USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 MET CE :methyl -155:sc= -0.0145 (180deg=0) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.114 K(o=-0.13,f=-3.9) USER MOD Set 2.1: A 93 ASN : amide:sc= -1.86 K(o=-3.2,f=-6.3!) USER MOD Set 2.2: A 95 THR OG1 : rot 170:sc= -1.32 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= 0.171 F(o=-0.68,f=1.4) USER MOD Set 3.2: A 28 THR OG1 : rot 133:sc= 1.19 USER MOD Set 3.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -31:sc= 0.00108 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 126:sc= 2.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.118 (180deg=-0.523) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.288 F(o=-1.1,f=0.29) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -10:sc= 0.293 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD Single : A 49 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 36:sc= 0.784 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.385 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -167:sc=-0.00224 (180deg=-0.183) USER MOD Single : A 59 MET CE :methyl 170:sc= -0.193 (180deg=-0.312) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-0.87) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 165:sc= -0.326 (180deg=-1.43) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -112:sc= -0.387 (180deg=-1.63) USER MOD Single : A 99 ASN : amide:sc= -0.726 K(o=-0.73,f=-1.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 87:sc= 0.0404 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 109 SER OG : rot -38:sc= 0.00427 USER MOD Single : A 111 TYR OH : rot -130:sc= -0.305 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.043 -2.460 -0.084 1.00 25.00 N ATOM 47 CA SER A 4 15.869 -2.320 1.361 1.00 25.00 C ATOM 48 C SER A 4 16.281 -0.929 1.830 1.00 25.00 C ATOM 49 O SER A 4 17.215 -0.327 1.291 1.00 25.00 O ATOM 50 CB SER A 4 16.671 -3.399 2.106 1.00 25.00 C ATOM 51 OG SER A 4 18.071 -3.200 1.975 1.00 25.00 O ATOM 0 HA SER A 4 14.811 -2.453 1.589 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.400 -3.390 3.162 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.406 -4.382 1.718 1.00 25.00 H new ATOM 0 HG SER A 4 18.263 -2.786 1.108 1.00 25.00 H new ATOM 57 N GLY A 5 15.564 -0.437 2.842 1.00 25.00 N ATOM 58 CA GLY A 5 15.839 0.873 3.401 1.00 25.00 C ATOM 59 C GLY A 5 15.404 0.977 4.848 1.00 25.00 C ATOM 60 O GLY A 5 15.924 0.266 5.709 1.00 25.00 O ATOM 0 H GLY A 5 14.790 -0.932 3.286 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.906 1.081 3.328 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.325 1.633 2.813 1.00 25.00 H new ATOM 64 N ALA A 6 14.451 1.879 5.107 1.00 25.00 N ATOM 65 CA ALA A 6 13.860 2.047 6.437 1.00 25.00 C ATOM 66 C ALA A 6 12.403 2.487 6.316 1.00 25.00 C ATOM 67 O ALA A 6 12.106 3.481 5.643 1.00 25.00 O ATOM 68 CB ALA A 6 14.649 3.057 7.257 1.00 25.00 C ATOM 0 H ALA A 6 14.070 2.510 4.403 1.00 25.00 H new ATOM 0 HA ALA A 6 13.897 1.087 6.951 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.191 3.165 8.240 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.676 2.710 7.371 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.646 4.021 6.748 1.00 25.00 H new ATOM 74 N ALA A 7 11.495 1.742 6.963 1.00 25.00 N ATOM 75 CA ALA A 7 10.055 2.013 6.859 1.00 25.00 C ATOM 76 C ALA A 7 9.320 1.778 8.183 1.00 25.00 C ATOM 77 O ALA A 7 9.767 0.996 9.024 1.00 25.00 O ATOM 78 CB ALA A 7 9.441 1.149 5.769 1.00 25.00 C ATOM 0 H ALA A 7 11.731 0.950 7.561 1.00 25.00 H new ATOM 0 HA ALA A 7 9.942 3.067 6.606 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.373 1.356 5.699 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.918 1.374 4.815 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.591 0.097 6.011 1.00 25.00 H new ATOM 84 N ILE A 8 8.183 2.470 8.346 1.00 25.00 N ATOM 85 CA ILE A 8 7.298 2.296 9.507 1.00 25.00 C ATOM 86 C ILE A 8 5.973 1.667 9.047 1.00 25.00 C ATOM 87 O ILE A 8 5.422 2.045 8.010 1.00 25.00 O ATOM 88 CB ILE A 8 7.030 3.653 10.245 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.349 4.243 10.788 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.009 3.485 11.385 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.271 5.698 11.224 1.00 25.00 C ATOM 0 H ILE A 8 7.851 3.165 7.677 1.00 25.00 H new ATOM 0 HA ILE A 8 7.794 1.635 10.218 1.00 25.00 H new ATOM 0 HB ILE A 8 6.606 4.346 9.518 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.676 3.642 11.637 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.115 4.151 10.018 1.00 25.00 H new ATOM 0 HG21 ILE A 8 5.848 4.446 11.874 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.065 3.123 10.978 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.390 2.767 12.112 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.246 6.021 11.590 1.00 25.00 H new ATOM 0 HD12 ILE A 8 7.978 6.317 10.376 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.533 5.800 12.019 1.00 25.00 H new ATOM 103 N PHE A 9 5.480 0.708 9.839 1.00 25.00 N ATOM 104 CA PHE A 9 4.234 -0.002 9.543 1.00 25.00 C ATOM 105 C PHE A 9 3.490 -0.290 10.844 1.00 25.00 C ATOM 106 O PHE A 9 4.031 -0.929 11.742 1.00 25.00 O ATOM 107 CB PHE A 9 4.535 -1.310 8.776 1.00 25.00 C ATOM 108 CG PHE A 9 3.322 -2.038 8.245 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.716 -1.637 7.063 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.796 -3.127 8.924 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.613 -2.305 6.572 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.692 -3.800 8.437 1.00 25.00 C ATOM 113 CZ PHE A 9 1.099 -3.388 7.259 1.00 25.00 C ATOM 0 H PHE A 9 5.933 0.404 10.701 1.00 25.00 H new ATOM 0 HA PHE A 9 3.602 0.621 8.910 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.195 -1.078 7.940 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.082 -1.982 9.437 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.113 -0.792 6.521 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.255 -3.453 9.845 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.151 -1.981 5.651 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.293 -4.647 8.976 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.235 -3.911 6.876 1.00 25.00 H new ATOM 123 N GLU A 10 2.239 0.196 10.927 1.00 25.00 N ATOM 124 CA GLU A 10 1.375 0.052 12.129 1.00 25.00 C ATOM 125 C GLU A 10 1.976 0.758 13.361 1.00 25.00 C ATOM 126 O GLU A 10 1.903 0.260 14.492 1.00 25.00 O ATOM 127 CB GLU A 10 1.074 -1.429 12.435 1.00 25.00 C ATOM 128 CG GLU A 10 0.309 -2.132 11.327 1.00 25.00 C ATOM 129 CD GLU A 10 -0.004 -3.580 11.657 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.795 -4.214 12.377 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.052 -4.082 11.194 1.00 25.00 O ATOM 0 H GLU A 10 1.790 0.703 10.164 1.00 25.00 H new ATOM 0 HA GLU A 10 0.431 0.546 11.899 1.00 25.00 H new ATOM 0 HB2 GLU A 10 2.013 -1.955 12.608 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.499 -1.492 13.359 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.622 -1.597 11.139 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.892 -2.091 10.407 1.00 25.00 H new ATOM 138 N LYS A 11 2.572 1.940 13.110 1.00 25.00 N ATOM 139 CA LYS A 11 3.161 2.831 14.152 1.00 25.00 C ATOM 140 C LYS A 11 4.435 2.255 14.796 1.00 25.00 C ATOM 141 O LYS A 11 5.097 2.938 15.587 1.00 25.00 O ATOM 142 CB LYS A 11 2.134 3.204 15.242 1.00 25.00 C ATOM 143 CG LYS A 11 0.973 4.055 14.724 1.00 25.00 C ATOM 144 CD LYS A 11 -0.100 4.290 15.783 1.00 25.00 C ATOM 145 CE LYS A 11 -0.896 3.028 16.088 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.956 3.267 17.106 1.00 25.00 N ATOM 0 H LYS A 11 2.664 2.316 12.166 1.00 25.00 H new ATOM 0 HA LYS A 11 3.450 3.738 13.622 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.735 2.290 15.682 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.643 3.746 16.039 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.356 5.016 14.381 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.525 3.564 13.860 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.369 4.651 16.698 1.00 25.00 H new ATOM 0 HD3 LYS A 11 -0.779 5.072 15.442 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -1.352 2.657 15.170 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.220 2.251 16.445 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.473 2.382 17.283 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -1.520 3.596 17.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -2.617 3.990 16.756 1.00 25.00 H new ATOM 160 N VAL A 12 4.778 1.008 14.451 1.00 25.00 N ATOM 161 CA VAL A 12 6.031 0.386 14.885 1.00 25.00 C ATOM 162 C VAL A 12 7.086 0.561 13.780 1.00 25.00 C ATOM 163 O VAL A 12 6.878 0.140 12.639 1.00 25.00 O ATOM 164 CB VAL A 12 5.822 -1.122 15.294 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.128 -1.807 15.664 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.801 -1.290 16.425 1.00 25.00 C ATOM 0 H VAL A 12 4.198 0.406 13.867 1.00 25.00 H new ATOM 0 HA VAL A 12 6.391 0.884 15.785 1.00 25.00 H new ATOM 0 HB VAL A 12 5.421 -1.610 14.406 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.930 -2.843 15.938 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.807 -1.780 14.812 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.584 -1.289 16.508 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.696 -2.348 16.666 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.143 -0.749 17.307 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.837 -0.893 16.107 1.00 25.00 H new ATOM 176 N SER A 13 8.205 1.203 14.137 1.00 25.00 N ATOM 177 CA SER A 13 9.255 1.533 13.171 1.00 25.00 C ATOM 178 C SER A 13 10.171 0.341 12.910 1.00 25.00 C ATOM 179 O SER A 13 10.501 -0.416 13.829 1.00 25.00 O ATOM 180 CB SER A 13 10.067 2.745 13.646 1.00 25.00 C ATOM 181 OG SER A 13 11.118 3.054 12.743 1.00 25.00 O ATOM 0 H SER A 13 8.405 1.504 15.091 1.00 25.00 H new ATOM 0 HA SER A 13 8.768 1.788 12.230 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.409 3.608 13.748 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.482 2.542 14.633 1.00 25.00 H new ATOM 0 HG SER A 13 11.615 3.831 13.073 1.00 25.00 H new ATOM 187 N GLY A 14 10.567 0.191 11.645 1.00 25.00 N ATOM 188 CA GLY A 14 11.377 -0.942 11.241 1.00 25.00 C ATOM 189 C GLY A 14 12.148 -0.701 9.961 1.00 25.00 C ATOM 190 O GLY A 14 12.412 0.444 9.584 1.00 25.00 O ATOM 0 H GLY A 14 10.338 0.840 10.892 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.079 -1.181 12.040 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.733 -1.812 11.111 1.00 25.00 H new ATOM 194 N ILE A 15 12.506 -1.803 9.304 1.00 25.00 N ATOM 195 CA ILE A 15 13.257 -1.776 8.049 1.00 25.00 C ATOM 196 C ILE A 15 12.501 -2.582 6.976 1.00 25.00 C ATOM 197 O ILE A 15 11.947 -3.646 7.267 1.00 25.00 O ATOM 198 CB ILE A 15 14.710 -2.335 8.269 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.600 -1.355 9.092 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.409 -2.724 6.958 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.935 -1.899 9.599 1.00 25.00 C ATOM 0 H ILE A 15 12.283 -2.744 9.628 1.00 25.00 H new ATOM 0 HA ILE A 15 13.349 -0.746 7.703 1.00 25.00 H new ATOM 0 HB ILE A 15 14.583 -3.248 8.851 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.802 -0.480 8.475 1.00 25.00 H new ATOM 0 HG13 ILE A 15 15.024 -1.013 9.952 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.408 -3.102 7.176 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.830 -3.497 6.453 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.486 -1.849 6.313 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.457 -1.121 10.155 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.755 -2.753 10.252 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.546 -2.212 8.752 1.00 25.00 H new ATOM 213 N ILE A 16 12.495 -2.063 5.740 1.00 25.00 N ATOM 214 CA ILE A 16 11.790 -2.703 4.624 1.00 25.00 C ATOM 215 C ILE A 16 12.786 -3.423 3.692 1.00 25.00 C ATOM 216 O ILE A 16 13.863 -2.899 3.410 1.00 25.00 O ATOM 217 CB ILE A 16 10.895 -1.646 3.873 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.401 -1.989 4.089 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.228 -1.497 2.373 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.517 -1.829 2.855 1.00 25.00 C ATOM 0 H ILE A 16 12.973 -1.198 5.489 1.00 25.00 H new ATOM 0 HA ILE A 16 11.120 -3.472 5.008 1.00 25.00 H new ATOM 0 HB ILE A 16 11.117 -0.672 4.308 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.327 -3.019 4.439 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.009 -1.353 4.883 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.570 -0.752 1.926 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.265 -1.180 2.260 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.085 -2.454 1.872 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.490 -2.092 3.107 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.553 -0.795 2.513 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.876 -2.486 2.063 1.00 25.00 H new ATOM 232 N ALA A 17 12.413 -4.627 3.239 1.00 25.00 N ATOM 233 CA ALA A 17 13.245 -5.418 2.319 1.00 25.00 C ATOM 234 