USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 955 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 108 HIS :FLIP no HE2:sc= -1.94 F(o=-3.8!,f=-1.9) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= -0.56 USER MOD Set 2.2: A 45 SER OG : rot 112:sc= 0.0192 USER MOD Set 3.1: A 12 CYS SG : rot -160:sc= 0.0914 USER MOD Set 3.2: A 18 HIS : no HD1:sc= -0.497 X(o=-0.62,f=-0.38) USER MOD Set 3.3: A 48 LYS NZ :NH3+ -117:sc= -0.212 (180deg=-1.29!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 5 GLN : amide:sc= 0.535 K(o=0.53,f=-0.037) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= -0.0395 (180deg=-0.0726) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.199 F(o=-2.1,f=-0.2) USER MOD Single : A 10 LYS NZ :NH3+ 142:sc= 0.178 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 31 ASN : amide:sc= -9.86! C(o=-9.9!,f=-16!) USER MOD Single : A 33 HIS : no HE2:sc= -8.33! C(o=-8.3!,f=-11!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -54:sc= -1.76! USER MOD Single : A 38 ASN : amide:sc= -5.86! C(o=-5.9!,f=-6.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.8! C(o=-5.8!,f=-7.6!) USER MOD Single : A 52 GLN :FLIP amide:sc= -3.82 F(o=-6.8!,f=-3.8) USER MOD Single : A 54 SER OG : rot -121:sc= 0.0917 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 64 GLN : amide:sc= -6.66! C(o=-6.7!,f=-7.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= -0.762 (180deg=-0.85) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.179) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc=-0.00407 (180deg=-0.146) USER MOD Single : A 77 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc=-0.00903 (180deg=-0.0297) USER MOD Single : A 82 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 84 CYS SG : rot 160:sc= -0.65 USER MOD Single : A 92 SER OG : rot 29:sc= 0.677 USER MOD Single : A 95 ASN : amide:sc= -1.5! C(o=-1.5!,f=-7.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.135 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.383 F(o=-1.4,f=-0.38) USER MOD Single : A 107 MET CE :methyl 172:sc= 0 (180deg=-0.0176) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 8.784 -13.714 0.167 1.00 0.00 N ATOM 2 CA PHE A 1 8.921 -12.786 -0.993 1.00 0.00 C ATOM 3 C PHE A 1 9.931 -11.681 -0.669 1.00 0.00 C ATOM 4 O PHE A 1 10.793 -11.840 0.173 1.00 0.00 O ATOM 5 CB PHE A 1 7.527 -12.191 -1.192 1.00 0.00 C ATOM 6 CG PHE A 1 7.090 -12.392 -2.622 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.783 -13.676 -3.087 1.00 0.00 C ATOM 8 CD2 PHE A 1 6.990 -11.293 -3.484 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.377 -13.861 -4.415 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.585 -11.477 -4.810 1.00 0.00 C ATOM 11 CZ PHE A 1 6.278 -12.762 -5.276 1.00 0.00 C ATOM 0 H1 PHE A 1 8.097 -14.459 -0.064 1.00 0.00 H new ATOM 0 H2 PHE A 1 9.706 -14.147 0.376 1.00 0.00 H new ATOM 0 H3 PHE A 1 8.453 -13.184 0.998 1.00 0.00 H new ATOM 0 HA PHE A 1 9.280 -13.295 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 1 6.818 -12.666 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 1 7.536 -11.128 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.859 -14.524 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.226 -10.302 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 1 6.140 -14.852 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.509 -10.629 -5.474 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.965 -12.905 -6.300 1.00 0.00 H new ATOM 23 N THR A 2 9.828 -10.562 -1.331 1.00 0.00 N ATOM 24 CA THR A 2 10.774 -9.441 -1.062 1.00 0.00 C ATOM 25 C THR A 2 10.144 -8.115 -1.494 1.00 0.00 C ATOM 26 O THR A 2 10.747 -7.328 -2.197 1.00 0.00 O ATOM 27 CB THR A 2 12.010 -9.749 -1.907 1.00 0.00 C ATOM 28 OG1 THR A 2 12.294 -11.141 -1.840 1.00 0.00 O ATOM 29 CG2 THR A 2 13.203 -8.952 -1.374 1.00 0.00 C ATOM 0 H THR A 2 9.128 -10.374 -2.049 1.00 0.00 H new ATOM 0 HA THR A 2 11.021 -9.351 -0.004 1.00 0.00 H new ATOM 0 HB THR A 2 11.824 -9.469 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.086 -11.340 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.085 -9.171 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.982 -7.886 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.393 -9.231 -0.337 1.00 0.00 H new ATOM 37 N ILE A 3 8.931 -7.866 -1.082 1.00 0.00 N ATOM 38 CA ILE A 3 8.252 -6.597 -1.471 1.00 0.00 C ATOM 39 C ILE A 3 8.738 -5.439 -0.595 1.00 0.00 C ATOM 40 O ILE A 3 8.863 -4.318 -1.048 1.00 0.00 O ATOM 41 CB ILE A 3 6.765 -6.858 -1.232 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.234 -7.806 -2.307 1.00 0.00 C ATOM 43 CG2 ILE A 3 5.998 -5.538 -1.295 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.203 -8.753 -1.687 1.00 0.00 C ATOM 0 H ILE A 3 8.379 -8.488 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 3 8.461 -6.320 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 3 6.630 -7.310 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.779 -7.236 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.055 -8.378 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.938 -5.725 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.375 -4.861 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.133 -5.085 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.824 -9.430 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.673 -9.332 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.378 -8.173 -1.274 1.00 0.00 H new ATOM 56 N ALA A 4 9.013 -5.698 0.654 1.00 0.00 N ATOM 57 CA ALA A 4 9.488 -4.606 1.552 1.00 0.00 C ATOM 58 C ALA A 4 10.262 -5.186 2.737 1.00 0.00 C ATOM 59 O ALA A 4 9.902 -6.207 3.287 1.00 0.00 O ATOM 60 CB ALA A 4 8.214 -3.908 2.035 1.00 0.00 C ATOM 0 H ALA A 4 8.930 -6.616 1.091 1.00 0.00 H new ATOM 0 HA ALA A 4 10.163 -3.920 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.479 -3.089 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.667 -3.515 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.587 -4.623 2.568 1.00 0.00 H new ATOM 66 N GLN A 5 11.322 -4.538 3.136 1.00 0.00 N ATOM 67 CA GLN A 5 12.120 -5.044 4.290 1.00 0.00 C ATOM 68 C GLN A 5 12.889 -3.890 4.939 1.00 0.00 C ATOM 69 O GLN A 5 14.092 -3.946 5.102 1.00 0.00 O ATOM 70 CB GLN A 5 13.087 -6.064 3.688 1.00 0.00 C ATOM 71 CG GLN A 5 12.923 -7.407 4.404 1.00 0.00 C ATOM 72 CD GLN A 5 12.469 -8.469 3.400 1.00 0.00 C ATOM 73 OE1 GLN A 5 13.281 -9.168 2.828 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.195 -8.620 3.161 1.00 0.00 N ATOM 0 H GLN A 5 11.671 -3.678 2.712 1.00 0.00 H new ATOM 0 HA GLN A 5 11.495 -5.488 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.891 -6.182 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.113 -5.710 3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.866 -7.704 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.193 -7.316 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.513 -8.033 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.881 -9.325 2.494 1.00 0.00 H new ATOM 83 N GLY A 6 12.203 -2.844 5.310 1.00 0.00 N ATOM 84 CA GLY A 6 12.892 -1.684 5.947 1.00 0.00 C ATOM 85 C GLY A 6 11.856 -0.648 6.396 1.00 0.00 C ATOM 86 O GLY A 6 12.043 0.041 7.379 1.00 0.00 O ATOM 0 H GLY A 6 11.194 -2.742 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.477 -2.022 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.590 -1.232 5.242 1.00 0.00 H new ATOM 90 N LYS A 7 10.767 -0.530 5.681 1.00 0.00 N ATOM 91 CA LYS A 7 9.720 0.463 6.064 1.00 0.00 C ATOM 92 C LYS A 7 9.528 0.477 7.583 1.00 0.00 C ATOM 93 O LYS A 7 9.164 1.481 8.163 1.00 0.00 O ATOM 94 CB LYS A 7 8.445 -0.022 5.371 1.00 0.00 C ATOM 95 CG LYS A 7 8.606 0.107 3.856 1.00 0.00 C ATOM 96 CD LYS A 7 8.939 1.558 3.502 1.00 0.00 C ATOM 97 CE LYS A 7 10.457 1.727 3.408 1.00 0.00 C ATOM 98 NZ LYS A 7 10.713 3.134 3.825 1.00 0.00 N ATOM 0 H LYS A 7 10.558 -1.079 4.847 1.00 0.00 H new ATOM 0 HA LYS A 7 9.988 1.478 5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.245 -1.059 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.590 0.564 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.398 -0.555 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.688 -0.200 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.473 1.828 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.534 2.230 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.974 1.022 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.813 1.545 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.738 3.297 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.299 3.784 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.281 3.305 4.755 1.00 0.00 H new ATOM 112 N GLY A 8 9.769 -0.630 8.230 1.00 0.00 N ATOM 113 CA GLY A 8 9.600 -0.682 9.709 1.00 0.00 C ATOM 114 C GLY A 8 8.507 -1.692 10.061 1.00 0.00 C ATOM 115 O GLY A 8 8.773 -2.857 10.280 1.00 0.00 O ATOM 0 H GLY A 8 10.076 -1.501 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.539 -0.966 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.336 0.304 10.091 1.00 0.00 H new ATOM 119 N GLN A 9 7.278 -1.255 10.116 1.00 0.00 N ATOM 120 CA GLN A 9 6.169 -2.194 10.451 1.00 0.00 C ATOM 121 C GLN A 9 5.589 -2.804 9.172 1.00 0.00 C ATOM 122 O GLN A 9 4.940 -3.828 9.200 1.00 0.00 O ATOM 123 CB GLN A 9 5.122 -1.335 11.163 1.00 0.00 C ATOM 124 CG GLN A 9 4.540 -0.315 10.182 1.00 0.00 C ATOM 125 CD GLN A 9 4.078 0.924 10.950 1.00 0.00 C ATOM 126 OE1 GLN A 9 3.718 0.808 12.199 1.00 0.00 O flip ATOM 127 NE2 GLN A 9 4.044 2.012 10.408 1.00 0.00 N flip ATOM 0 H GLN A 9 6.994 -0.291 9.944 1.00 0.00 H new ATOM 0 HA GLN A 9 6.503 -3.024 11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.328 -1.967 11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.574 -0.821 12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.290 -0.038 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.702 -0.753 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.325 2.104 9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.734 2.832 10.930 1.00 0.00 H new ATOM 136 N LYS A 10 5.818 -2.185 8.047 1.00 0.00 N ATOM 137 CA LYS A 10 5.276 -2.739 6.773 1.00 0.00 C ATOM 138 C LYS A 10 3.751 -2.859 6.855 1.00 0.00 C ATOM 139 O LYS A 10 3.173 -2.848 7.924 1.00 0.00 O ATOM 140 CB LYS A 10 5.920 -4.121 6.638 1.00 0.00 C ATOM 141 CG LYS A 10 6.359 -4.341 5.188 1.00 0.00 C ATOM 142 CD LYS A 10 7.576 -5.271 5.154 1.00 0.00 C ATOM 143 CE LYS A 10 7.322 -6.483 6.054 1.00 0.00 C ATOM 144 NZ LYS A 10 7.940 -7.634 5.335 1.00 0.00 N ATOM 0 H LYS A 10 6.355 -1.323 7.954 1.00 0.00 H new ATOM 0 HA LYS A 10 5.497 -2.102 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.778 -4.200 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.212 -4.894 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.541 -4.774 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.605 -3.386 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.768 -5.598 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.464 -4.736 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.771 -6.345 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.255 -6.642 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.387 -8.273 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.206 -8.150 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.659 -7.283 4.670 1.00 0.00 H new ATOM 158 N LEU A 11 3.094 -2.970 5.731 1.00 0.00 N ATOM 159 CA LEU A 11 1.606 -3.085 5.738 1.00 0.00 C ATOM 160 C LEU A 11 1.171 -4.450 6.287 1.00 0.00 C ATOM 161 O LEU A 11 0.001 -4.696 6.502 1.00 0.00 O ATOM 162 CB LEU A 11 1.198 -2.952 4.268 1.00 0.00 C ATOM 163 CG LEU A 11 1.211 -1.478 3.855 1.00 0.00 C ATOM 164 CD1 LEU A 11 1.010 -1.373 2.341 1.00 0.00 C ATOM 165 CD2 LEU A 11 0.083 -0.735 4.572 1.00 0.00 C ATOM 0 H LEU A 11 3.524 -2.986 4.806 1.00 0.00 H new ATOM 0 HA LEU A 11 1.140 -2.329 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.882 -3.521 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.203 -3.372 4.118 1.00 0.00 H new ATOM 0 HG LEU A 11 2.168 -1.033 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.019 -0.324 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.815 -1.901 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.053 -1.819 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.093 0.314 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.875 -1.179 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.225 -0.810 5.650 1.00 0.00 H new ATOM 177 N CYS A 12 2.098 -5.343 6.499 1.00 0.00 N ATOM 178 CA CYS A 12 1.730 -6.696 7.015 1.00 0.00 C ATOM 179 C CYS A 12 1.771 -6.733 8.546 1.00 0.00 C ATOM 180 O CYS A 12 0.866 -7.234 9.183 1.00 0.00 O ATOM 181 CB CYS A 12 2.775 -7.641 6.418 1.00 0.00 C ATOM 182 SG CYS A 12 2.707 -9.241 7.260 1.00 0.00 S ATOM 0 H CYS A 12 3.094 -5.196 6.338 1.00 0.00 H new ATOM 0 HA CYS A 12 0.715 -6.976 6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.592 -7.773 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.770 -7.208 6.520 1.00 0.00 H new ATOM 0 HG CYS A 12 3.823 -9.880 7.069 1.00 0.00 H new ATOM 188 N GLU A 13 2.805 -6.212 9.149 1.00 0.00 N ATOM 189 CA GLU A 13 2.869 -6.238 10.638 1.00 0.00 C ATOM 190 C GLU A 13 1.607 -5.599 11.216 1.00 0.00 C ATOM 191 O GLU A 13 0.981 -6.136 12.108 1.00 0.00 O ATOM 192 CB GLU A 13 4.109 -5.427 11.013 1.00 0.00 C ATOM 193 CG GLU A 13 4.587 -5.847 12.404 1.00 0.00 C ATOM 194 CD GLU A 13 4.992 -4.608 13.204 1.00 0.00 C ATOM 195 OE1 GLU A 13 4.330 -3.593 13.063 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.959 -4.694 13.943 1.00 0.00 O ATOM 0 H GLU A 13 3.599 -5.774 8.682 1.00 0.00 H new ATOM 0 HA GLU A 13 2.929 -7.252 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.899 -5.590 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.878 -4.362 11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.795 -6.385 12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.433 -6.529 12.318 1.00 0.00 H new ATOM 203 N ILE A 14 1.220 -4.462 10.707 1.00 0.00 N ATOM 204 CA ILE A 14 -0.012 -3.806 11.224 1.00 0.00 C ATOM 205 C ILE A 14 -1.238 -4.642 10.834 1.00 0.00 C ATOM 206 O ILE A 14 -1.567 -4.786 9.674 1.00 0.00 O ATOM 207 CB ILE A 14 -0.035 -2.419 10.572 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.062 -2.546 9.045 1.00 0.00 C ATOM 209 CG2 ILE A 14 1.218 -1.648 10.989 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.028 -1.149 8.425 1.00 0.00 C ATOM 0 H ILE A 14 1.701 -3.962 9.960 