 -2.490 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -20.481 -8.180 -2.898 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -23.161 -8.209 -2.240 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -21.118 -9.381 -2.649 1.00 0.00 C ATOM 1077 CZ PHE A 67 -22.459 -9.396 -2.319 1.00 0.00 C ATOM 0 H PHE A 67 -19.529 -6.478 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 67 -21.915 -5.226 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -19.402 -5.837 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -20.722 -4.976 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -23.072 -6.086 -2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -19.432 -8.175 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -24.210 -8.217 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -20.567 -10.308 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 67 -22.958 -10.334 -2.123 1.00 0.00 H new ATOM 1087 N MET A 68 -21.662 -2.788 -4.138 1.00 0.00 N ATOM 1088 CA MET A 68 -21.558 -1.335 -4.074 1.00 0.00 C ATOM 1089 C MET A 68 -20.991 -0.889 -2.730 1.00 0.00 C ATOM 1090 O MET A 68 -19.998 -0.163 -2.675 1.00 0.00 O ATOM 1091 CB MET A 68 -22.928 -0.694 -4.301 1.00 0.00 C ATOM 1092 CG MET A 68 -23.281 -0.517 -5.769 1.00 0.00 C ATOM 1093 SD MET A 68 -25.060 -0.424 -6.049 1.00 0.00 S ATOM 1094 CE MET A 68 -25.167 1.054 -7.055 1.00 0.00 C ATOM 0 H MET A 68 -22.599 -3.152 -3.963 1.00 0.00 H new ATOM 0 HA MET A 68 -20.878 -1.009 -4.861 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.691 -1.309 -3.824 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.950 0.279 -3.811 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.810 0.391 -6.145 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.870 -1.349 -6.340 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.209 1.245 -7.311 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.768 1.902 -6.499 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.589 0.915 -7.968 1.00 0.00 H new ATOM 1104 N SER A 69 -21.628 -1.328 -1.649 1.00 0.00 N ATOM 1105 CA SER A 69 -21.189 -0.971 -0.305 1.00 0.00 C ATOM 1106 C SER A 69 -19.983 -1.806 0.113 1.00 0.00 C ATOM 1107 O SER A 69 -20.005 -3.033 0.028 1.00 0.00 O ATOM 1108 CB SER A 69 -22.330 -1.165 0.695 1.00 0.00 C ATOM 1109 OG SER A 69 -22.061 -0.490 1.912 1.00 0.00 O ATOM 0 H SER A 69 -22.450 -1.931 -1.678 1.00 0.00 H new ATOM 0 HA SER A 69 -20.896 0.079 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.261 -0.792 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 69 -22.471 -2.228 0.889 1.00 0.00 H new ATOM 0 HG SER A 69 -22.806 -0.628 2.534 1.00 0.00 H new ATOM 1115 N ASN A 70 -18.931 -1.131 0.564 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.714 -1.810 0.995 1.00 0.00 C ATOM 1117 C ASN A 70 -16.717 -0.818 1.585 1.00 0.00 C ATOM 1118 O ASN A 70 -16.802 0.386 1.340 1.00 0.00 O ATOM 1119 CB ASN A 70 -17.076 -2.553 -0.180 1.00 0.00 C ATOM 1120 CG ASN A 70 -17.095 -1.737 -1.458 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -17.909 -1.978 -2.350 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -16.195 -0.766 -1.553 1.00 0.00 N ATOM 0 H ASN A 70 -18.896 -0.114 0.641 1.00 0.00 H new ATOM 0 HA ASN A 70 -17.984 -2.530 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -16.046 -2.807 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -17.605 -3.492 -0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.159 -0.184 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.539 -0.602 -0.789 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.771 -1.331 2.365 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.756 -0.491 2.990 1.00 0.00 C ATOM 1131 C LYS A 71 -13.824 0.108 1.941 1.00 0.00 C ATOM 1132 O LYS A 71 -13.581 -0.495 0.895 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.945 -1.304 4.002 1.00 0.00 C ATOM 1134 CG LYS A 71 -13.415 -0.478 5.160 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.116 -1.344 6.372 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.300 -0.571 7.669 1.00 0.00 C ATOM 1137 NZ LYS A 71 -12.130 0.299 7.968 1.00 0.00 N ATOM 0 H LYS A 71 -15.686 -2.325 2.579 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.263 0.323 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.570 -2.106 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.107 -1.775 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.509 0.043 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.146 0.285 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.773 -2.214 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.093 -1.716 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.200 0.041 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.451 -1.271 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.272 0.769 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.267 -0.281 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.032 1.017 7.222 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.305 1.298 2.227 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.399 1.977 1.309 1.00 0.00 C ATOM 1153 C HIS A 72 -11.076 1.225 1.195 1.00 0.00 C ATOM 1154 O HIS A 72 -10.234 1.290 2.091 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.145 3.411 1.776 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.298 4.010 2.522 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.294 4.739 1.908 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.610 3.984 3.839 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.168 5.137 2.814 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.777 4.691 3.994 1.00 0.00 N ATOM 0 H HIS A 72 -13.497 1.811 3.087 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.869 2.001 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.262 3.425 2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.921 4.033 0.909 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.347 4.940 0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.046 3.498 4.622 