C ALA A 17 12.400 -6.061 1.216 1.00 25.00 C ATOM 235 O ALA A 17 11.251 -6.431 1.449 1.00 25.00 O ATOM 236 CB ALA A 17 14.018 -6.487 3.086 1.00 25.00 C ATOM 0 H ALA A 17 11.535 -5.078 3.496 1.00 25.00 H new ATOM 0 HA ALA A 17 13.955 -4.740 1.845 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.629 -7.063 2.391 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.662 -6.010 3.825 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.317 -7.152 3.590 1.00 25.00 H new ATOM 242 N ILE A 18 12.981 -6.185 0.012 1.00 25.00 N ATOM 243 CA ILE A 18 12.307 -6.845 -1.117 1.00 25.00 C ATOM 244 C ILE A 18 12.902 -8.247 -1.335 1.00 25.00 C ATOM 245 O ILE A 18 14.124 -8.428 -1.341 1.00 25.00 O ATOM 246 CB ILE A 18 12.394 -6.007 -2.437 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.655 -4.663 -2.259 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.831 -6.788 -3.630 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.935 -3.616 -3.323 1.00 25.00 C ATOM 0 H ILE A 18 13.915 -5.837 -0.204 1.00 25.00 H new ATOM 0 HA ILE A 18 11.251 -6.930 -0.862 1.00 25.00 H new ATOM 0 HB ILE A 18 13.444 -5.804 -2.647 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.583 -4.858 -2.239 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.921 -4.248 -1.287 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.906 -6.179 -4.531 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.401 -7.707 -3.765 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.785 -7.033 -3.443 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.367 -2.712 -3.103 1.00 25.00 H new ATOM 0 HD12 ILE A 18 13.000 -3.382 -3.332 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.640 -4.001 -4.299 1.00 25.00 H new ATOM 261 N ASN A 19 12.006 -9.218 -1.512 1.00 25.00 N ATOM 262 CA ASN A 19 12.371 -10.615 -1.734 1.00 25.00 C ATOM 263 C ASN A 19 12.178 -11.009 -3.207 1.00 25.00 C ATOM 264 O ASN A 19 11.047 -11.161 -3.680 1.00 25.00 O ATOM 265 CB ASN A 19 11.512 -11.513 -0.822 1.00 25.00 C ATOM 266 CG ASN A 19 11.809 -11.330 0.660 1.00 25.00 C ATOM 267 OD1 ASN A 19 10.861 -11.726 1.501 1.00 25.00 O flip ATOM 268 ND2 ASN A 19 12.869 -10.830 1.044 1.00 25.00 N flip ATOM 0 H ASN A 19 10.999 -9.055 -1.505 1.00 25.00 H new ATOM 0 HA ASN A 19 13.425 -10.748 -1.491 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.458 -11.300 -1.003 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.677 -12.556 -1.092 1.00 25.00 H new ATOM 0 HD21 ASN A 19 13.571 -10.539 0.364 1.00 25.00 H new ATOM 0 HD22 ASN A 19 13.043 -10.707 2.042 1.00 25.00 H new ATOM 275 N GLU A 20 13.299 -11.151 -3.924 1.00 25.00 N ATOM 276 CA GLU A 20 13.302 -11.631 -5.312 1.00 25.00 C ATOM 277 C GLU A 20 14.158 -12.902 -5.411 1.00 25.00 C ATOM 278 O GLU A 20 14.881 -13.233 -4.466 1.00 25.00 O ATOM 279 CB GLU A 20 13.819 -10.548 -6.281 1.00 25.00 C ATOM 280 CG GLU A 20 13.007 -9.256 -6.297 1.00 25.00 C ATOM 281 CD GLU A 20 13.563 -8.232 -7.267 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.572 -8.513 -8.485 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.986 -7.153 -6.813 1.00 25.00 O ATOM 0 H GLU A 20 14.228 -10.937 -3.560 1.00 25.00 H new ATOM 0 HA GLU A 20 12.277 -11.863 -5.602 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.849 -10.309 -6.018 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.835 -10.962 -7.289 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.975 -9.483 -6.565 1.00 25.00 H new ATOM 0 HG3 GLU A 20 12.989 -8.829 -5.294 1.00 25.00 H new ATOM 290 N ASP A 21 14.070 -13.621 -6.561 1.00 25.00 N ATOM 291 CA ASP A 21 14.696 -14.965 -6.752 1.00 25.00 C ATOM 292 C ASP A 21 13.973 -16.052 -5.937 1.00 25.00 C ATOM 293 O ASP A 21 14.365 -17.225 -5.928 1.00 25.00 O ATOM 294 CB ASP A 21 16.189 -14.963 -6.416 1.00 25.00 C ATOM 295 CG ASP A 21 17.009 -14.126 -7.379 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.815 -14.269 -8.605 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.846 -13.328 -6.907 1.00 25.00 O ATOM 0 H ASP A 21 13.565 -13.290 -7.383 1.00 25.00 H new ATOM 0 HA ASP A 21 14.591 -15.199 -7.811 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.328 -14.584 -5.404 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.560 -15.988 -6.426 1.00 25.00 H new ATOM 302 N VAL A 22 12.908 -15.622 -5.278 1.00 25.00 N ATOM 303 CA VAL A 22 12.008 -16.473 -4.498 1.00 25.00 C ATOM 304 C VAL A 22 10.733 -16.754 -5.301 1.00 25.00 C ATOM 305 O VAL A 22 10.650 -16.408 -6.485 1.00 25.00 O ATOM 306 CB VAL A 22 11.653 -15.834 -3.106 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.860 -15.870 -2.177 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.120 -14.391 -3.228 1.00 25.00 C ATOM 0 H VAL A 22 12.633 -14.640 -5.268 1.00 25.00 H new ATOM 0 HA VAL A 22 12.525 -17.412 -4.298 1.00 25.00 H new ATOM 0 HB VAL A 22 10.850 -16.437 -2.683 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.595 -15.423 -1.219 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.170 -16.904 -2.022 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.680 -15.309 -2.624 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.892 -14.002 -2.236 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.876 -13.763 -3.699 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.215 -14.388 -3.836 1.00 25.00 H new ATOM 318 N SER A 23 9.747 -17.386 -4.655 1.00 25.00 N ATOM 319 CA SER A 23 8.423 -17.553 -5.250 1.00 25.00 C ATOM 320 C SER A 23 7.757 -16.166 -5.201 1.00 25.00 C ATOM 321 O SER A 23 8.227 -15.333 -4.422 1.00 25.00 O ATOM 322 CB SER A 23 7.647 -18.598 -4.446 1.00 25.00 C ATOM 323 OG SER A 23 7.417 -18.167 -3.113 1.00 25.00 O ATOM 0 H SER A 23 9.843 -17.788 -3.723 1.00 25.00 H new ATOM 0 HA SER A 23 8.459 -17.908 -6.280 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.693 -18.798 -4.934 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.203 -19.536 -4.435 1.00 25.00 H new ATOM 0 HG SER A 23 6.918 -18.857 -2.628 1.00 25.00 H new ATOM 329 N PRO A 24 6.648 -15.862 -5.952 1.00 25.00 N ATOM 330 CA PRO A 24 6.495 -14.522 -6.565 1.00 25.00 C ATOM 331 C PRO A 24 6.920 -13.379 -5.642 1.00 25.00 C ATOM 332 O PRO A 24 6.501 -13.298 -4.482 1.00 25.00 O ATOM 333 CB PRO A 24 4.992 -14.451 -6.833 1.00 25.00 C ATOM 334 CG PRO A 24 4.587 -15.861 -7.081 1.00 25.00 C ATOM 335 CD PRO A 24 5.462 -16.716 -6.208 1.00 25.00 C ATOM 0 HA PRO A 24 7.126 -14.406 -7.447 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.457 -14.029 -5.982 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.772 -13.818 -7.693 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.534 -16.010 -6.840 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.714 -16.122 -8.132 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.958 -16.989 -5.281 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.738 -17.645 -6.706 1.00 25.00 H new ATOM 343 N ALA A 25 7.777 -12.501 -6.206 1.00 25.00 N ATOM 344 CA ALA A 25 8.546 -11.509 -5.445 1.00 25.00 C ATOM 345 C ALA A 25 7.694 -10.688 -4.508 1.00 25.00 C ATOM 346 O ALA A 25 6.564 -10.311 -4.828 1.00 25.00 O ATOM 347 CB ALA A 25 9.339 -10.611 -6.381 1.00 25.00 C ATOM 0 H ALA A 25 7.952 -12.465 -7.210 1.00 25.00 H new ATOM 0 HA ALA A 25 9.239 -12.070 -4.818 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.902 -9.883 -5.797 1.00 25.00 H new ATOM 0 HB2 ALA A 25 10.029 -11.217 -6.968 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.655 -10.089 -7.050 1.00 25.00 H new ATOM 353 N GLU A 26 8.272 -10.435 -3.342 1.00 25.00 N ATOM 354 CA GLU A 26 7.538 -9.919 -2.208 1.00 25.00 C ATOM 355 C GLU A 26 8.173 -8.631 -1.670 1.00 25.00 C ATOM 356 O GLU A 26 9.203 -8.179 -2.163 1.00 25.00 O ATOM 357 CB GLU A 26 7.443 -10.983 -1.090 1.00 25.00 C ATOM 358 CG GLU A 26 7.453 -12.447 -1.551 1.00 25.00 C ATOM 359 CD GLU A 26 7.533 -13.424 -0.394 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.427 -13.261 0.462 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.697 -14.351 -0.341 1.00 25.00 O ATOM 0 H GLU A 26 9.265 -10.584 -3.161 1.00 25.00 H new ATOM 0 HA GLU A 26 6.530 -9.679 -2.547 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.275 -10.834 -0.402 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.527 -10.807 -0.525 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.551 -12.648 -2.129 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.301 -12.608 -2.217 1.00 25.00 H new ATOM 368 N LEU A 27 7.474 -8.002 -0.727 1.00 25.00 N ATOM 369 CA LEU A 27 7.964 -6.835 0.000 1.00 25.00 C ATOM 370 C LEU A 27 7.791 -7.096 1.498 1.00 25.00 C ATOM 371 O LEU A 27 6.671 -7.106 2.014 1.00 25.00 O ATOM 372 CB LEU A 27 7.208 -5.575 -0.502 1.00 25.00 C ATOM 373 CG LEU A 27 7.479 -4.186 0.144 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.829 -3.600 -0.237 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.365 -3.189 -0.149 1.00 25.00 C ATOM 0 H LEU A 27 6.539 -8.294 -0.443 1.00 25.00 H new ATOM 0 HA LEU A 27 9.024 -6.655 -0.178 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.412 -5.480 -1.568 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.142 -5.776 -0.398 1.00 25.00 H new ATOM 0 HG LEU A 27 7.501 -4.370 1.218 1.00 25.00 H new ATOM 0 HD11 LEU A 27 8.955 -2.631 0.247 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.622 -4.273 0.087 1.00 25.00 H new ATOM 0 HD13 LEU A 27 8.879 -3.474 -1.319 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.598 -2.234 0.322 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.275 -3.050 -1.226 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.423 -3.569 0.247 1.00 25.00 H new ATOM 387 N THR A 28 8.915 -7.320 2.181 1.00 25.00 N ATOM 388 CA THR A 28 8.901 -7.741 3.577 1.00 25.00 C ATOM 389 C THR A 28 9.338 -6.605 4.503 1.00 25.00 C ATOM 390 O THR A 28 10.501 -6.192 4.493 1.00 25.00 O ATOM 391 CB THR A 28 9.814 -8.982 3.794 1.00 25.00 C ATOM 392 OG1 THR A 28 9.318 -10.090 3.032 1.00 25.00 O ATOM 393 CG2 THR A 28 9.883 -9.396 5.266 1.00 25.00 C ATOM 0 H THR A 28 9.849 -7.215 1.785 1.00 25.00 H new ATOM 0 HA THR A 28 7.875 -8.013 3.824 1.00 25.00 H new ATOM 0 HB THR A 28 10.816 -8.705 3.466 1.00 25.00 H new ATOM 0 HG1 THR A 28 10.059 -10.514 2.551 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.531 -10.266 5.369 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.284 -8.573 5.857 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.883 -9.645 5.621 1.00 25.00 H new ATOM 401 N TRP A 29 8.384 -6.105 5.297 1.00 25.00 N ATOM 402 CA TRP A 29 8.688 -5.176 6.381 1.00 25.00 C ATOM 403 C TRP A 29 9.047 -5.957 7.641 1.00 25.00 C ATOM 404 O TRP A 29 8.414 -6.966 7.965 1.00 25.00 O ATOM 405 CB TRP A 29 7.505 -4.218 6.665 1.00 25.00 C ATOM 406 CG TRP A 29 7.713 -3.329 7.879 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.325 -2.109 7.905 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.334 -3.612 9.241 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.361 -1.621 9.191 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.757 -2.523 10.027 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.680 -4.679 9.874 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.551 -2.475 11.409 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.475 -4.622 11.241 1.00 25.00 C ATOM 414 CH2 TRP A 29 6.912 -3.527 11.992 1.00 25.00 C ATOM 0 H TRP A 29 7.394 -6.332 5.205 1.00 25.00 H new ATOM 0 HA TRP A 29 9.537 -4.565 6.074 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.341 -3.589 5.790 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.599 -4.807 6.809 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.724 -1.600 7.040 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.771 -0.732 9.476 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.342 -5.531 9.304 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.887 -1.632 11.995 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 5.969 -5.437 11.736 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.739 -3.515 13.058 1.00 25.00 H new ATOM 425 N ARG A 30 10.075 -5.479 8.329 1.00 25.00 N ATOM 426 CA ARG A 30 10.431 -5.991 9.643 1.00 25.00 C ATOM 427 C ARG A 30 10.554 -4.843 10.629 1.00 25.00 C ATOM 428 O ARG A 30 10.807 -3.703 10.237 1.00 25.00 O ATOM 429 CB ARG A 30 11.748 -6.768 9.603 1.00 25.00 C ATOM 430 CG ARG A 30 11.700 -8.058 8.798 1.00 25.00 C ATOM 431 CD ARG A 30 13.019 -8.811 8.867 1.00 25.00 C ATOM 432 NE ARG A 30 13.221 -9.522 10.137 1.00 25.00 N ATOM 433 CZ ARG A 30 14.424 -9.856 10.639 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.551 -9.518 10.012 1.00 25.00 N ATOM 435 NH2 ARG A 30 14.500 -10.533 11.776 1.00 25.00 N ATOM 0 H ARG A 30 10.681 -4.730 7.994 1.00 25.00 H new ATOM 0 HA ARG A 30 9.641 -6.671 9.961 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.522 -6.124 9.186 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.046 -7.004 10.625 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.898 -8.693 9.175 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.465 -7.830 7.758 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.062 -9.528 8.047 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.838 -8.108 8.719 1.00 25.00 H new ATOM 0 HE ARG A 30 12.393 -9.780 10.674 1.00 25.00 H