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.026 -3.721 12.311 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.930 -1.889 10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.791 -3.131 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.960 -3.076 8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.208 -0.660 10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.236 -1.542 12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.105 -2.191 10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.047 -1.233 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.896 -0.581 8.760 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.883 -0.636 8.734 1.00 0.00 H new ATOM 222 N GLU A 15 -1.899 -5.216 11.801 1.00 0.00 N ATOM 223 CA GLU A 15 -3.089 -6.069 11.502 1.00 0.00 C ATOM 224 C GLU A 15 -4.267 -5.222 11.012 1.00 0.00 C ATOM 225 O GLU A 15 -5.075 -5.673 10.225 1.00 0.00 O ATOM 226 CB GLU A 15 -3.429 -6.744 12.831 1.00 0.00 C ATOM 227 CG GLU A 15 -3.831 -8.198 12.576 1.00 0.00 C ATOM 228 CD GLU A 15 -2.648 -9.117 12.887 1.00 0.00 C ATOM 229 OE1 GLU A 15 -1.545 -8.610 13.011 1.00 0.00 O ATOM 230 OE2 GLU A 15 -2.864 -10.314 12.996 1.00 0.00 O ATOM 0 H GLU A 15 -1.667 -5.132 12.791 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.883 -6.790 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.570 -6.705 13.501 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.242 -6.212 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.685 -8.465 13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.140 -8.324 11.538 1.00 0.00 H new ATOM 237 N ARG A 16 -4.378 -4.006 11.474 1.00 0.00 N ATOM 238 CA ARG A 16 -5.514 -3.139 11.036 1.00 0.00 C ATOM 239 C ARG A 16 -5.786 -3.321 9.538 1.00 0.00 C ATOM 240 O ARG A 16 -6.782 -3.897 9.144 1.00 0.00 O ATOM 241 CB ARG A 16 -5.057 -1.709 11.325 1.00 0.00 C ATOM 242 CG ARG A 16 -4.598 -1.602 12.782 1.00 0.00 C ATOM 243 CD ARG A 16 -5.127 -0.301 13.389 1.00 0.00 C ATOM 244 NE ARG A 16 -6.390 -0.683 14.081 1.00 0.00 N ATOM 245 CZ ARG A 16 -6.453 -0.661 15.385 1.00 0.00 C ATOM 246 NH1 ARG A 16 -6.126 -1.721 16.073 1.00 0.00 N ATOM 247 NH2 ARG A 16 -6.846 0.419 16.002 1.00 0.00 N ATOM 0 H ARG A 16 -3.733 -3.574 12.135 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.439 -3.387 11.556 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.242 -1.434 10.655 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.873 -1.011 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.962 -2.456 13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.509 -1.624 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.409 0.129 14.087 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.310 0.448 12.619 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.206 -0.962 13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.821 -2.567 15.592 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.175 -1.703 17.092 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.104 1.247 15.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.895 0.435 17.021 1.00 0.00 H new ATOM 261 N ILE A 17 -4.909 -2.840 8.701 1.00 0.00 N ATOM 262 CA ILE A 17 -5.126 -2.992 7.234 1.00 0.00 C ATOM 263 C ILE A 17 -5.170 -4.478 6.867 1.00 0.00 C ATOM 264 O ILE A 17 -5.946 -4.901 6.033 1.00 0.00 O ATOM 265 CB ILE A 17 -3.929 -2.305 6.573 1.00 0.00 C ATOM 266 CG1 ILE A 17 -2.695 -3.194 6.720 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.668 -0.956 7.248 1.00 0.00 C ATOM 268 CD1 ILE A 17 -1.480 -2.499 6.102 1.00 0.00 C ATOM 0 H ILE A 17 -4.055 -2.350 8.967 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.068 -2.552 6.907 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.143 -2.142 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.509 -3.403 7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.865 -4.153 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.815 -0.471 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.549 -0.322 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.454 -1.113 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.603 -3.137 6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.666 -2.313 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.304 -1.552 6.612 1.00 0.00 H new ATOM 280 N HIS A 18 -4.340 -5.270 7.487 1.00 0.00 N ATOM 281 CA HIS A 18 -4.330 -6.728 7.183 1.00 0.00 C ATOM 282 C HIS A 18 -5.737 -7.310 7.341 1.00 0.00 C ATOM 283 O HIS A 18 -6.134 -8.204 6.622 1.00 0.00 O ATOM 284 CB HIS A 18 -3.377 -7.337 8.213 1.00 0.00 C ATOM 285 CG HIS A 18 -2.480 -8.338 7.538 1.00 0.00 C ATOM 286 ND1 HIS A 18 -1.796 -9.312 8.246 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.145 -8.526 6.221 1.00 0.00 C ATOM 288 CE1 HIS A 18 -1.091 -10.038 7.358 1.00 0.00 C ATOM 289 NE2 HIS A 18 -1.268 -9.600 6.109 1.00 0.00 N ATOM 0 H HIS A 18 -3.667 -4.970 8.192 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.014 -6.937 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.779 -6.553 8.679 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.945 -7.820 9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.507 -7.930 5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.459 -10.873 7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.850 -9.973 5.256 1.00 0.00 H new ATOM 297 N PHE A 19 -6.493 -6.807 8.279 1.00 0.00 N ATOM 298 CA PHE A 19 -7.875 -7.328 8.488 1.00 0.00 C ATOM 299 C PHE A 19 -8.807 -6.812 7.383 1.00 0.00 C ATOM 300 O PHE A 19 -9.293 -7.567 6.565 1.00 0.00 O ATOM 301 CB PHE A 19 -8.292 -6.786 9.862 1.00 0.00 C ATOM 302 CG PHE A 19 -9.798 -6.674 9.942 1.00 0.00 C ATOM 303 CD1 PHE A 19 -10.602 -7.662 9.364 1.00 0.00 C ATOM 304 CD2 PHE A 19 -10.386 -5.579 10.585 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.995 -7.556 9.428 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.781 -5.473 10.651 1.00 0.00 C ATOM 307 CZ PHE A 19 -12.585 -6.462 10.072 1.00 0.00 C ATOM 0 H PHE A 19 -6.213 -6.057 8.911 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.925 -8.416 8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.927 -7.447 10.648 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.838 -5.809 10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.147 -8.507 8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.764 -4.816 11.030 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.616 -8.318 8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.236 -4.629 11.148 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.661 -6.381 10.122 1.00 0.00 H new ATOM 317 N PHE A 20 -9.065 -5.532 7.359 1.00 0.00 N ATOM 318 CA PHE A 20 -9.973 -4.972 6.313 1.00 0.00 C ATOM 319 C PHE A 20 -9.599 -5.517 4.931 1.00 0.00 C ATOM 320 O PHE A 20 -10.403 -5.526 4.020 1.00 0.00 O ATOM 321 CB PHE A 20 -9.762 -3.459 6.366 1.00 0.00 C ATOM 322 CG PHE A 20 -11.091 -2.770 6.565 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.959 -2.593 5.479 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.456 -2.306 7.834 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.190 -1.953 5.663 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.688 -1.666 8.019 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.555 -1.489 6.933 1.00 0.00 C ATOM 0 H PHE A 20 -8.688 -4.850 8.017 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.014 -5.245 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.083 -3.204 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.296 -3.114 5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.678 -2.951 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.787 -2.442 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.858 -1.817 4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.970 -1.309 8.999 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.505 -0.995 7.075 1.00 0.00 H new ATOM 337 N LEU A 21 -8.384 -5.962 4.765 1.00 0.00 N ATOM 338 CA LEU A 21 -7.963 -6.497 3.437 1.00 0.00 C ATOM 339 C LEU A 21 -8.283 -7.991 3.336 1.00 0.00 C ATOM 340 O LEU A 21 -8.511 -8.512 2.263 1.00 0.00 O ATOM 341 CB LEU A 21 -6.450 -6.267 3.378 1.00 0.00 C ATOM 342 CG LEU A 21 -6.151 -4.949 2.656 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.864 -4.929 1.304 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.643 -3.774 3.506 1.00 0.00 C ATOM 0 H LEU A 21 -7.665 -5.979 5.489 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.484 -6.008 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.038 -6.241 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.968 -7.094 2.858 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.076 -4.862 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.649 -3.990 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.513 -5.762 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.939 -5.020 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.429 -2.838 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.718 -3.864 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.133 -3.783 4.469 1.00 0.00 H new ATOM 356 N SER A 22 -8.298 -8.683 4.445 1.00 0.00 N ATOM 357 CA SER A 22 -8.599 -10.146 4.416 1.00 0.00 C ATOM 358 C SER A 22 -9.708 -10.448 3.403 1.00 0.00 C ATOM 359 O SER A 22 -9.747 -11.506 2.808 1.00 0.00 O ATOM 360 CB SER A 22 -9.067 -10.479 5.833 1.00 0.00 C ATOM 361 OG SER A 22 -8.335 -11.595 6.318 1.00 0.00 O ATOM 0 H SER A 22 -8.115 -8.298 5.372 1.00 0.00 H new ATOM 0 HA SER A 22 -7.733 -10.736 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.920 -9.620 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.134 -10.701 5.833 1.00 0.00 H new ATOM 0 HG SER A 22 -8.631 -11.810 7.227 1.00 0.00 H new ATOM 367 N LYS A 23 -10.608 -9.525 3.200 1.00 0.00 N ATOM 368 CA LYS A 23 -11.710 -9.764 2.223 1.00 0.00 C ATOM 369 C LYS A 23 -11.297 -9.273 0.833 1.00 0.00 C ATOM 370 O LYS A 23 -12.061 -8.632 0.139 1.00 0.00 O ATOM 371 CB LYS A 23 -12.890 -8.952 2.754 1.00 0.00 C ATOM 372 CG LYS A 23 -13.355 -9.544 4.086 1.00 0.00 C ATOM 373 CD LYS A 23 -14.195 -8.512 4.840 1.00 0.00 C ATOM 374 CE LYS A 23 -14.105 -8.782 6.343 1.00 0.00 C ATOM 375 NZ LYS A 23 -14.905 -10.020 6.562 1.00 0.00 N ATOM 0 H LYS A 23 -10.629 -8.618 3.666 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.956 -10.821 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.598 -7.910 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.707 -8.963 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.941 -10.446 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.493 -9.836 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.839 -7.506 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.233 -8.563 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.071 -8.920 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.505 -7.947 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.062 -10.156 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.822 -9.931 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.390 -10.838 6.178 1.00 0.00 H new ATOM 389 N LYS A 24 -10.093 -9.568 0.424 1.00 0.00 N ATOM 390 CA LYS A 24 -9.628 -9.119 -0.921 1.00 0.00 C ATOM 391 C LYS A 24 -10.707 -9.384 -1.973 1.00 0.00 C ATOM 392 O LYS A 24 -11.337 -10.424 -1.983 1.00 0.00 O ATOM 393 CB LYS A 24 -8.381 -9.959 -1.208 1.00 0.00 C ATOM 394 CG LYS A 24 -8.741 -11.446 -1.146 1.00 0.00 C ATOM 395 CD LYS A 24 -8.559 -12.076 -2.529 1.00 0.00 C ATOM 396 CE LYS A 24 -9.544 -13.237 -2.695 1.00 0.00 C ATOM 397 NZ LYS A 24 -10.221 -12.980 -3.996 1.00 0.00 N ATOM 0 H LYS A 24 -9.410 -10.101 0.963 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.417 -8.050 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.981 -9.711 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.601 -9.732 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.108 -11.954 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.772 -11.568 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.726 -11.329 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.536 -12.434 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.027 -14.196 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.262 -13.267 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.913 -13.734 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.710 -12.063 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.514 -12.964 -4.758 1.00 0.00 H new ATOM 411 N LYS A 25 -10.924 -8.453 -2.862 1.00 0.00 N ATOM 412 CA LYS A 25 -11.960 -8.655 -3.915 1.00 0.00 C ATOM 413 C LYS A 25 -11.376 -8.337 -5.294 1.00 0.00 C ATOM 414 O LYS A 25 -10.598 -7.418 -5.453 1.00 0.00 O ATOM 415 CB LYS A 25 -13.085 -7.679 -3.561 1.00 0.00 C ATOM 416 CG LYS A 25 -14.278 -8.464 -3.012 1.00 0.00 C ATOM 417 CD LYS A 25 -14.621 -7.965 -1.606 1.00 0.00 C ATOM 418 CE LYS A 25 -15.669 -8.889 -0.980 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.426 -8.025 -0.030 1.00 0.00 N ATOM 0 H LYS A 25 -10.429 -7.562 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.318 -9.684 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.738 -6.958 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.382 -7.112 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.138 -8.345 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.043 -9.528 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.724 -7.943 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.001 -6.945 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.327 -9.311 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.199 -9.726 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.164 -8.588 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.775 -7.642 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.868 -7.241 -0.551 1.00 0.00 H new ATOM 433 N THR A 26 -11.743 -9.096 -6.292 1.00 0.00 N ATOM 434 CA THR A 26 -11.203 -8.850 -7.661 1.00 0.00 C ATOM 435 C THR A 26 -11.294 -7.365 -8.017 1.00 0.00 C ATOM 436 O THR A 26 -10.354 -6.783 -8.523 1.00 0.00 O ATOM 437 CB THR A 26 -12.094 -9.679 -8.589 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.436 -9.225 -8.483 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.018 -11.153 -8.190 1.00 0.00 C ATOM 0 H THR A 26 -12.395 -9.877 -6.218 1.00 0.00 H new ATOM 0 HA THR A 26 -10.152 -9.127 -7.743 1.00 0.00 H new ATOM 0 HB THR A 26 -11.752 -9.567 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.008 -9.753 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.653 -11.742 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.988 -11.500 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.359 -11.270 -7.161 1.00 0.00 H new ATOM 447 N ASP A 27 -12.409 -6.742 -7.753 1.00 0.00 N ATOM 448 CA ASP A 27 -12.536 -5.294 -8.076 1.00 0.00 C ATOM 449 C ASP A 27 -11.392 -4.525 -7.415 1.00 0.00 C ATOM 450 O ASP A 27 -10.621 -3.845 -8.067 1.00 0.00 O ATOM 451 CB ASP A 27 -13.882 -4.870 -7.487 1.00 0.00 C ATOM 452 CG ASP A 27 -14.761 -4.279 -8.592 1.00 0.00 C ATOM 453 OD1 ASP A 27 -14.217 -3.904 -9.616 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.963 -4.212 -8.393 1.00 0.00 O ATOM 0 H ASP A 27 -13.233 -7.170 -7.330 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.488 -5.095 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.378 -5.728 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.730 -4.135 -6.697 1.00 0.00 H new ATOM 459 N GLU A 28 -11.274 -4.640 -6.122 1.00 0.00 N ATOM 460 CA GLU A 28 -10.181 -3.931 -5.404 1.00 0.00 C ATOM 461 C GLU A 28 -8.829 -4.549 -5.770 1.00 0.00 C ATOM 462 O GLU A 28 -7.899 -3.862 -6.142 1.00 0.00 O ATOM 463 CB GLU A 28 -10.484 -4.146 -3.923 1.00 0.00 C ATOM 464 CG GLU A 28 -11.388 -3.019 -3.418 1.00 0.00 C ATOM 465 CD GLU A 28 -12.788 -3.573 -3.145 1.00 0.00 C ATOM 466 OE1 GLU A 28 -12.945 -4.270 -2.156 1.00 0.00 O ATOM 467 OE2 GLU A 28 -13.679 -3.292 -3.931 1.00 0.00 O ATOM 0 H GLU A 28 -11.890 -5.197 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.129 -2.873 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.971 -5.110 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.557 -4.167 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.973 -2.585 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.439 -2.220 -4.158 1.00 0.00 H new ATOM 474 N LEU A 29 -8.717 -5.845 -5.663 1.00 0.00 N ATOM 475 CA LEU A 29 -7.430 -6.520 -5.999 1.00 0.00 C ATOM 476 C LEU A 29 -7.006 -6.173 -7.429 1.00 0.00 C ATOM 477 O LEU A 29 -5.843 -6.242 -7.776 1.00 0.00 O ATOM 478 CB LEU A 29 -7.732 -8.015 -5.884 1.00 0.00 C ATOM 479 CG LEU A 29 -6.608 -8.715 -5.121 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.256 -8.317 -5.718 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.657 -8.302 -3.648 1.00 0.00 C ATOM 0 H LEU A 29 -9.464 -6.468 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.617 -6.211 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.681 -8.165 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.836 -8.451 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.735 -9.795 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.456 -8.817 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.220 -8.613 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.128 -7.237 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.855 -8.801 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.532 -7.222 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.618 -8.588 -3.222 1.00 0.00 H new ATOM 493 N ARG A 30 -7.940 -5.810 -8.263 1.00 0.00 N ATOM 494 CA ARG A 30 -7.592 -5.470 -9.672 1.00 0.00 C ATOM 495 C ARG A 30 -6.946 -4.083 -9.753 1.00 0.00 C ATOM 496 O ARG A 30 -5.775 -3.951 -10.047 1.00 0.00 O ATOM 497 CB ARG A 30 -8.924 -5.482 -10.422 1.00 0.00 C ATOM 498 CG ARG A 30 -8.748 -4.812 -11.785 1.00 0.00 C ATOM 499 CD ARG A 30 -10.062 -4.885 -12.565 1.00 0.00 C ATOM 500 NE ARG A 30 -9.966 -3.799 -13.579 1.00 0.00 N ATOM 501 CZ ARG A 30 -10.397 -3.999 -14.794 1.00 0.00 C ATOM 502 NH1 ARG A 30 -11.496 -4.675 -14.993 1.00 0.00 N ATOM 503 NH2 ARG A 30 -9.731 -3.523 -15.810 1.00 0.00 N ATOM 0 H ARG A 30 -8.930 -5.734 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.874 -6.173 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.272 -6.507 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.684 -4.958 -9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.448 -3.772 -11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.953 -5.305 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.186 -5.859 -13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.920 -4.738 -11.909 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.563 -2.898 -13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.017 -5.046 -14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.833 -4.832 -15.943 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.873 -2.994 -15.655 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.069 -3.680 -16.760 1.00 0.00 H new ATOM 517 N ASN A 31 -7.703 -3.048 -9.505 1.00 0.00 N ATOM 518 CA ASN A 31 -7.130 -1.670 -9.584 1.00 0.00 C ATOM 519 C ASN A 31 -5.867 -1.555 -8.718 1.00 0.00 C ATOM 520 O ASN A 31 -4.907 -0.908 -9.087 1.00 0.00 O ATOM 521 CB ASN A 31 -8.239 -0.751 -9.060 1.00 0.00 C ATOM 522 CG ASN A 31 -8.218 -0.721 -7.529 1.00 0.00 C ATOM 523 OD1 ASN A 31 -7.559 0.109 -6.936 1.00 0.00 O ATOM 524 ND2 ASN A 31 -8.914 -1.597 -6.860 1.00 0.00 N ATOM 0 H ASN A 31 -8.690 -3.095 -9.252 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.829 -1.408 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.103 0.257 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.209 -1.102 -9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.905 -1.585 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.468 -2.295 -7.356 1.00 0.00 H new ATOM 531 N LEU A 32 -5.867 -2.167 -7.566 1.00 0.00 N ATOM 532 CA LEU A 32 -4.675 -2.083 -6.673 1.00 0.00 C ATOM 533 C LEU A 32 -3.518 -2.921 -7.226 1.00 0.00 C ATOM 534 O LEU A 32 -2.520 -2.397 -7.680 1.00 0.00 O ATOM 535 CB LEU A 32 -5.146 -2.651 -5.335 1.00 0.00 C ATOM 536 CG LEU A 32 -6.107 -1.667 -4.668 1.00 0.00 C ATOM 537 CD1 LEU A 32 -7.052 -2.427 -3.735 1.00 0.00 C ATOM 538 CD2 LEU A 32 -5.306 -0.646 -3.856 1.00 0.00 C ATOM 0 H LEU A 32 -6.642 -2.723 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.306 -1.061 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.641 -3.610 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.290 -2.835 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.688 -1.152 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.737 -1.725 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.622 -3.157 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.471 -2.942 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.989 0.057 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.726 -1.163 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.631 -0.103 -4.518 1.00 0.00 H new ATOM 550 N HIS A 33 -3.640 -4.218 -7.178 1.00 0.00 N ATOM 551 CA HIS A 33 -2.546 -5.097 -7.684 1.00 0.00 C ATOM 552 C HIS A 33 -2.158 -4.726 -9.118 1.00 0.00 C ATOM 553 O HIS A 33 -1.066 -5.015 -9.566 1.00 0.00 O ATOM 554 CB HIS A 33 -3.121 -6.511 -7.641 1.00 0.00 C ATOM 555 CG HIS A 33 -2.028 -7.483 -7.294 1.00 0.00 C ATOM 556 ND1 HIS A 33 -0.924 -7.676 -8.110 1.00 0.00 N ATOM 557 CD2 HIS A 33 -1.851 -8.321 -6.221 1.00 0.00 C ATOM 558 CE1 HIS A 33 -0.140 -8.596 -7.520 1.00 0.00 C ATOM 559 NE2 HIS A 33 -0.658 -9.022 -6.365 1.00 0.00 N ATOM 0 H HIS A 33 -4.453 -4.710 -6.809 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.642 -4.997 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.921 -6.568 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.558 -6.767 -8.606 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.740 -7.206 -8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.534 -8.421 -5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.795 -8.948 -7.930 1.00 0.00 H new ATOM 567 N LYS A 34 -3.039 -4.102 -9.849 1.00 0.00 N ATOM 568 CA LYS A 34 -2.700 -3.738 -11.251 1.00 0.00 C ATOM 569 C LYS A 34 -1.788 -2.510 -11.282 1.00 0.00 C ATOM 570 O LYS A 34 -0.947 -2.373 -12.147 1.00 0.00 O ATOM 571 CB LYS A 34 -4.041 -3.435 -11.920 1.00 0.00 C ATOM 572 CG LYS A 34 -3.797 -2.899 -13.330 1.00 0.00 C ATOM 573 CD LYS A 34 -4.078 -1.397 -13.357 1.00 0.00 C ATOM 574 CE LYS A 34 -2.753 -0.634 -13.397 1.00 0.00 C ATOM 575 NZ LYS A 34 -2.991 0.500 -14.332 1.00 0.00 N ATOM 0 H LYS A 34 -3.972 -3.830 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.163 -4.536 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.650 -4.338 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.596 -2.704 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.768 -3.093 -13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.441 -3.414 -14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.682 -1.144 -14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.651 -1.107 -12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.473 -0.277 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.941 -1.271 -13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.126 1.071 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.249 0.129 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.765 1.093 -13.969 1.00 0.00 H new ATOM 589 N LEU A 35 -1.938 -1.620 -10.342 1.00 0.00 N ATOM 590 CA LEU A 35 -1.067 -0.411 -10.323 1.00 0.00 C ATOM 591 C LEU A 35 -0.067 -0.511 -9.170 1.00 0.00 C ATOM 592 O LEU A 35 1.127 -0.384 -9.355 1.00 0.00 O ATOM 593 CB LEU A 35 -2.017 0.767 -10.105 1.00 0.00 C ATOM 594 CG LEU A 35 -1.201 2.038 -9.874 1.00 0.00 C ATOM 595 CD1 LEU A 35 -1.179 2.873 -11.155 1.00 0.00 C ATOM 596 CD2 LEU A 35 -1.838 2.853 -8.747 1.00 0.00 C ATOM 0 H LEU A 35 -2.623 -1.676 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.492 -0.300 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.666 0.891 -10.972 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.662 0.575 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.181 1.769 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.597 3.779 -10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.726 2.293 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.198 3.142 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.257 3.760 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.858 3.121 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.854 2.260 -7.833 1.00 0.00 H new ATOM 608 N LEU A 36 -0.550 -0.737 -7.981 1.00 0.00 N ATOM 609 CA LEU A 36 0.364 -0.847 -6.809 1.00 0.00 C ATOM 610 C LEU A 36 1.353 -1.999 -7.009 1.00 0.00 C ATOM 611 O LEU A 36 2.552 -1.819 -6.937 1.00 0.00 O ATOM 612 CB LEU A 36 -0.550 -1.123 -5.616 1.00 0.00 C ATOM 613 CG LEU A 36 0.195 -0.806 -4.319 1.00 0.00 C ATOM 614 CD1 LEU A 36 0.181 0.706 -4.079 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.493 -1.513 -3.149 1.00 0.00 C ATOM 0 H LEU A 36 -1.541 -0.851 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 36 0.958 0.055 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.452 -0.516 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.867 -2.166 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 36 1.225 -1.153 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.712 0.933 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.670 1.211 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.849 1.052 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.038 -1.287 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.523 -1.167 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.484 -2.590 -3.319 1.00 0.00 H new ATOM 627 N TYR A 37 0.860 -3.185 -7.248 1.00 0.00 N ATOM 628 CA TYR A 37 1.777 -4.345 -7.436 1.00 0.00 C ATOM 629 C TYR A 37 1.984 -4.631 -8.927 1.00 0.00 C ATOM 630 O TYR A 37 2.736 -5.512 -9.294 1.00 0.00 O ATOM 631 CB TYR A 37 1.070 -5.517 -6.755 1.00 0.00 C ATOM 632 CG TYR A 37 0.721 -5.133 -5.337 1.00 0.00 C ATOM 633 CD1 TYR A 37 1.652 -4.446 -4.549 1.00 0.00 C ATOM 634 CD2 TYR A 37 -0.535 -5.460 -4.812 1.00 0.00 C ATOM 635 CE1 TYR A 37 1.328 -4.088 -3.235 1.00 0.00 C ATOM 636 CE2 TYR A 37 -0.859 -5.102 -3.498 1.00 0.00 C ATOM 637 CZ TYR A 37 0.073 -4.416 -2.710 1.00 0.00 C ATOM 638 OH TYR A 37 -0.247 -4.061 -1.415 1.00 0.00 O ATOM 0 H TYR A 37 -0.134 -3.400 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 37 2.765 -4.161 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.167 -5.781 -7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.714 -6.396 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.620 -4.192 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.254 -5.988 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.046 -3.559 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.827 -5.355 -3.092 1.00 0.00 H new ATOM 0 HH TYR A 37 0.441 -4.398 -0.804 1.00 0.00 H new ATOM 648 N ASN A 38 1.324 -3.891 -9.781 1.00 0.00 N ATOM 649 CA ASN A 38 1.476 -4.110 -11.254 1.00 0.00 C ATOM 650 C ASN A 38 1.625 -5.602 -11.567 1.00 0.00 C ATOM 651 O ASN A 38 2.529 -6.011 -12.268 1.00 0.00 O ATOM 652 CB ASN A 38 2.744 -3.347 -11.644 1.00 0.00 C ATOM 653 CG ASN A 38 3.946 -3.921 -10.892 1.00 0.00 C ATOM 654 OD1 ASN A 38 4.208 -3.548 -9.766 1.00 0.00 O ATOM 655 ND2 ASN A 38 4.694 -4.820 -11.471 1.00 0.00 N ATOM 0 H ASN A 38 0.683 -3.141 -9.522 1.00 0.00 H new ATOM 0 HA ASN A 38 0.605 -3.762 -11.809 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.907 -3.420 -12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.629 -2.289 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.498 -5.209 -10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.475 -5.134 -12.416 1.00 0.00 H new ATOM 662 N ARG A 39 0.743 -6.415 -11.055 1.00 0.00 N ATOM 663 CA ARG A 39 0.834 -7.880 -11.325 1.00 0.00 C ATOM 664 C ARG A 39 -0.567 -8.479 -11.475 1.00 0.00 C ATOM 665 O ARG A 39 -1.558 -7.806 -11.265 1.00 0.00 O ATOM 666 CB ARG A 39 1.538 -8.465 -10.101 1.00 0.00 C ATOM 667 CG ARG A 39 2.962 -8.876 -10.478 1.00 0.00 C ATOM 668 CD ARG A 39 3.946 -8.287 -9.466 1.00 0.00 C ATOM 669 NE ARG A 39 4.253 -9.407 -8.534 1.00 0.00 N ATOM 670 CZ ARG A 39 5.485 -9.629 -8.168 1.00 0.00 C ATOM 671 NH1 ARG A 39 6.306 -8.630 -8.001 1.00 0.00 N ATOM 672 NH2 ARG A 39 5.896 -10.853 -7.971 1.00 0.00 N ATOM 0 H ARG A 39 -0.036 -6.130 -10.462 1.00 0.00 H new ATOM 0 HA ARG A 39 1.372 -8.097 -12.248 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.561 -7.730 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.986 -9.328 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.046 -9.963 -10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.200 -8.523 -11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.848 -7.924 -9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.509 -7.441 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 39 3.501 -10.000 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.985 -7.674 -8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.269 -8.804 