USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=29 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 HD1:sc= -0.379 F(o=-2.5,f=-1) USER MOD Set 1.2: A 110 LYS NZ :NH3+ -145:sc= -0.621 (180deg=-1.45) USER MOD Set 2.1: A 42 THR OG1 : rot -76:sc= 1.73 USER MOD Set 2.2: A 45 SER OG : rot 101:sc= 0.968 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -8.23! C(o=-15!,f=-28!) USER MOD Set 3.2: A 49 ASN :FLIP amide:sc= -6.95! C(o=-16!,f=-15!) USER MOD Single : A 1 PHE N :NH3+ -163:sc= 1.45 (180deg=0.516) USER MOD Single : A 2 THR OG1 : rot -13:sc= 0.548 USER MOD Single : A 5 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.019) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -2.46! C(o=-3!,f=-2.5!) USER MOD Single : A 10 LYS NZ :NH3+ -130:sc= 0.77 (180deg=-0.25) USER MOD Single : A 12 CYS SG : rot 67:sc= -6.84! USER MOD Single : A 18 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.3!) USER MOD Single : A 22 SER OG : rot 66:sc= 0.0625 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 140:sc= -0.34 (180deg=-1.21) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00861 USER MOD Single : A 31 ASN : amide:sc= -8.82! C(o=-8.8!,f=-13!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 170:sc= 0.0945 USER MOD Single : A 38 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.71) 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.18 F(o=-3.4!,f=-1.2) USER MOD Single : A 54 SER OG : rot 179:sc= 1.04 USER MOD Single : A 60 LYS NZ :NH3+ -137:sc= -0.254 (180deg=-1.11) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.0031) 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+ -128:sc= 0 (180deg=-0.0917) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0196 F(o=-1.6,f=-0.02) USER MOD Single : A 79 MET CE :methyl -172:sc= 0 (180deg=-0.134) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.168 USER MOD Single : A 84 CYS SG : rot 180:sc= -1.62 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.165! C(o=-0.17!,f=-6.8!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 107 MET CE :methyl -123:sc= -8! (180deg=-18.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.419 -14.720 1.062 1.00 0.00 N ATOM 2 CA PHE A 1 10.950 -13.712 0.068 1.00 0.00 C ATOM 3 C PHE A 1 11.583 -12.348 0.359 1.00 0.00 C ATOM 4 O PHE A 1 12.545 -12.245 1.093 1.00 0.00 O ATOM 5 CB PHE A 1 9.432 -13.651 0.249 1.00 0.00 C ATOM 6 CG PHE A 1 9.107 -13.388 1.700 1.00 0.00 C ATOM 7 CD1 PHE A 1 9.005 -12.072 2.166 1.00 0.00 C ATOM 8 CD2 PHE A 1 8.906 -14.460 2.580 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.703 -11.827 3.510 1.00 0.00 C ATOM 10 CE2 PHE A 1 8.604 -14.214 3.925 1.00 0.00 C ATOM 11 CZ PHE A 1 8.502 -12.897 4.389 1.00 0.00 C ATOM 0 H1 PHE A 1 11.227 -15.677 0.703 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.441 -14.606 1.216 1.00 0.00 H new ATOM 0 H3 PHE A 1 10.916 -14.581 1.961 1.00 0.00 H new ATOM 0 HA PHE A 1 11.227 -13.978 -0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.012 -12.864 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.979 -14.589 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 1 9.159 -11.246 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.984 -15.476 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.625 -10.811 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 1 8.450 -15.040 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 1 8.268 -12.707 5.426 1.00 0.00 H new ATOM 23 N THR A 2 11.049 -11.300 -0.208 1.00 0.00 N ATOM 24 CA THR A 2 11.620 -9.945 0.040 1.00 0.00 C ATOM 25 C THR A 2 10.630 -8.864 -0.403 1.00 0.00 C ATOM 26 O THR A 2 10.704 -8.357 -1.505 1.00 0.00 O ATOM 27 CB THR A 2 12.891 -9.878 -0.806 1.00 0.00 C ATOM 28 OG1 THR A 2 13.858 -10.773 -0.277 1.00 0.00 O ATOM 29 CG2 THR A 2 13.444 -8.452 -0.784 1.00 0.00 C ATOM 0 H THR A 2 10.242 -11.324 -0.832 1.00 0.00 H new ATOM 0 HA THR A 2 11.827 -9.779 1.097 1.00 0.00 H new ATOM 0 HB THR A 2 12.661 -10.160 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.576 -11.071 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.351 -8.404 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.700 -7.767 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.676 -8.167 0.242 1.00 0.00 H new ATOM 37 N ILE A 3 9.707 -8.508 0.446 1.00 0.00 N ATOM 38 CA ILE A 3 8.716 -7.460 0.070 1.00 0.00 C ATOM 39 C ILE A 3 8.931 -6.208 0.925 1.00 0.00 C ATOM 40 O ILE A 3 9.063 -5.112 0.417 1.00 0.00 O ATOM 41 CB ILE A 3 7.351 -8.087 0.359 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.988 -9.052 -0.771 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.286 -6.991 0.449 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.542 -9.521 -0.597 1.00 0.00 C ATOM 0 H ILE A 3 9.595 -8.896 1.383 1.00 0.00 H new ATOM 0 HA ILE A 3 8.807 -7.152 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 3 7.395 -8.626 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.108 -8.560 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.663 -9.908 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.316 -7.443 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.542 -6.300 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.241 -6.449 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.283 -10.209 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.437 -10.029 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.874 -8.660 -0.626 1.00 0.00 H new ATOM 56 N ALA A 4 8.970 -6.361 2.220 1.00 0.00 N ATOM 57 CA ALA A 4 9.178 -5.179 3.104 1.00 0.00 C ATOM 58 C ALA A 4 9.894 -5.600 4.391 1.00 0.00 C ATOM 59 O ALA A 4 9.284 -6.082 5.324 1.00 0.00 O ATOM 60 CB ALA A 4 7.772 -4.662 3.413 1.00 0.00 C ATOM 0 H ALA A 4 8.867 -7.253 2.704 1.00 0.00 H new ATOM 0 HA ALA A 4 9.797 -4.415 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.840 -3.789 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.273 -4.386 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.199 -5.442 3.914 1.00 0.00 H new ATOM 66 N GLN A 5 11.187 -5.422 4.447 1.00 0.00 N ATOM 67 CA GLN A 5 11.943 -5.813 5.673 1.00 0.00 C ATOM 68 C GLN A 5 12.638 -4.590 6.278 1.00 0.00 C ATOM 69 O GLN A 5 13.604 -4.708 7.006 1.00 0.00 O ATOM 70 CB GLN A 5 12.975 -6.832 5.195 1.00 0.00 C ATOM 71 CG GLN A 5 12.415 -8.240 5.379 1.00 0.00 C ATOM 72 CD GLN A 5 13.109 -9.199 4.409 1.00 0.00 C ATOM 73 OE1 GLN A 5 14.317 -9.333 4.431 1.00 0.00 O ATOM 74 NE2 GLN A 5 12.392 -9.876 3.554 1.00 0.00 N ATOM 0 H GLN A 5 11.752 -5.023 3.698 1.00 0.00 H new ATOM 0 HA GLN A 5 11.292 -6.224 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.216 -6.658 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.902 -6.720 5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.568 -8.572 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.340 -8.241 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.378 -9.763 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.845 -10.518 2.904 1.00 0.00 H new ATOM 83 N GLY A 6 12.152 -3.419 5.979 1.00 0.00 N ATOM 84 CA GLY A 6 12.780 -2.185 6.533 1.00 0.00 C ATOM 85 C GLY A 6 11.757 -1.047 6.534 1.00 0.00 C ATOM 86 O GLY A 6 12.109 0.115 6.568 1.00 0.00 O ATOM 0 H GLY A 6 11.346 -3.261 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.136 -2.369 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.648 -1.907 5.936 1.00 0.00 H new ATOM 90 N LYS A 7 10.495 -1.374 6.495 1.00 0.00 N ATOM 91 CA LYS A 7 9.449 -0.310 6.492 1.00 0.00 C ATOM 92 C LYS A 7 8.923 -0.079 7.910 1.00 0.00 C ATOM 93 O LYS A 7 8.363 0.956 8.214 1.00 0.00 O ATOM 94 CB LYS A 7 8.338 -0.854 5.594 1.00 0.00 C ATOM 95 CG LYS A 7 8.759 -0.734 4.128 1.00 0.00 C ATOM 96 CD LYS A 7 8.940 0.742 3.767 1.00 0.00 C ATOM 97 CE LYS A 7 10.423 1.027 3.511 1.00 0.00 C ATOM 98 NZ LYS A 7 10.611 2.458 3.880 1.00 0.00 N ATOM 0 H LYS A 7 10.142 -2.330 6.465 1.00 0.00 H new ATOM 0 HA LYS A 7 9.834 0.646 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.135 -1.896 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.415 -0.300 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.689 -1.277 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.005 -1.187 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.354 0.985 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.572 1.373 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.059 0.378 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.684 0.851 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.604 2.727 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.998 3.053 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.362 2.594 4.880 1.00 0.00 H new ATOM 112 N GLY A 8 9.098 -1.035 8.780 1.00 0.00 N ATOM 113 CA GLY A 8 8.604 -0.870 10.176 1.00 0.00 C ATOM 114 C GLY A 8 7.434 -1.825 10.412 1.00 0.00 C ATOM 115 O GLY A 8 7.471 -2.666 11.288 1.00 0.00 O ATOM 0 H GLY A 8 9.561 -1.923 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.406 -1.076 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.288 0.160 10.343 1.00 0.00 H new ATOM 119 N GLN A 9 6.392 -1.703 9.634 1.00 0.00 N ATOM 120 CA GLN A 9 5.220 -2.606 9.812 1.00 0.00 C ATOM 121 C GLN A 9 4.520 -2.840 8.469 1.00 0.00 C ATOM 122 O GLN A 9 3.404 -3.318 8.423 1.00 0.00 O ATOM 123 CB GLN A 9 4.293 -1.866 10.779 1.00 0.00 C ATOM 124 CG GLN A 9 4.158 -0.403 10.346 1.00 0.00 C ATOM 125 CD GLN A 9 4.591 0.514 11.492 1.00 0.00 C ATOM 126 OE1 GLN A 9 4.185 0.257 12.705 1.00 0.00 O flip ATOM 127 NE2 GLN A 9 5.306 1.473 11.281 1.00 0.00 N flip ATOM 0 H GLN A 9 6.302 -1.018 8.884 1.00 0.00 H new ATOM 0 HA GLN A 9 5.509 -3.586 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.313 -2.343 10.795 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.690 -1.920 11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.772 -0.216 9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.126 -0.190 10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.623 1.674 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.589 2.078 12.052 1.00 0.00 H new ATOM 136 N LYS A 10 5.176 -2.504 7.385 1.00 0.00 N ATOM 137 CA LYS A 10 4.577 -2.693 6.023 1.00 0.00 C ATOM 138 C LYS A 10 3.049 -2.549 6.061 1.00 0.00 C ATOM 139 O LYS A 10 2.517 -1.655 6.684 1.00 0.00 O ATOM 140 CB LYS A 10 4.992 -4.105 5.594 1.00 0.00 C ATOM 141 CG LYS A 10 4.234 -5.149 6.416 1.00 0.00 C ATOM 142 CD LYS A 10 5.150 -5.703 7.509 1.00 0.00 C ATOM 143 CE LYS A 10 6.242 -6.566 6.872 1.00 0.00 C ATOM 144 NZ LYS A 10 7.515 -5.847 7.159 1.00 0.00 N ATOM 0 H LYS A 10 6.113 -2.102 7.385 1.00 0.00 H new ATOM 0 HA LYS A 10 4.927 -1.938 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.786 -4.246 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.066 -4.234 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.347 -4.701 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.892 -5.957 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.600 -4.884 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.571 -6.295 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.251 -7.570 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.083 -6.676 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.062 -5.745 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.302 -4.905 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.071 -6.388 7.852 1.00 0.00 H new ATOM 158 N LEU A 11 2.338 -3.420 5.397 1.00 0.00 N ATOM 159 CA LEU A 11 0.853 -3.318 5.399 1.00 0.00 C ATOM 160 C LEU A 11 0.233 -4.557 6.056 1.00 0.00 C ATOM 161 O LEU A 11 -0.943 -4.589 6.355 1.00 0.00 O ATOM 162 CB LEU A 11 0.469 -3.237 3.922 1.00 0.00 C ATOM 163 CG LEU A 11 -0.957 -2.708 3.795 1.00 0.00 C ATOM 164 CD1 LEU A 11 -1.071 -1.369 4.526 1.00 0.00 C ATOM 165 CD2 LEU A 11 -1.297 -2.513 2.317 1.00 0.00 C ATOM 0 H LEU A 11 2.721 -4.195 4.855 1.00 0.00 H new ATOM 0 HA LEU A 11 0.495 -2.457 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.160 -2.582 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.545 -4.222 3.461 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.651 -3.423 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.089 -0.991 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.828 -1.508 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.378 -0.653 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.315 -2.135 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.603 -1.798 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.215 -3.467 1.796 1.00 0.00 H new ATOM 177 N CYS A 12 1.017 -5.577 6.284 1.00 0.00 N ATOM 178 CA CYS A 12 0.471 -6.809 6.922 1.00 0.00 C ATOM 179 C CYS A 12 0.651 -6.736 8.440 1.00 0.00 C ATOM 180 O CYS A 12 -0.194 -7.173 9.197 1.00 0.00 O ATOM 181 CB CYS A 12 1.288 -7.962 6.336 1.00 0.00 C ATOM 182 SG CYS A 12 2.972 -7.916 6.999 