new ATOM 0 HH11 ARG A 30 15.511 -8.997 9.136 1.00 25.00 H new ATOM 0 HH12 ARG A 30 16.453 -9.780 10.408 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.648 -10.800 12.269 1.00 25.00 H new ATOM 0 HH22 ARG A 30 15.411 -10.787 12.158 1.00 25.00 H new ATOM 449 N SER A 31 10.360 -5.153 11.913 1.00 25.00 N ATOM 450 CA SER A 31 10.629 -4.205 12.996 1.00 25.00 C ATOM 451 C SER A 31 12.147 -4.042 13.164 1.00 25.00 C ATOM 452 O SER A 31 12.920 -4.889 12.708 1.00 25.00 O ATOM 453 CB SER A 31 9.950 -4.701 14.284 1.00 25.00 C ATOM 454 OG SER A 31 10.450 -5.959 14.707 1.00 25.00 O ATOM 0 H SER A 31 10.015 -6.059 12.229 1.00 25.00 H new ATOM 0 HA SER A 31 10.216 -3.224 12.761 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.100 -3.968 15.077 1.00 25.00 H new ATOM 0 HB3 SER A 31 8.875 -4.777 14.119 1.00 25.00 H new ATOM 0 HG SER A 31 10.746 -5.897 15.639 1.00 25.00 H new ATOM 460 N THR A 32 12.559 -2.928 13.800 1.00 25.00 N ATOM 461 CA THR A 32 13.984 -2.534 13.902 1.00 25.00 C ATOM 462 C THR A 32 14.890 -3.634 14.483 1.00 25.00 C ATOM 463 O THR A 32 16.108 -3.595 14.290 1.00 25.00 O ATOM 464 CB THR A 32 14.167 -1.240 14.731 1.00 25.00 C ATOM 465 OG1 THR A 32 13.392 -1.303 15.935 1.00 25.00 O ATOM 466 CG2 THR A 32 13.771 -0.004 13.925 1.00 25.00 C ATOM 0 H THR A 32 11.920 -2.277 14.256 1.00 25.00 H new ATOM 0 HA THR A 32 14.295 -2.358 12.872 1.00 25.00 H new ATOM 0 HB THR A 32 15.223 -1.158 14.988 1.00 25.00 H new ATOM 0 HG1 THR A 32 13.519 -0.479 16.449 1.00 25.00 H new ATOM 0 HG21 THR A 32 13.911 0.888 14.535 1.00 25.00 H new ATOM 0 HG22 THR A 32 14.395 0.064 13.034 1.00 25.00 H new ATOM 0 HG23 THR A 32 12.724 -0.082 13.630 1.00 25.00 H new ATOM 474 N ASP A 33 14.287 -4.593 15.205 1.00 25.00 N ATOM 475 CA ASP A 33 14.998 -5.791 15.667 1.00 25.00 C ATOM 476 C ASP A 33 14.661 -6.994 14.764 1.00 25.00 C ATOM 477 O ASP A 33 15.490 -7.886 14.564 1.00 25.00 O ATOM 478 CB ASP A 33 14.639 -6.089 17.132 1.00 25.00 C ATOM 479 CG ASP A 33 14.949 -4.935 18.073 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.100 -4.449 18.060 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.040 -4.520 18.822 1.00 25.00 O ATOM 0 H ASP A 33 13.306 -4.559 15.481 1.00 25.00 H new ATOM 0 HA ASP A 33 16.071 -5.610 15.607 1.00 25.00 H new ATOM 0 HB2 ASP A 33 13.577 -6.327 17.198 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.185 -6.973 17.460 1.00 25.00 H new ATOM 486 N GLY A 34 13.429 -6.989 14.233 1.00 25.00 N ATOM 487 CA GLY A 34 12.957 -8.029 13.319 1.00 25.00 C ATOM 488 C GLY A 34 12.121 -9.098 14.004 1.00 25.00 C ATOM 489 O GLY A 34 11.932 -10.186 13.453 1.00 25.00 O ATOM 0 H GLY A 34 12.737 -6.265 14.427 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.366 -7.567 12.528 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.816 -8.500 12.841 1.00 25.00 H new ATOM 493 N ASP A 35 11.620 -8.784 15.212 1.00 25.00 N ATOM 494 CA ASP A 35 10.682 -9.648 15.930 1.00 25.00 C ATOM 495 C ASP A 35 9.286 -9.574 15.297 1.00 25.00 C ATOM 496 O ASP A 35 8.523 -10.544 15.338 1.00 25.00 O ATOM 497 CB ASP A 35 10.614 -9.233 17.401 1.00 25.00 C ATOM 498 CG ASP A 35 10.130 -7.806 17.592 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.771 -6.885 17.046 1.00 25.00 O ATOM 500 OD2 ASP A 35 9.110 -7.612 18.287 1.00 25.00 O ATOM 0 H ASP A 35 11.856 -7.927 15.711 1.00 25.00 H new ATOM 0 HA ASP A 35 11.036 -10.677 15.864 1.00 25.00 H new ATOM 0 HB2 ASP A 35 9.948 -9.911 17.934 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.602 -9.339 17.849 1.00 25.00 H new ATOM 505 N LYS A 36 8.975 -8.406 14.717 1.00 25.00 N ATOM 506 CA LYS A 36 7.743 -8.205 13.957 1.00 25.00 C ATOM 507 C LYS A 36 8.064 -8.217 12.462 1.00 25.00 C ATOM 508 O LYS A 36 9.066 -7.631 12.039 1.00 25.00 O ATOM 509 CB LYS A 36 7.094 -6.871 14.333 1.00 25.00 C ATOM 510 CG LYS A 36 6.427 -6.873 15.686 1.00 25.00 C ATOM 511 CD LYS A 36 5.829 -5.516 15.976 1.00 25.00 C ATOM 512 CE LYS A 36 6.060 -5.101 17.417 1.00 25.00 C ATOM 513 NZ LYS A 36 7.506 -4.908 17.718 1.00 25.00 N ATOM 0 H LYS A 36 9.571 -7.580 14.764 1.00 25.00 H new ATOM 0 HA LYS A 36 7.046 -9.010 14.192 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.855 -6.091 14.316 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.355 -6.612 13.575 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.648 -7.635 15.714 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.153 -7.131 16.457 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.267 -4.774 15.308 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.759 -5.538 15.770 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.521 -4.175 17.618 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.649 -5.860 18.083 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 7.609 -4.262 18.527 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.938 -5.825 17.950 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 7.982 -4.501 16.888 1.00 25.00 H new ATOM 527 N VAL A 37 7.220 -8.885 11.668 1.00 25.00 N ATOM 528 CA VAL A 37 7.464 -9.008 10.227 1.00 25.00 C ATOM 529 C VAL A 37 6.142 -9.095 9.425 1.00 25.00 C ATOM 530 O VAL A 37 5.211 -9.806 9.814 1.00 25.00 O ATOM 531 CB VAL A 37 8.422 -10.220 9.926 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.873 -11.557 10.433 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.771 -10.300 8.442 1.00 25.00 C ATOM 0 H VAL A 37 6.370 -9.345 11.995 1.00 25.00 H new ATOM 0 HA VAL A 37 7.967 -8.100 9.893 1.00 25.00 H new ATOM 0 HB VAL A 37 9.338 -10.027 10.484 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.578 -12.353 10.196 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.732 -11.507 11.513 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.917 -11.764 9.952 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.434 -11.148 8.269 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.858 -10.428 7.860 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.270 -9.381 8.136 1.00 25.00 H new ATOM 543 N HIS A 38 6.089 -8.347 8.310 1.00 25.00 N ATOM 544 CA HIS A 38 4.941 -8.354 7.391 1.00 25.00 C ATOM 545 C HIS A 38 5.439 -8.547 5.950 1.00 25.00 C ATOM 546 O HIS A 38 6.516 -8.060 5.597 1.00 25.00 O ATOM 547 CB HIS A 38 4.149 -7.038 7.524 1.00 25.00 C ATOM 548 CG HIS A 38 3.358 -6.911 8.797 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.717 -6.466 10.026 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.029 -7.273 8.897 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 2.612 -6.566 10.834 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.607 -7.053 10.129 1.00 25.00 N flip ATOM 0 H HIS A 38 6.841 -7.721 8.022 1.00 25.00 H new ATOM 0 HA HIS A 38 4.276 -9.179 7.646 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.845 -6.202 7.459 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.467 -6.952 6.678 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.637 -6.121 10.299 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.429 -7.673 8.093 1.00 25.00 H new ATOM 0 HE1 HIS A 38 2.571 -6.291 11.878 1.00 25.00 H new ATOM 561 N THR A 39 4.654 -9.257 5.124 1.00 25.00 N ATOM 562 CA THR A 39 5.076 -9.584 3.754 1.00 25.00 C ATOM 563 C THR A 39 3.999 -9.216 2.715 1.00 25.00 C ATOM 564 O THR A 39 2.830 -9.588 2.852 1.00 25.00 O ATOM 565 CB THR A 39 5.451 -11.090 3.637 1.00 25.00 C ATOM 566 OG1 THR A 39 6.551 -11.384 4.508 1.00 25.00 O ATOM 567 CG2 THR A 39 5.844 -11.477 2.211 1.00 25.00 C ATOM 0 H THR A 39 3.732 -9.612 5.378 1.00 25.00 H new ATOM 0 HA THR A 39 5.959 -8.983 3.538 1.00 25.00 H new ATOM 0 HB THR A 39 4.568 -11.664 3.919 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.783 -12.333 4.433 1.00 25.00 H new ATOM 0 HG21 THR A 39 6.097 -12.537 2.178 1.00 25.00 H new ATOM 0 HG22 THR A 39 5.009 -11.283 1.538 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.706 -10.888 1.899 1.00 25.00 H new ATOM 575 N VAL A 40 4.430 -8.474 1.681 1.00 25.00 N ATOM 576 CA VAL A 40 3.583 -8.100 0.543 1.00 25.00 C ATOM 577 C VAL A 40 4.071 -8.811 -0.736 1.00 25.00 C ATOM 578 O VAL A 40 5.106 -8.449 -1.289 1.00 25.00 O ATOM 579 CB VAL A 40 3.617 -6.541 0.356 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.786 -6.030 -0.830 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.169 -5.836 1.619 1.00 25.00 C ATOM 0 H VAL A 40 5.383 -8.116 1.614 1.00 25.00 H new ATOM 0 HA VAL A 40 2.556 -8.410 0.737 1.00 25.00 H new ATOM 0 HB VAL A 40 4.658 -6.305 0.137 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.864 -4.944 -0.888 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.161 -6.470 -1.754 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.742 -6.312 -0.691 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.201 -4.757 1.465 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.150 -6.138 1.862 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.833 -6.105 2.441 1.00 25.00 H new ATOM 591 N VAL A 41 3.309 -9.800 -1.216 1.00 25.00 N ATOM 592 CA VAL A 41 3.615 -10.464 -2.488 1.00 25.00 C ATOM 593 C VAL A 41 3.071 -9.592 -3.636 1.00 25.00 C ATOM 594 O VAL A 41 1.882 -9.273 -3.664 1.00 25.00 O ATOM 595 CB VAL A 41 3.013 -11.907 -2.544 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.307 -12.600 -3.875 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.551 -12.752 -1.394 1.00 25.00 C ATOM 0 H VAL A 41 2.478 -10.158 -0.744 1.00 25.00 H new ATOM 0 HA VAL A 41 4.695 -10.574 -2.586 1.00 25.00 H new ATOM 0 HB VAL A 41 1.932 -11.808 -2.450 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.871 -13.599 -3.869 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.875 -12.020 -4.690 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.385 -12.676 -4.015 1.00 25.00 H new ATOM 0 HG21 VAL A 41 3.123 -13.753 -1.447 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.637 -12.817 -1.467 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.279 -12.290 -0.445 1.00 25.00 H new ATOM 607 N LEU A 42 3.953 -9.199 -4.563 1.00 25.00 N ATOM 608 CA LEU A 42 3.592 -8.221 -5.610 1.00 25.00 C ATOM 609 C LEU A 42 2.710 -8.799 -6.727 1.00 25.00 C ATOM 610 O LEU A 42 2.025 -8.040 -7.420 1.00 25.00 O ATOM 611 CB LEU A 42 4.833 -7.577 -6.259 1.00 25.00 C ATOM 612 CG LEU A 42 5.592 -6.487 -5.459 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.656 -5.383 -4.994 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.337 -7.071 -4.271 1.00 25.00 C ATOM 0 H LEU A 42 4.914 -9.536 -4.614 1.00 25.00 H new ATOM 0 HA LEU A 42 3.014 -7.467 -5.076 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.540 -8.374 -6.490 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.524 -7.140 -7.208 1.00 25.00 H new ATOM 0 HG LEU A 42 6.325 -6.056 -6.141 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.222 -4.637 -4.437 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.190 -4.913 -5.860 1.00 25.00 H new ATOM 0 HD13 LEU A 42 3.884 -5.807 -4.352 1.00 25.00 H new ATOM 0 HD21 LEU A 42 6.855 -6.273 -3.738 1.00 25.00 H new ATOM 0 HD22 LEU A 42 5.628 -7.555 -3.599 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.063 -7.804 -4.622 1.00 25.00 H new ATOM 626 N SER A 43 2.729 -10.131 -6.909 1.00 25.00 N ATOM 627 CA SER A 43 1.917 -10.789 -7.954 1.00 25.00 C ATOM 628 C SER A 43 0.412 -10.692 -7.638 1.00 25.00 C ATOM 629 O SER A 43 -0.435 -11.020 -8.477 1.00 25.00 O ATOM 630 CB SER A 43 2.354 -12.252 -8.119 1.00 25.00 C ATOM 631 OG SER A 43 2.060 -13.021 -6.963 1.00 25.00 O ATOM 0 H SER A 43 3.293 -10.772 -6.351 1.00 25.00 H new ATOM 0 HA SER A 43 2.084 -10.268 -8.897 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.851 -12.687 -8.983 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.425 -12.292 -8.320 1.00 25.00 H new ATOM 0 HG SER A 43 2.350 -13.947 -7.103 1.00 25.00 H new ATOM 637 N THR A 44 0.107 -10.232 -6.417 1.00 25.00 N ATOM 638 CA THR A 44 -1.260 -9.937 -5.991 1.00 25.00 C ATOM 639 C THR A 44 -1.428 -8.422 -5.708 1.00 25.00 C ATOM 640 O THR A 44 -2.414 -7.991 -5.100 1.00 25.00 O ATOM 641 CB THR A 44 -1.674 -10.807 -4.763 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.828 -10.522 -3.646 1.00 25.00 O ATOM 643 CG2 THR A 44 -1.637 -12.310 -5.054 1.00 25.00 C ATOM 0 H THR A 44 0.807 -10.055 -5.697 1.00 25.00 H new ATOM 0 HA THR A 44 -1.935 -10.199 -6.806 1.00 25.00 H new ATOM 0 HB THR A 44 -2.707 -10.544 -4.534 1.00 25.00 H new ATOM 0 HG1 THR A 44 -0.073 -9.971 -3.940 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.935 -12.861 -4.162 1.00 25.00 H new ATOM 0 HG22 THR A 44 -2.324 -12.540 -5.869 1.00 25.00 H new ATOM 0 HG23 THR A 44 -0.626 -12.601 -5.339 1.00 25.00 H new ATOM 651 N ILE A 45 -0.442 -7.634 -6.169 1.00 25.00 N ATOM 652 CA ILE A 45 -0.463 -6.166 -6.076 1.00 25.00 C ATOM 653 C ILE A 45 -0.617 -5.573 -7.486 1.00 25.00 C ATOM 654 O ILE A 45 -0.046 -6.094 -8.447 1.00 25.00 O ATOM 655 CB ILE A 45 0.844 -5.627 -5.388 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.024 -6.219 -3.956 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.900 -4.089 -5.350 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.037 -5.834 -2.917 1.00 25.00 C ATOM 0 H ILE A 45 0.397 -8.001 -6.619 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.309 -5.860 -5.460 1.00 