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.254 -11.634 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.859 -11.028 -7.685 1.00 0.00 H new ATOM 686 N PRO A 40 -0.599 -9.733 -11.832 1.00 0.00 N ATOM 687 CA PRO A 40 -1.888 -10.444 -12.013 1.00 0.00 C ATOM 688 C PRO A 40 -2.535 -10.732 -10.654 1.00 0.00 C ATOM 689 O PRO A 40 -3.737 -10.869 -10.545 1.00 0.00 O ATOM 690 CB PRO A 40 -1.485 -11.742 -12.707 1.00 0.00 C ATOM 691 CG PRO A 40 -0.056 -11.959 -12.323 1.00 0.00 C ATOM 692 CD PRO A 40 0.553 -10.599 -12.100 1.00 0.00 C ATOM 0 HA PRO A 40 -2.619 -9.869 -12.582 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.111 -12.573 -12.383 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.595 -11.662 -13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.013 -12.565 -11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.477 -12.496 -13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.250 -10.607 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.110 -10.263 -12.975 1.00 0.00 H new ATOM 700 N GLY A 41 -1.747 -10.821 -9.617 1.00 0.00 N ATOM 701 CA GLY A 41 -2.319 -11.097 -8.269 1.00 0.00 C ATOM 702 C GLY A 41 -2.258 -12.598 -7.975 1.00 0.00 C ATOM 703 O GLY A 41 -2.878 -13.398 -8.647 1.00 0.00 O ATOM 0 H GLY A 41 -0.733 -10.715 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.765 -10.546 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.351 -10.750 -8.224 1.00 0.00 H new ATOM 707 N THR A 42 -1.523 -12.983 -6.968 1.00 0.00 N ATOM 708 CA THR A 42 -1.428 -14.428 -6.615 1.00 0.00 C ATOM 709 C THR A 42 -1.615 -14.602 -5.106 1.00 0.00 C ATOM 710 O THR A 42 -1.337 -13.707 -4.337 1.00 0.00 O ATOM 711 CB THR A 42 -0.021 -14.849 -7.038 1.00 0.00 C ATOM 712 OG1 THR A 42 0.891 -13.794 -6.764 1.00 0.00 O ATOM 713 CG2 THR A 42 -0.010 -15.160 -8.536 1.00 0.00 C ATOM 0 H THR A 42 -0.982 -12.356 -6.372 1.00 0.00 H new ATOM 0 HA THR A 42 -2.192 -15.031 -7.106 1.00 0.00 H new ATOM 0 HB THR A 42 0.276 -15.738 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.794 -14.064 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.993 -15.460 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.709 -15.970 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.306 -14.272 -9.094 1.00 0.00 H new ATOM 721 N VAL A 43 -2.088 -15.739 -4.679 1.00 0.00 N ATOM 722 CA VAL A 43 -2.299 -15.962 -3.217 1.00 0.00 C ATOM 723 C VAL A 43 -1.146 -15.358 -2.405 1.00 0.00 C ATOM 724 O VAL A 43 -1.358 -14.630 -1.453 1.00 0.00 O ATOM 725 CB VAL A 43 -2.331 -17.481 -3.052 1.00 0.00 C ATOM 726 CG1 VAL A 43 -2.494 -17.832 -1.571 1.00 0.00 C ATOM 727 CG2 VAL A 43 -3.508 -18.054 -3.843 1.00 0.00 C ATOM 0 H VAL A 43 -2.339 -16.526 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.213 -15.489 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.399 -17.906 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.517 -18.915 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.656 -17.424 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.425 -17.407 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.532 -19.137 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.439 -17.628 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.393 -17.805 -4.898 1.00 0.00 H new ATOM 737 N SER A 44 0.069 -15.657 -2.774 1.00 0.00 N ATOM 738 CA SER A 44 1.240 -15.108 -2.026 1.00 0.00 C ATOM 739 C SER A 44 1.264 -13.578 -2.108 1.00 0.00 C ATOM 740 O SER A 44 1.445 -12.897 -1.120 1.00 0.00 O ATOM 741 CB SER A 44 2.463 -15.699 -2.725 1.00 0.00 C ATOM 742 OG SER A 44 2.809 -16.932 -2.108 1.00 0.00 O ATOM 0 H SER A 44 0.304 -16.259 -3.563 1.00 0.00 H new ATOM 0 HA SER A 44 1.206 -15.364 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.251 -15.856 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.300 -15.003 -2.668 1.00 0.00 H new ATOM 0 HG SER A 44 3.592 -17.314 -2.556 1.00 0.00 H new ATOM 748 N SER A 45 1.076 -13.037 -3.280 1.00 0.00 N ATOM 749 CA SER A 45 1.081 -11.553 -3.426 1.00 0.00 C ATOM 750 C SER A 45 -0.258 -10.991 -2.956 1.00 0.00 C ATOM 751 O SER A 45 -0.324 -10.186 -2.050 1.00 0.00 O ATOM 752 CB SER A 45 1.276 -11.304 -4.920 1.00 0.00 C ATOM 753 OG SER A 45 2.601 -11.667 -5.288 1.00 0.00 O ATOM 0 H SER A 45 0.919 -13.558 -4.143 1.00 0.00 H new ATOM 0 HA SER A 45 1.860 -11.073 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.555 -11.885 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.097 -10.254 -5.152 1.00 0.00 H new ATOM 0 HG SER A 45 2.575 -12.462 -5.861 1.00 0.00 H new ATOM 759 N LEU A 46 -1.319 -11.424 -3.581 1.00 0.00 N ATOM 760 CA LEU A 46 -2.686 -10.955 -3.213 1.00 0.00 C ATOM 761 C LEU A 46 -2.779 -10.618 -1.721 1.00 0.00 C ATOM 762 O LEU A 46 -2.948 -9.477 -1.347 1.00 0.00 O ATOM 763 CB LEU A 46 -3.590 -12.143 -3.541 1.00 0.00 C ATOM 764 CG LEU A 46 -3.851 -12.187 -5.045 1.00 0.00 C ATOM 765 CD1 LEU A 46 -4.469 -13.535 -5.418 1.00 0.00 C ATOM 766 CD2 LEU A 46 -4.813 -11.065 -5.426 1.00 0.00 C ATOM 0 H LEU A 46 -1.295 -12.097 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.962 -10.046 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.120 -13.071 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.532 -12.056 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.910 -12.059 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.655 -13.565 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.783 -14.337 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.410 -13.664 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.000 -11.095 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.753 -11.194 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.373 -10.103 -5.161 1.00 0.00 H new ATOM 778 N LYS A 47 -2.682 -11.601 -0.871 1.00 0.00 N ATOM 779 CA LYS A 47 -2.783 -11.328 0.593 1.00 0.00 C ATOM 780 C LYS A 47 -1.528 -10.611 1.105 1.00 0.00 C ATOM 781 O LYS A 47 -1.608 -9.549 1.690 1.00 0.00 O ATOM 782 CB LYS A 47 -2.917 -12.704 1.245 1.00 0.00 C ATOM 783 CG LYS A 47 -4.031 -12.662 2.293 1.00 0.00 C ATOM 784 CD LYS A 47 -5.317 -13.234 1.695 1.00 0.00 C ATOM 785 CE LYS A 47 -5.389 -14.735 1.987 1.00 0.00 C ATOM 786 NZ LYS A 47 -6.572 -15.220 1.223 1.00 0.00 N ATOM 0 H LYS A 47 -2.538 -12.579 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.626 -10.678 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.141 -13.457 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.975 -12.991 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.739 -13.237 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.196 -11.636 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.185 -12.728 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.340 -13.060 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.479 -15.243 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.504 -14.924 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.687 -16.243 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.425 -14.724 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.431 -15.033 0.210 1.00 0.00 H new ATOM 800 N LYS A 48 -0.374 -11.184 0.903 1.00 0.00 N ATOM 801 CA LYS A 48 0.876 -10.532 1.394 1.00 0.00 C ATOM 802 C LYS A 48 1.041 -9.138 0.778 1.00 0.00 C ATOM 803 O LYS A 48 0.922 -8.135 1.452 1.00 0.00 O ATOM 804 CB LYS A 48 2.007 -11.459 0.947 1.00 0.00 C ATOM 805 CG LYS A 48 3.174 -11.345 1.929 1.00 0.00 C ATOM 806 CD LYS A 48 3.342 -12.668 2.678 1.00 0.00 C ATOM 807 CE LYS A 48 2.663 -12.570 4.048 1.00 0.00 C ATOM 808 NZ LYS A 48 3.458 -11.564 4.812 1.00 0.00 N ATOM 0 H LYS A 48 -0.241 -12.073 0.421 1.00 0.00 H new ATOM 0 HA LYS A 48 0.865 -10.391 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.653 -12.489 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.335 -11.193 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.091 -11.099 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.991 -10.536 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.905 -13.483 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.401 -12.897 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.623 -12.257 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.659 -13.535 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.890 -12.020 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.206 -11.176 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.833 -10.794 5.126 1.00 0.00 H new ATOM 822 N ASN A 49 1.323 -9.067 -0.496 1.00 0.00 N ATOM 823 CA ASN A 49 1.505 -7.737 -1.151 1.00 0.00 C ATOM 824 C ASN A 49 0.451 -6.742 -0.653 1.00 0.00 C ATOM 825 O ASN A 49 0.774 -5.730 -0.062 1.00 0.00 O ATOM 826 CB ASN A 49 1.332 -8.003 -2.646 1.00 0.00 C ATOM 827 CG ASN A 49 2.471 -7.334 -3.418 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.844 -6.216 -3.123 1.00 0.00 O ATOM 829 ND2 ASN A 49 3.042 -7.974 -4.402 1.00 0.00 N ATOM 0 H ASN A 49 1.435 -9.872 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 49 2.477 -7.299 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.330 -9.076 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.371 -7.616 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.801 -7.535 -4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.729 -8.913 -4.650 1.00 0.00 H new ATOM 836 N VAL A 50 -0.803 -7.017 -0.890 1.00 0.00 N ATOM 837 CA VAL A 50 -1.872 -6.079 -0.431 1.00 0.00 C ATOM 838 C VAL A 50 -1.562 -5.572 0.980 1.00 0.00 C ATOM 839 O VAL A 50 -1.744 -4.410 1.285 1.00 0.00 O ATOM 840 CB VAL A 50 -3.156 -6.909 -0.437 1.00 0.00 C ATOM 841 CG1 VAL A 50 -4.232 -6.205 0.393 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.651 -7.068 -1.877 1.00 0.00 C ATOM 0 H VAL A 50 -1.135 -7.848 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.954 -5.200 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.952 -7.890 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.145 -6.800 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.883 -6.089 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.436 -5.223 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.566 -7.660 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.851 -6.085 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.888 -7.573 -2.470 1.00 0.00 H new ATOM 852 N GLY A 51 -1.094 -6.433 1.842 1.00 0.00 N ATOM 853 CA GLY A 51 -0.773 -5.996 3.229 1.00 0.00 C ATOM 854 C GLY A 51 0.732 -6.118 3.464 1.00 0.00 C ATOM 855 O GLY A 51 1.172 -6.439 4.545 1.00 0.00 O ATOM 0 H GLY A 51 -0.920 -7.419 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.094 -4.965 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.316 -6.608 3.950 1.00 0.00 H new ATOM 859 N GLN A 52 1.525 -5.866 2.461 1.00 0.00 N ATOM 860 CA GLN A 52 3.002 -5.970 2.642 1.00 0.00 C ATOM 861 C GLN A 52 3.727 -5.247 1.507 1.00 0.00 C ATOM 862 O GLN A 52 4.414 -5.855 0.710 1.00 0.00 O ATOM 863 CB GLN A 52 3.301 -7.468 2.603 1.00 0.00 C ATOM 864 CG GLN A 52 4.619 -7.745 3.330 1.00 0.00 C ATOM 865 CD GLN A 52 5.777 -7.655 2.335 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.378 -6.510 2.154 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 6.139 -8.636 1.715 1.00 0.00 N flip ATOM 0 H GLN A 52 1.218 -5.594 1.527 1.00 0.00 H new ATOM 0 HA GLN A 52 3.337 -5.512 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.490 -8.024 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.364 -7.810 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.761 -7.025 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.594 -8.734 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.670 -9.530 1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.912 -8.565 1.054 1.00 0.00 H new ATOM 876 N PHE A 53 3.583 -3.951 1.428 1.00 0.00 N ATOM 877 CA PHE A 53 4.269 -3.195 0.343 1.00 0.00 C ATOM 878 C PHE A 53 5.444 -2.403 0.920 1.00 0.00 C ATOM 879 O PHE A 53 5.712 -2.442 2.105 1.00 0.00 O ATOM 880 CB PHE A 53 3.208 -2.248 -0.219 1.00 0.00 C ATOM 881 CG PHE A 53 3.660 -1.733 -1.565 1.00 0.00 C ATOM 882 CD1 PHE A 53 4.201 -2.617 -2.506 1.00 0.00 C ATOM 883 CD2 PHE A 53 3.540 -0.372 -1.872 1.00 0.00 C ATOM 884 CE1 PHE A 53 4.621 -2.141 -3.754 1.00 0.00 C ATOM 885 CE2 PHE A 53 3.960 0.104 -3.120 1.00 0.00 C ATOM 886 CZ PHE A 53 4.501 -0.781 -4.061 1.00 0.00 C ATOM 0 H PHE A 53 3.022 -3.386 2.066 1.00 0.00 H new ATOM 0 HA PHE A 53 4.672 -3.852 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.255 -2.768 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.047 -1.416 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.294 -3.667 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.123 0.311 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.038 -2.824 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.867 1.154 -3.357 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.826 -0.414 -5.023 1.00 0.00 H new ATOM 896 N SER A 54 6.146 -1.684 0.091 1.00 0.00 N ATOM 897 CA SER A 54 7.303 -0.888 0.590 1.00 0.00 C ATOM 898 C SER A 54 7.067 0.600 0.319 1.00 0.00 C ATOM 899 O SER A 54 7.833 1.242 -0.370 1.00 0.00 O ATOM 900 CB SER A 54 8.504 -1.394 -0.209 1.00 0.00 C ATOM 901 OG SER A 54 8.166 -1.433 -1.589 1.00 0.00 O ATOM 0 H SER A 54 5.969 -1.612 -0.911 1.00 0.00 H new ATOM 0 HA SER A 54 7.453 -0.999 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.362 -0.741 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.792 -2.387 0.135 1.00 0.00 H new ATOM 0 HG SER A 54 8.262 -2.349 -1.924 1.00 0.00 H new ATOM 907 N GLY A 55 6.011 1.151 0.853 1.00 0.00 N ATOM 908 CA GLY A 55 5.735 2.594 0.613 1.00 0.00 C ATOM 909 C GLY A 55 4.729 3.117 1.642 1.00 0.00 C ATOM 910 O GLY A 55 4.871 4.206 2.155 1.00 0.00 O ATOM 0 H GLY A 55 5.332 0.667 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.662 3.165 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.343 2.734 -0.394 1.00 0.00 H new ATOM 914 N PHE A 56 3.707 2.361 1.940 1.00 0.00 N ATOM 915 CA PHE A 56 2.697 2.841 2.927 1.00 0.00 C ATOM 916 C PHE A 56 3.377 3.271 4.241 1.00 0.00 C ATOM 917 O PHE A 56 3.469 4.451 4.515 1.00 0.00 O ATOM 918 CB PHE A 56 1.743 1.662 3.131 1.00 0.00 C ATOM 919 CG PHE A 56 0.713 1.656 2.027 1.00 0.00 C ATOM 920 CD1 PHE A 56 0.999 1.019 0.813 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.522 2.288 2.211 1.00 0.00 C ATOM 922 CE1 PHE A 56 0.049 1.012 -0.215 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.471 2.282 1.183 1.00 0.00 C ATOM 924 CZ PHE A 56 -1.186 1.644 -0.030 1.00 0.00 C ATOM 0 H PHE A 56 3.528 1.437 1.546 1.00 0.00 H new ATOM 0 HA PHE A 56 2.160 3.722 