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.052 5.727 2.623 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.900 0.511 0.088 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.680 -0.253 -0.144 1.00 0.00 C ATOM 1171 C VAL A 73 -9.153 -0.033 -1.557 1.00 0.00 C ATOM 1172 O VAL A 73 -9.873 -0.228 -2.537 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.911 -1.760 0.078 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -8.671 -2.552 -0.306 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -10.302 -2.032 1.523 1.00 0.00 C ATOM 0 H VAL A 73 -11.587 0.446 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.942 0.104 0.574 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.732 -2.083 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.853 -3.614 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.441 -2.381 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.829 -2.229 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.461 -3.101 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.505 -1.695 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.221 -1.495 1.759 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.892 0.373 -1.656 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.268 0.620 -2.951 1.00 0.00 C ATOM 1187 C PHE A 74 -6.163 -0.396 -3.225 1.00 0.00 C ATOM 1188 O PHE A 74 -5.297 -0.629 -2.382 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.697 2.039 -3.003 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.629 2.293 -1.977 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.966 2.636 -0.678 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.289 2.188 -2.312 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.986 2.872 0.267 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.304 2.422 -1.371 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.653 2.763 -0.079 1.00 0.00 C ATOM 0 H PHE A 74 -7.282 0.538 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.032 0.515 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.286 2.221 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.507 2.754 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.006 2.720 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.011 1.920 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.262 3.142 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.263 2.338 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.886 2.944 0.659 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.201 -0.998 -4.409 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.203 -1.987 -4.795 1.00 0.00 C ATOM 1207 C ALA A 75 -4.076 -1.346 -5.598 1.00 0.00 C ATOM 1208 O ALA A 75 -4.302 -0.406 -6.361 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.852 -3.107 -5.594 1.00 0.00 C ATOM 0 H ALA A 75 -6.912 -0.818 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.772 -2.406 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.095 -3.839 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.617 -3.591 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.310 -2.694 -6.493 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.863 -1.859 -5.421 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.702 -1.336 -6.130 1.00 0.00 C ATOM 1217 C ILE A 76 -1.105 -2.388 -7.059 1.00 0.00 C ATOM 1218 O ILE A 76 -0.713 -3.469 -6.620 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.614 -0.856 -5.151 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.103 0.366 -4.370 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.669 -0.533 -5.902 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.260 0.684 -3.155 1.00 0.00 C ATOM 0 H ILE A 76 -2.659 -2.636 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.049 -0.488 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.405 -1.657 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.111 1.231 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.132 0.197 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.428 -0.195 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.024 -1.426 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.476 0.254 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.665 1.561 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.272 -0.165 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.765 0.885 -3.466 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.038 -2.063 -8.345 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.488 -2.979 -9.338 1.00 0.00 C ATOM 1236 C PHE A 77 0.783 -2.409 -9.960 1.00 0.00 C ATOM 1237 O PHE A 77 1.095 -1.231 -9.789 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.521 -3.262 -10.430 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.954 -2.034 -11.179 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -3.023 -1.275 -10.732 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -1.291 -1.639 -12.330 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -3.423 -0.144 -11.418 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.686 -0.509 -13.020 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.754 0.239 -12.564 1.00 0.00 C ATOM 0 H PHE A 77 -1.358 -1.172 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.237 -3.912 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.104 -3.980 -11.136 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.396 -3.730 -9.979 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.550 -1.571 -9.837 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.456 -2.221 -12.692 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.258 0.440 -11.058 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.160 -0.211 -13.915 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.065 1.122 -13.103 1.00 0.00 H new ATOM 1254 N ASN A 78 1.512 -3.253 -10.682 1.00 0.00 N ATOM 1255 CA ASN A 78 2.750 -2.834 -11.329 1.00 0.00 C ATOM 1256 C ASN A 78 2.483 -2.346 -12.749 1.00 0.00 C ATOM 1257 O ASN A 78 2.212 -3.139 -13.651 1.00 0.00 O ATOM 1258 CB ASN A 78 3.753 -3.990 -11.355 1.00 0.00 C ATOM 