25.00 H new ATOM 0 HB ILE A 45 1.676 -5.966 -6.006 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.044 -7.306 -4.036 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.999 -5.909 -3.579 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.823 -3.770 -4.865 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.872 -3.699 -6.367 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.046 -3.708 -4.791 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.199 -6.307 -1.964 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.048 -4.751 -2.792 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.017 -6.170 -3.256 1.00 25.00 H new ATOM 670 N ASP A 46 -1.390 -4.483 -7.590 1.00 25.00 N ATOM 671 CA ASP A 46 -1.682 -3.853 -8.882 1.00 25.00 C ATOM 672 C ASP A 46 -0.972 -2.494 -9.025 1.00 25.00 C ATOM 673 O ASP A 46 -0.268 -2.271 -10.014 1.00 25.00 O ATOM 674 CB ASP A 46 -3.209 -3.708 -9.062 1.00 25.00 C ATOM 675 CG ASP A 46 -3.612 -3.128 -10.411 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.315 -3.766 -11.443 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.221 -2.039 -10.431 1.00 25.00 O ATOM 0 H ASP A 46 -1.824 -4.020 -6.792 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.295 -4.497 -9.672 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.675 -4.686 -8.943 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.601 -3.070 -8.270 1.00 25.00 H new ATOM 682 N LYS A 47 -1.158 -1.595 -8.043 1.00 25.00 N ATOM 683 CA LYS A 47 -0.614 -0.259 -8.099 1.00 25.00 C ATOM 684 C LYS A 47 0.103 0.097 -6.783 1.00 25.00 C ATOM 685 O LYS A 47 0.077 -0.676 -5.822 1.00 25.00 O ATOM 686 CB LYS A 47 -1.766 0.705 -8.349 1.00 25.00 C ATOM 687 CG LYS A 47 -2.394 0.565 -9.709 1.00 25.00 C ATOM 688 CD LYS A 47 -3.512 1.573 -9.959 1.00 25.00 C ATOM 689 CE LYS A 47 -4.091 1.448 -11.357 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.095 0.357 -11.470 1.00 25.00 N ATOM 0 H LYS A 47 -1.692 -1.790 -7.196 1.00 25.00 H new ATOM 0 HA LYS A 47 0.121 -0.192 -8.901 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.531 0.547 -7.589 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.404 1.726 -8.230 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.625 0.688 -10.472 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.792 -0.444 -9.817 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.304 1.425 -9.225 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.128 2.583 -9.815 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.555 2.393 -11.639 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -3.283 1.266 -12.065 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.444 0.306 -12.448 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -4.654 -0.549 -11.212 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -5.890 0.549 -10.828 1.00 25.00 H new ATOM 704 N LEU A 48 0.750 1.281 -6.765 1.00 25.00 N ATOM 705 CA LEU A 48 1.548 1.744 -5.611 1.00 25.00 C ATOM 706 C LEU A 48 1.532 3.283 -5.575 1.00 25.00 C ATOM 707 O LEU A 48 1.746 3.922 -6.611 1.00 25.00 O ATOM 708 CB LEU A 48 3.020 1.247 -5.694 1.00 25.00 C ATOM 709 CG LEU A 48 3.442 0.613 -7.019 1.00 25.00 C ATOM 710 CD1 LEU A 48 3.538 1.654 -8.124 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.755 -0.095 -6.862 1.00 25.00 C ATOM 0 H LEU A 48 0.734 1.939 -7.544 1.00 25.00 H new ATOM 0 HA LEU A 48 1.105 1.333 -4.703 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.679 2.091 -5.492 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.182 0.519 -4.899 1.00 25.00 H new ATOM 0 HG LEU A 48 2.678 -0.111 -7.302 1.00 25.00 H new ATOM 0 HD11 LEU A 48 3.840 1.171 -9.053 1.00 25.00 H new ATOM 0 HD12 LEU A 48 2.567 2.130 -8.261 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.276 2.408 -7.850 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.043 -0.542 -7.813 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.518 0.618 -6.550 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.659 -0.877 -6.108 1.00 25.00 H new ATOM 723 N GLN A 49 1.279 3.878 -4.397 1.00 25.00 N ATOM 724 CA GLN A 49 1.169 5.347 -4.278 1.00 25.00 C ATOM 725 C GLN A 49 2.046 5.900 -3.137 1.00 25.00 C ATOM 726 O GLN A 49 1.792 5.629 -1.964 1.00 25.00 O ATOM 727 CB GLN A 49 -0.311 5.752 -4.073 1.00 25.00 C ATOM 728 CG GLN A 49 -1.183 5.640 -5.330 1.00 25.00 C ATOM 729 CD GLN A 49 -2.646 6.006 -5.091 1.00 25.00 C ATOM 730 OE1 GLN A 49 -3.171 5.866 -3.984 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.317 6.466 -6.140 1.00 25.00 N ATOM 0 H GLN A 49 1.148 3.373 -3.521 1.00 25.00 H new ATOM 0 HA GLN A 49 1.536 5.785 -5.206 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.741 5.125 -3.292 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.346 6.780 -3.713 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.776 6.290 -6.104 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.129 4.620 -5.710 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -2.848 6.568 -7.040 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.301 6.717 -6.046 1.00 25.00 H new ATOM 740 N ALA A 50 3.070 6.701 -3.497 1.00 25.00 N ATOM 741 CA ALA A 50 4.039 7.241 -2.520 1.00 25.00 C ATOM 742 C ALA A 50 3.990 8.773 -2.416 1.00 25.00 C ATOM 743 O ALA A 50 3.596 9.458 -3.364 1.00 25.00 O ATOM 744 CB ALA A 50 5.442 6.790 -2.895 1.00 25.00 C ATOM 0 H ALA A 50 3.248 6.989 -4.459 1.00 25.00 H new ATOM 0 HA ALA A 50 3.765 6.850 -1.540 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.157 7.188 -2.175 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.488 5.701 -2.888 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.688 7.157 -3.891 1.00 25.00 H new ATOM 750 N THR A 51 4.403 9.296 -1.236 1.00 25.00 N ATOM 751 CA THR A 51 4.390 10.746 -0.944 1.00 25.00 C ATOM 752 C THR A 51 5.494 11.501 -1.724 1.00 25.00 C ATOM 753 O THR A 51 6.674 11.159 -1.594 1.00 25.00 O ATOM 754 CB THR A 51 4.576 11.045 0.573 1.00 25.00 C ATOM 755 OG1 THR A 51 5.762 10.405 1.067 1.00 25.00 O ATOM 756 CG2 THR A 51 3.377 10.574 1.394 1.00 25.00 C ATOM 0 H THR A 51 4.752 8.726 -0.465 1.00 25.00 H new ATOM 0 HA THR A 51 3.408 11.097 -1.262 1.00 25.00 H new ATOM 0 HB THR A 51 4.665 12.126 0.679 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.458 10.429 0.378 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.545 10.801 2.447 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.478 11.086 1.052 1.00 25.00 H new ATOM 0 HG23 THR A 51 3.251 9.498 1.270 1.00 25.00 H new ATOM 764 N PRO A 52 5.130 12.536 -2.554 1.00 25.00 N ATOM 765 CA PRO A 52 6.120 13.409 -3.237 1.00 25.00 C ATOM 766 C PRO A 52 7.043 14.158 -2.261 1.00 25.00 C ATOM 767 O PRO A 52 6.773 14.219 -1.059 1.00 25.00 O ATOM 768 CB PRO A 52 5.263 14.433 -3.994 1.00 25.00 C ATOM 769 CG PRO A 52 3.909 13.831 -4.135 1.00 25.00 C ATOM 770 CD PRO A 52 3.740 12.907 -2.914 1.00 25.00 C ATOM 0 HA PRO A 52 6.777 12.812 -3.870 1.00 25.00 H new ATOM 0 HB2 PRO A 52 5.213 15.376 -3.449 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.694 14.652 -4.971 1.00 25.00 H new ATOM 0 HG2 PRO A 52 3.137 14.601 -4.154 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.824 13.271 -5.066 1.00 25.00 H new ATOM 0 HD2 PRO A 52 3.237 13.418 -2.093 1.00 25.00 H new ATOM 0 HD3 PRO A 52 3.142 12.029 -3.157 1.00 25.00 H new ATOM 778 N ALA A 53 8.131 14.733 -2.808 1.00 25.00 N ATOM 779 CA ALA A 53 9.104 15.512 -2.023 1.00 25.00 C ATOM 780 C ALA A 53 8.565 16.899 -1.642 1.00 25.00 C ATOM 781 O ALA A 53 9.175 17.606 -0.832 1.00 25.00 O ATOM 782 CB ALA A 53 10.408 15.644 -2.798 1.00 25.00 C ATOM 0 H ALA A 53 8.358 14.671 -3.800 1.00 25.00 H new ATOM 0 HA ALA A 53 9.286 14.972 -1.093 1.00 25.00 H new ATOM 0 HB1 ALA A 53 11.123 16.221 -2.212 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.816 14.653 -2.995 1.00 25.00 H new ATOM 0 HB3 ALA A 53 10.219 16.153 -3.743 1.00 25.00 H new ATOM 788 N SER A 54 7.425 17.274 -2.236 1.00 25.00 N ATOM 789 CA SER A 54 6.732 18.516 -1.893 1.00 25.00 C ATOM 790 C SER A 54 5.595 18.249 -0.893 1.00 25.00 C ATOM 791 O SER A 54 5.000 19.187 -0.351 1.00 25.00 O ATOM 792 CB SER A 54 6.187 19.176 -3.159 1.00 25.00 C ATOM 793 OG SER A 54 5.208 18.364 -3.791 1.00 25.00 O ATOM 0 H SER A 54 6.962 16.727 -2.962 1.00 25.00 H new ATOM 0 HA SER A 54 7.445 19.192 -1.421 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.751 20.143 -2.907 1.00 25.00 H new ATOM 0 HB3 SER A 54 7.006 19.366 -3.853 1.00 25.00 H new ATOM 0 HG SER A 54 4.879 18.815 -4.596 1.00 25.00 H new ATOM 799 N SER A 55 5.313 16.956 -0.651 1.00 25.00 N ATOM 800 CA SER A 55 4.265 16.530 0.279 1.00 25.00 C ATOM 801 C SER A 55 4.696 16.632 1.741 1.00 25.00 C ATOM 802 O SER A 55 5.847 16.359 2.094 1.00 25.00 O ATOM 803 CB SER A 55 3.842 15.102 -0.040 1.00 25.00 C ATOM 804 OG SER A 55 2.965 14.613 0.956 1.00 25.00 O ATOM 0 H SER A 55 5.807 16.183 -1.096 1.00 25.00 H new ATOM 0 HA SER A 55 3.422 17.209 0.147 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.351 15.070 -1.013 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.722 14.461 -0.105 1.00 25.00 H new ATOM 0 HG SER A 55 2.700 13.695 0.737 1.00 25.00 H new ATOM 810 N GLU A 56 3.729 17.043 2.578 1.00 25.00 N ATOM 811 CA GLU A 56 3.871 17.094 4.044 1.00 25.00 C ATOM 812 C GLU A 56 4.156 15.723 4.645 1.00 25.00 C ATOM 813 O GLU A 56 4.716 15.604 5.738 1.00 25.00 O ATOM 814 CB GLU A 56 2.567 17.604 4.651 1.00 25.00 C ATOM 815 CG GLU A 56 2.094 18.918 4.071 1.00 25.00 C ATOM 816 CD GLU A 56 1.584 18.786 2.650 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.640 17.997 2.428 1.00 25.00 O ATOM 818 OE2 GLU A 56 2.128 19.470 1.758 1.00 25.00 O ATOM 0 H GLU A 56 2.814 17.354 2.252 1.00 25.00 H new ATOM 0 HA GLU A 56 4.710 17.753 4.267 1.00 25.00 H new ATOM 0 HB2 GLU A 56 1.791 16.853 4.504 1.00 25.00 H new ATOM 0 HB3 GLU A 56 2.699 17.719 5.727 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.301 19.323 4.700 1.00 25.00 H new ATOM 0 HG3 GLU A 56 2.915 19.635 4.092 1.00 25.00 H new ATOM 825 N LYS A 57 3.752 14.705 3.899 1.00 25.00 N ATOM 826 CA LYS A 57 3.725 13.340 4.363 1.00 25.00 C ATOM 827 C LYS A 57 4.970 12.550 3.976 1.00 25.00 C ATOM 828 O LYS A 57 5.645 12.866 2.990 1.00 25.00 O ATOM 829 CB LYS A 57 2.503 12.660 3.768 1.00 25.00 C ATOM 830 CG LYS A 57 1.175 13.310 4.097 1.00 25.00 C ATOM 831 CD LYS A 57 0.874 13.330 5.583 1.00 25.00 C ATOM 832 CE LYS A 57 -0.535 13.830 5.811 1.00 25.00 C ATOM 833 NZ LYS A 57 -0.796 14.154 7.243 1.00 25.00 N ATOM 0 H LYS A 57 3.429 14.815 2.938 1.00 25.00 H new ATOM 0 HA LYS A 57 3.690 13.361 5.452 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.616 12.631 2.684 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.478 11.627 4.114 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.174 14.332 3.718 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.378 12.777 3.578 1.00 25.00 H new ATOM 0 HD2 LYS A 57 0.987 12.329 6.000 1.00 25.00 H new ATOM 0 HD3 LYS A 57 1.586 13.973 6.100 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -0.706 14.718 5.203 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -1.245 13.074 5.477 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -1.774 14.492 7.350 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.660 13.301 7.822 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.137 14.895 7.557 1.00 25.00 H new ATOM 847 N MET A 58 5.258 11.521 4.777 1.00 25.00 N ATOM 848 CA MET A 58 6.260 10.517 4.435 1.00 25.00 C ATOM 849 C MET A 58 5.620 9.133 4.524 1.00 25.00 C ATOM 850 O MET A 58 5.511 8.553 5.609 1.00 25.00 O ATOM 851 CB MET A 58 7.464 10.619 5.383 1.00 25.00 C ATOM 852 CG MET A 58 8.263 11.911 5.228 1.00 25.00 C ATOM 853 SD MET A 58 9.640 12.036 6.391 1.00 25.00 S ATOM 854 CE MET A 58 8.783 12.280 7.946 1.00 25.00 C ATOM 0 H MET A 58 4.803 11.364 5.676 1.00 25.00 H new ATOM 0 HA MET A 58 6.619 10.686 3.420 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.112 10.542 6.412 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.125 9.771 5.208 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.648 11.973 4.210 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.597 12.762 5.370 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.494 12.601 8.707 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.015 13.043 7.822 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.318 11.344 8.256 1.00 25.00 H new ATOM 864 N MET A 59 5.194 8.611 3.362 1.00 25.00 N ATOM 865 CA MET A 59 4.442 7.356 3.284 1.00 25.00 C ATOM 866 C MET A 59 4.583 6.700 1.912 1.00 25.00 C ATOM 867 O MET A 59 4.893 7.364 0.918 1.00 25.00 O ATOM 868 CB MET A 59 2.953 7.612 3.566 1.00 25.00 C ATOM 869 CG MET A 59 2.014 7.226 2.424 1.00 25.00 C ATOM 870 SD MET A 59 0.253 7.659 2.644 1.00 25.00 S ATOM 871 CE MET A 59 0.263 9.333 3.292 1.00 25.00 C ATOM 0 H MET A 59 5.362 9.048 2.456 1.00 25.00 H new ATOM 0 HA MET A 59 4.854 6.682 4.035 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.665 7.057 4.459 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.816 8.670 3.790 1.00 25.00 H new ATOM 0 HG2 MET A 59 2.372 7.702 1.511 1.00 25.00 H new ATOM 0 HG3 MET A 59 2.085 6.149 2.271 1.00 25.00 H new ATOM 0 HE1 MET A 59 -0.751 9.732 3.285 