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.300 0.725 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.252 1.740 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.953 0.533 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.743 2.780 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.269 0.519 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.424 2.770 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.919 1.639 -0.823 1.00 0.00 H new ATOM 934 N PRO A 57 3.839 2.322 5.021 1.00 0.00 N ATOM 935 CA PRO A 57 4.509 2.669 6.300 1.00 0.00 C ATOM 936 C PRO A 57 5.864 3.330 6.027 1.00 0.00 C ATOM 937 O PRO A 57 6.896 2.848 6.450 1.00 0.00 O ATOM 938 CB PRO A 57 4.685 1.319 6.991 1.00 0.00 C ATOM 939 CG PRO A 57 4.699 0.325 5.880 1.00 0.00 C ATOM 940 CD PRO A 57 3.793 0.869 4.811 1.00 0.00 C ATOM 0 HA PRO A 57 3.943 3.377 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.611 1.285 7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.871 1.122 7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.710 0.185 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.351 -0.648 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.141 0.597 3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.779 0.482 4.911 1.00 0.00 H new ATOM 948 N PHE A 58 5.871 4.430 5.321 1.00 0.00 N ATOM 949 CA PHE A 58 7.164 5.114 5.025 1.00 0.00 C ATOM 950 C PHE A 58 7.154 6.547 5.578 1.00 0.00 C ATOM 951 O PHE A 58 6.478 6.838 6.544 1.00 0.00 O ATOM 952 CB PHE A 58 7.302 5.074 3.494 1.00 0.00 C ATOM 953 CG PHE A 58 6.693 6.299 2.843 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.328 6.581 2.989 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.500 7.141 2.067 1.00 0.00 C ATOM 956 CE1 PHE A 58 4.773 7.703 2.359 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.945 8.263 1.441 1.00 0.00 C ATOM 958 CZ PHE A 58 5.581 8.544 1.586 1.00 0.00 C ATOM 0 H PHE A 58 5.041 4.883 4.938 1.00 0.00 H new ATOM 0 HA PHE A 58 8.015 4.626 5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.356 5.006 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.816 4.178 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.704 5.934 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.552 6.924 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.721 7.919 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.569 8.913 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.153 9.409 1.102 1.00 0.00 H new ATOM 968 N GLU A 59 7.912 7.438 4.996 1.00 0.00 N ATOM 969 CA GLU A 59 7.949 8.836 5.527 1.00 0.00 C ATOM 970 C GLU A 59 7.338 9.824 4.530 1.00 0.00 C ATOM 971 O GLU A 59 6.457 9.489 3.769 1.00 0.00 O ATOM 972 CB GLU A 59 9.435 9.137 5.730 1.00 0.00 C ATOM 973 CG GLU A 59 9.642 9.793 7.096 1.00 0.00 C ATOM 974 CD GLU A 59 9.959 8.717 8.136 1.00 0.00 C ATOM 975 OE1 GLU A 59 10.659 7.777 7.794 1.00 0.00 O ATOM 976 OE2 GLU A 59 9.495 8.848 9.257 1.00 0.00 O ATOM 0 H GLU A 59 8.503 7.263 4.183 1.00 0.00 H new ATOM 0 HA GLU A 59 7.372 8.933 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.015 8.217 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.794 9.797 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.457 10.515 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.747 10.342 7.387 1.00 0.00 H new ATOM 983 N LYS A 60 7.799 11.047 4.540 1.00 0.00 N ATOM 984 CA LYS A 60 7.248 12.069 3.603 1.00 0.00 C ATOM 985 C LYS A 60 8.349 13.048 3.189 1.00 0.00 C ATOM 986 O LYS A 60 9.500 12.889 3.546 1.00 0.00 O ATOM 987 CB LYS A 60 6.160 12.792 4.400 1.00 0.00 C ATOM 988 CG LYS A 60 6.806 13.699 5.449 1.00 0.00 C ATOM 989 CD LYS A 60 5.727 14.243 6.390 1.00 0.00 C ATOM 990 CE LYS A 60 5.117 15.512 5.790 1.00 0.00 C ATOM 991 NZ LYS A 60 4.149 15.995 6.813 1.00 0.00 N ATOM 0 H LYS A 60 8.536 11.383 5.159 1.00 0.00 H new ATOM 0 HA LYS A 60 6.855 11.624 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.536 13.383 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.508 12.066 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.551 13.142 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.327 14.523 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.952 13.492 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.158 14.461 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.883 16.260 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.619 15.301 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.690 16.864 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.428 15.265 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.653 16.194 7.701 1.00 0.00 H new ATOM 1005 N GLY A 61 8.006 14.060 2.440 1.00 0.00 N ATOM 1006 CA GLY A 61 9.034 15.050 2.007 1.00 0.00 C ATOM 1007 C GLY A 61 9.993 14.397 1.009 1.00 0.00 C ATOM 1008 O GLY A 61 11.012 14.955 0.658 1.00 0.00 O ATOM 0 H GLY A 61 7.059 14.245 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.551 15.914 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.588 15.415 2.872 1.00 0.00 H new ATOM 1012 N SER A 62 9.674 13.217 0.548 1.00 0.00 N ATOM 1013 CA SER A 62 10.573 12.531 -0.427 1.00 0.00 C ATOM 1014 C SER A 62 9.909 12.474 -1.806 1.00 0.00 C ATOM 1015 O SER A 62 8.714 12.645 -1.938 1.00 0.00 O ATOM 1016 CB SER A 62 10.765 11.122 0.132 1.00 0.00 C ATOM 1017 OG SER A 62 9.520 10.637 0.618 1.00 0.00 O ATOM 0 H SER A 62 8.833 12.699 0.803 1.00 0.00 H new ATOM 0 HA SER A 62 11.522 13.052 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.149 10.460 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.502 11.134 0.935 1.00 0.00 H new ATOM 0 HG SER A 62 9.639 9.732 0.976 1.00 0.00 H new ATOM 1023 N VAL A 63 10.676 12.232 -2.836 1.00 0.00 N ATOM 1024 CA VAL A 63 10.085 12.166 -4.203 1.00 0.00 C ATOM 1025 C VAL A 63 8.782 11.363 -4.174 1.00 0.00 C ATOM 1026 O VAL A 63 7.775 11.774 -4.717 1.00 0.00 O ATOM 1027 CB VAL A 63 11.136 11.460 -5.064 1.00 0.00 C ATOM 1028 CG1 VAL A 63 12.355 12.369 -5.227 1.00 0.00 C ATOM 1029 CG2 VAL A 63 11.563 10.153 -4.389 1.00 0.00 C ATOM 0 H VAL A 63 11.683 12.078 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 63 9.842 13.154 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 63 10.711 11.239 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.104 11.867 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.054 13.298 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.777 12.590 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.311 9.653 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.987 10.371 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.696 9.503 -4.273 1.00 0.00 H new ATOM 1039 N GLN A 64 8.790 10.226 -3.535 1.00 0.00 N ATOM 1040 CA GLN A 64 7.549 9.406 -3.464 1.00 0.00 C ATOM 1041 C GLN A 64 6.417 10.241 -2.860 1.00 0.00 C ATOM 1042 O GLN A 64 5.350 10.368 -3.429 1.00 0.00 O ATOM 1043 CB GLN A 64 7.907 8.231 -2.550 1.00 0.00 C ATOM 1044 CG GLN A 64 6.628 7.612 -1.980 1.00 0.00 C ATOM 1045 CD GLN A 64 6.993 6.491 -1.004 1.00 0.00 C ATOM 1046 OE1 GLN A 64 6.241 6.189 -0.099 1.00 0.00 O ATOM 1047 NE2 GLN A 64 8.124 5.857 -1.151 1.00 0.00 N ATOM 0 H GLN A 64 9.601 9.830 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 64 7.209 9.065 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.468 7.481 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.550 8.572 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.038 8.374 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.011 7.219 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.756 6.110 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.376 5.108 -0.506 1.00 0.00 H new ATOM 1056 N TYR A 65 6.647 10.814 -1.711 1.00 0.00 N ATOM 1057 CA TYR A 65 5.595 11.645 -1.063 1.00 0.00 C ATOM 1058 C TYR A 65 4.955 12.579 -2.095 1.00 0.00 C ATOM 1059 O TYR A 65 3.769 12.840 -2.059 1.00 0.00 O ATOM 1060 CB TYR A 65 6.345 12.426 0.025 1.00 0.00 C ATOM 1061 CG TYR A 65 5.646 13.735 0.316 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.405 13.740 0.964 1.00 0.00 C ATOM 1063 CD2 TYR A 65 6.245 14.942 -0.060 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.764 14.953 1.236 1.00 0.00 C ATOM 1065 CE2 TYR A 65 5.603 16.156 0.212 1.00 0.00 C ATOM 1066 CZ TYR A 65 4.363 16.162 0.860 1.00 0.00 C ATOM 1067 OH TYR A 65 3.731 17.358 1.128 1.00 0.00 O ATOM 0 H TYR A 65 7.522 10.742 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 65 4.779 11.057 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.404 11.828 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.369 12.618 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.943 12.808 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.202 14.937 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.807 14.957 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.065 17.088 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 65 4.283 18.100 0.802 1.00 0.00 H new ATOM 1077 N LYS A 66 5.727 13.073 -3.021 1.00 0.00 N ATOM 1078 CA LYS A 66 5.157 13.976 -4.061 1.00 0.00 C ATOM 1079 C LYS A 66 4.155 13.201 -4.917 1.00 0.00 C ATOM 1080 O LYS A 66 3.057 13.658 -5.191 1.00 0.00 O ATOM 1081 CB LYS A 66 6.353 14.418 -4.903 1.00 0.00 C ATOM 1082 CG LYS A 66 6.593 15.915 -4.705 1.00 0.00 C ATOM 1083 CD LYS A 66 7.047 16.172 -3.268 1.00 0.00 C ATOM 1084 CE LYS A 66 7.266 17.673 -3.060 1.00 0.00 C ATOM 1085 NZ LYS A 66 8.250 17.766 -1.947 1.00 0.00 N ATOM 0 H LYS A 66 6.727 12.891 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 66 4.629 14.828 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.241 13.856 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.168 14.205 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.349 16.269 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.679 16.472 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.298 15.803 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.969 15.628 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.647 18.146 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.333 18.177 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.452 18.766 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.857 17.314 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.130 17.284 -2.220 1.00 0.00 H new ATOM 1099 N LYS A 67 4.522 12.018 -5.330 1.00 0.00 N ATOM 1100 CA LYS A 67 3.596 11.199 -6.156 1.00 0.00 C ATOM 1101 C LYS A 67 2.239 11.118 -5.460 1.00 0.00 C ATOM 1102 O LYS A 67 1.235 11.556 -5.985 1.00 0.00 O ATOM 1103 CB LYS A 67 4.245 9.819 -6.242 1.00 0.00 C ATOM 1104 CG LYS A 67 4.807 9.608 -7.650 1.00 0.00 C ATOM 1105 CD LYS A 67 5.952 8.597 -7.598 1.00 0.00 C ATOM 1106 CE LYS A 67 5.929 7.736 -8.864 1.00 0.00 C ATOM 1107 NZ LYS A 67 7.356 7.398 -9.137 1.00 0.00 N ATOM 0 H LYS A 67 5.424 11.585 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 67 3.431 11.620 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.042 9.733 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.512 9.046 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.022 9.250 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.162 10.555 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.907 9.116 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.855 7.966 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.333 6.835 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.486 8.278 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.416 6.809 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.899 8.273 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.750 6.876 -8.328 1.00 0.00 H new ATOM 1121 N LYS A 68 2.203 10.568 -4.277 1.00 0.00 N ATOM 1122 CA LYS A 68 0.914 10.470 -3.545 1.00 0.00 C ATOM 1123 C LYS A 68 0.141 11.781 -3.679 1.00 0.00 C ATOM 1124 O LYS A 68 -1.029 11.789 -3.969 1.00 0.00 O ATOM 1125 CB LYS A 68 1.298 10.215 -2.088 1.00 0.00 C ATOM 1126 CG LYS A 68 1.139 8.727 -1.775 1.00 0.00 C ATOM 1127 CD LYS A 68 1.584 8.456 -0.338 1.00 0.00 C ATOM 1128 CE LYS A 68 3.000 8.998 -0.128 1.00 0.00 C ATOM 1129 NZ LYS A 68 2.829 10.199 0.736 1.00 0.00 N ATOM 0 H LYS A 68 3.011 10.183 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 68 0.273 9.679 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.327 10.527 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.667 10.807 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.100 8.426 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.734 8.133 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.895 8.929 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.560 7.385 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.640 8.256 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.468 9.258 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.762 10.547 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.337 10.944 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.268 9.946 1.575 1.00 0.00 H new ATOM 1143 N GLU A 69 0.782 12.897 -3.480 1.00 0.00 N ATOM 1144 CA GLU A 69 0.050 14.187 -3.613 1.00 0.00 C ATOM 1145 C GLU A 69 -0.833 14.159 -4.868 1.00 0.00 C ATOM 1146 O GLU A 69 -2.048 14.220 -4.792 1.00 0.00 O ATOM 1147 CB GLU A 69 1.139 15.254 -3.741 1.00 0.00 C ATOM 1148 CG GLU A 69 0.762 16.473 -2.895 1.00 0.00 C ATOM 1149 CD GLU A 69 1.889 17.506 -2.956 1.00 0.00 C ATOM 1150 OE1 GLU A 69 3.028 17.127 -2.736 1.00 0.00 O ATOM 1151 OE2 GLU A 69 1.594 18.660 -3.222 1.00 0.00 O ATOM 0 H GLU A 69 1.769 12.973 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.606 14.382 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.097 14.852 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.257 15.545 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.167 16.910 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.586 16.172 -1.862 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.234 14.060 -6.023 1.00 0.00 N ATOM 1159 CA GLU A 70 -1.044 14.030 -7.278 1.00 0.00 C ATOM 1160 C GLU A 70 -1.710 12.661 -7.471 1.00 0.00 C ATOM 1161 O GLU A 70 -2.909 12.564 -7.666 1.00 0.00 O ATOM 1162 CB GLU A 70 -0.040 14.300 -8.401 1.00 0.00 C ATOM 1163 CG GLU A 70 0.557 15.697 -8.224 1.00 0.00 C ATOM 1164 CD GLU A 70 -0.051 16.647 -9.259 1.00 0.00 C ATOM 1165 OE1 GLU A 70 -1.053 16.284 -9.851 1.00 0.00 O ATOM 1166 OE2 GLU A 70 0.498 17.722 -9.441 1.00 0.00 O ATOM 0 H GLU A 70 0.776 13.999 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.850 14.764 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.751 13.550 