1.00 0.00 S ATOM 0 H CYS A 12 2.011 -5.610 6.056 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.595 -6.935 6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.817 -8.914 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.313 -7.887 5.249 1.00 0.00 H new ATOM 0 HG CYS A 12 2.944 -8.176 8.272 1.00 0.00 H new ATOM 188 N GLU A 13 1.741 -6.179 8.894 1.00 0.00 N ATOM 189 CA GLU A 13 1.968 -6.073 10.364 1.00 0.00 C ATOM 190 C GLU A 13 0.772 -5.379 11.023 1.00 0.00 C ATOM 191 O GLU A 13 0.012 -5.986 11.751 1.00 0.00 O ATOM 192 CB GLU A 13 3.231 -5.226 10.514 1.00 0.00 C ATOM 193 CG GLU A 13 4.157 -5.866 11.550 1.00 0.00 C ATOM 194 CD GLU A 13 3.720 -5.448 12.956 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.712 -4.258 13.223 1.00 0.00 O ATOM 196 OE2 GLU A 13 3.403 -6.325 13.741 1.00 0.00 O ATOM 0 H GLU A 13 2.484 -5.793 8.311 1.00 0.00 H new ATOM 0 HA GLU A 13 2.079 -7.047 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.743 -5.145 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.968 -4.214 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.128 -6.952 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.187 -5.558 11.372 1.00 0.00 H new ATOM 203 N ILE A 14 0.598 -4.112 10.767 1.00 0.00 N ATOM 204 CA ILE A 14 -0.553 -3.379 11.370 1.00 0.00 C ATOM 205 C ILE A 14 -1.821 -4.235 11.277 1.00 0.00 C ATOM 206 O ILE A 14 -2.500 -4.251 10.271 1.00 0.00 O ATOM 207 CB ILE A 14 -0.689 -2.112 10.528 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.758 -2.498 9.047 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.525 -1.213 10.775 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.515 -1.268 8.170 1.00 0.00 C ATOM 0 H ILE A 14 1.203 -3.552 10.166 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.403 -3.150 12.425 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.597 -1.576 10.804 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.013 -3.263 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.733 -2.928 8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.434 -0.306 10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.572 -0.948 11.831 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.434 -1.744 10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.566 -1.554 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.276 -0.516 8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.471 -0.856 8.386 1.00 0.00 H new ATOM 222 N GLU A 15 -2.131 -4.953 12.320 1.00 0.00 N ATOM 223 CA GLU A 15 -3.343 -5.825 12.304 1.00 0.00 C ATOM 224 C GLU A 15 -4.607 -5.006 12.025 1.00 0.00 C ATOM 225 O GLU A 15 -5.513 -5.462 11.356 1.00 0.00 O ATOM 226 CB GLU A 15 -3.399 -6.443 13.702 1.00 0.00 C ATOM 227 CG GLU A 15 -2.210 -7.387 13.889 1.00 0.00 C ATOM 228 CD GLU A 15 -2.598 -8.520 14.840 1.00 0.00 C ATOM 229 OE1 GLU A 15 -3.154 -8.225 15.885 1.00 0.00 O ATOM 230 OE2 GLU A 15 -2.334 -9.664 14.507 1.00 0.00 O ATOM 0 H GLU A 15 -1.596 -4.975 13.188 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.290 -6.580 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.378 -5.659 14.459 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.334 -6.988 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.903 -7.796 12.926 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.357 -6.839 14.289 1.00 0.00 H new ATOM 237 N ARG A 16 -4.679 -3.805 12.528 1.00 0.00 N ATOM 238 CA ARG A 16 -5.894 -2.974 12.278 1.00 0.00 C ATOM 239 C ARG A 16 -6.035 -2.694 10.781 1.00 0.00 C ATOM 240 O ARG A 16 -7.014 -3.058 10.157 1.00 0.00 O ATOM 241 CB ARG A 16 -5.654 -1.676 13.051 1.00 0.00 C ATOM 242 CG ARG A 16 -6.207 -1.816 14.471 1.00 0.00 C ATOM 243 CD ARG A 16 -7.521 -1.042 14.588 1.00 0.00 C ATOM 244 NE ARG A 16 -7.881 -1.112 16.032 1.00 0.00 N ATOM 245 CZ ARG A 16 -9.110 -0.884 16.409 1.00 0.00 C ATOM 246 NH1 ARG A 16 -10.071 -1.669 16.006 1.00 0.00 N ATOM 247 NH2 ARG A 16 -9.376 0.125 17.193 1.00 0.00 N ATOM 0 H ARG A 16 -3.956 -3.364 13.097 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.811 -3.470 12.597 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.588 -1.453 13.085 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.138 -0.843 12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.370 -2.868 14.707 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.484 -1.436 15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.402 -0.009 14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.298 -1.486 13.965 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.168 -1.338 16.725 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.862 -2.460 15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.031 -1.492 16.300 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.624 0.736 17.511 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.336 0.303 17.487 1.00 0.00 H new ATOM 261 N ILE A 17 -5.059 -2.054 10.201 1.00 0.00 N ATOM 262 CA ILE A 17 -5.122 -1.749 8.745 1.00 0.00 C ATOM 263 C ILE A 17 -5.045 -3.048 7.936 1.00 0.00 C ATOM 264 O ILE A 17 -5.763 -3.237 6.973 1.00 0.00 O ATOM 265 CB ILE A 17 -3.902 -0.865 8.484 1.00 0.00 C ATOM 266 CG1 ILE A 17 -4.075 0.463 9.227 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.766 -0.595 6.984 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.735 0.890 9.829 1.00 0.00 C ATOM 0 H ILE A 17 -4.217 -1.728 10.675 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.049 -1.255 8.454 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.005 -1.373 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.439 1.230 8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.822 0.357 10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.895 0.035 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.645 -1.540 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.661 -0.088 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.858 1.835 10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.390 0.127 10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.001 1.013 9.033 1.00 0.00 H new ATOM 280 N HIS A 18 -4.185 -3.949 8.327 1.00 0.00 N ATOM 281 CA HIS A 18 -4.067 -5.239 7.586 1.00 0.00 C ATOM 282 C HIS A 18 -5.375 -6.026 7.693 1.00 0.00 C ATOM 283 O HIS A 18 -5.791 -6.688 6.762 1.00 0.00 O ATOM 284 CB HIS A 18 -2.934 -5.992 8.282 1.00 0.00 C ATOM 285 CG HIS A 18 -2.857 -7.397 7.747 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.888 -7.675 6.389 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.747 -8.613 8.376 1.00 0.00 C ATOM 288 CE1 HIS A 18 -2.796 -9.011 6.247 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.708 -9.629 7.427 1.00 0.00 N ATOM 0 H HIS A 18 -3.559 -3.849 9.126 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.867 -5.091 6.525 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.987 -5.477 8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.104 -6.011 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.698 -8.758 9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.794 -9.520 5.295 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.629 -10.632 7.596 1.00 0.00 H new ATOM 297 N PHE A 19 -6.030 -5.958 8.821 1.00 0.00 N ATOM 298 CA PHE A 19 -7.309 -6.700 8.984 1.00 0.00 C ATOM 299 C PHE A 19 -8.337 -6.199 7.964 1.00 0.00 C ATOM 300 O PHE A 19 -8.670 -6.885 7.017 1.00 0.00 O ATOM 301 CB PHE A 19 -7.760 -6.389 10.417 1.00 0.00 C ATOM 302 CG PHE A 19 -9.252 -6.590 10.536 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.876 -7.618 9.823 1.00 0.00 C ATOM 304 CD2 PHE A 19 -10.009 -5.744 11.352 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.258 -7.801 9.927 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.392 -5.926 11.457 1.00 0.00 C ATOM 307 CZ PHE A 19 -12.017 -6.955 10.742 1.00 0.00 C ATOM 0 H PHE A 19 -5.733 -5.420 9.635 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.200 -7.772 8.818 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.239 -7.037 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.500 -5.363 10.676 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.291 -8.270 9.192 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.526 -4.950 11.902 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.740 -8.596 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.977 -5.274 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.085 -7.095 10.820 1.00 0.00 H new ATOM 317 N PHE A 20 -8.844 -5.010 8.155 1.00 0.00 N ATOM 318 CA PHE A 20 -9.853 -4.468 7.200 1.00 0.00 C ATOM 319 C PHE A 20 -9.449 -4.792 5.760 1.00 0.00 C ATOM 320 O PHE A 20 -10.280 -4.892 4.879 1.00 0.00 O ATOM 321 CB PHE A 20 -9.844 -2.957 7.432 1.00 0.00 C ATOM 322 CG PHE A 20 -11.250 -2.484 7.710 1.00 0.00 C ATOM 323 CD1 PHE A 20 -12.172 -2.382 6.663 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.629 -2.146 9.014 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.476 -1.942 6.920 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.933 -1.706 9.271 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.857 -1.604 8.224 1.00 0.00 C ATOM 0 H PHE A 20 -8.603 -4.392 8.930 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.842 -4.900 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.193 -2.711 8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.443 -2.446 6.557 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.878 -2.643 5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.916 -2.225 9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.188 -1.863 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.226 -1.445 10.277 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.863 -1.265 8.422 1.00 0.00 H new ATOM 337 N LEU A 21 -8.179 -4.954 5.515 1.00 0.00 N ATOM 338 CA LEU A 21 -7.723 -5.271 4.131 1.00 0.00 C ATOM 339 C LEU A 21 -7.857 -6.771 3.859 1.00 0.00 C ATOM 340 O LEU A 21 -8.118 -7.188 2.747 1.00 0.00 O ATOM 341 CB LEU A 21 -6.255 -4.846 4.090 1.00 0.00 C ATOM 342 CG LEU A 21 -6.115 -3.585 3.239 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.765 -3.817 1.874 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.813 -2.418 3.942 1.00 0.00 C ATOM 0 H LEU A 21 -7.437 -4.881 6.211 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.316 -4.759 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.891 -4.658 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.644 -5.648 3.675 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.059 -3.352 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.666 -2.918 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.272 -4.650 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.821 -4.049 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.714 -1.517 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.869 -2.652 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.353 -2.253 4.916 1.00 0.00 H new ATOM 356 N SER A 22 -7.685 -7.585 4.864 1.00 0.00 N ATOM 357 CA SER A 22 -7.808 -9.057 4.658 1.00 0.00 C ATOM 358 C SER A 22 -9.078 -9.372 3.861 1.00 0.00 C ATOM 359 O SER A 22 -9.180 -10.398 3.220 1.00 0.00 O ATOM 360 CB SER A 22 -7.895 -9.648 6.063 1.00 0.00 C ATOM 361 OG SER A 22 -6.583 -9.803 6.590 1.00 0.00 O ATOM 0 H SER A 22 -7.465 -7.296 5.817 1.00 0.00 H new ATOM 0 HA SER A 22 -6.969 -9.469 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.484 -8.996 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.404 -10.612 6.034 1.00 0.00 H new ATOM 0 HG SER A 22 -6.173 -8.921 6.711 1.00 0.00 H new ATOM 367 N LYS A 23 -10.045 -8.494 3.897 1.00 0.00 N ATOM 368 CA LYS A 23 -11.308 -8.742 3.140 1.00 0.00 C ATOM 369 C LYS A 23 -11.284 -7.991 1.806 1.00 0.00 C ATOM 370 O LYS A 23 -12.161 -7.203 1.511 1.00 0.00 O ATOM 371 CB LYS A 23 -12.421 -8.200 4.038 1.00 0.00 C ATOM 372 CG LYS A 23 -12.413 -8.947 5.373 1.00 0.00 C ATOM 373 CD LYS A 23 -13.665 -8.577 6.170 1.00 0.00 C ATOM 374 CE LYS A 23 -14.274 -9.841 6.782 1.00 0.00 C ATOM 375 NZ LYS A 23 -15.634 -9.433 7.230 1.00 0.00 N ATOM 0 H LYS A 23 -10.016 -7.617 4.