1.00 25.00 H new ATOM 0 HE2 MET A 59 0.643 9.325 4.314 1.00 25.00 H new ATOM 0 HE3 MET A 59 0.903 9.960 2.671 1.00 25.00 H new ATOM 881 N LEU A 60 4.350 5.383 1.884 1.00 25.00 N ATOM 882 CA LEU A 60 4.352 4.601 0.652 1.00 25.00 C ATOM 883 C LEU A 60 3.184 3.614 0.690 1.00 25.00 C ATOM 884 O LEU A 60 3.131 2.740 1.558 1.00 25.00 O ATOM 885 CB LEU A 60 5.692 3.851 0.513 1.00 25.00 C ATOM 886 CG LEU A 60 5.786 2.793 -0.601 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.633 3.431 -1.960 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.099 2.036 -0.577 1.00 25.00 C ATOM 0 H LEU A 60 4.155 4.832 2.720 1.00 25.00 H new ATOM 0 HA LEU A 60 4.237 5.259 -0.209 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.478 4.588 0.348 1.00 25.00 H new ATOM 0 HB3 LEU A 60 5.908 3.363 1.463 1.00 25.00 H new ATOM 0 HG LEU A 60 4.975 2.089 -0.415 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.703 2.664 -2.732 1.00 25.00 H new ATOM 0 HD12 LEU A 60 4.662 3.923 -2.024 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.423 4.167 -2.107 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.111 1.303 -1.384 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.925 2.735 -0.710 1.00 25.00 H new ATOM 0 HD23 LEU A 60 7.207 1.525 0.380 1.00 25.00 H new ATOM 900 N ARG A 61 2.260 3.748 -0.265 1.00 25.00 N ATOM 901 CA ARG A 61 1.068 2.894 -0.316 1.00 25.00 C ATOM 902 C ARG A 61 1.249 1.776 -1.340 1.00 25.00 C ATOM 903 O ARG A 61 1.878 1.965 -2.384 1.00 25.00 O ATOM 904 CB ARG A 61 -0.194 3.703 -0.679 1.00 25.00 C ATOM 905 CG ARG A 61 -1.496 2.915 -0.795 1.00 25.00 C ATOM 906 CD ARG A 61 -2.722 3.783 -1.066 1.00 25.00 C ATOM 907 NE ARG A 61 -2.936 4.809 -0.039 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.554 4.582 1.134 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.038 3.378 1.435 1.00 25.00 N ATOM 910 NH2 ARG A 61 -3.690 5.566 2.010 1.00 25.00 N ATOM 0 H ARG A 61 2.313 4.439 -1.013 1.00 25.00 H new ATOM 0 HA ARG A 61 0.939 2.467 0.678 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.330 4.479 0.074 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.015 4.208 -1.628 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -1.396 2.184 -1.597 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -1.655 2.357 0.128 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -2.611 4.266 -2.037 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -3.605 3.147 -1.126 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.595 5.752 -0.226 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -3.943 2.610 0.771 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -4.504 3.225 2.329 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.326 6.494 1.795 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -4.158 5.395 2.900 1.00 25.00 H new ATOM 924 N LEU A 62 0.689 0.613 -1.014 1.00 25.00 N ATOM 925 CA LEU A 62 0.733 -0.560 -1.878 1.00 25.00 C ATOM 926 C LEU A 62 -0.688 -1.045 -2.161 1.00 25.00 C ATOM 927 O LEU A 62 -1.321 -1.701 -1.329 1.00 25.00 O ATOM 928 CB LEU A 62 1.565 -1.671 -1.205 1.00 25.00 C ATOM 929 CG LEU A 62 3.092 -1.717 -1.453 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.387 -1.967 -2.917 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.810 -0.453 -0.977 1.00 25.00 C ATOM 0 H LEU A 62 0.190 0.459 -0.138 1.00 25.00 H new ATOM 0 HA LEU A 62 1.205 -0.299 -2.825 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.408 -1.594 -0.129 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.151 -2.629 -1.520 1.00 25.00 H new ATOM 0 HG LEU A 62 3.478 -2.545 -0.859 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.466 -1.996 -3.071 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.952 -2.920 -3.218 1.00 25.00 H new ATOM 0 HD13 LEU A 62 2.956 -1.165 -3.517 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.878 -0.544 -1.177 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.413 0.412 -1.508 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.651 -0.326 0.094 1.00 25.00 H new ATOM 943 N ILE A 63 -1.168 -0.719 -3.357 1.00 25.00 N ATOM 944 CA ILE A 63 -2.547 -0.994 -3.770 1.00 25.00 C ATOM 945 C ILE A 63 -2.643 -2.425 -4.320 1.00 25.00 C ATOM 946 O ILE A 63 -1.843 -2.829 -5.169 1.00 25.00 O ATOM 947 CB ILE A 63 -3.011 0.057 -4.840 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.016 1.511 -4.299 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.397 -0.254 -5.405 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.276 2.587 -5.334 1.00 25.00 C ATOM 0 H ILE A 63 -0.611 -0.254 -4.074 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.210 -0.909 -2.909 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.271 -0.021 -5.636 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.775 1.589 -3.520 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.053 1.709 -3.827 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.669 0.504 -6.140 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.384 -1.234 -5.882 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.128 -0.254 -4.596 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.259 3.565 -4.854 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.504 2.546 -6.103 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.252 2.424 -5.791 1.00 25.00 H new ATOM 962 N GLY A 64 -3.642 -3.164 -3.834 1.00 25.00 N ATOM 963 CA GLY A 64 -3.744 -4.589 -4.106 1.00 25.00 C ATOM 964 C GLY A 64 -4.597 -4.930 -5.312 1.00 25.00 C ATOM 965 O GLY A 64 -5.374 -4.101 -5.794 1.00 25.00 O ATOM 0 H GLY A 64 -4.391 -2.793 -3.249 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.742 -4.992 -4.257 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.158 -5.087 -3.229 1.00 25.00 H new ATOM 969 N LYS A 65 -4.439 -6.170 -5.788 1.00 25.00 N ATOM 970 CA LYS A 65 -5.224 -6.701 -6.903 1.00 25.00 C ATOM 971 C LYS A 65 -6.592 -7.187 -6.431 1.00 25.00 C ATOM 972 O LYS A 65 -6.692 -8.073 -5.575 1.00 25.00 O ATOM 973 CB LYS A 65 -4.458 -7.827 -7.594 1.00 25.00 C ATOM 974 CG LYS A 65 -5.179 -8.356 -8.817 1.00 25.00 C ATOM 975 CD LYS A 65 -4.406 -9.470 -9.497 1.00 25.00 C ATOM 976 CE LYS A 65 -5.149 -9.992 -10.718 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.419 -11.102 -11.390 1.00 25.00 N ATOM 0 H LYS A 65 -3.762 -6.833 -5.409 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.389 -5.897 -7.621 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.472 -7.465 -7.886 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.302 -8.642 -6.888 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.163 -8.723 -8.527 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.338 -7.542 -9.524 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.423 -9.104 -9.795 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.242 -10.285 -8.792 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.138 -10.339 -10.418 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.298 -9.177 -11.426 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -4.963 -11.425 -12.216 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.485 -10.766 -11.700 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.299 -11.892 -10.724 1.00 25.00 H new ATOM 1019 N GLU A 68 -12.995 -7.890 -8.673 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.254 -7.126 -8.613 1.00 25.00 C ATOM 1021 C GLU A 68 -15.475 -7.918 -9.127 1.00 25.00 C ATOM 1022 O GLU A 68 -16.601 -7.411 -9.108 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.098 -5.803 -9.374 1.00 25.00 C ATOM 1024 CG GLU A 68 -13.931 -5.977 -10.883 1.00 25.00 C ATOM 1025 CD GLU A 68 -13.767 -4.655 -11.610 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -13.667 -3.612 -10.931 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -13.739 -4.665 -12.858 1.00 25.00 O ATOM 0 HA GLU A 68 -14.453 -6.921 -7.561 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -14.972 -5.180 -9.184 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -13.233 -5.268 -8.981 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.062 -6.605 -11.078 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -14.799 -6.501 -11.282 1.00 25.00 H new ATOM 1034 N SER A 69 -15.239 -9.162 -9.576 1.00 25.00 N ATOM 1035 CA SER A 69 -16.319 -10.077 -9.978 1.00 25.00 C ATOM 1036 C SER A 69 -16.998 -10.730 -8.754 1.00 25.00 C ATOM 1037 O SER A 69 -17.929 -11.530 -8.901 1.00 25.00 O ATOM 1038 CB SER A 69 -15.768 -11.155 -10.923 1.00 25.00 C ATOM 1039 OG SER A 69 -14.888 -12.038 -10.246 1.00 25.00 O ATOM 0 H SER A 69 -14.304 -9.558 -9.670 1.00 25.00 H new ATOM 0 HA SER A 69 -17.077 -9.493 -10.501 1.00 25.00 H new ATOM 0 HB2 SER A 69 -16.595 -11.721 -11.352 1.00 25.00 H new ATOM 0 HB3 SER A 69 -15.243 -10.680 -11.752 1.00 25.00 H new ATOM 0 HG SER A 69 -14.556 -12.713 -10.874 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.523 -10.367 -7.549 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.091 -10.853 -6.280 1.00 25.00 C ATOM 1047 C LYS A 70 -18.208 -9.913 -5.772 1.00 25.00 C ATOM 1048 O LYS A 70 -18.442 -9.792 -4.563 1.00 25.00 O ATOM 1049 CB LYS A 70 -15.978 -10.983 -5.223 1.00 25.00 C ATOM 1050 CG LYS A 70 -15.002 -12.136 -5.484 1.00 25.00 C ATOM 1051 CD LYS A 70 -13.928 -12.266 -4.401 1.00 25.00 C ATOM 1052 CE LYS A 70 -12.947 -13.403 -4.684 1.00 25.00 C ATOM 1053 NZ LYS A 70 -11.768 -13.361 -3.775 1.00 25.00 N ATOM 0 H LYS A 70 -15.736 -9.730 -7.428 1.00 25.00 H new ATOM 0 HA LYS A 70 -17.534 -11.833 -6.456 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -15.418 -10.049 -5.183 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -16.436 -11.123 -4.244 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -15.560 -13.070 -5.549 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -14.520 -11.985 -6.450 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -13.379 -11.328 -4.324 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -14.407 -12.435 -3.437 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -13.458 -14.359 -4.571 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -12.610 -13.342 -5.719 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -11.128 -14.149 -4.000 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -11.265 -12.459 -3.900 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -12.087 -13.445 -2.789 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.891 -9.267 -6.725 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.950 -8.268 -6.454 1.00 25.00 C ATOM 1069 C LYS A 71 -20.955 -8.737 -5.393 1.00 25.00 C ATOM 1070 O LYS A 71 -21.632 -9.758 -5.562 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.710 -7.934 -7.753 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.868 -7.312 -8.858 1.00 25.00 C ATOM 1073 CD LYS A 71 -20.695 -7.031 -10.108 1.00 25.00 C ATOM 1074 CE LYS A 71 -19.849 -6.409 -11.202 1.00 25.00 C ATOM 1075 NZ LYS A 71 -20.663 -5.960 -12.368 1.00 25.00 N ATOM 0 H LYS A 71 -18.727 -9.420 -7.720 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.448 -7.382 -6.066 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -21.163 -8.849 -8.135 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.525 -7.252 -7.512 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -19.425 -6.383 -8.499 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -19.045 -7.981 -9.109 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -21.136 -7.959 -10.471 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -21.519 -6.362 -9.858 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -19.303 -5.558 -10.795 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -19.107 -7.133 -11.538 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -20.038 -5.543 -13.087 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -21.164 -6.775 -12.776 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -21.355 -5.249 -12.055 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.021 -7.974 -4.296 1.00 25.00 N ATOM 1090 CA ARG A 72 -21.889 -8.289 -3.167 1.00 25.00 C ATOM 1091 C ARG A 72 -23.126 -7.378 -3.182 1.00 25.00 C ATOM 1092 O ARG A 72 -23.086 -6.284 -3.750 1.00 25.00 O ATOM 1093 CB ARG A 72 -21.093 -8.112 -1.862 1.00 25.00 C ATOM 1094 CG ARG A 72 -19.964 -9.123 -1.658 1.00 25.00 C ATOM 1095 CD ARG A 72 -19.438 -9.108 -0.225 1.00 25.00 C ATOM 1096 NE ARG A 72 -20.457 -9.520 0.754 1.00 25.00 N ATOM 1097 CZ ARG A 72 -21.046 -8.700 1.637 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -20.743 -7.403 1.686 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -21.948 -9.186 2.477 1.00 25.00 N ATOM 0 H ARG A 72 -20.473 -7.123 -4.171 1.00 25.00 H new ATOM 0 HA ARG A 72 -22.232 -9.321 -3.239 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -20.670 -7.108 -1.844 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -21.782 -8.183 -1.020 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -20.323 -10.123 -1.902 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -19.149 -8.900 -2.346 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -18.577 -9.773 -0.150 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -19.088 -8.105 0.020 1.00 25.00 H new ATOM 0 HE ARG A 72 -20.736 -10.501 0.761 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -20.051 -7.016 1.044 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -21.203 -6.797 2.365 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -22.190 -10.177 2.449 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -22.401 -8.570 3.152 1.00 25.00 H new ATOM 1113 N LYS A 73 -24.219 -7.845 -2.569 1.00 25.00 N ATOM 1114 CA LYS A 73 -25.449 -7.057 -2.449 1.00 25.00 C ATOM 1115 C LYS A 73 -25.895 -6.995 -0.991 1.00 25.00 C ATOM 1116 O LYS A 73 -25.743 -7.966 -0.242 1.00 25.00 O ATOM 1117 CB LYS A 73 -26.571 -7.642 -3.319 1.00 25.00 C ATOM 1118 CG LYS A 73 -26.286 -7.561 -4.807 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.451 -8.061 -5.635 1.00 25.00 C ATOM 1120 CE LYS A 73 -27.115 -8.037 -7.115 1.00 25.00 C ATOM 1121 NZ LYS A 73 -28.245 -8.527 -7.952 1.00 25.00 N ATOM 0 H LYS A 73 -24.276 -8.771 -2.146 1.00 25.00 H new ATOM 0 HA LYS A 73 -25.238 -6.048 -2.802 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -26.728 -8.685 -3.043 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -27.500 -7.113 -3.105 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -26.065 -6.529 -5.078 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.398 -8.149 -5.039 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.707 -9.076 -5.333 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -28.328 -7.441 -5.447 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.858 -7.020 -7.412 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -26.235 -8.654 -7.297 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.974 -8.494 -8.955 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.474 -9.506 -7.687 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -29.078 -7.923 -7.799 1.00 25.00 H new ATOM 1135 N ASP A 74 -26.452 -5.844 -0.604 1.00 25.00 N ATOM 1136 CA ASP A 74 -26.879 -5.596 0.781 1.00 25.00 C ATOM 1137 C ASP A 74 -28.309 -6.121 1.044 1.00 25.00 C ATOM 1138 O ASP A 74 -28.864 -6.843 0.210 1.00 25.00 O ATOM 1139 CB ASP A 74 -26.750 -4.089 1.111 1.00 25.00 C ATOM 1140 CG ASP A 74 -27.704 -3.201 0.322 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -28.580 -3.749 -0.379 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -27.572 -1.961 0.409 1.00 25.00 O ATOM 0 H ASP A 74 -26.620 -5.061 -1.235 1.00 25.00 H new ATOM 0 HA ASP A 74 -26.220 -6.152 1.448 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -26.931 -3.943 2.176 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -25.726 -3.770 0.915 1.00 25.00 H new ATOM 1147 N ASN A 75 -28.899 -5.753 2.199 1.00 25.00 N ATOM 1148 CA ASN A 75 -30.237 -6.232 2.611 1.00 25.00 C ATOM 1149 C ASN A 75 -31.339 -5.922 1.584 1.00 25.00 C ATOM 1150 O ASN A 75 -32.293 -6.694 1.439 1.00 25.00 O ATOM 1151 CB ASN A 75 -30.621 -5.614 3.960 1.00 25.00 C ATOM 1152 CG ASN A 75 -29.847 -6.208 5.125 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -29.301 -7.306 5.024 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -29.799 -5.482 6.235 1.00 25.00 N ATOM 0 H ASN A 75 -28.466 -5.119 2.870 1.00 25.00 H new ATOM 0 HA ASN A 75 -30.164 -7.317 2.688 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -30.445 -4.539 3.924 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -31.688 -5.757 4.129 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -29.294 -5.830 7.050 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -30.267 -4.577 6.273 1.00 25.00 H new ATOM 1161 N GLU A 76 -31.187 -4.804 0.863 1.00 25.00 N ATOM 1162 CA GLU A 76 -32.211 -4.338 -0.082 1.00 25.00 C ATOM 1163 C GLU A 76 -32.011 -4.928 -1.485 1.00 25.00 C ATOM 1164 O GLU A 76 -32.950 -4.959 -2.287 1.00 25.00 O ATOM 1165 CB GLU A 76 -32.214 -2.803 -0.152 1.00 25.00 C ATOM 1166 CG GLU A 76 -32.617 -2.124 1.153 1.00 25.00 C ATOM 1167 CD GLU A 76 -32.603 -0.611 1.054 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -32.303 -0.090 -0.040 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.895 0.053 2.072 1.00 25.00 O ATOM 0 H GLU A 76 -30.364 -4.204 0.916 1.00 25.00 H new ATOM 0 HA GLU A 76 -33.176 -4.686 0.288 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -31.219 -2.460 -0.436 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.897 -2.487 -0.940 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -33.615 -2.456 1.437 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -31.939 -2.438 1.946 1.00 25.00 H new ATOM 1176 N GLY A 77 -30.787 -5.396 -1.767 1.00 25.00 N ATOM 1177 CA GLY A 77 -30.470 -5.976 -3.069 1.00 25.00 C ATOM 1178 C GLY A 77 -29.729 -5.015 -3.983 1.00 25.00 C ATOM 1179 O GLY A 77 -29.707 -5.206 -5.203 1.00 25.00 O ATOM 0 H GLY A 77 -30.007 -5.382 -1.110 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -29.864 -6.871 -2.924 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -31.394 -6.291 -3.555 1.00 25.00 H new ATOM 1183 N ASN A 78 -29.123 -3.981 -3.387 1.00 25.00 N ATOM 1184 CA ASN A 78 -28.323 -3.000 -4.124 1.00 25.00 C ATOM 1185 C ASN A 78 -26.863 -3.449 -4.180 1.00 25.00 C ATOM 1186 O ASN A 78 -26.364 -4.071 -3.237 1.00 25.00 O ATOM 1187 CB ASN A 78 -28.428 -1.617 -3.458 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.809 -0.987 -3.591 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.554 -1.269 -4.532 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -30.158 -0.129 -2.639 1.00 25.00 N ATOM 0 H ASN A 78 -29.174 -3.803 -2.384 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.708 -2.927 -5.141 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -28.179 -1.711 -2.401 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.688 -0.951 -3.902 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -31.072 0.323 -2.670 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.512 0.077 -1.877 1.00 25.00 H new ATOM 1197 N GLU A 79 -26.181 -3.127 -5.290 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.811 -3.593 -5.524 1.00 25.00 C ATOM 1199 C GLU A 79 -23.806 -2.872 -4.619 1.00 25.00 C ATOM 1200 O GLU A 79 -23.614 -1.655 -4.722 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.420 -3.406 -6.991 1.00 25.00 C ATOM 1202 CG GLU A 79 -23.055 -3.983 -7.359 1.00 25.00 C ATOM 1203 CD GLU A 79 -22.720 -3.852 -8.836 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -23.595 -3.397 -9.603 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -21.585 -4.202 -9.221 1.00 25.00 O ATOM 0 H GLU A 79 -26.559 -2.545 -6.038 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.784 -4.655 -5.280 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -25.179 -3.872 -7.619 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.425 -2.341 -7.223 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -22.286 -3.478 -6.774 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -23.027 -5.036 -7.080 1.00 25.00 H new ATOM 1212 N VAL A 80 -23.186 -3.648 -3.732 1.00 25.00 N ATOM 1213 CA VAL A 80 -22.129 -3.151 -2.855 1.00 25.00 C ATOM 1214 C VAL A 80 -20.832 -3.901 -3.152 1.00 25.00 C ATOM 1215 O VAL A 80 -20.640 -5.044 -2.719 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.496 -3.249 -1.338 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.376 -2.682 -0.479 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.812 -2.542 -1.013 1.00 25.00 C ATOM 0 H VAL A 80 -23.402 -4.636 -3.602 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.999 -2.089 -3.063 1.00 25.00 H new ATOM 0 HB VAL A 80 -22.626 -4.307 -1.111 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -21.650 -2.759 0.573 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -20.460 -3.245 -0.658 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -21.215 -1.635 -0.736 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -24.023 -2.638 0.052 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.732 -1.487 -1.273 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -24.620 -2.997 -1.586 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.952 -3.247 -3.905 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.742 -3.889 -4.413 1.00 25.00 C ATOM 1230 C VAL A 81 -17.533 -3.663 -3.470 1.00 25.00 C ATOM 1231 O VAL A 81 -17.256 -2.521 -3.091 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.439 -3.441 -5.886 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.162 -4.080 -6.437 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.619 -3.702 -6.830 1.00 25.00 C ATOM 0 H VAL A 81 -20.054 -2.270 -4.178 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.921 -4.964 -4.435 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.281 -2.364 -5.841 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -16.996 -3.739 -7.459 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.314 -3.792 -5.816 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.266 -5.165 -6.429 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.359 -3.375 -7.837 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.846 -4.768 -6.842 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.492 -3.149 -6.483 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.793 -4.757 -3.076 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.585 -4.647 -2.227 1.00 25.00 C ATOM 1246 C PRO A 82 -14.424 -3.954 -2.941 1.00 25.00 C ATOM 1247 O PRO A 82 -14.223 -4.138 -4.145 1.00 25.00 O ATOM 1248 CB PRO A 82 -15.223 -6.110 -1.916 1.00 25.00 C ATOM 1249 CG PRO A 82 -15.797 -6.886 -3.045 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.072 -6.183 -3.384 1.00 25.00 C ATOM 0 HA PRO A 82 -15.774 -4.042 -1.340 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -14.144 -6.246 -1.850 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -15.643 -6.428 -0.962 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.118 -6.905 -3.897 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -15.980 -7.922 -2.760 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -17.336 -6.320 -4.433 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.906 -6.563 -2.793 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.670 -3.162 -2.178 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.582 -2.346 -2.727 1.00 25.00 C ATOM 1260 C LYS A 83 -11.212 -3.063 -2.625 1.00 25.00 C ATOM 1261 O LYS A 83 -11.067 -3.993 -1.827 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.545 -0.966 -2.030 1.00 25.00 C ATOM 1263 CG LYS A 83 -13.778 -0.096 -2.268 1.00 25.00 C ATOM 1264 CD LYS A 83 -13.705 1.263 -1.562 1.00 25.00 C ATOM 1265 CE LYS A 83 -14.934 2.131 -1.826 1.00 25.00 C ATOM 1266 NZ LYS A 83 -14.908 3.406 -1.050 1.00 25.00 N ATOM 0 H LYS A 83 -13.793 -3.067 -1.170 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.780 -2.195 -3.788 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.427 -1.119 -0.957 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -11.664 -0.424 -2.373 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -13.900 0.065 -3.339 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -14.663 -0.630 -1.923 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -13.601 1.105 -0.489 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -12.813 1.793 -1.895 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -14.993 2.358 -2.890 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -15.833 1.571 -1.569 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -15.762 3.960 -1.263 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -14.879 3.193 -0.033 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -14.065 3.955 -1.313 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.667 -0.918 1.215 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.720 -1.056 2.338 1.00 25.00 C ATOM 1337 C HIS A 87 0.243 0.140 2.403 1.00 25.00 C ATOM 1338 O HIS A 87 1.042 0.349 1.489 1.00 25.00 O ATOM 1339 CB HIS A 87 0.082 -2.368 2.205 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.749 -3.618 2.168 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.232 -4.236 3.301 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -1.148 -4.386 1.124 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.889 -5.330 2.958 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.854 -5.442 1.643 1.00 25.00 N ATOM 0 HA HIS A 87 -1.299 -1.081 3.261 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.680 -2.320 1.295 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.778 -2.437 3.041 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.948 -4.201 0.079 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.372 -6.016 3.638 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.282 -6.192 1.101 1.00 25.00 H new ATOM 1353 N MET A 88 0.182 0.908 3.503 1.00 25.00 N ATOM 1354 CA MET A 88 1.008 2.119 3.663 1.00 25.00 C ATOM 1355 C MET A 88 2.277 1.819 4.474 1.00 25.00 C ATOM 1356 O MET A 88 2.280 0.940 5.340 1.00 25.00 O ATOM 1357 CB MET A 88 0.214 3.214 4.384 1.00 25.00 C ATOM 1358 CG MET A 88 -0.930 3.802 3.565 1.00 25.00 C ATOM 1359 SD MET A 88 -1.993 4.869 4.549 1.00 25.00 S ATOM 1360 CE MET A 88 -0.784 5.685 5.587 1.00 25.00 C ATOM 0 H MET A 88 -0.430 0.713 4.295 1.00 25.00 H new ATOM 0 HA MET A 88 1.290 2.458 2.666 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.191 2.804 5.309 1.00 25.00 H new ATOM 0 HB3 MET A 88 0.896 4.017 4.663 1.00 25.00 H new