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.533 14.223 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.358 16.064 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.640 15.659 -8.342 1.00 0.00 H new ATOM 1173 N MET A 71 -0.943 11.609 -7.432 1.00 0.00 N ATOM 1174 CA MET A 71 -1.524 10.248 -7.627 1.00 0.00 C ATOM 1175 C MET A 71 -2.688 10.011 -6.660 1.00 0.00 C ATOM 1176 O MET A 71 -3.716 9.486 -7.036 1.00 0.00 O ATOM 1177 CB MET A 71 -0.375 9.285 -7.328 1.00 0.00 C ATOM 1178 CG MET A 71 0.814 9.612 -8.235 1.00 0.00 C ATOM 1179 SD MET A 71 1.314 8.122 -9.135 1.00 0.00 S ATOM 1180 CE MET A 71 0.376 8.446 -10.649 1.00 0.00 C ATOM 0 H MET A 71 0.064 11.631 -7.273 1.00 0.00 H new ATOM 0 HA MET A 71 -1.924 10.115 -8.632 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.081 9.366 -6.282 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.697 8.256 -7.489 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.543 10.400 -8.937 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.647 9.987 -7.640 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.541 7.636 -11.359 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.686 8.511 -10.412 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.708 9.387 -11.088 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.540 10.391 -5.419 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.651 10.177 -4.446 1.00 0.00 C ATOM 1192 C LEU A 72 -4.853 11.033 -4.836 1.00 0.00 C ATOM 1193 O LEU A 72 -5.977 10.668 -4.591 1.00 0.00 O ATOM 1194 CB LEU A 72 -3.108 10.585 -3.067 1.00 0.00 C ATOM 1195 CG LEU A 72 -3.273 12.095 -2.851 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -4.697 12.390 -2.379 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.279 12.572 -1.790 1.00 0.00 C ATOM 0 H LEU A 72 -1.705 10.837 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.983 9.139 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.637 10.040 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.055 10.313 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.083 12.617 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.815 13.463 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.408 12.051 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.885 11.867 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.397 13.645 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.468 12.049 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.263 12.363 -2.123 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.627 12.167 -5.445 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.778 13.023 -5.853 1.00 0.00 C ATOM 1211 C LYS A 73 -6.679 12.243 -6.820 1.00 0.00 C ATOM 1212 O LYS A 73 -7.776 11.825 -6.479 1.00 0.00 O ATOM 1213 CB LYS A 73 -5.150 14.225 -6.560 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.592 15.517 -5.871 1.00 0.00 C ATOM 1215 CD LYS A 73 -4.439 16.523 -5.880 1.00 0.00 C ATOM 1216 CE LYS A 73 -4.737 17.649 -4.889 1.00 0.00 C ATOM 1217 NZ LYS A 73 -3.769 17.448 -3.776 1.00 0.00 N ATOM 0 H LYS A 73 -3.704 12.535 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.393 13.329 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.063 14.144 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.449 14.240 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.458 15.936 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.898 15.308 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.507 16.026 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.306 16.931 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.608 18.627 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.766 17.599 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.028 18.059 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.790 16.453 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.811 17.691 -4.101 1.00 0.00 H new ATOM 1231 N LYS A 74 -6.219 12.031 -8.022 1.00 0.00 N ATOM 1232 CA LYS A 74 -7.046 11.267 -8.998 1.00 0.00 C ATOM 1233 C LYS A 74 -7.543 9.983 -8.334 1.00 0.00 C ATOM 1234 O LYS A 74 -8.720 9.668 -8.352 1.00 0.00 O ATOM 1235 CB LYS A 74 -6.107 10.944 -10.160 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.846 10.085 -11.188 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.893 9.713 -12.324 1.00 0.00 C ATOM 1238 CE LYS A 74 -5.045 8.509 -11.905 1.00 0.00 C ATOM 1239 NZ LYS A 74 -5.913 7.322 -12.152 1.00 0.00 N ATOM 0 H LYS A 74 -5.314 12.350 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.919 11.824 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.756 11.865 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.226 10.416 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.232 9.183 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.704 10.629 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.459 9.477 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.249 10.559 -12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.125 8.453 -12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.756 8.575 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.808 6.646 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.906 7.625 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.632 6.866 -13.043 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.650 9.250 -7.729 1.00 0.00 N ATOM 1254 CA PHE A 75 -7.061 8.001 -7.041 1.00 0.00 C ATOM 1255 C PHE A 75 -8.075 8.345 -5.953 1.00 0.00 C ATOM 1256 O PHE A 75 -8.965 7.578 -5.651 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.773 7.445 -6.430 1.00 0.00 C ATOM 1258 CG PHE A 75 -5.041 6.622 -7.464 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.745 5.717 -8.267 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.657 6.769 -7.622 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.065 4.958 -9.226 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -2.978 6.010 -8.582 1.00 0.00 C ATOM 1263 CZ PHE A 75 -3.682 5.105 -9.385 1.00 0.00 C ATOM 0 H PHE A 75 -5.654 9.464 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.529 7.277 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.139 8.262 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.006 6.832 -5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.812 5.605 -8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.114 7.468 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.608 4.258 -9.844 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.911 6.123 -8.703 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.158 4.520 -10.127 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.955 9.506 -5.371 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.921 9.904 -4.314 1.00 0.00 C ATOM 1275 C ARG A 76 -10.324 9.576 -4.794 1.00 0.00 C ATOM 1276 O ARG A 76 -11.060 8.855 -4.156 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.756 11.416 -4.147 1.00 0.00 C ATOM 1278 CG ARG A 76 -9.438 11.865 -2.856 1.00 0.00 C ATOM 1279 CD ARG A 76 -10.074 13.238 -3.070 1.00 0.00 C ATOM 1280 NE ARG A 76 -11.455 12.949 -3.547 1.00 0.00 N ATOM 1281 CZ ARG A 76 -12.250 13.928 -3.879 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -11.770 14.988 -4.467 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -13.527 13.845 -3.622 1.00 0.00 N ATOM 0 H ARG A 76 -7.231 10.193 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.750 9.386 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.698 11.676 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.191 11.936 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.198 11.141 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.712 11.911 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.088 13.816 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.517 13.822 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.779 11.984 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.772 15.052 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.392 15.753 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.902 13.015 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.150 14.610 -3.881 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.695 10.086 -5.929 1.00 0.00 N ATOM 1298 CA ASN A 77 -12.056 9.785 -6.456 1.00 0.00 C ATOM 1299 C ASN A 77 -12.196 8.285 -6.748 1.00 0.00 C ATOM 1300 O ASN A 77 -12.969 7.585 -6.116 1.00 0.00 O ATOM 1301 CB ASN A 77 -12.172 10.598 -7.746 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.646 12.015 -7.415 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -13.754 12.389 -7.745 1.00 0.00 O ATOM 1304 ND2 ASN A 77 -11.847 12.823 -6.774 1.00 0.00 N ATOM 0 H ASN A 77 -10.122 10.694 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.839 10.041 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.208 10.635 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.873 10.119 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.152 13.770 -6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.917 12.508 -6.498 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.462 7.787 -7.705 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.565 6.336 -8.053 1.00 0.00 C ATOM 1313 C ALA A 78 -11.015 5.447 -6.932 1.00 0.00 C ATOM 1314 O ALA A 78 -11.745 4.705 -6.296 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.714 6.180 -9.311 1.00 0.00 C ATOM 0 H ALA A 78 -10.795 8.320 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.602 6.033 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.734 5.140 -9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.113 6.816 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.687 6.473 -9.094 1.00 0.00 H new ATOM 1321 N MET A 79 -9.732 5.497 -6.703 1.00 0.00 N ATOM 1322 CA MET A 79 -9.118 4.643 -5.644 1.00 0.00 C ATOM 1323 C MET A 79 -10.017 4.559 -4.412 1.00 0.00 C ATOM 1324 O MET A 79 -10.450 3.490 -4.029 1.00 0.00 O ATOM 1325 CB MET A 79 -7.797 5.326 -5.294 1.00 0.00 C ATOM 1326 CG MET A 79 -6.834 4.297 -4.702 1.00 0.00 C ATOM 1327 SD MET A 79 -5.861 3.544 -6.029 1.00 0.00 S ATOM 1328 CE MET A 79 -4.244 3.693 -5.232 1.00 0.00 C ATOM 0 H MET A 79 -9.077 6.096 -7.206 1.00 0.00 H new ATOM 0 HA MET A 79 -8.974 3.619 -5.990 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.361 5.778 -6.185 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.969 6.132 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.173 4.776 -3.979 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.391 3.529 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.476 3.282 -5.887 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.030 4.744 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.250 3.143 -4.291 1.00 0.00 H new ATOM 1338 N LEU A 80 -10.306 5.663 -3.776 1.00 0.00 N ATOM 1339 CA LEU A 80 -11.173 5.589 -2.567 1.00 0.00 C ATOM 1340 C LEU A 80 -12.398 4.733 -2.869 1.00 0.00 C ATOM 1341 O LEU A 80 -12.780 3.888 -2.087 1.00 0.00 O ATOM 1342 CB LEU A 80 -11.575 7.024 -2.248 1.00 0.00 C ATOM 1343 CG LEU A 80 -10.319 7.837 -1.931 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -10.721 9.217 -1.414 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -9.502 7.110 -0.862 1.00 0.00 C ATOM 0 H LEU A 80 -9.986 6.596 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.660 5.134 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.104 7.463 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.259 7.043 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.720 7.950 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.826 9.796 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.305 9.734 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.319 9.107 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.606 7.687 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.102 6.999 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.215 6.125 -1.231 1.00 0.00 H new ATOM 1357 N LYS A 81 -13.008 4.926 -4.006 1.00 0.00 N ATOM 1358 CA LYS A 81 -14.193 4.094 -4.343 1.00 0.00 C ATOM 1359 C LYS A 81 -13.902 2.633 -3.981 1.00 0.00 C ATOM 1360 O LYS A 81 -14.517 2.066 -3.099 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.371 4.250 -5.852 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.851 4.454 -6.176 1.00 0.00 C ATOM 1363 CD LYS A 81 -16.046 5.830 -6.813 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.876 6.915 -5.747 1.00 0.00 C ATOM 1365 NZ LYS A 81 -17.247 7.146 -5.213 1.00 0.00 N ATOM 0 H LYS A 81 -12.740 5.616 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.090 4.394 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.789 5.099 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.994 3.366 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.197 3.674 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.448 4.374 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.323 5.977 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.037 5.898 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.195 6.592 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.460 7.827 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.225 7.925 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.887 7.393 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.588 6.281 -4.746 1.00 0.00 H new ATOM 1379 N SER A 82 -12.955 2.030 -4.647 1.00 0.00 N ATOM 1380 CA SER A 82 -12.613 0.611 -4.337 1.00 0.00 C ATOM 1381 C SER A 82 -11.758 0.526 -3.067 1.00 0.00 C ATOM 1382 O SER A 82 -12.173 -0.021 -2.064 1.00 0.00 O ATOM 1383 CB SER A 82 -11.818 0.122 -5.547 1.00 0.00 C ATOM 1384 OG SER A 82 -12.462 0.555 -6.738 1.00 0.00 O ATOM 0 H SER A 82 -12.404 2.457 -5.391 1.00 0.00 H new ATOM 0 HA SER A 82 -13.503 0.008 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.800 0.510 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.746 -0.966 -5.534 1.00 0.00 H new ATOM 0 HG SER A 82 -11.954 0.244 -7.516 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.565 1.058 -3.105 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.682 1.000 -1.903 1.00 0.00 C ATOM 1392 C ILE A 83 -10.484 1.338 -0.642 1.00 0.00 C ATOM 1393 O ILE A 83 -10.724 0.488 0.193 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.582 2.042 -2.156 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.474 1.412 -3.005 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.985 2.512 -0.826 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.992 1.151 -4.420 1.00 0.00 C ATOM 0 H ILE A 83 -10.164 1.530 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.260 