1259 CG ASN A 78 5.190 -3.510 -11.277 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.770 -3.427 -10.195 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.770 -3.191 -12.428 1.00 0.00 N ATOM 0 H ASN A 78 1.267 -4.231 -10.834 1.00 0.00 H new ATOM 0 HA ASN A 78 3.171 -2.010 -10.753 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.551 -4.661 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.615 -4.567 -12.269 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.735 -2.861 -12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.250 -3.276 -13.302 1.00 0.00 H new ATOM 1268 N THR A 79 2.562 -1.032 -12.942 1.00 0.00 N ATOM 1269 CA THR A 79 2.329 -0.437 -14.252 1.00 0.00 C ATOM 1270 C THR A 79 2.884 -1.319 -15.364 1.00 0.00 C ATOM 1271 O THR A 79 2.380 -1.310 -16.486 1.00 0.00 O ATOM 1272 CB THR A 79 2.966 0.962 -14.355 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.349 0.898 -13.989 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.243 1.953 -13.455 1.00 0.00 C ATOM 0 H THR A 79 2.786 -0.361 -12.207 1.00 0.00 H new ATOM 0 HA THR A 79 1.249 -0.346 -14.370 1.00 0.00 H new ATOM 0 HB THR A 79 2.879 1.302 -15.387 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.747 1.791 -14.058 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.710 2.934 -13.544 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.197 2.021 -13.755 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.303 1.616 -12.420 1.00 0.00 H new ATOM 1282 N GLU A 80 3.926 -2.081 -15.044 1.00 0.00 N ATOM 1283 CA GLU A 80 4.550 -2.969 -16.018 1.00 0.00 C ATOM 1284 C GLU A 80 3.797 -4.294 -16.106 1.00 0.00 C ATOM 1285 O GLU A 80 4.394 -5.342 -16.349 1.00 0.00 O ATOM 1286 CB GLU A 80 6.012 -3.224 -15.646 1.00 0.00 C ATOM 1287 CG GLU A 80 6.756 -1.973 -15.210 1.00 0.00 C ATOM 1288 CD GLU A 80 7.063 -1.044 -16.368 1.00 0.00 C ATOM 1289 OE1 GLU A 80 7.617 -1.520 -17.381 1.00 0.00 O ATOM 1290 OE2 GLU A 80 6.749 0.160 -16.261 1.00 0.00 O ATOM 0 H GLU A 80 4.355 -2.101 -14.119 1.00 0.00 H new ATOM 0 HA GLU A 80 4.511 -2.483 -16.993 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.051 -3.958 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.525 -3.662 -16.502 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.160 -1.440 -14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.688 -2.260 -14.723 1.00 0.00 H new ATOM 1297 N GLN A 81 2.484 -4.236 -15.907 1.00 0.00 N ATOM 1298 CA GLN A 81 1.651 -5.431 -15.963 1.00 0.00 C ATOM 1299 C GLN A 81 2.407 -6.648 -15.439 1.00 0.00 C ATOM 1300 O GLN A 81 2.287 -7.746 -15.982 1.00 0.00 O ATOM 1301 CB GLN A 81 1.182 -5.685 -17.397 1.00 0.00 C ATOM 1302 CG GLN A 81 0.048 -6.692 -17.497 1.00 0.00 C ATOM 1303 CD GLN A 81 -1.275 -6.130 -17.015 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -1.577 -4.955 -17.224 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -2.074 -6.969 -16.366 1.00 0.00 N ATOM 0 H GLN A 81 1.975 -3.375 -15.706 1.00 0.00 H new ATOM 0 HA GLN A 81 0.781 -5.266 -15.328 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.859 -4.742 -17.837 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.026 -6.040 -17.989 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.055 -7.016 -18.533 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.299 -7.575 -16.910 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.784 -7.935 -16.215 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.978 -6.647 -16.019 1.00 0.00 H new ATOM 1314 N ARG A 82 3.186 -6.444 -14.382 1.00 0.00 N ATOM 1315 CA ARG A 82 3.963 -7.524 -13.786 1.00 0.00 C ATOM 1316 C ARG A 82 3.643 -7.669 -12.301 1.00 0.00 C ATOM 1317 O ARG A 82 3.057 -6.775 -11.692 1.00 0.00 O ATOM 1318 CB ARG A 82 5.460 -7.267 -13.973 1.00 0.00 C ATOM 1319 CG ARG A 82 6.014 -6.195 -13.050 1.00 0.00 C ATOM 1320 CD ARG A 82 7.534 -6.164 -13.080 1.00 0.00 C ATOM 1321 NE ARG A 82 8.119 -7.080 -12.104 1.00 0.00 N ATOM 1322 CZ ARG A 82 9.353 -6.956 -11.628 1.00 0.00 C ATOM 1323 NH1 ARG A 82 10.128 -5.961 -12.037 1.00 0.00 N ATOM 1324 NH2 ARG A 82 9.815 -7.829 -10.742 1.00 0.00 N ATOM 0 H ARG A 82 3.296 -5.541 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 82 3.694 -8.452 -14.290 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.003 -8.197 -13.804 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.643 -6.974 -15.007 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.623 -5.221 -13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.673 -6.379 -12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.882 -6.427 -14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.880 -5.150 -12.879 1.00 0.00 H new ATOM 0 HE ARG A 82 7.549 -7.857 -11.770 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.777 -5.288 -12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.075 -5.868 -11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.222 -8.597 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.763 -7.733 -10.377 1.00 0.00 H new ATOM 1338 N ASN A 83 4.031 -8.802 -11.725 1.00 0.00 N ATOM 1339 CA ASN A 83 3.784 -9.065 -10.312 1.00 0.00 C ATOM 1340 C ASN A 83 4.188 -7.868 -9.457 1.00 0.00 C ATOM 1341 O ASN A 83 4.892 -6.970 -9.920 1.00 0.00 O ATOM 1342 CB ASN A 83 4.552 -10.310 -9.862 1.00 0.00 C ATOM 1343 CG ASN A 83 5.989 -10.308 -10.344 1.00 0.00 C ATOM 1344 OD1 ASN A 83 6.564 -9.253 -10.615 1.00 0.00 O ATOM 1345 ND2 ASN A 83 6.577 -11.494 -10.455 1.00 0.00 N ATOM 0 H ASN A 83 4.518 -9.553 -12.215 1.00 0.00 H new ATOM 0 HA ASN A 83 2.716 -9.238 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.537 -10.369 -8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.047 -11.200 -10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.543 -11.556 -10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.062 -12.342 -10.219 1.00 0.00 H new ATOM 1352 N VAL A 84 3.737 -7.861 -8.207 1.00 0.00 N ATOM 1353 CA VAL A 84 4.052 -6.776 -7.286 1.00 0.00 C ATOM 1354 C VAL A 84 4.636 -7.312 -5.984 1.00 0.00 C ATOM 1355 O VAL A 84 5.766 -6.988 -5.618 1.00 0.00 O