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.448 -9.798 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.279 -7.132 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.388 -8.320 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.383 -10.023 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.518 -8.691 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.411 -7.866 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.391 -8.089 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.324 -10.649 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.675 -10.203 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.116 -10.247 7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.554 -8.667 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.183 -9.099 6.412 1.00 0.00 H new ATOM 389 N LYS A 24 -10.288 -8.227 0.997 1.00 0.00 N ATOM 390 CA LYS A 24 -10.210 -7.525 -0.317 1.00 0.00 C ATOM 391 C LYS A 24 -11.181 -8.155 -1.318 1.00 0.00 C ATOM 392 O LYS A 24 -12.157 -8.774 -0.946 1.00 0.00 O ATOM 393 CB LYS A 24 -8.766 -7.715 -0.779 1.00 0.00 C ATOM 394 CG LYS A 24 -8.081 -6.353 -0.888 1.00 0.00 C ATOM 395 CD LYS A 24 -8.923 -5.426 -1.766 1.00 0.00 C ATOM 396 CE LYS A 24 -9.135 -4.092 -1.048 1.00 0.00 C ATOM 397 NZ LYS A 24 -8.646 -3.060 -2.004 1.00 0.00 N ATOM 0 H LYS A 24 -9.524 -8.876 1.188 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.480 -6.472 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.228 -8.349 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.746 -8.222 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.955 -5.917 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.084 -6.469 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.424 -5.261 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.885 -5.890 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.186 -3.938 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.581 -4.056 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.283 -2.238 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.687 -2.762 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.626 -3.458 -2.965 1.00 0.00 H new ATOM 411 N LYS A 25 -10.920 -8.000 -2.588 1.00 0.00 N ATOM 412 CA LYS A 25 -11.825 -8.589 -3.616 1.00 0.00 C ATOM 413 C LYS A 25 -11.084 -8.759 -4.945 1.00 0.00 C ATOM 414 O LYS A 25 -10.191 -8.003 -5.270 1.00 0.00 O ATOM 415 CB LYS A 25 -12.966 -7.584 -3.766 1.00 0.00 C ATOM 416 CG LYS A 25 -13.892 -7.673 -2.551 1.00 0.00 C ATOM 417 CD LYS A 25 -15.312 -7.277 -2.959 1.00 0.00 C ATOM 418 CE LYS A 25 -15.791 -6.121 -2.079 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.924 -5.509 -2.828 1.00 0.00 N ATOM 0 H LYS A 25 -10.118 -7.490 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.186 -9.576 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.565 -6.574 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.526 -7.788 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.887 -8.687 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.534 -7.016 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.332 -6.982 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.983 -8.130 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.112 -6.477 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.994 -5.398 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.306 -4.707 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.587 -5.173 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.671 -6.219 -2.969 1.00 0.00 H new ATOM 433 N THR A 26 -11.451 -9.746 -5.713 1.00 0.00 N ATOM 434 CA THR A 26 -10.775 -9.971 -7.022 1.00 0.00 C ATOM 435 C THR A 26 -10.736 -8.671 -7.833 1.00 0.00 C ATOM 436 O THR A 26 -9.683 -8.145 -8.132 1.00 0.00 O ATOM 437 CB THR A 26 -11.633 -11.019 -7.733 1.00 0.00 C ATOM 438 OG1 THR A 26 -11.722 -12.183 -6.923 1.00 0.00 O ATOM 439 CG2 THR A 26 -10.999 -11.377 -9.078 1.00 0.00 C ATOM 0 H THR A 26 -12.193 -10.410 -5.490 1.00 0.00 H new ATOM 0 HA THR A 26 -9.742 -10.299 -6.901 1.00 0.00 H new ATOM 0 HB THR A 26 -12.631 -10.616 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.273 -12.855 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.612 -12.124 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.933 -10.483 -9.698 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.000 -11.780 -8.913 1.00 0.00 H new ATOM 447 N ASP A 27 -11.878 -8.152 -8.192 1.00 0.00 N ATOM 448 CA ASP A 27 -11.909 -6.889 -8.987 1.00 0.00 C ATOM 449 C ASP A 27 -11.004 -5.833 -8.344 1.00 0.00 C ATOM 450 O ASP A 27 -10.111 -5.299 -8.974 1.00 0.00 O ATOM 451 CB ASP A 27 -13.369 -6.439 -8.953 1.00 0.00 C ATOM 452 CG ASP A 27 -13.575 -5.295 -9.948 1.00 0.00 C ATOM 453 OD1 ASP A 27 -12.680 -5.062 -10.745 1.00 0.00 O ATOM 454 OD2 ASP A 27 -14.623 -4.673 -9.897 1.00 0.00 O ATOM 0 H ASP A 27 -12.792 -8.547 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.549 -7.033 -10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.024 -7.274 -9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.637 -6.113 -7.948 1.00 0.00 H new ATOM 459 N GLU A 28 -11.224 -5.530 -7.092 1.00 0.00 N ATOM 460 CA GLU A 28 -10.372 -4.511 -6.416 1.00 0.00 C ATOM 461 C GLU A 28 -8.895 -4.868 -6.594 1.00 0.00 C ATOM 462 O GLU A 28 -8.118 -4.098 -7.123 1.00 0.00 O ATOM 463 CB GLU A 28 -10.769 -4.577 -4.942 1.00 0.00 C ATOM 464 CG GLU A 28 -11.533 -3.307 -4.561 1.00 0.00 C ATOM 465 CD GLU A 28 -12.624 -3.653 -3.548 1.00 0.00 C ATOM 466 OE1 GLU A 28 -12.305 -4.292 -2.558 1.00 0.00 O ATOM 467 OE2 GLU A 28 -13.760 -3.275 -3.778 1.00 0.00 O ATOM 0 H GLU A 28 -11.954 -5.943 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.511 -3.511 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.389 -5.455 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.880 -4.680 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.849 -2.572 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.976 -2.856 -5.449 1.00 0.00 H new ATOM 474 N LEU A 29 -8.505 -6.036 -6.166 1.00 0.00 N ATOM 475 CA LEU A 29 -7.082 -6.450 -6.320 1.00 0.00 C ATOM 476 C LEU A 29 -6.635 -6.243 -7.768 1.00 0.00 C ATOM 477 O LEU A 29 -5.467 -6.068 -8.052 1.00 0.00 O ATOM 478 CB LEU A 29 -7.071 -7.938 -5.972 1.00 0.00 C ATOM 479 CG LEU A 29 -6.137 -8.185 -4.788 1.00 0.00 C ATOM 480 CD1 LEU A 29 -4.778 -7.538 -5.063 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.748 -7.573 -3.525 1.00 0.00 C ATOM 0 H LEU A 29 -9.110 -6.723 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.408 -5.873 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.080 -8.271 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.743 -8.520 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.004 -9.258 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.113 -7.715 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.344 -7.972 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.908 -6.465 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.084 -7.747 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.880 -6.500 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.716 -8.035 -3.328 1.00 0.00 H new ATOM 493 N ARG A 30 -7.562 -6.268 -8.687 1.00 0.00 N ATOM 494 CA ARG A 30 -7.207 -6.079 -10.121 1.00 0.00 C ATOM 495 C ARG A 30 -6.646 -4.675 -10.355 1.00 0.00 C ATOM 496 O ARG A 30 -5.553 -4.507 -10.859 1.00 0.00 O ATOM 497 CB ARG A 30 -8.523 -6.259 -10.877 1.00 0.00 C ATOM 498 CG ARG A 30 -8.274 -7.041 -12.167 1.00 0.00 C ATOM 499 CD ARG A 30 -9.234 -8.232 -12.235 1.00 0.00 C ATOM 500 NE ARG A 30 -8.381 -9.429 -11.990 1.00 0.00 N ATOM 501 CZ ARG A 30 -8.906 -10.513 -11.489 1.00 0.00 C ATOM 502 NH1 ARG A 30 -10.145 -10.824 -11.758 1.00 0.00 N ATOM 503 NH2 ARG A 30 -8.192 -11.288 -10.719 1.00 0.00 N ATOM 0 H ARG A 30 -8.555 -6.412 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.442 -6.782 -10.450 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.243 -6.789 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.957 -5.286 -11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.419 -6.393 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.242 -7.390 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.021 -8.148 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.724 -8.289 -13.207 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.386 -9.401 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.703 -10.219 -12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.555 -11.672 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.224 -11.046 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.602 -12.136 -10.327 1.00 0.00 H new ATOM 517 N ASN A 31 -7.390 -3.662 -10.000 1.00 0.00 N ATOM 518 CA ASN A 31 -6.899 -2.269 -10.212 1.00 0.00 C ATOM 519 C ASN A 31 -5.684 -1.988 -9.323 1.00 0.00 C ATOM 520 O ASN A 31 -4.759 -1.310 -9.722 1.00 0.00 O ATOM 521 CB ASN A 31 -8.071 -1.368 -9.823 1.00 0.00 C ATOM 522 CG ASN A 31 -8.516 -1.691 -8.397 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.418 -2.478 -8.194 1.00 0.00 O ATOM 524 ND2 ASN A 31 -7.919 -1.110 -7.392 1.00 0.00 N ATOM 0 H ASN A 31 -8.314 -3.738 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.581 -2.100 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.777 -0.321 -9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.900 -1.514 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.210 -1.317 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.161 -0.449 -7.562 1.00 0.00 H new ATOM 531 N LEU A 32 -5.679 -2.498 -8.123 1.00 0.00 N ATOM 532 CA LEU A 32 -4.521 -2.252 -7.215 1.00 0.00 C ATOM 533 C LEU A 32 -3.297 -3.038 -7.694 1.00 0.00 C ATOM 534 O LEU A 32 -2.344 -2.476 -8.199 1.00 0.00 O ATOM 535 CB LEU A 32 -4.975 -2.749 -5.843 1.00 0.00 C ATOM 536 CG LEU A 32 -5.625 -1.598 -5.072 1.00 0.00 C ATOM 537 CD1 LEU A 32 -5.976 -2.064 -3.658 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.648 -0.423 -4.992 1.00 0.00 C ATOM 0 H LEU A 32 -6.424 -3.074 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.234 -1.201 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.683 -3.569 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.123 -3.139 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.533 -1.283 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.439 -1.244 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.671 -2.902 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.068 -2.379 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.110 0.398 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.741 -0.739 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.397 -0.090 -5.999 1.00 0.00 H new ATOM 550 N HIS A 33 -3.313 -4.333 -7.538 1.00 0.00 N ATOM 551 CA HIS A 33 -2.149 -5.154 -7.982 1.00 0.00 C ATOM 552 C HIS A 33 -1.684 -4.716 -9.375 1.00 0.00 C ATOM 553 O HIS A 33 -0.542 -4.898 -9.743 1.00 0.00 O ATOM 554 CB HIS A 33 -2.671 -6.591 -8.019 1.00 0.00 C ATOM 555 CG HIS A 33 -1.586 -7.530 -7.566 1.00 0.00 C ATOM 556 ND1 HIS A 33 -0.766 -8.198 -8.460 1.00 0.00 N ATOM 557 CD2 HIS A 33 -1.175 -7.921 -6.316 1.00 0.00 C ATOM 558 CE1 HIS A 33 0.090 -8.950 -7.743 1.00 0.00 C ATOM 559 NE2 HIS A 33 -0.116 -8.818 -6.430 1.00 0.00 N ATOM 0 H HIS A 33 -4.082 -4.859 -7.122 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.293 -5.046 -7.317 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.544 -6.689 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.990 -6.847 -9.029 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.804 -8.132 -9.477 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.607 -7.584 -5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.850 -9.583 -8.177 1.00 0.00 H new ATOM 567 N LYS A 34 -2.562 -4.144 -10.155 1.00 0.00 N ATOM 568 CA LYS A 34 -2.167 -3.703 -11.525 1.00 0.00 C ATOM 569 C LYS A 34 -1.332 -2.421 -11.456 1.00 0.00 C ATOM 570 O LYS A 34 -0.381 -2.252 -12.192 1.00 0.00 O ATOM 571 CB LYS A 34 -3.486 -3.449 -12.254 1.00 0.00 C ATOM 572 CG LYS A 34 -3.217 -2.655 -13.535 1.00 0.00 C ATOM 573 CD LYS A 34 -3.405 -1.161 -13.261 1.00 0.00 C ATOM 574 CE LYS A 34 -4.883 -0.871 -12.987 1.00 0.00 C ATOM 575 NZ LYS A 34 -5.021 0.604 -13.147 1.00 0.00 N ATOM 0 H LYS A 34 -3.534 -3.963 -9.904 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.555 -4.447 -12.036 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.969 -4.396 -12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.170 -2.898 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.203 -2.846 -13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.895 -2.979 -14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.800 -0.859 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.062 -0.578 -14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.527 -1.406 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.168 -1.188 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.008 0.881 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.402 1.087 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.749 0.875 -14.113 1.00 0.00 H new ATOM 589 N LEU A 35 -1.678 -1.519 -10.583 1.00 0.00 N ATOM 590 CA LEU A 35 -0.898 -0.253 -10.474 1.00 0.00 C ATOM 591 C LEU A 35 -0.035 -0.280 -9.211 1.00 0.00 C ATOM 592 O LEU A 35 1.145 0.007 -9.245 1.00 0.00 O ATOM 593 CB LEU A 35 -1.951 0.853 -10.385 1.00 0.00 C ATOM 594 CG LEU A 35 -1.304 2.136 -9.858 1.00 0.00 C ATOM 595 CD1 LEU A 35 -1.665 3.309 -10.774 1.00 0.00 C ATOM 596 CD2 LEU A 35 -1.814 2.422 -8.444 1.00 0.00 C ATOM 0 H LEU A 35 -2.466 -1.602 -9.940 