0.007 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.015 2.895 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.609 2.075 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.142 0.478 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.206 3.250 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.768 2.960 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.555 1.660 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.200 0.703 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.843 0.472 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.302 2.092 -4.873 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.900 2.568 -0.492 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.681 2.938 0.722 1.00 0.00 C ATOM 1411 C CYS A 84 -12.729 1.862 1.009 1.00 0.00 C ATOM 1412 O CYS A 84 -12.897 1.434 2.133 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.354 4.270 0.391 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.584 5.224 1.912 1.00 0.00 S ATOM 0 H CYS A 84 -10.734 3.327 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.050 3.023 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.743 4.833 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.316 4.094 -0.090 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.747 6.479 1.616 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.429 1.411 0.002 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.451 0.355 0.237 1.00 0.00 C ATOM 1422 C GLU A 85 -13.860 -0.752 1.114 1.00 0.00 C ATOM 1423 O GLU A 85 -14.547 -1.359 1.912 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.801 -0.188 -1.149 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.307 -0.059 -1.381 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.603 -0.114 -2.881 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -15.930 -0.862 -3.570 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.498 0.592 -3.313 1.00 0.00 O ATOM 0 H GLU A 85 -13.337 1.726 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.332 0.740 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.256 0.363 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.498 -1.232 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.834 -0.862 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.670 0.880 -0.963 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.587 -1.018 0.973 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.953 -2.086 1.803 1.00 0.00 C ATOM 1437 C VAL A 86 -10.466 -1.792 2.010 1.00 0.00 C ATOM 1438 O VAL A 86 -9.610 -2.541 1.583 1.00 0.00 O ATOM 1439 CB VAL A 86 -12.135 -3.377 1.004 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.832 -4.578 1.902 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -13.577 -3.470 0.501 1.00 0.00 C ATOM 0 H VAL A 86 -11.961 -0.544 0.322 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.403 -2.152 2.793 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.454 -3.375 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.961 -5.499 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.805 -4.514 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.514 -4.578 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.705 -4.391 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.259 -3.471 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.795 -2.615 -0.138 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.156 -0.713 2.670 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.726 -0.375 2.917 1.00 0.00 C ATOM 1453 C LEU A 87 -8.548 0.080 4.366 1.00 0.00 C ATOM 1454 O LEU A 87 -7.770 0.967 4.658 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.411 0.768 1.953 1.00 0.00 C ATOM 1456 CG LEU A 87 -6.908 1.057 1.988 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.199 0.224 0.919 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -6.671 2.545 1.719 1.00 0.00 C ATOM 0 H LEU A 87 -10.831 -0.049 3.050 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.064 -1.226 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.719 0.502 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.972 1.660 2.232 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.511 0.796 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.129 0.432 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.368 -0.835 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.594 0.481 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.601 2.753 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.069 2.805 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.174 3.138 2.484 1.00 0.00 H new ATOM 1470 N ASP A 88 -9.268 -0.519 5.275 1.00 0.00 N ATOM 1471 CA ASP A 88 -9.144 -0.119 6.705 1.00 0.00 C ATOM 1472 C ASP A 88 -9.572 1.342 6.878 1.00 0.00 C ATOM 1473 O ASP A 88 -9.007 2.074 7.665 1.00 0.00 O ATOM 1474 CB ASP A 88 -7.662 -0.291 7.042 1.00 0.00 C ATOM 1475 CG ASP A 88 -7.476 -0.255 8.560 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -8.443 0.027 9.248 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -6.370 -0.509 9.008 1.00 0.00 O ATOM 0 H ASP A 88 -9.936 -1.267 5.089 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.778 -0.717 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.295 -1.236 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.078 0.501 6.574 1.00 0.00 H new ATOM 1482 N LEU A 89 -10.563 1.772 6.143 1.00 0.00 N ATOM 1483 CA LEU A 89 -11.020 3.188 6.266 1.00 0.00 C ATOM 1484 C LEU A 89 -12.532 3.250 6.499 1.00 0.00 C ATOM 1485 O LEU A 89 -13.156 2.267 6.849 1.00 0.00 O ATOM 1486 CB LEU A 89 -10.657 3.839 4.931 1.00 0.00 C ATOM 1487 CG LEU A 89 -9.607 4.926 5.164 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -8.286 4.509 4.516 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.088 6.240 4.545 1.00 0.00 C ATOM 0 H LEU A 89 -11.074 1.207 5.465 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.553 3.695 7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.272 3.088 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.546 4.270 4.470 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.457 5.062 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.538 5.284 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.943 3.573 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.434 4.372 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.340 7.015 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.239 6.104 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.028 6.538 5.009 1.00 0.00 H new ATOM 1501 N GLU A 90 -13.126 4.398 6.309 1.00 0.00 N ATOM 1502 CA GLU A 90 -14.597 4.524 6.523 1.00 0.00 C ATOM 1503 C GLU A 90 -15.205 5.499 5.509 1.00 0.00 C ATOM 1504 O GLU A 90 -16.355 5.877 5.612 1.00 0.00 O ATOM 1505 CB GLU A 90 -14.744 5.067 7.944 1.00 0.00 C ATOM 1506 CG GLU A 90 -16.229 5.266 8.264 1.00 0.00 C ATOM 1507 CD GLU A 90 -16.556 4.630 9.617 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -15.658 4.059 10.216 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -17.699 4.724 10.033 1.00 0.00 O ATOM 0 H GLU A 90 -12.656 5.254 6.015 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.114 3.573 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.297 4.375 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.210 6.013 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -16.467 6.330 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.842 4.817 7.483 1.00 0.00 H new ATOM 1516 N ARG A 91 -14.445 5.908 4.529 1.00 0.00 N ATOM 1517 CA ARG A 91 -14.986 6.856 3.511 1.00 0.00 C ATOM 1518 C ARG A 91 -15.810 7.955 4.191 1.00 0.00 C ATOM 1519 O ARG A 91 -17.024 7.903 4.223 1.00 0.00 O ATOM 1520 CB ARG A 91 -15.874 5.998 2.609 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.117 6.726 1.285 1.00 0.00 C ATOM 1522 CD ARG A 91 -17.615 6.994 1.118 1.00 0.00 C ATOM 1523 NE ARG A 91 -18.039 6.119 -0.011 1.00 0.00 N ATOM 1524 CZ ARG A 91 -18.589 6.643 -1.072 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -19.877 6.852 -1.103 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -17.852 6.957 -2.102 1.00 0.00 N ATOM 0 H ARG A 91 -13.474 5.628 4.389 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.196 7.357 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.399 5.035 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.824 5.795 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.564 7.665 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.749 6.124 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -18.163 6.755 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -17.806 8.044 0.897 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.899 5.110 0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -20.453 6.606 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -20.307 7.262 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.846 6.793 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.282 7.367 -2.931 1.00 0.00 H new ATOM 1540 N SER A 92 -15.161 8.949 4.733 1.00 0.00 N ATOM 1541 CA SER A 92 -15.909 10.048 5.408 1.00 0.00 C ATOM 1542 C SER A 92 -15.083 11.338 5.398 1.00 0.00 C ATOM 1543 O SER A 92 -14.043 11.423 6.020 1.00 0.00 O ATOM 1544 CB SER A 92 -16.123 9.560 6.840 1.00 0.00 C ATOM 1545 OG SER A 92 -17.320 8.794 6.902 1.00 0.00 O ATOM 0 H SER A 92 -14.146 9.048 4.738 1.00 0.00 H new ATOM 0 HA SER A 92 -16.851 10.272 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.274 8.956 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.186 10.409 7.520 1.00 0.00 H new ATOM 0 HG SER A 92 -17.485 8.375 6.032 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.538 12.340 4.697 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.777 13.622 4.649 1.00 0.00 C ATOM 1553 C GLY A 93 -15.000 14.302 3.297 1.00 0.00 C ATOM 1554 O GLY A 93 -15.750 13.827 2.467 1.00 0.00 O ATOM 0 H GLY A 93 -16.403 12.327 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.101 14.279 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.715 13.432 4.801 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.353 15.412 3.068 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.529 16.125 1.768 1.00 0.00 C ATOM 1560 C VAL A 94 -13.293 15.930 0.884 1.00 0.00 C ATOM 1561 O VAL A 94 -12.365 15.234 1.243 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.698 17.598 2.142 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -15.881 17.749 3.100 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -13.423 18.101 2.824 1.00 0.00 C ATOM 0 H VAL A 94 -13.710 15.857 3.723 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.382 15.749 1.204 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.883 18.182 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.002 18.799 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.789 17.391 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.696 17.165 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.543 19.151 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.238 17.517 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.579 17.994 2.142 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.277 16.538 -0.270 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.101 16.383 -1.176 1.00 0.00 C ATOM 1576 C ASN A 95 -10.806 16.705 -0.427 1.00 0.00 C ATOM 1577 O ASN A 95 -9.835 15.979 -0.505 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.331 17.390 -2.302 1.00 0.00 C ATOM 1579 CG ASN A 95 -13.643 17.063 -3.019 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -14.517 16.436 -2.456 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -13.817 17.464 -4.249 1.00 0.00 N ATOM 0 H ASN A 95 -14.024 17.134 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.005 15.365 -1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.367 18.402 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.501 17.358 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.687 17.251 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.083 17.991 -4.722 1.00 0.00 H new ATOM 1588 N SER A 96 -10.781 17.789 0.296 1.00 0.00 N ATOM 1589 CA SER A 96 -9.546 18.157 1.046 1.00 0.00 C ATOM 1590 C SER A 96 -9.230 17.099 2.107 1.00 0.00 C ATOM 1591 O SER A 96 -8.177 16.494 2.098 1.00 0.00 O ATOM 1592 CB SER A 96 -9.869 19.498 1.705 1.00 0.00 C ATOM 1593 OG SER A 96 -10.877 20.160 0.953 1.00 0.00 O ATOM 0 H SER A 96 -11.562 18.437 0.401 1.00 0.00 H new ATOM 0 HA SER A 96 -8.673 18.220 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.207 19.341 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.973 20.116 1.757 1.00 0.00 H new ATOM 0 HG SER A 96 -11.088 21.020 1.374 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.132 16.871 3.024 1.00 0.00 N ATOM 1600 CA GLU A 97 -9.876 15.852 4.084 1.00 0.00 C ATOM 1601 C GLU A 97 -9.623 14.480 3.453 1.00 0.00 C ATOM 1602 O GLU A 97 -8.953 13.642 4.022 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.151 15.827 4.930 1.00 0.00 C ATOM 1604 CG GLU A 97 -10.954 14.883 6.118 1.00 0.00 C ATOM 1605 CD GLU A 97 -12.066 15.113 7.144 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -13.156 14.607 6.931 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -11.810 15.792 8.124 1.00 0.00 O ATOM 0 H GLU A 97 -11.033 17.345 3.085 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.996 16.093 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.385 16.831 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.996 15.497 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.966 13.847 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.980 15.057 6.576 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.151 14.245 2.282 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.933 12.926 1.622 1.00 0.00 C ATOM 1616 C LEU A 98 -8.465 12.784 1.217 1.00 0.00 C ATOM 1617 O LEU A 98 -7.788 11.855 1.609 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.838 12.939 0.389 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.276 12.630 0.809 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -13.235 13.028 -0.315 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.415 11.132 1.088 1.00 0.00 C ATOM 0 H LEU A 98 -10.722 14.907 1.756 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.165 12.088 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.792 13.912 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.493 12.202 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.519 13.193 