ATOM 1356 CB VAL A 84 2.805 -5.930 -6.968 1.00 0.00 C ATOM 1357 CG1 VAL A 84 3.100 -4.946 -5.846 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.323 -5.202 -8.213 1.00 0.00 C ATOM 0 H VAL A 84 3.152 -8.595 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 84 4.792 -6.146 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 84 2.010 -6.597 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.208 -4.357 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.394 -5.493 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.910 -4.282 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.441 -4.609 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.112 -4.545 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.070 -5.929 -8.984 1.00 0.00 H new ATOM 1368 N TYR A 85 3.858 -8.134 -5.288 1.00 0.00 N ATOM 1369 CA TYR A 85 4.297 -8.714 -4.024 1.00 0.00 C ATOM 1370 C TYR A 85 4.799 -10.140 -4.225 1.00 0.00 C ATOM 1371 O TYR A 85 4.719 -10.691 -5.323 1.00 0.00 O ATOM 1372 CB TYR A 85 3.152 -8.702 -3.009 1.00 0.00 C ATOM 1373 CG TYR A 85 3.605 -8.929 -1.584 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.321 -7.955 -0.899 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.316 -10.116 -0.923 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.737 -8.157 0.402 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.727 -10.327 0.379 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.437 -9.344 1.037 1.00 0.00 C ATOM 1379 OH TYR A 85 4.849 -9.551 2.334 1.00 0.00 O ATOM 0 H TYR A 85 2.921 -8.414 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 85 5.119 -8.109 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.634 -7.745 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.430 -9.472 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.556 -7.024 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.760 -10.887 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.294 -7.390 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.494 -11.256 0.879 1.00 0.00 H new ATOM 0 HH TYR A 85 4.555 -10.437 2.633 1.00 0.00 H new ATOM 1389 N LYS A 86 5.317 -10.734 -3.155 1.00 0.00 N ATOM 1390 CA LYS A 86 5.831 -12.098 -3.210 1.00 0.00 C ATOM 1391 C LYS A 86 4.880 -13.008 -3.980 1.00 0.00 C ATOM 1392 O LYS A 86 5.236 -13.551 -5.026 1.00 0.00 O ATOM 1393 CB LYS A 86 6.042 -12.642 -1.796 1.00 0.00 C ATOM 1394 CG LYS A 86 7.426 -12.362 -1.235 1.00 0.00 C ATOM 1395 CD LYS A 86 7.493 -10.995 -0.574 1.00 0.00 C ATOM 1396 CE LYS A 86 7.122 -11.070 0.899 1.00 0.00 C ATOM 1397 NZ LYS A 86 8.300 -11.388 1.752 1.00 0.00 N ATOM 0 H LYS A 86 5.392 -10.292 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 86 6.788 -12.078 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.295 -12.205 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.873 -13.719 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.688 -13.132 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.163 -12.416 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.499 -10.589 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.818 -10.309 -1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.692 -10.119 1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.354 -11.830 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.006 -11.430 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.696 -12.307 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.023 -10.649 1.635 1.00 0.00 H new ATOM 1411 N ASP A 87 3.669 -13.168 -3.457 1.00 0.00 N ATOM 1412 CA ASP A 87 2.665 -14.011 -4.098 1.00 0.00 C ATOM 1413 C ASP A 87 1.316 -13.301 -4.154 1.00 0.00 C ATOM 1414 O ASP A 87 0.274 -13.904 -3.895 1.00 0.00 O ATOM 1415 CB ASP A 87 2.528 -15.336 -3.348 1.00 0.00 C ATOM 1416 CG ASP A 87 2.557 -15.156 -1.843 1.00 0.00 C ATOM 1417 OD1 ASP A 87 3.663 -14.989 -1.286 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.474 -15.181 -1.221 1.00 0.00 O ATOM 0 H ASP A 87 3.359 -12.726 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 87 2.992 -14.212 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.593 -15.818 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.336 -16.004 -3.647 1.00 0.00 H new ATOM 1423 N LEU A 88 1.343 -12.017 -4.492 1.00 0.00 N ATOM 1424 CA LEU A 88 0.122 -11.224 -4.581 1.00 0.00 C ATOM 1425 C LEU A 88 0.233 -10.175 -5.683 1.00 0.00 C ATOM 1426 O LEU A 88 0.915 -9.162 -5.523 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.167 -10.544 -3.241 1.00 0.00 C ATOM 1428 CG LEU A 88 0.072 -11.393 -1.993 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.066 -10.522 -0.746 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.978 -12.489 -1.884 1.00 0.00 C ATOM 0 H LEU A 88 2.197 -11.503 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.701 -11.896 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.450 -9.648 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.206 -10.216 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 88 1.052 -11.863 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.238 -11.144 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.855 -9.774 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.899 -10.024 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.792 -13.083 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.969 -12.039 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.927 -13.131 -2.763 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.444 -10.423 -6.799 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.422 -9.500 -7.928 1.00 0.00 C ATOM 1444 C ARG A 89 -0.551 -8.056 -7.451 1.00 0.00 C ATOM 1445 O ARG A 89 0.182 -7.176 -7.901 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.552 -9.829 -8.905 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.157 -10.829 -9.979 1.00 0.00 C ATOM 1448 CD ARG A 89 -0.575 -10.135 -11.200 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.613 -9.539 -12.037 1.00 0.00 N ATOM 1450 CZ ARG A 89 -2.463 -10.249 -12.771 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.399 -11.573 -12.771 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.380 -9.634 -13.506 1.00 0.00 N ATOM 0 H ARG A 89 -1.015 -11.255 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 89 0.534 -9.612 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.400 -10.225 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.887 -8.909 -9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.426 -11.529 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.029 -11.413 -10.272 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.121 -9.360 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.004 -10.854 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.690 -8.522 -12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.696 -12.050 -12.206 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.053 -12.115 -13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.433 -8.615 -13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.032 -10.180 -14.069 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.489 -7.821 -6.539 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.715 -6.484 -6.003 1.00 0.00 C ATOM 1468 C GLN A 90 -1.830 -6.519 -4.483 1.00 0.00 C ATOM 1469 O GLN A 90 -2.308 -7.498 -3.909 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.982 -5.876 -6.608 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.118 -6.873 -6.769 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.308 -6.288 -7.504 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.177 -5.791 -8.623 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.477 -6.345 -6.878 1.00 0.00 N ATOM 0 H GLN A 90 -2.104 -8.539 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.859 -5.864 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.318 -5.054 -5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.742 -5.451 -7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.755 -7.747 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.437 -7.217 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.539 -6.766 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.313 -5.968 -7.324 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.387 -5.446 -3.836 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.442 -5.355 -2.382 1.00 0.00 C ATOM 1485 C ILE A 91 -2.637 -4.525 -1.928 1.00 0.00 C ATOM 1486 O ILE A 91 -2.586 -3.295 -1.924 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.153 -4.736 -1.808 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.056 -5.606 -2.157 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.273 -4.565 -0.302 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.382 -4.904 -1.966 1.00 0.00 C ATOM 0 H ILE A 91 -0.986 -4.628 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.546 -6.373 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.009 -3.752 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.037 -6.504 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.972 -5.931 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.645 -4.127 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.113 -3.908 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.437 -5.537 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.194 -5.581 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.422 -4.021 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.488 -4.603 -0.924 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.712 -5.206 -1.543 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.921 -4.530 -1.086 1.00 0.00 C ATOM 1504 C GLU A 92 -4.694 -3.870 0.272 1.00 0.00 C ATOM 1505 O GLU A 92 -4.087 -4.459 1.167 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.083 -5.522 -0.996 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.572 -6.011 -2.348 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.002 -6.512 -2.306 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.228 -7.614 -1.764 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.895 -5.802 -2.813 1.00 0.00 O ATOM 0 H GLU A 92 -3.770 -6.224 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.170 -3.755 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.772 -6.380 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.912 -5.051 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.497 -5.200 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.921 -6.812 -2.697 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.186 -2.645 0.416 1.00 0.00 N ATOM 1518 CA LEU A 93 -5.037 -1.903 1.663 1.00 0.00 C ATOM 1519 C LEU A 93 -6.367 -1.295 2.097 1.00 0.00 C ATOM 1520 O LEU A 93 -6.968 -0.508 1.366 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.988 -0.802 1.503 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.591 -1.261 1.082 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.875 -0.160 0.316 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.779 -1.682 2.298 1.00 0.00 C ATOM 0 H LEU A 93 -5.691 -2.144 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.708 -2.600 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.351 -0.087 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.903 -0.268 2.450 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.696 -2.123 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.883 -0.505 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.447 0.094 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.781 0.722 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.788 -2.006 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.683 -0.838 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.283 -2.504 2.805 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.820 -1.663 3.291 1.00 0.00 N ATOM 1537 CA ALA A 94 -8.076 -1.151 3.823 1.00 0.00 C ATOM 1538 C ALA A 94 -7.833 0.007 4.785 1.00 0.00 C ATOM 1539 O ALA A 94 -6.820 0.043 5.486 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.848 -2.263 4.518 1.00 0.00 C ATOM 0 H ALA A 94 -6.335 -2.314 3.908 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.670 -0.778 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.784 -1.866 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.062 -3.058 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.251 -2.663 5.338 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.765 0.953 4.813 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.651 2.114 5.689 1.00 0.00 C ATOM 1548 C CYS A 95 -9.892 2.259 6.563 1.00 0.00 C ATOM 1549 O CYS A 95 -10.952 1.716 6.250 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.443 3.383 4.862 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.759 3.590 4.237 1.00 0.00 S ATOM 0 H CYS A 95 -9.608 0.939 4.239 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.788 1.966 6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.133 3.371 4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.701 4.248 5.473 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.684 4.690 3.548 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.753 2.994 7.661 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.862 3.211 8.582 1.00 0.00 C ATOM 1559 C ASP A 96 -12.032 3.889 7.874 1.00 0.00 C ATOM 1560 O ASP A 96 -13.185 3.492 8.040 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.408 4.060 9.771 1.00 0.00 C ATOM 1562 CG ASP A 96 -9.427 3.327 10.664 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -9.703 2.163 11.019 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -8.382 3.919 11.009 1.00 0.00 O ATOM 0 H ASP A 96 -8.883 3.450 7.935 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.195 2.239 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.946 4.977 9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.279 4.354 10.357 1.00 0.00 H new ATOM 1569 N SER A 97 -11.725 4.915 7.086 1.00 0.00 N ATOM 1570 CA SER A 97 -12.751 5.651 6.357 1.00 0.00 C ATOM 1571 C SER A 97 -12.146 6.395 5.170 1.00 0.00 C ATOM 1572 O SER A 97 -10.929 6.552 5.079 1.00 0.00 O ATOM 1573 CB SER A 97 -13.457 6.640 7.287 1.00 0.00 C ATOM 1574 OG SER A 97 -14.466 5.995 8.045 1.00 0.00 O ATOM 0 H SER A 97 -10.775 5.255 6.936 1.00 0.00 H new ATOM 0 HA SER A 97 -13.480 4.933 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.729 7.096 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.898 7.445 6.700 1.00 0.00 H new ATOM 0 HG SER A 97 -14.249 5.044 8.137 1.00 0.00 H new ATOM 1580 N GLN A 98 -13.005 6.851 4.265 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.556 7.578 3.083 1.00 0.00 C ATOM 1582 C GLN A 98 -11.493 8.608 3.450 1.00 0.00 C ATOM 1583 O GLN A 98 -10.464 8.716 2.784 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.739 8.268 2.402 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.408 8.827 1.028 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.644 7.824 -0.083 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.656 7.883 -0.783 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.710 6.895 -0.251 1.00 0.00 N ATOM 0 H GLN A 98 -14.016 6.730 4.327 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.117 6.860 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.559 7.556 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.092 9.079 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.014 9.715 0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.365 9.144 1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.887 6.884 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.815 6.193 -0.983 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.750 9.364 4.513 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.815 10.387 4.967 1.00 0.00 C ATOM 1599 C GLU A 99 -9.373 9.912 4.814 1.00 0.00 C ATOM 1600 O GLU A 99 -8.580 10.523 4.097 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.092 10.751 6.427 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.385 11.524 6.627 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.619 11.904 8.076 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -11.727 12.541 8.675 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -13.694 11.563 8.612 1.00 0.00 O ATOM 0 H GLU A 99 -12.597 9.287 5.076 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.955 11.272 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.130 9.837 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.261 11.344 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.362 12.427 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.222 10.922 6.273 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.041 8.820 5.492 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.695 8.262 5.433 1.00 0.00 C ATOM 1614 C ASP A 100 -7.245 8.082 3.986 1.00 0.00 C ATOM 1615 O ASP A 100 -6.274 8.697 3.546 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.643 6.920 6.166 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.916 7.061 7.651 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -9.100 7.005 8.044 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.946 7.229 8.419 1.00 0.00 O ATOM 0 H ASP A 100 -9.686 8.303 6.090 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.017 8.961 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.375 6.241 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.662 6.468 6.021 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.958 7.235 3.251 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.632 6.974 1.854 1.00 0.00 C ATOM 1626 C VAL A 101 -7.301 8.267 1.116 1.00 0.00 C ATOM 1627 O VAL A 101 -6.150 8.510 0.755 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.793 6.266 1.130 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.508 6.161 -0.361 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.036 4.890 1.732 1.00 0.00 C ATOM 0 H VAL A 101 -8.765 6.718 3.600 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.758 6.322 1.849 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.697 6.861 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.339 5.658 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.387 7.160 