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.224 -0.103 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.389 1.032 -11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.762 0.545 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.221 2.011 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.203 4.221 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.302 3.109 -11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.748 3.433 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.353 3.336 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.897 2.544 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.556 1.590 -7.789 1.00 0.00 H new ATOM 608 N LEU A 36 -0.617 -0.627 -8.100 1.00 0.00 N ATOM 609 CA LEU A 36 0.161 -0.679 -6.831 1.00 0.00 C ATOM 610 C LEU A 36 1.358 -1.625 -6.977 1.00 0.00 C ATOM 611 O LEU A 36 2.489 -1.248 -6.746 1.00 0.00 O ATOM 612 CB LEU A 36 -0.823 -1.209 -5.788 1.00 0.00 C ATOM 613 CG LEU A 36 -0.223 -1.055 -4.390 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.612 0.307 -3.810 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.760 -2.165 -3.484 1.00 0.00 C ATOM 0 H LEU A 36 -1.602 -0.878 -8.014 1.00 0.00 H new ATOM 0 HA LEU A 36 0.565 0.295 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.765 -0.664 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.047 -2.257 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 36 0.863 -1.124 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.183 0.414 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.233 1.099 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.698 0.379 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.334 -2.058 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.846 -2.093 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.483 -3.136 -3.895 1.00 0.00 H new ATOM 627 N TYR A 37 1.116 -2.854 -7.348 1.00 0.00 N ATOM 628 CA TYR A 37 2.243 -3.823 -7.492 1.00 0.00 C ATOM 629 C TYR A 37 2.631 -4.000 -8.962 1.00 0.00 C ATOM 630 O TYR A 37 3.556 -4.720 -9.282 1.00 0.00 O ATOM 631 CB TYR A 37 1.707 -5.135 -6.921 1.00 0.00 C ATOM 632 CG TYR A 37 2.626 -5.616 -5.826 1.00 0.00 C ATOM 633 CD1 TYR A 37 3.992 -5.787 -6.083 1.00 0.00 C ATOM 634 CD2 TYR A 37 2.113 -5.893 -4.554 1.00 0.00 C ATOM 635 CE1 TYR A 37 4.845 -6.234 -5.067 1.00 0.00 C ATOM 636 CE2 TYR A 37 2.965 -6.340 -3.537 1.00 0.00 C ATOM 637 CZ TYR A 37 4.332 -6.511 -3.794 1.00 0.00 C ATOM 638 OH TYR A 37 5.171 -6.951 -2.792 1.00 0.00 O ATOM 0 H TYR A 37 0.191 -3.229 -7.557 1.00 0.00 H new ATOM 0 HA TYR A 37 3.140 -3.480 -6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.700 -4.990 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.637 -5.886 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.387 -5.574 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.059 -5.762 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.899 -6.365 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.569 -6.553 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 37 4.692 -6.944 -1.937 1.00 0.00 H new ATOM 648 N ASN A 38 1.938 -3.360 -9.862 1.00 0.00 N ATOM 649 CA ASN A 38 2.283 -3.512 -11.306 1.00 0.00 C ATOM 650 C ASN A 38 2.436 -4.995 -11.656 1.00 0.00 C ATOM 651 O ASN A 38 3.101 -5.356 -12.606 1.00 0.00 O ATOM 652 CB ASN A 38 3.618 -2.782 -11.474 1.00 0.00 C ATOM 653 CG ASN A 38 4.045 -2.835 -12.942 1.00 0.00 C ATOM 654 OD1 ASN A 38 3.447 -2.195 -13.784 1.00 0.00 O ATOM 655 ND2 ASN A 38 5.062 -3.576 -13.287 1.00 0.00 N ATOM 0 H ASN A 38 1.152 -2.741 -9.664 1.00 0.00 H new ATOM 0 HA ASN A 38 1.512 -3.106 -11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.522 -1.746 -11.149 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.379 -3.244 -10.845 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.355 -3.618 -14.263 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.564 -4.113 -12.580 1.00 0.00 H new ATOM 662 N ARG A 39 1.824 -5.858 -10.891 1.00 0.00 N ATOM 663 CA ARG A 39 1.932 -7.320 -11.173 1.00 0.00 C ATOM 664 C ARG A 39 0.540 -7.915 -11.413 1.00 0.00 C ATOM 665 O ARG A 39 -0.458 -7.302 -11.089 1.00 0.00 O ATOM 666 CB ARG A 39 2.559 -7.914 -9.909 1.00 0.00 C ATOM 667 CG ARG A 39 3.781 -8.752 -10.289 1.00 0.00 C ATOM 668 CD ARG A 39 5.037 -8.150 -9.654 1.00 0.00 C ATOM 669 NE ARG A 39 6.172 -8.844 -10.323 1.00 0.00 N ATOM 670 CZ ARG A 39 7.204 -8.161 -10.737 1.00 0.00 C ATOM 671 NH1 ARG A 39 7.811 -7.339 -9.925 1.00 0.00 N ATOM 672 NH2 ARG A 39 7.630 -8.301 -11.962 1.00 0.00 N ATOM 0 H ARG A 39 1.253 -5.614 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 39 2.524 -7.531 -12.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.850 -7.116 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.830 -8.532 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.648 -9.780 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.889 -8.784 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.083 -7.073 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.053 -8.314 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 39 6.143 -9.855 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.479 -7.230 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.618 -6.805 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.156 -8.944 -12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.437 -7.767 -12.286 1.00 0.00 H new ATOM 686 N PRO A 40 0.520 -9.098 -11.972 1.00 0.00 N ATOM 687 CA PRO A 40 -0.766 -9.783 -12.254 1.00 0.00 C ATOM 688 C PRO A 40 -1.392 -10.284 -10.950 1.00 0.00 C ATOM 689 O PRO A 40 -0.899 -11.201 -10.324 1.00 0.00 O ATOM 690 CB PRO A 40 -0.363 -10.947 -13.154 1.00 0.00 C ATOM 691 CG PRO A 40 1.073 -11.209 -12.831 1.00 0.00 C ATOM 692 CD PRO A 40 1.676 -9.900 -12.390 1.00 0.00 C ATOM 0 HA PRO A 40 -1.509 -9.136 -12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.978 -11.826 -12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.491 -10.694 -14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.160 -11.957 -12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.598 -11.601 -13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.381 -10.041 -11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.223 -9.419 -13.201 1.00 0.00 H new ATOM 700 N GLY A 41 -2.471 -9.683 -10.534 1.00 0.00 N ATOM 701 CA GLY A 41 -3.130 -10.110 -9.268 1.00 0.00 C ATOM 702 C GLY A 41 -3.252 -11.636 -9.223 1.00 0.00 C ATOM 703 O GLY A 41 -4.001 -12.232 -9.970 1.00 0.00 O ATOM 0 H GLY A 41 -2.927 -8.910 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.553 -9.759 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.118 -9.657 -9.193 1.00 0.00 H new ATOM 707 N THR A 42 -2.530 -12.270 -8.337 1.00 0.00 N ATOM 708 CA THR A 42 -2.611 -13.753 -8.223 1.00 0.00 C ATOM 709 C THR A 42 -2.902 -14.133 -6.769 1.00 0.00 C ATOM 710 O THR A 42 -2.423 -13.499 -5.852 1.00 0.00 O ATOM 711 CB THR A 42 -1.232 -14.261 -8.649 1.00 0.00 C ATOM 712 OG1 THR A 42 -0.271 -13.231 -8.459 1.00 0.00 O ATOM 713 CG2 THR A 42 -1.266 -14.665 -10.124 1.00 0.00 C ATOM 0 H THR A 42 -1.886 -11.821 -7.686 1.00 0.00 H new ATOM 0 HA THR A 42 -3.402 -14.182 -8.838 1.00 0.00 H new ATOM 0 HB THR A 42 -0.962 -15.127 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.355 -12.569 -9.177 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.283 -15.026 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.003 -15.455 -10.268 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.537 -13.802 -10.732 1.00 0.00 H new ATOM 721 N VAL A 43 -3.689 -15.154 -6.555 1.00 0.00 N ATOM 722 CA VAL A 43 -4.022 -15.572 -5.157 1.00 0.00 C ATOM 723 C VAL A 43 -2.813 -15.394 -4.234 1.00 0.00 C ATOM 724 O VAL A 43 -2.916 -14.829 -3.159 1.00 0.00 O ATOM 725 CB VAL A 43 -4.394 -17.051 -5.271 1.00 0.00 C ATOM 726 CG1 VAL A 43 -4.585 -17.638 -3.871 1.00 0.00 C ATOM 727 CG2 VAL A 43 -5.695 -17.188 -6.064 1.00 0.00 C ATOM 0 H VAL A 43 -4.118 -15.719 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.827 -14.973 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.597 -17.589 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.850 -18.692 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.658 -17.539 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.383 -17.101 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.962 -18.242 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.492 -16.651 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.559 -16.769 -7.061 1.00 0.00 H new ATOM 737 N SER A 44 -1.667 -15.861 -4.650 1.00 0.00 N ATOM 738 CA SER A 44 -0.449 -15.718 -3.802 1.00 0.00 C ATOM 739 C SER A 44 -0.142 -14.237 -3.572 1.00 0.00 C ATOM 740 O SER A 44 0.147 -13.814 -2.470 1.00 0.00 O ATOM 741 CB SER A 44 0.671 -16.379 -4.604 1.00 0.00 C ATOM 742 OG SER A 44 1.925 -16.025 -4.038 1.00 0.00 O ATOM 0 H SER A 44 -1.522 -16.336 -5.541 1.00 0.00 H new ATOM 0 HA SER A 44 -0.571 -16.175 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.549 -17.462 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.626 -16.060 -5.645 1.00 0.00 H new ATOM 0 HG SER A 44 2.646 -16.449 -4.549 1.00 0.00 H new ATOM 748 N SER A 45 -0.218 -13.446 -4.605 1.00 0.00 N ATOM 749 CA SER A 45 0.054 -11.990 -4.452 1.00 0.00 C ATOM 750 C SER A 45 -1.197 -11.306 -3.907 1.00 0.00 C ATOM 751 O SER A 45 -1.176 -10.699 -2.858 1.00 0.00 O ATOM 752 CB SER A 45 0.375 -11.492 -5.861 1.00 0.00 C ATOM 753 OG SER A 45 1.036 -12.523 -6.584 1.00 0.00 O ATOM 0 H SER A 45 -0.457 -13.745 -5.550 1.00 0.00 H new ATOM 0 HA SER A 45 0.872 -11.780 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.542 -11.202 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.006 -10.605 -5.811 1.00 0.00 H new ATOM 0 HG SER A 45 0.399 -12.960 -7.187 1.00 0.00 H new ATOM 759 N LEU A 46 -2.283 -11.418 -4.626 1.00 0.00 N ATOM 760 CA LEU A 46 -3.574 -10.803 -4.196 1.00 0.00 C ATOM 761 C LEU A 46 -3.644 -10.661 -2.670 1.00 0.00 C ATOM 762 O LEU A 46 -3.631 -9.568 -2.137 1.00 0.00 O ATOM 763 CB LEU A 46 -4.636 -11.791 -4.677 1.00 0.00 C ATOM 764 CG LEU A 46 -4.755 -11.720 -6.200 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.481 -12.962 -6.718 1.00 0.00 C ATOM 766 CD2 LEU A 46 -5.546 -10.472 -6.590 1.00 0.00 C ATOM 0 H LEU A 46 -2.330 -11.921 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.703 -9.800 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.371 -12.803 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.597 -11.560 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.758 -11.674 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.564 -12.909 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.919 -13.854 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.478 -13.010 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.632 -10.420 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.542 -10.520 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.030 -9.585 -6.224 1.00 0.00 H new ATOM 778 N LYS A 47 -3.720 -11.759 -1.967 1.00 0.00 N ATOM 779 CA LYS A 47 -3.800 -11.685 -0.478 1.00 0.00 C ATOM 780 C LYS A 47 -2.458 -11.258 0.126 1.00 0.00 C ATOM 781 O LYS A 47 -2.406 -10.439 1.022 1.00 0.00 O ATOM 782 CB LYS A 47 -4.157 -13.102 -0.032 1.00 0.00 C ATOM 783 CG LYS A 47 -4.831 -13.048 1.338 1.00 0.00 C ATOM 784 CD LYS A 47 -6.113 -13.883 1.309 1.00 0.00 C ATOM 785 CE LYS A 47 -5.784 -15.336 1.657 1.00 0.00 C ATOM 786 NZ LYS A 47 -7.039 -16.091 1.379 1.00 0.00 N ATOM 0 H LYS A 47 -3.730 -12.701 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.534 -10.949 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.823 -13.567 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.258 -13.717 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.154 -13.428 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.062 -12.016 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.836 -13.483 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.572 -13.829 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.957 -15.709 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.487 -15.435 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.893 -17.098 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.807 -15.718 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.293 -15.984 0.376 1.00 0.00 H new ATOM 800 N LYS A 48 -1.375 -11.814 -0.343 1.00 0.00 N ATOM 801 CA LYS A 48 -0.046 -11.443 0.224 1.00 0.00 C ATOM 802 C LYS A 48 0.368 -10.037 -0.225 1.00 0.00 C ATOM 803 O LYS A 48 0.421 -9.117 0.567 1.00 0.00 O ATOM 804 CB LYS A 48 0.925 -12.488 -0.326 1.00 0.00 C ATOM 805 CG LYS A 48 2.166 -12.545 0.567 1.00 0.00 C ATOM 806 CD LYS A 48 3.171 -13.538 -0.018 1.00 0.00 C ATOM 807 CE LYS A 48 4.476 -13.467 0.779 1.00 0.00 C ATOM 808 NZ LYS A 48 5.459 -14.244 -0.026 1.00 0.00 N ATOM 0 H LYS A 48 -1.352 -12.507 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.061 -11.427 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.444 -13.465 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.209 -12.235 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.618 -11.556 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.887 -12.846 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.764 -14.549 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.359 -13.307 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.802 -12.435 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.355 -13.894 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.381 -14.242 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.125 -15.223 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.558 -13.810 -0.966 1.00 0.00 H new ATOM 822 N ASN A 49 0.669 -9.867 -1.485 1.00 0.00 N ATOM 823 CA ASN A 49 1.086 -8.523 -1.982 1.00 0.00 C ATOM 824 C ASN A 49 0.232 -7.425 -1.341 1.00 0.00 C ATOM 825 O ASN A 49 0.746 -6.463 -0.808 1.00 0.00 O ATOM 826 CB ASN A 49 0.862 -8.565 -3.494 1.00 0.00 C ATOM 827 CG ASN A 49 2.142 -9.037 -4.186 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.460 -8.543 -5.352 1.00 0.00 O flip ATOM 829 ND2 ASN A 49 2.860 -9.864 -3.661 1.00 0.00 N flip ATOM 0 H ASN A 49 0.644 -10.602 -2.192 1.00 0.00 H new ATOM 0 HA ASN A 49 2.123 -8.300 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.038 -9.238 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.582 -7.577 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.612 -10.250 -2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.711 -10.172 -4.131 1.00 0.00 H new ATOM 836 N VAL A 50 -1.066 -7.561 -1.383 1.00 0.00 N ATOM 837 CA VAL A 50 -1.934 -6.518 -0.767 1.00 0.00 C ATOM 838 C VAL A 50 -1.503 -6.275 0.682 1.00 0.00 C ATOM 839 O VAL A 50 -1.018 -5.217 1.029 1.00 0.00 O ATOM 840 CB VAL A 50 -3.349 -7.094 -0.819 1.00 0.00 C ATOM 841 CG1 VAL A 50 -4.258 -6.308 0.130 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.890 -6.984 -2.245 1.00 0.00 C ATOM 0 H VAL A 50 -1.559 -8.343 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.870 -5.562 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.325 -8.141 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.267 -6.720 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.874 -6.383 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.282 -5.261 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.899 -7.394 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.912 -5.937 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.245 -7.543 -2.923 1.00 0.00 H new ATOM 852 N GLY A 51 -1.676 -7.252 1.530 1.00 0.00 N ATOM 853 CA GLY A 51 -1.277 -7.088 2.956 1.00 0.00 C ATOM 854 C GLY A 51 0.223 -6.794 3.043 1.00 0.00 C ATOM 855 O GLY A 51 0.695 -6.223 4.002 1.00 0.00 O ATOM 0 H GLY A 51 -2.078 -8.160 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.843 -6.275 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.513 -7.993 3.516 1.00 0.00 H new ATOM 859 N GLN A 52 0.978 -7.179 2.053 1.00 0.00 N ATOM 860 CA GLN A 52 2.445 -6.914 2.092 1.00 0.00 C ATOM 861 C GLN A 52 2.891 -6.220 0.801 1.00 0.00 C ATOM 862 O GLN A 52 3.485 -6.826 -0.068 1.00 0.00 O ATOM 863 CB GLN A 52 3.097 -8.293 2.217 1.00 0.00 C ATOM 864 CG GLN A 52 3.653 -8.467 3.631 1.00 0.00 C ATOM 865 CD GLN A 52 5.181 -8.393 3.594 1.00 0.00 C ATOM 866 OE1 GLN A 52 5.764 -7.225 3.577 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 5.850 -9.407 3.578 1.00 0.00 N flip ATOM 0 H GLN A 52 0.645 -7.665 1.220 1.00 0.00 H new ATOM 0 HA GLN A 52 2.724 -6.258 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.367 -9.073 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.898 -8.396 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.257 -7.691 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.335 -9.425 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.394 -10.319 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.868 -9.346 3.551 1.00 0.00 H new ATOM 876 N PHE A 53 2.608 -4.951 0.669 1.00 0.00 N ATOM 877 CA PHE A 53 3.016 -4.220 -0.564 1.00 0.00 C ATOM 878 C PHE A 53 4.318 -3.455 -0.316 1.00 0.00 C ATOM 879 O PHE A 53 4.958 -2.984 -1.236 1.00 0.00 O ATOM 880 CB PHE A 53 1.867 -3.250 -0.846 1.00 0.00 C ATOM 881 CG PHE A 53 2.315 -2.207 -1.841 1.00 0.00 C ATOM 882 CD1 PHE A 53 2.890 -2.599 -3.056 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.154 -0.848 -1.550 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.304 -1.631 -3.979 1.00 0.00 C ATOM 885 CE2 PHE A 53 2.568 0.120 -2.473 1.00 0.00 C ATOM 886 CZ PHE A 53 3.143 -0.272 -3.687 1.00 0.00 C ATOM 0 H PHE A 53 2.112 -4.390 1.362 1.00 0.00 H new ATOM 0 HA PHE A 53 3.197 -4.891 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.007 -3.794 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.548 -2.770 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.014 -3.648 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.710 -0.546 -0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.748 -1.933 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.444 1.169 -2.248 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.463 0.475 -4.399 1.00 0.00 H new ATOM 896 N SER A 54 4.715 -3.328 0.922 1.00 0.00 N ATOM 897 CA SER A 54 5.976 -2.594 1.227 1.00 0.00 C ATOM 898 C SER A 54 5.935 -1.196 0.607 1.00 0.00 C ATOM 899 O SER A 54 6.575 -0.933 -0.392 1.00 0.00 O ATOM 900 CB SER A 54 7.083 -3.430 0.589 1.00 0.00 C ATOM 901 OG SER A 54 8.347 -2.881 0.939 1.00 0.00 O ATOM 0 H SER A 54 4.221 -3.700 1.733 1.00 0.00 H new ATOM 0 HA SER A 54 6.130 -2.463 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.016 -4.464 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.966 -3.443 -0.495 1.00 0.00 H new ATOM 0 HG SER A 54 9.061 -3.427 0.548 1.00 0.00 H new ATOM 907 N GLY A 55 5.188 -0.297 1.188 1.00 0.00 N ATOM 908 CA GLY A 55 5.115 1.078 0.621 1.00 0.00 C ATOM 909 C GLY A 55 4.225 1.963 1.496 1.00 0.00 C ATOM 910 O GLY A 55 4.461 3.146 1.632 1.00 0.00 O ATOM 0 H GLY A 55 4.628 -0.454 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.115 1.506 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.718 1.040 -0.394 1.00 0.00 H new ATOM 914 N PHE A 56 3.194 1.411 2.079 1.00 0.00 N ATOM 915 CA PHE A 56 2.295 2.249 2.926 1.00 0.00 C ATOM 916 C PHE A 56 3.102 3.013 3.997 1.00 0.00 C ATOM 917 O PHE A 56 3.324 4.198 3.847 1.00 0.00 O ATOM 918 CB PHE A 56 1.293 1.272 3.544 1.00 0.00 C ATOM 919 CG PHE A 56 0.158 1.045 2.579 1.00 0.00 C ATOM 920 CD1 PHE A 56 0.368 0.280 1.426 1.00 0.00 C ATOM 921 CD2 PHE A 56 -1.102 1.595 2.836 1.00 0.00 C ATOM 922 CE1 PHE A 56 -0.683 0.067 0.528 1.00 0.00 C ATOM 923 CE2 PHE A 56 -2.154 1.382 1.938 1.00 0.00 C ATOM 924 CZ PHE A 56 -1.944 0.617 0.785 1.00 0.00 C ATOM 0 H PHE A 56 2.937 0.427 2.007 1.00 0.00 H new ATOM 0 HA PHE A 56 1.782 3.018 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.784 0.327 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.912 1.670 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.341 -0.146 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.263 2.184 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.522 -0.521 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.127 1.808 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.756 0.451 0.093 1.00 0.00 H new ATOM 934 N PRO A 57 3.518 2.337 5.050 1.00 0.00 N ATOM 935 CA PRO A 57 4.295 3.025 6.115 1.00 0.00 C ATOM 936 C PRO A 57 5.723 3.316 5.641 1.00 0.00 C ATOM 937 O PRO A 57 6.686 2.925 6.272 1.00 0.00 O ATOM 938 CB PRO A 57 4.307 2.016 7.260 1.00 0.00 C ATOM 939 CG PRO A 57 4.139 0.688 6.601 1.00 0.00 C ATOM 940 CD PRO A 57 3.318 0.913 5.357 1.00 0.00 C ATOM 0 HA PRO A 57 3.866 3.986 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.241 2.064 7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.501 2.211 7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.108 0.257 6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.641 -0.014 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.653 0.277 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.266 0.686 5.527 1.00 0.00 H new ATOM 948 N PHE A 58 5.871 4.000 4.539 1.00 0.00 N ATOM 949 CA PHE A 58 7.242 4.312 4.036 1.00 0.00 C ATOM 950 C PHE A 58 7.781 5.588 4.699 1.00 0.00 C ATOM 951 O PHE A 58 7.664 5.771 5.894 1.00 0.00 O ATOM 952 CB PHE A 58 7.087 4.483 2.520 1.00 0.00 C ATOM 953 CG PHE A 58 6.353 5.768 2.183 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.626 6.465 3.162 1.00 0.00 C ATOM 955 CD2 PHE A 58 6.402 6.259 0.872 1.00 0.00 C ATOM 956 CE1 PHE A 58 4.956 7.647 2.825 1.00 0.00 C ATOM 957 CE2 PHE A 58 5.732 7.442 0.539 1.00 0.00 C ATOM 958 CZ PHE A 58 5.009 8.135 1.515 1.00 0.00 C ATOM 0 H PHE A 58 5.106 4.356 3.966 1.00 0.00 H new ATOM 0 HA PHE A 58 7.959 3.525 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.070 4.489 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.543 3.632 2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.584 6.089 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.958 5.724 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.397 8.183 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.773 7.820 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.491 9.047 1.257 1.00 0.00 H new ATOM 968 N GLU A 59 8.371 6.473 3.937 1.00 0.00 N ATOM 969 CA GLU A 59 8.913 7.728 4.540 1.00 0.00 C ATOM 970 C GLU A 59 8.127 8.944 4.040 1.00 0.00 C ATOM 971 O GLU A 59 7.201 8.823 3.262 1.00 0.00 O ATOM 972 CB GLU A 59 10.363 7.803 4.061 1.00 0.00 C ATOM 973 CG GLU A 59 11.300 7.868 5.270 1.00 0.00 C ATOM 974 CD GLU A 59 12.484 6.927 5.048 1.00 0.00 C ATOM 975 OE1 GLU A 59 12.350 5.753 5.354 1.00 0.00 O ATOM 976 OE2 GLU A 59 13.508 7.395 4.575 1.00 0.00 O ATOM 0 H GLU A 59 8.501 6.382 2.929 1.00 0.00 H new ATOM 0 HA GLU A 59 8.837 7.725 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.600 6.932 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.504 8.682 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.655 8.889 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.763 7.586 6.176 1.00 0.00 H new ATOM 983 N LYS A 60 8.492 10.117 4.484 1.00 0.00 N ATOM 984 CA LYS A 60 7.769 11.345 4.040 1.00 0.00 C ATOM 985 C LYS A 60 8.764 12.484 3.802 1.00 0.00 C ATOM 986 O LYS A 60 9.907 12.416 4.208 1.00 0.00 O ATOM 987 CB LYS A 60 6.830 11.691 5.194 1.00 0.00 C ATOM 988 CG LYS A 60 5.413 11.895 4.658 1.00 0.00 C ATOM 989 CD LYS A 60 4.400 11.637 5.776 1.00 0.00 C ATOM 990 CE LYS A 60 4.320 12.866 6.685 1.00 0.00 C ATOM 991 NZ LYS A 60 5.295 12.602 7.779 1.00 0.00 N ATOM 0 H LYS A 60 9.260 10.278 5.135 1.00 0.00 H new ATOM 0 HA LYS A 60 7.228 11.191 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.838 10.892 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.173 12.595 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.300 12.910 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.228 11.219 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.420 11.421 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.696 10.762 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.574 13.776 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.312 13.001 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.876 12.875 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.532 11.589 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.159 13.157 7.615 1.00 0.00 H new ATOM 1005 N GLY A 61 8.338 13.531 3.151 1.00 0.00 N ATOM 1006 CA GLY A 61 9.261 14.673 2.895 1.00 0.00 C ATOM 1007 C GLY A 61 10.224 14.315 1.761 1.00 0.00 C ATOM 1008 O GLY A 61 11.311 14.848 1.665 1.00 0.00 O ATOM 0 H GLY A 61 7.393 13.645 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.689 15.563 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.821 14.910 3.799 1.00 0.00 H new ATOM 1012 N SER A 62 9.836 13.415 0.900 1.00 0.00 N ATOM 1013 CA SER A 62 10.735 13.026 -0.227 1.00 0.00 C ATOM 1014 C SER A 62 10.028 13.218 -1.571 1.00 0.00 C ATOM 1015 O SER A 62 8.846 13.489 -1.630 1.00 0.00 O ATOM 1016 CB SER A 62 11.049 11.549 0.006 1.00 0.00 C ATOM 1017 OG SER A 62 12.355 11.429 0.553 1.00 0.00 O ATOM 0 H SER A 62 8.938 12.932 0.926 1.00 0.00 H new ATOM 0 HA SER A 62 11.637 13.637 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.316 11.112 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.983 10.999 -0.932 1.00 0.00 H new ATOM 0 HG SER A 62 12.560 10.483 0.706 1.00 0.00 H new ATOM 1023 N VAL A 63 10.744 13.077 -2.651 1.00 0.00 N ATOM 1024 CA VAL A 63 10.112 13.245 -3.991 1.00 0.00 C ATOM 1025 C VAL A 63 8.861 12.371 -4.090 1.00 0.00 C ATOM 