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.259 12.807 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.138 14.095 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.992 12.466 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.440 10.911 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.171 10.570 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.733 10.846 1.889 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.964 13.707 0.443 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.537 13.629 0.025 1.00 0.00 C ATOM 1635 C VAL A 99 -5.639 13.651 1.266 1.00 0.00 C ATOM 1636 O VAL A 99 -4.879 12.735 1.510 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.311 14.874 -0.839 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.815 15.192 -0.911 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.840 14.617 -2.252 1.00 0.00 C ATOM 0 H VAL A 99 -8.480 14.510 0.083 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.304 12.716 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.839 15.718 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.661 16.078 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.434 15.377 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.284 14.348 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.680 15.502 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.312 13.770 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.906 14.395 -2.207 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.732 14.685 2.056 1.00 0.00 N ATOM 1650 CA LYS A 100 -4.893 14.764 3.288 1.00 0.00 C ATOM 1651 C LYS A 100 -4.966 13.439 4.056 1.00 0.00 C ATOM 1652 O LYS A 100 -4.020 13.031 4.701 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.511 15.902 4.105 1.00 0.00 C ATOM 1654 CG LYS A 100 -4.983 15.867 5.544 1.00 0.00 C ATOM 1655 CD LYS A 100 -3.579 16.473 5.592 1.00 0.00 C ATOM 1656 CE LYS A 100 -3.051 16.418 7.028 1.00 0.00 C ATOM 1657 NZ LYS A 100 -3.447 17.718 7.635 1.00 0.00 N ATOM 0 H LYS A 100 -6.353 15.480 1.903 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.840 14.945 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.272 16.861 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.597 15.811 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.652 16.423 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.959 14.840 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.912 15.926 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.604 17.505 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.482 15.580 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.969 16.288 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.119 17.755 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.016 18.497 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.483 17.811 7.611 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.084 12.769 3.994 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.220 11.477 4.725 1.00 0.00 C ATOM 1673 C ARG A 101 -5.231 10.442 4.179 1.00 0.00 C ATOM 1674 O ARG A 101 -4.536 9.785 4.928 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.659 11.026 4.474 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.482 11.212 5.750 1.00 0.00 C ATOM 1677 CD ARG A 101 -7.892 10.353 6.871 1.00 0.00 C ATOM 1678 NE ARG A 101 -7.567 11.314 7.962 1.00 0.00 N ATOM 1679 CZ ARG A 101 -8.139 11.194 9.129 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -9.440 11.218 9.224 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -7.408 11.051 10.201 1.00 0.00 N ATOM 0 H ARG A 101 -6.909 13.060 3.469 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.005 11.586 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.096 11.604 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.675 9.980 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.483 12.261 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.520 10.930 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.604 9.600 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.002 9.822 6.534 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.898 12.066 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.011 11.331 8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.887 11.124 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.391 11.033 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.854 10.957 11.114 1.00 0.00 H new ATOM 1695 N ILE A 102 -5.159 10.288 2.884 1.00 0.00 N ATOM 1696 CA ILE A 102 -4.204 9.287 2.318 1.00 0.00 C ATOM 1697 C ILE A 102 -2.778 9.644 2.741 1.00 0.00 C ATOM 1698 O ILE A 102 -1.938 8.785 2.918 1.00 0.00 O ATOM 1699 CB ILE A 102 -4.362 9.349 0.790 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.567 10.530 0.222 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.840 9.510 0.424 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -2.179 10.051 -0.214 1.00 0.00 C ATOM 0 H ILE A 102 -5.712 10.804 2.200 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.408 8.279 2.680 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.980 8.421 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.096 10.964 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.473 11.314 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.944 9.553 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.405 8.661 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.225 10.431 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.614 10.891 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.650 9.638 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.283 9.282 -0.980 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.504 10.908 2.915 1.00 0.00 N ATOM 1715 CA LEU A 103 -1.136 11.319 3.338 1.00 0.00 C ATOM 1716 C LEU A 103 -0.882 10.860 4.775 1.00 0.00 C ATOM 1717 O LEU A 103 0.243 10.656 5.184 1.00 0.00 O ATOM 1718 CB LEU A 103 -1.137 12.846 3.250 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.494 13.273 1.826 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.678 14.790 1.778 1.00 0.00 C ATOM 1721 CD2 LEU A 103 -0.365 12.868 0.876 1.00 0.00 C ATOM 0 H LEU A 103 -3.167 11.672 2.783 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.355 10.881 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.855 13.261 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.157 13.238 3.524 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.420 12.785 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.932 15.094 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.481 15.081 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.752 15.279 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.618 13.172 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.560 13.357 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.232 11.787 0.909 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.926 10.692 5.542 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.752 10.241 6.952 1.00 0.00 C ATOM 1735 C ASN A 104 -1.793 8.712 7.023 1.00 0.00 C ATOM 1736 O ASN A 104 -1.370 8.114 7.992 1.00 0.00 O ATOM 1737 CB ASN A 104 -2.935 10.846 7.710 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.682 12.336 7.945 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.670 13.152 6.926 1.00 0.00 O flip ATOM 1740 ND2 ASN A 104 -2.496 12.763 9.067 1.00 0.00 N flip ATOM 0 H ASN A 104 -2.892 10.848 5.252 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.797 10.554 7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.854 10.708 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.070 10.334 8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.505 12.126 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.331 13.759 9.213 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.301 8.074 6.003 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.367 6.583 6.013 1.00 0.00 C ATOM 1749 C PHE A 105 -1.258 5.996 5.138 1.00 0.00 C ATOM 1750 O PHE A 105 -0.449 5.212 5.590 1.00 0.00 O ATOM 1751 CB PHE A 105 -3.738 6.238 5.434 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.267 4.994 6.107 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.419 3.899 6.322 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.603 4.935 6.518 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -3.908 2.748 6.950 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.093 3.784 7.147 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.246 2.690 7.363 1.00 0.00 C ATOM 0 H PHE A 105 -2.673 8.520 5.164 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.233 6.176 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.428 7.068 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.661 6.079 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.388 3.944 6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.257 5.778 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.254 1.904 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.124 3.740 7.466 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.624 1.802 7.848 1.00 0.00 H new ATOM 1767 N LEU A 106 -1.215 6.369 3.887 1.00 0.00 N ATOM 1768 CA LEU A 106 -0.156 5.828 2.990 1.00 0.00 C ATOM 1769 C LEU A 106 1.222 6.270 3.486 1.00 0.00 C ATOM 1770 O LEU A 106 2.240 5.767 3.055 1.00 0.00 O ATOM 1771 CB LEU A 106 -0.462 6.412 1.613 1.00 0.00 C ATOM 1772 CG LEU A 106 -1.414 5.473 0.874 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.600 5.134 1.780 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -1.921 6.157 -0.397 1.00 0.00 C ATOM 0 H LEU A 106 -1.865 7.022 3.450 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.145 4.738 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.911 7.400 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.459 6.538 1.044 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.887 4.557 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.280 4.464 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.239 4.646 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.127 6.050 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.600 5.487 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.448 7.073 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.076 6.399 -1.042 1.00 0.00 H new ATOM 1786 N MET A 107 1.256 7.194 4.407 1.00 0.00 N ATOM 1787 CA MET A 107 2.560 7.658 4.958 1.00 0.00 C ATOM 1788 C MET A 107 2.848 6.902 6.260 1.00 0.00 C ATOM 1789 O MET A 107 3.935 6.956 6.802 1.00 0.00 O ATOM 1790 CB MET A 107 2.368 9.152 5.228 1.00 0.00 C ATOM 1791 CG MET A 107 3.721 9.797 5.533 1.00 0.00 C ATOM 1792 SD MET A 107 3.528 10.988 6.881 1.00 0.00 S ATOM 1793 CE MET A 107 5.167 10.768 7.614 1.00 0.00 C ATOM 0 H MET A 107 0.433 7.649 4.803 1.00 0.00 H new ATOM 0 HA MET A 107 3.397 7.481 4.283 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.912 9.632 4.362 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.688 9.296 6.068 1.00 0.00 H new ATOM 0 HG2 MET A 107 4.447 9.032 5.810 1.00 0.00 H new ATOM 0 HG3 MET A 107 4.107 10.296 4.644 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.322 11.518 8.389 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.239 9.773 8.052 1.00 0.00 H new ATOM 0 HE3 MET A 107 5.929 10.881 6.842 1.00 0.00 H new ATOM 1803 N HIS A 108 1.869 6.195 6.757 1.00 0.00 N ATOM 1804 CA HIS A 108 2.045 5.419 8.016 1.00 0.00 C ATOM 1805 C HIS A 108 0.691 4.854 8.450 1.00 0.00 C ATOM 1806 O HIS A 108 -0.038 5.484 9.191 1.00 0.00 O ATOM 1807 CB HIS A 108 2.568 6.425 9.041 1.00 0.00 C ATOM 1808 CG HIS A 108 3.989 6.080 9.394 1.00 0.00 C ATOM 1809 ND1 HIS A 108 5.006 5.526 8.658 1.00 0.00 N flip ATOM 1810 CD2 HIS A 108 4.513 6.299 10.659 1.00 0.00 C flip ATOM 1811 CE1 HIS A 108 6.144 5.401 9.449 1.00 0.00 C flip ATOM 1812 NE2 HIS A 108 5.792 5.883 10.645 1.00 0.00 N flip ATOM 0 H HIS A 108 0.942 6.122 6.337 1.00 0.00 H new ATOM 0 HA HIS A 108 2.730 4.579 7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.517 7.435 8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.945 6.409 9.935 1.00 0.00 H new ATOM 0 HD1 HIS A 108 4.938 5.248 7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 108 3.990 6.726 11.502 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.104 5.001 9.159 1.00 0.00 H new ATOM 1820 N PRO A 109 0.395 3.682 7.957 1.00 0.00 N ATOM 1821 CA PRO A 109 -0.895 3.019 8.278 1.00 0.00 C ATOM 1822 C PRO A 109 -0.932 2.580 9.743 1.00 0.00 C ATOM 1823 O PRO A 109 -1.748 3.041 10.517 1.00 0.00 O ATOM 1824 CB PRO A 109 -0.922 1.817 7.337 1.00 0.00 C ATOM 1825 CG PRO A 109 0.513 1.544 7.016 1.00 0.00 C ATOM 1826 CD PRO A 109 1.228 2.868 7.067 1.00 0.00 C ATOM 0 HA PRO A 109 -1.757 3.674 8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.391 0.955 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.494 2.035 6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.943 0.844 7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.609 1.090 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.241 2.761 7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.311 3.316 6.077 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.057 1.695 10.136 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.047 1.232 11.553 1.00 0.00 C ATOM 1836 C LYS A 110 -1.303 0.405 11.849 1.00 0.00 C ATOM 1837 O LYS A 110 -2.050 0.146 10.920 1.00 0.00 O ATOM 1838 CB LYS A 110 -0.039 2.512 12.391 1.00 0.00 C ATOM 1839 CG LYS A 110 0.813 2.298 13.644 1.00 0.00 C ATOM 1840 CD LYS A 110 1.351 3.644 14.130 1.00 0.00 C ATOM 1841 CE LYS A 110 2.381 4.173 13.130 1.00 0.00 C ATOM 1842 NZ LYS A 110 2.895 5.432 13.738 1.00 0.00 N ATOM 0 H LYS A 110 0.652 1.272 9.537 1.00 0.00 H new ATOM 0 HA LYS A 110 0.811 0.597 11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.359 3.340 11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.057 2.781 12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.217 1.829 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.639 1.622 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.534 4.357 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.808 3.532 15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.185 3.454 12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.927 4.361 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.741 5.747 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.162 6.168 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.141 5.261 14.734 1.00 0.00 H new TER 1856 LYS A 110