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.593 5.589 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.859 4.404 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.135 4.285 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.288 4.994 2.787 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.318 9.092 0.895 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.135 10.362 0.202 1.00 0.00 C ATOM 1642 C ASP A 102 -6.780 10.975 0.539 1.00 0.00 C ATOM 1643 O ASP A 102 -6.052 11.423 -0.348 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.256 11.336 0.572 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.365 12.491 -0.404 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.400 12.234 -1.626 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.416 13.651 0.054 1.00 0.00 O ATOM 0 H ASP A 102 -9.278 8.904 1.186 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.170 10.170 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.204 10.799 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.078 11.726 1.574 1.00 0.00 H new ATOM 1652 N SER A 103 -6.448 10.993 1.826 1.00 0.00 N ATOM 1653 CA SER A 103 -5.182 11.556 2.280 1.00 0.00 C ATOM 1654 C SER A 103 -4.003 10.768 1.716 1.00 0.00 C ATOM 1655 O SER A 103 -3.064 11.344 1.167 1.00 0.00 O ATOM 1656 CB SER A 103 -5.121 11.560 3.809 1.00 0.00 C ATOM 1657 OG SER A 103 -3.996 12.286 4.273 1.00 0.00 O ATOM 0 H SER A 103 -7.038 10.624 2.572 1.00 0.00 H new ATOM 0 HA SER A 103 -5.118 12.582 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.033 12.001 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.073 10.535 4.177 1.00 0.00 H new ATOM 0 HG SER A 103 -3.981 12.275 5.253 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.060 9.449 1.856 1.00 0.00 N ATOM 1664 CA TRP A 104 -2.998 8.581 1.360 1.00 0.00 C ATOM 1665 C TRP A 104 -2.815 8.750 -0.144 1.00 0.00 C ATOM 1666 O TRP A 104 -1.689 8.814 -0.640 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.310 7.120 1.687 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.794 6.688 3.026 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.537 6.312 4.109 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.422 6.590 3.425 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.709 5.986 5.156 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.407 6.147 4.762 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.205 6.831 2.782 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.223 5.942 5.465 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.969 6.627 3.481 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.954 6.186 4.811 1.00 0.00 C ATOM 0 H TRP A 104 -4.830 8.957 2.309 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.069 8.866 1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.389 6.971 1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.878 6.482 0.916 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.616 6.276 4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.015 5.674 6.078 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.183 7.171 1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.233 5.602 6.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.915 6.811 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.889 6.036 5.330 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.927 8.822 -0.867 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.890 8.984 -2.316 1.00 0.00 C ATOM 1689 C LYS A 105 -3.194 10.286 -2.699 1.00 0.00 C ATOM 1690 O LYS A 105 -2.297 10.297 -3.541 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.309 8.965 -2.888 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.952 7.589 -2.873 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.335 7.612 -3.502 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.783 6.218 -3.916 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.158 6.224 -4.487 1.00 0.00 N ATOM 0 H LYS A 105 -4.866 8.771 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.324 8.152 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.931 9.654 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.283 9.334 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.318 6.885 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.025 7.232 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.051 8.030 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.329 8.267 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.086 5.816 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.752 5.555 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.426 5.256 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.827 6.584 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.182 6.837 -5.327 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.612 11.382 -2.074 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.026 12.689 -2.347 1.00 0.00 C ATOM 1711 C ALA A 106 -1.529 12.690 -2.060 1.00 0.00 C ATOM 1712 O ALA A 106 -0.762 13.394 -2.716 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.724 13.762 -1.526 1.00 0.00 C ATOM 0 H ALA A 106 -4.355 11.391 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.166 12.909 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.276 14.733 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.783 13.786 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.614 13.538 -0.465 1.00 0.00 H new ATOM 1719 N SER A 107 -1.120 11.896 -1.075 1.00 0.00 N ATOM 1720 CA SER A 107 0.286 11.809 -0.698 1.00 0.00 C ATOM 1721 C SER A 107 1.101 11.125 -1.791 1.00 0.00 C ATOM 1722 O SER A 107 2.143 11.628 -2.212 1.00 0.00 O ATOM 1723 CB SER A 107 0.437 11.046 0.619 1.00 0.00 C ATOM 1724 OG SER A 107 1.801 10.900 0.972 1.00 0.00 O ATOM 0 H SER A 107 -1.742 11.304 -0.524 1.00 0.00 H new ATOM 0 HA SER A 107 0.664 12.823 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.092 11.575 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.025 10.063 0.528 1.00 0.00 H new ATOM 0 HG SER A 107 2.363 11.088 0.191 