1026 O VAL A 63 7.824 12.801 -4.556 1.00 0.00 O ATOM 1027 CB VAL A 63 11.171 12.781 -4.990 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.547 12.678 -6.383 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.321 13.790 -5.021 1.00 0.00 C ATOM 0 H VAL A 63 11.739 12.853 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 63 9.801 14.273 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 63 11.552 11.805 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.302 12.347 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.728 11.960 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.166 13.654 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.076 13.459 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.941 14.766 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.766 13.865 -4.029 1.00 0.00 H new ATOM 1039 N GLN A 64 8.955 11.144 -3.658 1.00 0.00 N ATOM 1040 CA GLN A 64 7.777 10.233 -3.728 1.00 0.00 C ATOM 1041 C GLN A 64 6.634 10.770 -2.859 1.00 0.00 C ATOM 1042 O GLN A 64 5.486 10.763 -3.255 1.00 0.00 O ATOM 1043 CB GLN A 64 8.281 8.895 -3.183 1.00 0.00 C ATOM 1044 CG GLN A 64 8.456 8.995 -1.667 1.00 0.00 C ATOM 1045 CD GLN A 64 9.058 7.693 -1.132 1.00 0.00 C ATOM 1046 OE1 GLN A 64 10.024 7.715 -0.395 1.00 0.00 O ATOM 1047 NE2 GLN A 64 8.523 6.552 -1.471 1.00 0.00 N ATOM 0 H GLN A 64 9.798 10.732 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 64 7.386 10.142 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.574 8.102 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.229 8.633 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.105 9.836 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.494 9.185 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.712 6.533 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.916 5.680 -1.117 1.00 0.00 H new ATOM 1056 N TYR A 65 6.940 11.237 -1.680 1.00 0.00 N ATOM 1057 CA TYR A 65 5.871 11.774 -0.792 1.00 0.00 C ATOM 1058 C TYR A 65 4.948 12.694 -1.592 1.00 0.00 C ATOM 1059 O TYR A 65 3.819 12.354 -1.883 1.00 0.00 O ATOM 1060 CB TYR A 65 6.626 12.539 0.299 1.00 0.00 C ATOM 1061 CG TYR A 65 5.733 13.576 0.934 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.644 13.183 1.720 1.00 0.00 C ATOM 1063 CD2 TYR A 65 6.002 14.934 0.740 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.824 14.151 2.314 1.00 0.00 C ATOM 1065 CE2 TYR A 65 5.185 15.902 1.331 1.00 0.00 C ATOM 1066 CZ TYR A 65 4.095 15.511 2.119 1.00 0.00 C ATOM 1067 OH TYR A 65 3.288 16.465 2.704 1.00 0.00 O ATOM 0 H TYR A 65 7.883 11.270 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 65 5.235 10.998 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.982 11.843 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.505 13.021 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.436 12.134 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.842 15.236 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.984 13.849 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.394 16.951 1.180 1.00 0.00 H new ATOM 0 HH TYR A 65 3.615 17.359 2.469 1.00 0.00 H new ATOM 1077 N LYS A 66 5.422 13.847 -1.967 1.00 0.00 N ATOM 1078 CA LYS A 66 4.566 14.768 -2.767 1.00 0.00 C ATOM 1079 C LYS A 66 3.982 14.000 -3.954 1.00 0.00 C ATOM 1080 O LYS A 66 2.805 14.092 -4.260 1.00 0.00 O ATOM 1081 CB LYS A 66 5.506 15.875 -3.245 1.00 0.00 C ATOM 1082 CG LYS A 66 5.912 16.750 -2.056 1.00 0.00 C ATOM 1083 CD LYS A 66 7.433 16.917 -2.038 1.00 0.00 C ATOM 1084 CE LYS A 66 7.788 18.395 -2.222 1.00 0.00 C ATOM 1085 NZ LYS A 66 8.555 18.760 -0.999 1.00 0.00 N ATOM 0 H LYS A 66 6.359 14.192 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 66 3.732 15.177 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.391 15.440 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.014 16.482 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.430 17.725 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.575 16.295 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.838 16.550 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.884 16.322 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.383 18.549 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.892 19.007 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.835 19.760 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.961 18.609 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.406 18.166 -0.933 1.00 0.00 H new ATOM 1099 N LYS A 67 4.802 13.231 -4.618 1.00 0.00 N ATOM 1100 CA LYS A 67 4.312 12.439 -5.779 1.00 0.00 C ATOM 1101 C LYS A 67 2.977 11.786 -5.425 1.00 0.00 C ATOM 1102 O LYS A 67 1.965 12.036 -6.052 1.00 0.00 O ATOM 1103 CB LYS A 67 5.386 11.376 -6.018 1.00 0.00 C ATOM 1104 CG LYS A 67 6.045 11.611 -7.378 1.00 0.00 C ATOM 1105 CD LYS A 67 4.968 11.664 -8.464 1.00 0.00 C ATOM 1106 CE LYS A 67 5.612 11.437 -9.834 1.00 0.00 C ATOM 1107 NZ LYS A 67 4.650 10.570 -10.570 1.00 0.00 N ATOM 0 H LYS A 67 5.793 13.118 -4.405 1.00 0.00 H new ATOM 0 HA LYS A 67 4.149 13.051 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.135 11.417 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.942 10.381 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.609 12.544 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.755 10.812 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.210 10.904 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.463 12.630 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.773 12.380 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.585 10.955 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.021 10.369 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.521 9.677 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.735 11.058 -10.651 1.00 0.00 H new ATOM 1121 N LYS A 68 2.966 10.950 -4.423 1.00 0.00 N ATOM 1122 CA LYS A 68 1.697 10.286 -4.032 1.00 0.00 C ATOM 1123 C LYS A 68 0.588 11.327 -3.906 1.00 0.00 C ATOM 1124 O LYS A 68 -0.489 11.150 -4.418 1.00 0.00 O ATOM 1125 CB LYS A 68 1.987 9.635 -2.680 1.00 0.00 C ATOM 1126 CG LYS A 68 2.280 8.148 -2.887 1.00 0.00 C ATOM 1127 CD LYS A 68 3.415 7.987 -3.900 1.00 0.00 C ATOM 1128 CE LYS A 68 3.381 6.574 -4.488 1.00 0.00 C ATOM 1129 NZ LYS A 68 3.890 5.693 -3.401 1.00 0.00 N ATOM 0 H LYS A 68 3.780 10.700 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 68 1.365 9.552 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.838 10.122 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.134 9.760 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.556 7.686 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.386 7.636 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.314 8.725 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.375 8.168 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.370 6.293 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.005 6.502 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.660 5.098 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.247 6.278 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.119 5.086 -3.056 1.00 0.00 H new ATOM 1143 N GLU A 69 0.841 12.415 -3.234 1.00 0.00 N ATOM 1144 CA GLU A 69 -0.215 13.463 -3.087 1.00 0.00 C ATOM 1145 C GLU A 69 -0.999 13.627 -4.397 1.00 0.00 C ATOM 1146 O GLU A 69 -2.214 13.681 -4.403 1.00 0.00 O ATOM 1147 CB GLU A 69 0.546 14.748 -2.752 1.00 0.00 C ATOM 1148 CG GLU A 69 -0.273 15.586 -1.767 1.00 0.00 C ATOM 1149 CD GLU A 69 0.166 17.050 -1.849 1.00 0.00 C ATOM 1150 OE1 GLU A 69 -0.026 17.648 -2.895 1.00 0.00 O ATOM 1151 OE2 GLU A 69 0.686 17.548 -0.863 1.00 0.00 O ATOM 0 H GLU A 69 1.730 12.626 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.943 13.205 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.517 14.506 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.735 15.319 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.335 15.501 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.135 15.211 -0.753 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.316 13.709 -5.508 1.00 0.00 N ATOM 1159 CA GLU A 70 -1.032 13.877 -6.811 1.00 0.00 C ATOM 1160 C GLU A 70 -1.738 12.580 -7.230 1.00 0.00 C ATOM 1161 O GLU A 70 -2.955 12.522 -7.322 1.00 0.00 O ATOM 1162 CB GLU A 70 0.062 14.239 -7.816 1.00 0.00 C ATOM 1163 CG GLU A 70 -0.247 15.600 -8.442 1.00 0.00 C ATOM 1164 CD GLU A 70 1.002 16.482 -8.396 1.00 0.00 C ATOM 1165 OE1 GLU A 70 1.563 16.624 -7.322 1.00 0.00 O ATOM 1166 OE2 GLU A 70 1.375 17.002 -9.435 1.00 0.00 O ATOM 0 H GLU A 70 0.701 13.667 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.809 14.639 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.032 14.268 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.124 13.476 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.575 15.471 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.064 16.081 -7.905 1.00 0.00 H new ATOM 1173 N MET A 71 -0.992 11.541 -7.496 1.00 0.00 N ATOM 1174 CA MET A 71 -1.627 10.259 -7.917 1.00 0.00 C ATOM 1175 C MET A 71 -2.696 9.850 -6.902 1.00 0.00 C ATOM 1176 O MET A 71 -3.770 9.409 -7.258 1.00 0.00 O ATOM 1177 CB MET A 71 -0.488 9.239 -7.942 1.00 0.00 C ATOM 1178 CG MET A 71 0.485 9.590 -9.070 1.00 0.00 C ATOM 1179 SD MET A 71 -0.158 8.960 -10.641 1.00 0.00 S ATOM 1180 CE MET A 71 0.757 10.077 -11.730 1.00 0.00 C ATOM 0 H MET A 71 0.026 11.525 -7.440 1.00 0.00 H new ATOM 0 HA MET A 71 -2.119 10.337 -8.886 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.033 9.236 -6.985 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.887 8.236 -8.090 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.618 10.670 -9.127 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.465 9.158 -8.867 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.506 9.859 -12.768 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.490 11.109 -11.501 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.827 9.937 -11.578 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.411 10.009 -5.642 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.407 9.645 -4.598 1.00 0.00 C ATOM 1192 C LEU A 72 -4.659 10.500 -4.773 1.00 0.00 C ATOM 1193 O LEU A 72 -5.738 10.107 -4.392 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.732 9.946 -3.257 1.00 0.00 C ATOM 1195 CG LEU A 72 -1.763 8.814 -2.879 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -2.546 7.671 -2.232 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -1.037 8.292 -4.125 1.00 0.00 C ATOM 0 H LEU A 72 -1.528 10.377 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.709 8.600 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.192 10.891 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.488 10.061 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.024 9.202 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.861 6.867 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.048 8.035 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.289 7.295 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.355 7.491 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.767 7.910 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.472 9.104 -4.584 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.524 11.665 -5.353 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.718 12.538 -5.564 1.00 0.00 C ATOM 1211 C LYS A 73 -6.655 11.887 -6.587 1.00 0.00 C ATOM 1212 O LYS A 73 -7.747 11.452 -6.263 1.00 0.00 O ATOM 1213 CB LYS A 73 -5.157 13.854 -6.107 1.00 0.00 C ATOM 1214 CG LYS A 73 -6.259 14.916 -6.120 1.00 0.00 C ATOM 1215 CD LYS A 73 -5.867 16.040 -7.082 1.00 0.00 C ATOM 1216 CE LYS A 73 -7.048 16.995 -7.268 1.00 0.00 C ATOM 1217 NZ LYS A 73 -6.858 17.579 -8.625 1.00 0.00 N ATOM 0 H LYS A 73 -3.641 12.049 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.293 12.693 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.324 14.188 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.768 13.707 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.205 14.471 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.407 15.315 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.006 16.583 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.570 15.622 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.999 16.467 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.054 17.770 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.630 18.246 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.948 18.081 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.863 16.818 -9.334 1.00 0.00 H new ATOM 1231 N LYS A 74 -6.237 11.794 -7.821 1.00 0.00 N ATOM 1232 CA LYS A 74 -7.114 11.145 -8.837 1.00 0.00 C ATOM 1233 C LYS A 74 -7.651 9.837 -8.254 1.00 0.00 C ATOM 1234 O LYS A 74 -8.843 