ATOM 0 HG2 MET A 88 -0.522 4.370 2.729 1.00 25.00 H new ATOM 0 HG3 MET A 88 -1.524 2.993 3.140 1.00 25.00 H new ATOM 0 HE1 MET A 88 -1.238 6.556 6.059 1.00 25.00 H new ATOM 0 HE2 MET A 88 -0.439 4.994 6.356 1.00 25.00 H new ATOM 0 HE3 MET A 88 0.063 6.002 4.979 1.00 25.00 H new ATOM 1370 N PHE A 89 3.350 2.567 4.176 1.00 25.00 N ATOM 1371 CA PHE A 89 4.598 2.508 4.946 1.00 25.00 C ATOM 1372 C PHE A 89 5.170 3.917 5.097 1.00 25.00 C ATOM 1373 O PHE A 89 5.377 4.610 4.102 1.00 25.00 O ATOM 1374 CB PHE A 89 5.665 1.631 4.259 1.00 25.00 C ATOM 1375 CG PHE A 89 5.299 0.185 4.044 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.728 -0.217 2.847 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.535 -0.763 5.021 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.394 -1.535 2.629 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.202 -2.087 4.814 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.628 -2.475 3.616 1.00 25.00 C ATOM 0 H PHE A 89 3.376 3.226 3.398 1.00 25.00 H new ATOM 0 HA PHE A 89 4.358 2.070 5.915 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.900 2.073 3.291 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.576 1.669 4.856 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.542 0.514 2.074 1.00 25.00 H new ATOM 0 HD2 PHE A 89 5.985 -0.465 5.957 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.951 -1.834 1.690 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.389 -2.819 5.586 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.363 -3.509 3.452 1.00 25.00 H new ATOM 1390 N SER A 90 5.445 4.333 6.336 1.00 25.00 N ATOM 1391 CA SER A 90 6.002 5.668 6.597 1.00 25.00 C ATOM 1392 C SER A 90 7.523 5.675 6.424 1.00 25.00 C ATOM 1393 O SER A 90 8.202 4.697 6.747 1.00 25.00 O ATOM 1394 CB SER A 90 5.620 6.148 7.992 1.00 25.00 C ATOM 1395 OG SER A 90 4.296 6.648 8.021 1.00 25.00 O ATOM 0 H SER A 90 5.293 3.769 7.172 1.00 25.00 H new ATOM 0 HA SER A 90 5.577 6.356 5.867 1.00 25.00 H new ATOM 0 HB2 SER A 90 5.716 5.325 8.701 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.312 6.927 8.313 1.00 25.00 H new ATOM 0 HG SER A 90 4.079 6.947 8.929 1.00 25.00 H new ATOM 1401 N PHE A 91 8.038 6.792 5.909 1.00 25.00 N ATOM 1402 CA PHE A 91 9.451 6.915 5.532 1.00 25.00 C ATOM 1403 C PHE A 91 10.103 8.156 6.152 1.00 25.00 C ATOM 1404 O PHE A 91 9.444 8.944 6.834 1.00 25.00 O ATOM 1405 CB PHE A 91 9.567 6.973 4.001 1.00 25.00 C ATOM 1406 CG PHE A 91 9.564 5.627 3.322 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.390 4.893 3.223 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.729 5.088 2.792 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.380 3.651 2.614 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.716 3.847 2.180 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.574 3.155 2.044 1.00 25.00 C ATOM 0 H PHE A 91 7.491 7.636 5.741 1.00 25.00 H new ATOM 0 HA PHE A 91 9.979 6.042 5.915 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.740 7.565 3.609 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.487 7.496 3.739 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.473 5.297 3.626 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.653 5.642 2.858 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.472 3.068 2.575 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.639 3.429 1.806 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.568 2.222 1.500 1.00 25.00 H new ATOM 1421 N ASN A 92 11.419 8.298 5.923 1.00 25.00 N ATOM 1422 CA ASN A 92 12.182 9.458 6.393 1.00 25.00 C ATOM 1423 C ASN A 92 12.878 10.173 5.216 1.00 25.00 C ATOM 1424 O ASN A 92 13.327 11.314 5.360 1.00 25.00 O ATOM 1425 CB ASN A 92 13.214 9.010 7.444 1.00 25.00 C ATOM 1426 CG ASN A 92 12.588 8.335 8.656 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.918 8.982 9.462 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.801 7.031 8.788 1.00 25.00 N ATOM 0 H ASN A 92 11.977 7.615 5.410 1.00 25.00 H new ATOM 0 HA ASN A 92 11.493 10.167 6.852 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.920 8.322 6.979 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.785 9.878 7.775 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.403 6.527 9.580 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.362 6.533 8.097 1.00 25.00 H new ATOM 1435 N ASN A 93 12.963 9.491 4.059 1.00 25.00 N ATOM 1436 CA ASN A 93 13.613 10.038 2.854 1.00 25.00 C ATOM 1437 C ASN A 93 12.869 9.605 1.586 1.00 25.00 C ATOM 1438 O ASN A 93 12.359 8.484 1.508 1.00 25.00 O ATOM 1439 CB ASN A 93 15.078 9.578 2.772 1.00 25.00 C ATOM 1440 CG ASN A 93 15.861 10.276 1.672 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.346 11.164 0.995 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.113 9.868 1.486 1.00 25.00 N ATOM 0 H ASN A 93 12.586 8.552 3.933 1.00 25.00 H new ATOM 0 HA ASN A 93 13.583 11.125 2.926 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.565 9.763 3.730 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.106 8.502 2.603 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.686 10.295 0.758 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.500 9.128 2.071 1.00 25.00 H new ATOM 1449 N ARG A 94 12.816 10.513 0.596 1.00 25.00 N ATOM 1450 CA ARG A 94 12.108 10.266 -0.674 1.00 25.00 C ATOM 1451 C ARG A 94 12.927 9.426 -1.657 1.00 25.00 C ATOM 1452 O ARG A 94 12.364 8.818 -2.571 1.00 25.00 O ATOM 1453 CB ARG A 94 11.714 11.584 -1.354 1.00 25.00 C ATOM 1454 CG ARG A 94 11.577 12.764 -0.402 1.00 25.00 C ATOM 1455 CD ARG A 94 10.300 12.700 0.427 1.00 25.00 C ATOM 1456 NE ARG A 94 10.228 13.776 1.426 1.00 25.00 N ATOM 1457 CZ ARG A 94 9.128 14.109 2.118 1.00 25.00 C ATOM 1458 NH1 ARG A 94 7.976 13.465 1.937 1.00 25.00 N ATOM 1459 NH2 ARG A 94 9.185 15.100 2.998 1.00 25.00 N ATOM 0 H ARG A 94 13.258 11.431 0.651 1.00 25.00 H new ATOM 0 HA ARG A 94 11.213 9.703 -0.409 1.00 25.00 H new ATOM 0 HB2 ARG A 94 12.461 11.827 -2.110 1.00 25.00 H new ATOM 0 HB3 ARG A 94 10.768 11.441 -1.876 1.00 25.00 H new ATOM 0 HG2 ARG A 94 12.439 12.790 0.265 1.00 25.00 H new ATOM 0 HG3 ARG A 94 11.589 13.692 -0.974 1.00 25.00 H new ATOM 0 HD2 ARG A 94 9.436 12.764 -0.235 1.00 25.00 H new ATOM 0 HD3 ARG A 94 10.245 11.735 0.931 1.00 25.00 H new ATOM 0 HE ARG A 94 11.078 14.310 1.607 1.00 25.00 H new ATOM 0 HH11 ARG A 94 7.919 12.703 1.262 1.00 25.00 H new ATOM 0 HH12 ARG A 94 7.151 13.734 2.474 1.00 25.00 H new ATOM 0 HH21 ARG A 94 10.061 15.602 3.144 1.00 25.00 H new ATOM 0 HH22 ARG A 94 8.353 15.360 3.528 1.00 25.00 H new ATOM 1473 N THR A 95 14.253 9.399 -1.472 1.00 25.00 N ATOM 1474 CA THR A 95 15.149 8.636 -2.350 1.00 25.00 C ATOM 1475 C THR A 95 15.083 7.134 -2.027 1.00 25.00 C ATOM 1476 O THR A 95 15.393 6.306 -2.884 1.00 25.00 O ATOM 1477 CB THR A 95 16.612 9.142 -2.235 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.111 8.895 -0.913 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.722 10.639 -2.523 1.00 25.00 C ATOM 0 H THR A 95 14.730 9.898 -0.721 1.00 25.00 H new ATOM 0 HA THR A 95 14.813 8.788 -3.376 1.00 25.00 H new ATOM 0 HB THR A 95 17.200 8.601 -2.976 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.076 9.066 -0.890 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.762 10.952 -2.432 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.370 10.842 -3.534 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.113 11.193 -1.809 1.00 25.00 H new ATOM 1487 N VAL A 96 14.661 6.792 -0.796 1.00 25.00 N ATOM 1488 CA VAL A 96 14.447 5.387 -0.412 1.00 25.00 C ATOM 1489 C VAL A 96 13.149 4.878 -1.057 1.00 25.00 C ATOM 1490 O VAL A 96 13.206 4.001 -1.907 1.00 25.00 O ATOM 1491 CB VAL A 96 14.401 5.171 1.138 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.177 3.698 1.485 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.679 5.661 1.811 1.00 25.00 C ATOM 0 H VAL A 96 14.463 7.465 -0.056 1.00 25.00 H new ATOM 0 HA VAL A 96 15.303 4.818 -0.775 1.00 25.00 H new ATOM 0 HB VAL A 96 13.562 5.757 1.513 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.150 3.579 2.568 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.231 3.364 1.059 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.991 3.100 1.075 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.611 5.495 2.886 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.533 5.113 1.413 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.808 6.726 1.616 1.00 25.00 H new ATOM 1503 N MET A 97 11.995 5.485 -0.689 1.00 25.00 N ATOM 1504 CA MET A 97 10.665 5.110 -1.245 1.00 25.00 C ATOM 1505 C MET A 97 10.684 5.002 -2.777 1.00 25.00 C ATOM 1506 O MET A 97 10.056 4.113 -3.342 1.00 25.00 O ATOM 1507 CB MET A 97 9.576 6.113 -0.804 1.00 25.00 C ATOM 1508 CG MET A 97 9.729 7.517 -1.361 1.00 25.00 C ATOM 1509 SD MET A 97 8.469 8.672 -0.766 1.00 25.00 S ATOM 1510 CE MET A 97 8.939 8.880 0.952 1.00 25.00 C ATOM 0 H MET A 97 11.955 6.241 -0.006 1.00 25.00 H new ATOM 0 HA MET A 97 10.427 4.125 -0.843 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.603 5.724 -1.104 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.575 6.169 0.285 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.715 7.899 -1.096 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.686 7.474 -2.449 1.00 25.00 H new ATOM 0 HE1 MET A 97 8.181 8.430 1.594 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.898 8.394 1.128 1.00 25.00 H new ATOM 0 HE3 MET A 97 9.024 9.943 1.180 1.00 25.00 H new ATOM 1520 N ASP A 98 11.416 5.917 -3.422 1.00 25.00 N ATOM 1521 CA ASP A 98 11.597 5.903 -4.879 1.00 25.00 C ATOM 1522 C ASP A 98 12.530 4.773 -5.348 1.00 25.00 C ATOM 1523 O ASP A 98 12.491 4.385 -6.518 1.00 25.00 O ATOM 1524 CB ASP A 98 12.135 7.265 -5.334 1.00 25.00 C ATOM 1525 CG ASP A 98 11.054 8.328 -5.392 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.859 7.963 -5.337 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.399 9.524 -5.493 1.00 25.00 O ATOM 0 H ASP A 98 11.897 6.684 -2.953 1.00 25.00 H new ATOM 0 HA ASP A 98 10.625 5.713 -5.334 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.921 7.588 -4.651 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.591 7.161 -6.319 1.00 25.00 H new ATOM 1532 N ASN A 99 13.362 4.259 -4.433 1.00 25.00 N ATOM 1533 CA ASN A 99 14.210 3.088 -4.704 1.00 25.00 C ATOM 1534 C ASN A 99 13.467 1.773 -4.421 1.00 25.00 C ATOM 1535 O ASN A 99 13.733 0.760 -5.074 1.00 25.00 O ATOM 1536 CB ASN A 99 15.506 3.151 -3.879 1.00 25.00 C ATOM 1537 CG ASN A 99 16.541 4.108 -4.456 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.553 4.394 -5.655 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.430 4.597 -3.599 1.00 25.00 N ATOM 0 H ASN A 99 13.467 4.638 -3.492 1.00 25.00 H new ATOM 0 HA ASN A 99 14.464 3.110 -5.764 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.266 3.457 -2.861 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.939 2.152 -3.818 1.00 25.00 H new ATOM 0 HD21 ASN A 99 18.157 5.234 -3.926 1.00 25.00 H new ATOM 0 HD22 ASN A 99 17.386 4.336 -2.614 1.00 25.00 H new ATOM 1546 N ILE A 100 12.535 1.795 -3.444 1.00 25.00 N ATOM 1547 CA ILE A 100 11.658 0.641 -3.170 1.00 25.00 C ATOM 1548 C ILE A 100 10.558 0.569 -4.255 1.00 25.00 C ATOM 1549 O ILE A 100 10.425 -0.447 -4.937 1.00 25.00 O ATOM 1550 CB ILE A 100 11.006 0.708 -1.732 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.043 0.956 -0.595 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.194 -0.553 -1.405 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.162 -0.074 -0.442 1.00 25.00 C ATOM 0 H ILE A 100 12.372 2.597 -2.835 1.00 25.00 H new ATOM 0 HA ILE A 100 12.271 -0.260 -3.196 1.00 25.00 H new ATOM 0 HB ILE A 100 10.337 1.567 -1.772 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.500 1.932 -0.760 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.503 1.013 0.350 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.765 -0.461 -0.407 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.393 -0.669 -2.135 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.847 -1.425 -1.440 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.813 0.216 0.383 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.730 -1.053 -0.236 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.742 -0.120 -1.363 1.00 25.00 H new ATOM 1565 N LYS A 101 9.806 1.680 -4.417 1.00 25.00 N ATOM 1566 CA LYS A 101 8.729 1.816 -5.418 1.00 25.00 C ATOM 1567 C LYS A 101 9.188 1.438 -6.832 1.00 25.00 C ATOM 1568 O LYS A 101 8.471 0.738 -7.538 1.00 25.00 O ATOM 1569 CB LYS A 101 8.206 3.253 -5.397 1.00 25.00 C ATOM 1570 CG LYS A 101 7.062 3.517 -6.371 1.00 25.00 C ATOM 1571 CD LYS A 101 6.522 4.942 -6.262 1.00 25.00 C ATOM 1572 CE LYS A 101 5.365 5.210 -7.221 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.040 6.661 -7.306 1.00 25.00 N ATOM 0 H LYS A 101 9.933 2.517 -3.848 1.00 25.00 H new ATOM 0 HA LYS A 101 7.934 1.120 -5.151 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.871 3.491 -4.387 1.00 25.00 H new ATOM 0 HB3 LYS A 101 9.028 3.930 -5.628 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.407 3.339 -7.389 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.255 2.810 -6.180 