1.00 0.00 H new ATOM 1730 N PHE A 108 0.618 9.974 -2.247 1.00 0.00 N ATOM 1731 CA PHE A 108 1.301 9.218 -3.290 1.00 0.00 C ATOM 1732 C PHE A 108 1.679 10.124 -4.459 1.00 0.00 C ATOM 1733 O PHE A 108 2.782 10.033 -4.999 1.00 0.00 O ATOM 1734 CB PHE A 108 0.414 8.073 -3.784 1.00 0.00 C ATOM 1735 CG PHE A 108 0.606 6.794 -3.020 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.708 5.989 -3.257 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.316 6.397 -2.064 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.886 4.811 -2.557 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.142 5.221 -1.360 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.961 4.427 -1.606 1.00 0.00 C ATOM 0 H PHE A 108 -0.244 9.544 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 108 2.214 8.803 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.631 8.376 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.622 7.892 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.436 6.285 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.180 7.014 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.748 4.191 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.868 4.923 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.100 3.508 -1.056 1.00 0.00 H new ATOM 1750 N LEU A 109 0.755 10.997 -4.845 1.00 0.00 N ATOM 1751 CA LEU A 109 0.989 11.920 -5.950 1.00 0.00 C ATOM 1752 C LEU A 109 2.248 12.748 -5.711 1.00 0.00 C ATOM 1753 O LEU A 109 3.128 12.820 -6.568 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.216 12.844 -6.133 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.313 12.338 -7.070 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.358 11.552 -6.294 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.959 13.500 -7.811 1.00 0.00 C ATOM 0 H LEU A 109 -0.163 11.085 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 109 1.130 11.333 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.659 13.029 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.141 13.803 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.859 11.672 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.130 11.200 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.885 10.697 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.809 12.194 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.737 13.121 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.399 14.191 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.204 14.021 -8.399 1.00 0.00 H new ATOM 1769 N ARG A 110 2.327 13.369 -4.539 1.00 0.00 N ATOM 1770 CA ARG A 110 3.478 14.191 -4.186 1.00 0.00 C ATOM 1771 C ARG A 110 4.779 13.508 -4.595 1.00 0.00 C ATOM 1772 O ARG A 110 5.728 14.165 -5.025 1.00 0.00 O ATOM 1773 CB ARG A 110 3.488 14.474 -2.682 1.00 0.00 C ATOM 1774 CG ARG A 110 2.580 15.622 -2.272 1.00 0.00 C ATOM 1775 CD ARG A 110 3.317 16.952 -2.301 1.00 0.00 C ATOM 1776 NE ARG A 110 3.238 17.593 -3.611 1.00 0.00 N ATOM 1777 CZ ARG A 110 2.197 18.313 -4.015 1.00 0.00 C ATOM 1778 NH1 ARG A 110 1.154 18.483 -3.215 1.00 0.00 N ATOM 1779 NH2 ARG A 110 2.199 18.865 -5.222 1.00 0.00 N ATOM 0 H ARG A 110 1.608 13.319 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 110 3.398 15.135 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.183 13.573 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.508 14.699 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.721 15.666 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.193 15.441 -1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.896 17.616 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.363 16.793 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 110 4.025 17.482 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.149 18.061 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.356 19.036 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.000 18.737 -5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.399 19.418 -5.531 1.00 0.00 H new ATOM 1793 N ALA A 111 4.817 12.187 -4.457 1.00 0.00 N ATOM 1794 CA ALA A 111 6.001 11.415 -4.814 1.00 0.00 C ATOM 1795 C ALA A 111 6.137 11.286 -6.327 1.00 0.00 C ATOM 1796 O ALA A 111 7.245 11.228 -6.858 1.00 0.00 O ATOM 1797 CB ALA A 111 5.948 10.039 -4.167 1.00 0.00 C ATOM 0 H ALA A 111 4.041 11.629 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 111 6.877 11.946 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.838 9.473 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.908 10.148 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.060 9.509 -4.512 1.00 0.00 H new ATOM 1803 N GLY A 112 5.001 11.241 -7.017 1.00 0.00 N ATOM 1804 CA GLY A 112 5.016 11.118 -8.463 1.00 0.00 C ATOM 1805 C GLY A 112 4.267 9.893 -8.948 1.00 0.00 C ATOM 1806 O GLY A 112 4.632 9.293 -9.960 1.00 0.00 O ATOM 0 H GLY A 112 4.071 11.288 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.572 12.010 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.048 11.070 -8.810 1.00 0.00 H new ATOM 1810 N VAL A 113 3.217 9.518 -8.225 1.00 0.00 N ATOM 1811 CA VAL A 113 2.414 8.356 -8.587 1.00 0.00 C ATOM 1812 C VAL A 113 1.117 8.775 -9.271 1.00 0.00 C ATOM 1813 O VAL A 113 0.858 8.403 -10.415 1.00 0.00 O ATOM 1814 CB VAL A 113 2.077 7.499 -7.352 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.121 6.377 -7.725 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.348 6.943 -6.728 1.00 0.00 C ATOM 0 H VAL A 113 2.902 10.002 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 113 3.011 7.763 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 113 1.584 8.133 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.895 5.783 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.199 6.802 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.583 5.741 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.092 6.340 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.870 6.324 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.994 7.766 -6.422 1.00 0.00 H new TER 1826 VAL A 113