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.190 5.123 -5.240 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.328 5.648 -6.465 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.621 4.836 -8.212 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.484 4.659 -6.891 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.249 6.802 -7.967 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.771 7.012 -6.365 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.872 7.184 -7.646 1.00 25.00 H new ATOM 1587 N MET A 102 10.384 1.900 -7.225 1.00 25.00 N ATOM 1588 CA MET A 102 10.976 1.563 -8.532 1.00 25.00 C ATOM 1589 C MET A 102 11.057 0.046 -8.737 1.00 25.00 C ATOM 1590 O MET A 102 10.517 -0.469 -9.716 1.00 25.00 O ATOM 1591 CB MET A 102 12.346 2.221 -8.654 1.00 25.00 C ATOM 1592 CG MET A 102 13.100 1.896 -9.945 1.00 25.00 C ATOM 1593 SD MET A 102 14.899 2.064 -9.813 1.00 25.00 S ATOM 1594 CE MET A 102 15.443 0.359 -9.885 1.00 25.00 C ATOM 0 H MET A 102 10.965 2.513 -6.653 1.00 25.00 H new ATOM 0 HA MET A 102 10.331 1.949 -9.321 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.222 3.302 -8.584 1.00 25.00 H new ATOM 0 HB3 MET A 102 12.958 1.915 -7.805 1.00 25.00 H new ATOM 0 HG2 MET A 102 12.862 0.875 -10.245 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.742 2.553 -10.738 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.409 0.264 -9.390 1.00 25.00 H new ATOM 0 HE2 MET A 102 14.714 -0.277 -9.383 1.00 25.00 H new ATOM 0 HE3 MET A 102 15.537 0.051 -10.926 1.00 25.00 H new ATOM 1604 N THR A 103 11.720 -0.658 -7.804 1.00 25.00 N ATOM 1605 CA THR A 103 11.800 -2.124 -7.843 1.00 25.00 C ATOM 1606 C THR A 103 10.387 -2.728 -7.890 1.00 25.00 C ATOM 1607 O THR A 103 10.048 -3.391 -8.863 1.00 25.00 O ATOM 1608 CB THR A 103 12.599 -2.687 -6.635 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.913 -2.115 -6.614 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.727 -4.214 -6.694 1.00 25.00 C ATOM 0 H THR A 103 12.207 -0.234 -7.015 1.00 25.00 H new ATOM 0 HA THR A 103 12.337 -2.408 -8.748 1.00 25.00 H new ATOM 0 HB THR A 103 12.051 -2.423 -5.731 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.891 -1.263 -6.130 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.292 -4.565 -5.831 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.734 -4.663 -6.684 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.246 -4.501 -7.609 1.00 25.00 H new ATOM 1618 N LEU A 104 9.553 -2.411 -6.872 1.00 25.00 N ATOM 1619 CA LEU A 104 8.142 -2.838 -6.806 1.00 25.00 C ATOM 1620 C LEU A 104 7.458 -2.660 -8.168 1.00 25.00 C ATOM 1621 O LEU A 104 7.053 -3.630 -8.795 1.00 25.00 O ATOM 1622 CB LEU A 104 7.385 -1.991 -5.752 1.00 25.00 C ATOM 1623 CG LEU A 104 7.790 -2.171 -4.281 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.047 -1.176 -3.399 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.498 -3.575 -3.780 1.00 25.00 C ATOM 0 H LEU A 104 9.844 -1.850 -6.072 1.00 25.00 H new ATOM 0 HA LEU A 104 8.118 -3.891 -6.527 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.511 -0.940 -6.010 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.322 -2.215 -5.839 1.00 25.00 H new ATOM 0 HG LEU A 104 8.864 -1.996 -4.226 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.345 -1.317 -2.360 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.290 -0.160 -3.712 1.00 25.00 H new ATOM 0 HD13 LEU A 104 5.973 -1.337 -3.493 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.800 -3.659 -2.736 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.431 -3.778 -3.867 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.054 -4.297 -4.377 1.00 25.00 H new ATOM 1637 N GLN A 105 7.425 -1.405 -8.635 1.00 25.00 N ATOM 1638 CA GLN A 105 6.841 -1.023 -9.943 1.00 25.00 C ATOM 1639 C GLN A 105 7.385 -1.852 -11.118 1.00 25.00 C ATOM 1640 O GLN A 105 6.685 -2.063 -12.113 1.00 25.00 O ATOM 1641 CB GLN A 105 7.116 0.467 -10.211 1.00 25.00 C ATOM 1642 CG GLN A 105 6.472 1.004 -11.484 1.00 25.00 C ATOM 1643 CD GLN A 105 6.684 2.498 -11.686 1.00 25.00 C ATOM 1644 OE1 GLN A 105 7.319 3.174 -10.872 1.00 25.00 O ATOM 1645 NE2 GLN A 105 6.145 3.024 -12.778 1.00 25.00 N ATOM 0 H GLN A 105 7.805 -0.613 -8.116 1.00 25.00 H new ATOM 0 HA GLN A 105 5.771 -1.221 -9.878 1.00 25.00 H new ATOM 0 HB2 GLN A 105 6.757 1.049 -9.362 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.193 0.621 -10.270 1.00 25.00 H new ATOM 0 HG2 GLN A 105 6.878 0.468 -12.342 1.00 25.00 H new ATOM 0 HG3 GLN A 105 5.402 0.797 -11.456 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.627 2.432 -13.427 1.00 25.00 H new ATOM 0 HE22 GLN A 105 6.249 4.021 -12.969 1.00 25.00 H new ATOM 1654 N GLN A 106 8.632 -2.316 -10.985 1.00 25.00 N ATOM 1655 CA GLN A 106 9.294 -3.128 -12.013 1.00 25.00 C ATOM 1656 C GLN A 106 8.959 -4.619 -11.839 1.00 25.00 C ATOM 1657 O GLN A 106 9.097 -5.408 -12.778 1.00 25.00 O ATOM 1658 CB GLN A 106 10.814 -2.882 -11.968 1.00 25.00 C ATOM 1659 CG GLN A 106 11.236 -1.542 -12.574 1.00 25.00 C ATOM 1660 CD GLN A 106 12.742 -1.339 -12.577 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.360 -1.176 -11.525 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.340 -1.347 -13.764 1.00 25.00 N ATOM 0 H GLN A 106 9.210 -2.140 -10.164 1.00 25.00 H new ATOM 0 HA GLN A 106 8.924 -2.829 -12.994 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.150 -2.925 -10.932 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.320 -3.687 -12.500 1.00 25.00 H new ATOM 0 HG2 GLN A 106 10.865 -1.479 -13.597 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.767 -0.733 -12.014 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.790 -1.485 -14.611 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.349 -1.215 -13.827 1.00 25.00 H new ATOM 1671 N ILE A 107 8.518 -4.983 -10.623 1.00 25.00 N ATOM 1672 CA ILE A 107 8.062 -6.342 -10.301 1.00 25.00 C ATOM 1673 C ILE A 107 6.599 -6.573 -10.752 1.00 25.00 C ATOM 1674 O ILE A 107 6.286 -7.635 -11.298 1.00 25.00 O ATOM 1675 CB ILE A 107 8.226 -6.633 -8.764 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.734 -6.653 -8.386 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.532 -7.941 -8.365 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.054 -6.730 -6.892 1.00 25.00 C ATOM 0 H ILE A 107 8.468 -4.339 -9.834 1.00 25.00 H new ATOM 0 HA ILE A 107 8.690 -7.041 -10.853 1.00 25.00 H new ATOM 0 HB ILE A 107 7.740 -5.832 -8.207 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.200 -7.505 -8.881 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.201 -5.755 -8.791 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.665 -8.112 -7.297 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.468 -7.872 -8.592 1.00 25.00 H new ATOM 0 HG23 ILE A 107 7.969 -8.770 -8.922 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.135 -6.738 -6.751 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.628 -5.865 -6.384 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.627 -7.642 -6.475 1.00 25.00 H new ATOM 1690 N ILE A 108 5.715 -5.585 -10.523 1.00 25.00 N ATOM 1691 CA ILE A 108 4.277 -5.718 -10.863 1.00 25.00 C ATOM 1692 C ILE A 108 4.063 -5.684 -12.379 1.00 25.00 C ATOM 1693 O ILE A 108 3.185 -6.371 -12.899 1.00 25.00 O ATOM 1694 CB ILE A 108 3.400 -4.618 -10.186 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.424 -4.798 -8.668 1.00 25.00 C ATOM 1696 CG2 ILE A 108 1.949 -4.692 -10.686 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.055 -3.564 -7.875 1.00 25.00 C ATOM 0 H ILE A 108 5.964 -4.688 -10.106 1.00 25.00 H new ATOM 0 HA ILE A 108 3.960 -6.686 -10.475 1.00 25.00 H new ATOM 0 HB ILE A 108 3.811 -3.643 -10.448 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.738 -5.602 -8.401 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.422 -5.118 -8.370 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.357 -3.916 -10.201 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.928 -4.542 -11.765 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.531 -5.670 -10.447 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.100 -3.789 -6.809 1.00 25.00 H new ATOM 0 HD12 ILE A 108 3.754 -2.760 -8.106 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.044 -3.252 -8.137 1.00 25.00 H new ATOM 1709 N SER A 109 4.876 -4.877 -13.067 1.00 25.00 N ATOM 1710 CA SER A 109 4.848 -4.782 -14.540 1.00 25.00 C ATOM 1711 C SER A 109 5.205 -6.129 -15.205 1.00 25.00 C ATOM 1712 O SER A 109 4.928 -6.336 -16.391 1.00 25.00 O ATOM 1713 CB SER A 109 5.801 -3.677 -15.007 1.00 25.00 C ATOM 1714 OG SER A 109 7.158 -4.021 -14.768 1.00 25.00 O ATOM 0 H SER A 109 5.570 -4.272 -12.627 1.00 25.00 H new ATOM 0 HA SER A 109 3.832 -4.531 -14.845 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.653 -3.494 -16.071 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.564 -2.748 -14.488 1.00 25.00 H new ATOM 0 HG SER A 109 7.230 -4.495 -13.913 1.00 25.00 H new ATOM 1720 N ARG A 110 5.820 -7.032 -14.422 1.00 25.00 N ATOM 1721 CA ARG A 110 6.083 -8.417 -14.854 1.00 25.00 C ATOM 1722 C ARG A 110 4.821 -9.276 -14.706 1.00 25.00 C ATOM 1723 O ARG A 110 4.497 -10.078 -15.586 1.00 25.00 O ATOM 1724 CB ARG A 110 7.221 -9.042 -14.032 1.00 25.00 C ATOM 1725 CG ARG A 110 7.524 -10.486 -14.392 1.00 25.00 C ATOM 1726 CD ARG A 110 7.979 -10.621 -15.838 1.00 25.00 C ATOM 1727 NE ARG A 110 8.165 -12.024 -16.226 1.00 25.00 N ATOM 1728 CZ ARG A 110 8.235 -12.467 -17.490 1.00 25.00 C ATOM 1729 NH1 ARG A 110 8.140 -11.629 -18.522 1.00 25.00 N ATOM 1730 NH2 ARG A 110 8.400 -13.761 -17.720 1.00 25.00 N ATOM 0 H ARG A 110 6.147 -6.825 -13.478 1.00 25.00 H new ATOM 0 HA ARG A 110 6.379 -8.386 -15.903 1.00 25.00 H new ATOM 0 HB2 ARG A 110 8.124 -8.447 -14.170 1.00 25.00 H new ATOM 0 HB3 ARG A 110 6.963 -8.989 -12.974 1.00 25.00 H new ATOM 0 HG2 ARG A 110 8.299 -10.872 -13.729 1.00 25.00 H new ATOM 0 HG3 ARG A 110 6.635 -11.096 -14.232 1.00 25.00 H new ATOM 0 HD2 ARG A 110 7.243 -10.158 -16.495 1.00 25.00 H new ATOM 0 HD3 ARG A 110 8.915 -10.079 -15.976 1.00 25.00 H new ATOM 0 HE ARG A 110 8.247 -12.714 -15.479 1.00 25.00 H new ATOM 0 HH11 ARG A 110 8.012 -10.630 -18.358 1.00 25.00 H new ATOM 0 HH12 ARG A 110 8.196 -11.986 -19.476 1.00 25.00 H new ATOM 0 HH21 ARG A 110 8.473 -14.413 -16.939 1.00 25.00 H new ATOM 0 HH22 ARG A 110 8.454 -14.106 -18.678 1.00 25.00 H new ATOM 1744 N TYR A 111 4.121 -9.089 -13.576 1.00 25.00 N ATOM 1745 CA TYR A 111 2.826 -9.752 -13.316 1.00 25.00 C ATOM 1746 C TYR A 111 1.669 -9.008 -14.002 1.00 25.00 C ATOM 1747 O TYR A 111 0.506 -9.417 -13.907 1.00 25.00 O ATOM 1748 CB TYR A 111 2.568 -9.853 -11.807 1.00 25.00 C ATOM 1749 CG TYR A 111 3.640 -10.627 -11.064 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.608 -9.969 -10.319 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.689 -12.019 -11.123 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.594 -10.672 -9.657 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.670 -12.725 -10.463 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.585 -12.041 -9.679 1.00 25.00 C ATOM 1755 OH TYR A 111 6.603 -12.746 -9.078 1.00 25.00 O ATOM 0 H TYR A 111 4.431 -8.479 -12.819 1.00 25.00 H new ATOM 0 HA TYR A 111 2.878 -10.757 -13.735 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.500 -8.848 -11.389 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.603 -10.333 -11.642 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.590 -8.891 -10.256 1.00 25.00 H new ATOM 0 HD2 TYR A 111 2.945 -12.553 -11.696 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.370 -10.144 -9.123 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.726 -13.800 -10.555 1.00 25.00 H new ATOM 0 HH TYR A 111 6.950 -13.417 -9.703 1.00 25.00 H new ATOM 1765 N LYS A 112 2.017 -7.921 -14.700 1.00 25.00 N ATOM 1766 CA LYS A 112 1.057 -7.091 -15.424 1.00 25.00 C ATOM 1767 C LYS A 112 0.937 -7.565 -16.878 1.00 25.00 C ATOM 1768 O LYS A 112 -0.130 -7.465 -17.490 1.00 25.00 O ATOM 1769 CB LYS A 112 1.523 -5.630 -15.370 1.00 25.00 C ATOM 1770 CG LYS A 112 0.550 -4.635 -16.002 1.00 25.00 C ATOM 1771 CD LYS A 112 1.057 -3.180 -15.959 1.00 25.00 C ATOM 1772 CE LYS A 112 0.072 -2.163 -16.559 1.00 25.00 C ATOM 1773 NZ LYS A 112 -0.143 -2.367 -18.020 1.00 25.00 N ATOM 0 H LYS A 112 2.980 -7.593 -14.777 1.00 25.00 H new ATOM 0 HA LYS A 112 0.074 -7.175 -14.960 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.684 -5.351 -14.329 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.486 -5.549 -15.875 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.371 -4.920 -17.039 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -0.408 -4.695 -15.485 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.262 -2.907 -14.924 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.002 -3.118 -16.498 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -0.884 -2.239 -16.041 1.00 25.00 H new ATOM 0 HE3 LYS A 112 0.448 -1.154 -16.388 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -0.814 -1.656 -18.375 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 0.763 -2.268 -18.521 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -0.528 -3.319 -18.185 1.00 25.00 H new