9.570 -8.253 1.00 0.00 O ATOM 1235 CB LYS A 74 -6.206 10.873 -10.038 1.00 0.00 C ATOM 1236 CG LYS A 74 -5.907 12.188 -10.759 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.026 11.914 -11.980 1.00 0.00 C ATOM 1238 CE LYS A 74 -5.900 11.442 -13.144 1.00 0.00 C ATOM 1239 NZ LYS A 74 -6.159 12.666 -13.954 1.00 0.00 N ATOM 0 H LYS A 74 -5.339 12.134 -8.166 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.968 11.759 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.277 10.408 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.688 10.173 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.837 12.665 -11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.404 12.879 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.484 12.817 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.280 11.156 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.393 10.679 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.831 11.002 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.753 12.422 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.649 13.372 -13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.256 13.059 -14.288 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.774 9.028 -7.731 1.00 0.00 N ATOM 1254 CA PHE A 75 -7.214 7.750 -7.119 1.00 0.00 C ATOM 1255 C PHE A 75 -8.013 8.048 -5.850 1.00 0.00 C ATOM 1256 O PHE A 75 -8.822 7.259 -5.413 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.923 7.005 -6.784 1.00 0.00 C ATOM 1258 CG PHE A 75 -5.571 6.078 -7.925 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.428 6.588 -9.222 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -5.384 4.712 -7.687 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.101 5.732 -10.278 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -5.056 3.856 -8.744 1.00 0.00 C ATOM 1263 CZ PHE A 75 -4.914 4.365 -10.040 1.00 0.00 C ATOM 0 H PHE A 75 -5.769 9.199 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.854 7.162 -7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.114 7.715 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.047 6.436 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.570 7.643 -9.406 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.493 4.318 -6.687 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.993 6.125 -11.278 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.912 2.802 -8.560 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.660 3.704 -10.856 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.804 9.189 -5.256 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.569 9.515 -4.026 1.00 0.00 C ATOM 1275 C ARG A 76 -10.045 9.248 -4.290 1.00 0.00 C ATOM 1276 O ARG A 76 -10.698 8.543 -3.560 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.287 11.005 -3.733 1.00 0.00 C ATOM 1278 CG ARG A 76 -9.456 11.903 -4.172 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.260 13.309 -3.602 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.309 14.138 -4.258 1.00 0.00 N ATOM 1281 CZ ARG A 76 -9.968 15.130 -5.037 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -8.897 15.828 -4.775 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -10.700 15.425 -6.075 1.00 0.00 N ATOM 0 H ARG A 76 -7.144 9.902 -5.566 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.281 8.911 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.107 11.138 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.378 11.312 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.509 11.944 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.400 11.486 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.372 13.315 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.262 13.689 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.295 13.931 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.326 15.599 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.631 16.602 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.539 14.881 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.434 16.199 -6.683 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.569 9.792 -5.347 1.00 0.00 N ATOM 1298 CA ASN A 77 -12.002 9.550 -5.657 1.00 0.00 C ATOM 1299 C ASN A 77 -12.201 8.093 -6.080 1.00 0.00 C ATOM 1300 O ASN A 77 -13.076 7.401 -5.588 1.00 0.00 O ATOM 1301 CB ASN A 77 -12.326 10.495 -6.815 1.00 0.00 C ATOM 1302 CG ASN A 77 -13.002 11.757 -6.274 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -12.758 12.140 -5.051 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -13.758 12.402 -6.973 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.072 10.390 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.650 9.728 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.413 10.760 -7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.981 9.998 -7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.949 12.103 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.202 13.243 -6.604 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.393 7.620 -6.988 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.545 6.205 -7.449 1.00 0.00 C ATOM 1313 C ALA A 78 -10.983 5.227 -6.411 1.00 0.00 C ATOM 1314 O ALA A 78 -11.715 4.524 -5.738 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.739 6.127 -8.745 1.00 0.00 C ATOM 0 H ALA A 78 -10.638 8.145 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.591 5.935 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.799 5.117 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.145 6.833 -9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.697 6.375 -8.541 1.00 0.00 H new ATOM 1321 N MET A 79 -9.688 5.174 -6.287 1.00 0.00 N ATOM 1322 CA MET A 79 -9.060 4.244 -5.307 1.00 0.00 C ATOM 1323 C MET A 79 -9.845 4.210 -3.992 1.00 0.00 C ATOM 1324 O MET A 79 -10.304 3.167 -3.572 1.00 0.00 O ATOM 1325 CB MET A 79 -7.655 4.798 -5.080 1.00 0.00 C ATOM 1326 CG MET A 79 -6.828 3.785 -4.288 1.00 0.00 C ATOM 1327 SD MET A 79 -5.111 4.353 -4.197 1.00 0.00 S ATOM 1328 CE MET A 79 -4.707 3.602 -2.602 1.00 0.00 C ATOM 0 H MET A 79 -9.032 5.739 -6.826 1.00 0.00 H new ATOM 0 HA MET A 79 -9.045 3.219 -5.678 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.176 5.006 -6.037 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.708 5.742 -4.538 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.238 3.669 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.874 2.807 -4.767 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.725 3.945 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.455 3.891 -1.864 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.697 2.517 -2.703 1.00 0.00 H new ATOM 1338 N LEU A 80 -10.007 5.327 -3.326 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.761 5.294 -2.037 1.00 0.00 C ATOM 1340 C LEU A 80 -12.088 4.574 -2.242 1.00 0.00 C ATOM 1341 O LEU A 80 -12.439 3.694 -1.484 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.996 6.749 -1.632 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.652 7.472 -1.500 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -9.890 8.917 -1.057 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.792 6.757 -0.456 1.00 0.00 C ATOM 0 H LEU A 80 -9.658 6.242 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.210 4.763 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.617 7.248 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.537 6.791 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.140 7.466 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.933 9.431 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.505 9.428 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.401 8.923 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.835 7.270 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.306 6.765 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.622 5.727 -0.768 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.824 4.928 -3.267 1.00 0.00 N ATOM 1358 CA LYS A 81 -14.124 4.236 -3.515 1.00 0.00 C ATOM 1359 C LYS A 81 -13.974 2.743 -3.206 1.00 0.00 C ATOM 1360 O LYS A 81 -14.629 2.206 -2.333 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.412 4.455 -5.001 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.837 4.985 -5.176 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.810 6.514 -5.242 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.272 7.074 -3.924 1.00 0.00 C ATOM 1365 NZ LYS A 81 -15.464 8.548 -4.023 1.00 0.00 N ATOM 0 H LYS A 81 -12.583 5.659 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.932 4.617 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.696 5.162 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.292 3.519 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.278 4.579 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.462 4.657 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.183 6.841 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.813 6.898 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.812 6.662 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.220 6.821 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.118 9.002 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.933 8.913 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.475 8.759 -4.145 1.00 0.00 H new ATOM 1379 N SER A 82 -13.091 2.077 -3.898 1.00 0.00 N ATOM 1380 CA SER A 82 -12.878 0.625 -3.634 1.00 0.00 C ATOM 1381 C SER A 82 -11.988 0.439 -2.398 1.00 0.00 C ATOM 1382 O SER A 82 -12.406 -0.106 -1.394 1.00 0.00 O ATOM 1383 CB SER A 82 -12.176 0.095 -4.883 1.00 0.00 C ATOM 1384 OG SER A 82 -11.222 1.051 -5.325 1.00 0.00 O ATOM 0 H SER A 82 -12.508 2.475 -4.634 1.00 0.00 H new ATOM 0 HA SER A 82 -13.812 0.098 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.684 -0.853 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.905 -0.099 -5.670 1.00 0.00 H new ATOM 0 HG SER A 82 -10.768 0.714 -6.125 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.762 0.889 -2.464 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.849 0.736 -1.293 1.00 0.00 C ATOM 1392 C ILE A 83 -10.558 1.198 -0.016 1.00 0.00 C ATOM 1393 O ILE A 83 -10.824 0.408 0.869 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.637 1.621 -1.607 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.664 0.844 -2.498 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.924 2.014 -0.311 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -8.209 0.786 -3.926 1.00 0.00 C ATOM 0 H ILE A 83 -10.355 1.354 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.549 -0.299 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.975 2.522 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.686 1.325 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.526 -0.165 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.065 2.642 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.612 2.564 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.587 1.115 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.515 0.233 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.177 0.286 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.324 1.798 -4.313 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.871 2.464 0.091 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.566 2.946 1.319 1.00 0.00 C ATOM 1411 C CYS A 84 -12.680 1.966 1.682 1.00 0.00 C ATOM 1412 O CYS A 84 -12.853 1.607 2.830 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.142 4.317 0.959 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.005 5.421 2.386 1.00 0.00 S ATOM 0 H CYS A 84 -10.677 3.177 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 84 -10.898 3.018 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.606 4.737 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.186 4.218 0.661 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.492 6.587 2.081 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.426 1.507 0.709 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.504 0.529 1.017 1.00 0.00 C ATOM 1422 C GLU A 85 -13.947 -0.559 1.936 1.00 0.00 C ATOM 1423 O GLU A 85 -14.645 -1.104 2.767 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.908 -0.061 -0.334 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.428 0.014 -0.491 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.826 -0.500 -1.875 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -16.077 -0.268 -2.809 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.873 -1.118 -1.977 1.00 0.00 O ATOM 0 H GLU A 85 -13.335 1.766 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.356 0.984 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.421 0.486 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.575 -1.097 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.914 -0.581 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.767 1.042 -0.362 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.686 -0.878 1.791 1.00 0.00 N ATOM 1436 CA VAL A 86 -12.080 -1.931 2.661 1.00 0.00 C ATOM 1437 C VAL A 86 -10.723 -1.475 3.197 1.00 0.00 C ATOM 1438 O VAL A 86 -9.910 -2.277 3.610 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.911 -3.153 1.758 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.679 -4.395 2.620 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -13.172 -3.347 0.913 1.00 0.00 C ATOM 0 H VAL A 86 -12.052 -0.457 1.111 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.705 -2.146 3.528 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.055 -3.001 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.558 -5.267 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.779 -4.259 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.534 -4.546 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.049 -4.219 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.030 -3.498 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.337 -2.463 0.297 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.473 -0.197 3.205 1.00 0.00 N ATOM 1452 CA LEU A 87 -9.169 0.297 3.729 1.00 0.00 C ATOM 1453 C LEU A 87 -9.337 0.766 5.174 1.00 0.00 C ATOM 1454 O LEU A 87 -8.757 1.749 5.591 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.790 1.470 2.824 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.307 1.793 3.008 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.464 0.789 2.220 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -7.028 3.208 2.496 1.00 0.00 C ATOM 0 H LEU A 87 -11.112 0.525 2.873 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.401 -0.476 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.993 1.221 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.397 2.342 3.067 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.049 1.731 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.407 1.019 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.664 -0.219 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.720 0.850 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.971 3.440 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.285 3.270 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.629 3.923 3.058 1.00 0.00 H new ATOM 1470 N ASP A 88 -10.137 0.075 5.941 1.00 0.00 N ATOM 1471 CA ASP A 88 -10.350 0.489 7.355 1.00 0.00 C ATOM 1472 C ASP A 88 -10.818 1.944 7.400 1.00 0.00 C ATOM 1473 O ASP A 88 -10.433 2.706 8.264 1.00 0.00 O ATOM 1474 CB ASP A 88 -8.985 0.341 8.027 1.00 0.00 C ATOM 1475 CG ASP A 88 -9.174 -0.145 9.465 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -9.730 0.602 10.253 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -8.759 -1.255 9.754 1.00 0.00 O ATOM 0 H ASP A 88 -10.651 -0.756 5.649 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.110 -0.111 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.369 -0.366 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.459 1.296 8.021 1.00 0.00 H new ATOM 1482 N LEU A 89 -11.646 2.335 6.468 1.00 0.00 N ATOM 1483 CA LEU A 89 -12.137 3.745 6.452 1.00 0.00 C ATOM 1484 C LEU A 89 -13.618 3.792 6.067 1.00 0.00 C ATOM 1485 O LEU A 89 -14.290 2.781 6.015 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.293 4.447 5.387 1.00 0.00 C ATOM 1487 CG LEU A 89 -9.948 4.862 5.984 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -9.012 5.312 4.861 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.158 6.019 6.963 1.00 0.00 C ATOM 0 H LEU A 89 -12.003 1.742 5.719 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.047 4.219 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.135 3.782 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.821 5.324 5.011 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.508 4.015 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.052 5.608 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.862 4.490 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.454 6.159 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.199 6.314 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.598 6.866 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.827 5.702 7.763 1.00 0.00 H new ATOM 1501 N GLU A 90 -14.129 4.961 5.792 1.00 0.00 N ATOM 1502 CA GLU A 90 -15.564 5.079 5.403 1.00 0.00 C ATOM 1503 C GLU A 90 -15.824 6.448 4.767 1.00 0.00 C ATOM 1504 O GLU A 90 -16.813 7.097 5.045 1.00 0.00 O ATOM 1505 CB GLU A 90 -16.347 4.930 6.709 1.00 0.00 C ATOM 1506 CG GLU A 90 -17.383 3.814 6.555 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.510 4.017 7.570 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -18.206 4.153 8.743 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -19.658 4.031 7.156 1.00 0.00 O ATOM 0 H GLU A 90 -13.614 5.841 5.820 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.858 4.327 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.667 4.700 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -16.842 5.869 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.787 3.816 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.912 2.843 6.708 1.00 0.00 H new ATOM 1516 N ARG A 91 -14.940 6.889 3.913 1.00 0.00 N ATOM 1517 CA ARG A 91 -15.130 8.214 3.253 1.00 0.00 C ATOM 1518 C ARG A 91 -15.284 9.320 4.307 1.00 0.00 C ATOM 1519 O ARG A 91 -14.315 9.782 4.874 1.00 0.00 O ATOM 1520 CB ARG A 91 -16.407 8.060 2.426 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.151 7.097 1.264 1.00 0.00 C ATOM 1522 CD ARG A 91 -16.964 5.817 1.471 1.00 0.00 C ATOM 1523 NE ARG A 91 -17.780 5.673 0.234 1.00 0.00 N ATOM 1524 CZ ARG A 91 -17.797 4.536 -0.407 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -17.845 3.414 0.256 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -17.769 4.522 -1.712 1.00 0.00 N ATOM 0 H ARG A 91 -14.093 6.389 3.643 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.279 8.497 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.215 7.683 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.725 9.030 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -16.428 7.567 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.089 6.860 1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -16.313 4.955 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -17.597 5.891 2.355 1.00 0.00 H new ATOM 0 HE ARG A 91 -18.325 6.462 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -17.869 3.425 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -17.858 2.526 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.734 5.400 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.782 3.634 -2.213 1.00 0.00 H new ATOM 1540 N SER A 92 -16.489 9.751 4.575 1.00 0.00 N ATOM 1541 CA SER A 92 -16.687 10.826 5.593 1.00 0.00 C ATOM 1542 C SER A 92 -15.711 11.981 5.346 1.00 0.00 C ATOM 1543 O SER A 92 -14.610 11.996 5.862 1.00 0.00 O ATOM 1544 CB SER A 92 -16.395 10.158 6.936 1.00 0.00 C ATOM 1545 OG SER A 92 -16.848 11.000 7.987 1.00 0.00 O ATOM 0 H SER A 92 -17.342 9.407 4.135 1.00 0.00 H new ATOM 0 HA SER A 92 -17.692 11.247 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.893 9.190 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.326 9.973 7.038 1.00 0.00 H new ATOM 0 HG SER A 92 -16.664 10.574 8.850 1.00 0.00 H new ATOM 1551 N GLY A 93 -16.105 12.951 4.564 1.00 0.00 N ATOM 1552 CA GLY A 93 -15.198 14.103 4.291 1.00 0.00 C ATOM 1553 C GLY A 93 -15.365 14.553 2.838 1.00 0.00 C ATOM 1554 O GLY A 93 -16.221 14.072 2.123 1.00 0.00 O ATOM 0 H GLY A 93 -17.014 12.995 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.427 14.927 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.163 13.816 4.477 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.551 15.475 2.397 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.663 15.957 0.989 1.00 0.00 C ATOM 1560 C VAL A 94 -13.421 15.553 0.189 1.00 0.00 C ATOM 1561 O VAL A 94 -12.663 14.693 0.592 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.767 17.480 1.090 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -16.172 17.865 1.555 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -13.738 17.999 2.097 1.00 0.00 C ATOM 0 H VAL A 94 -13.815 15.915 2.949 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.524 15.527 0.477 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.572 17.921 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.247 18.950 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.906 17.498 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.366 17.422 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.813 19.084 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.931 17.557 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.736 17.726 1.767 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.207 16.166 -0.943 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.017 15.817 -1.770 1.00 0.00 C ATOM 1576 C ASN A 95 -10.726 16.112 -1.003 1.00 0.00 C ATOM 1577 O ASN A 95 -9.756 15.387 -1.098 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.120 16.709 -3.007 1.00 0.00 C ATOM 1579 CG ASN A 95 -12.318 18.162 -2.571 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -13.293 18.485 -1.922 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -11.428 19.057 -2.900 1.00 0.00 N ATOM 0 H ASN A 95 -13.806 16.895 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.994 14.758 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.217 16.619 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.954 16.388 -3.632 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.551 20.028 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.609 18.786 -3.445 1.00 0.00 H new ATOM 1588 N SER A 96 -10.702 17.176 -0.247 1.00 0.00 N ATOM 1589 CA SER A 96 -9.470 17.519 0.520 1.00 0.00 C ATOM 1590 C SER A 96 -9.262 16.520 1.664 1.00 0.00 C ATOM 1591 O SER A 96 -8.178 16.008 1.862 1.00 0.00 O ATOM 1592 CB SER A 96 -9.722 18.926 1.063 1.00 0.00 C ATOM 1593 OG SER A 96 -9.524 18.935 2.471 1.00 0.00 O ATOM 0 H SER A 96 -11.482 17.822 -0.127 1.00 0.00 H new ATOM 0 HA SER A 96 -8.572 17.479 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.048 19.637 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.738 19.242 0.826 1.00 0.00 H new ATOM 0 HG SER A 96 -9.684 19.837 2.818 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.291 16.241 2.415 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.149 15.275 3.541 1.00 0.00 C ATOM 1601 C GLU A 97 -9.687 13.915 3.011 1.00 0.00 C ATOM 1602 O GLU A 97 -9.019 13.166 3.695 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.548 15.170 4.153 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.435 14.988 5.670 1.00 0.00 C ATOM 1605 CD GLU A 97 -12.292 16.039 6.381 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -12.994 16.766 5.698 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -12.229 16.099 7.599 1.00 0.00 O ATOM 0 H GLU A 97 -11.223 16.639 2.298 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.410 15.598 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.123 16.068 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.085 14.329 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.762 13.987 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.395 15.082 5.981 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.031 13.594 1.793 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.605 12.285 1.219 1.00 0.00 C ATOM 1616 C LEU A 98 -8.097 12.297 0.959 1.00 0.00 C ATOM 1617 O LEU A 98 -7.349 11.545 1.553 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.378 12.156 -0.094 1.00 0.00 C ATOM 1619 CG LEU A 98 -11.835 11.797 0.208 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.622 11.707 -1.100 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -11.886 10.446 0.927 1.00 0.00 C ATOM 0 H LEU A 98 -10.588 14.180 1.171 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.807 11.450 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.330 13.092 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.925 11.388 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.275 12.566 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.659 11.451 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.585 12.668 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.184 10.938 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.923 10.188 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.446 9.678 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.326 10.509 1.860 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.640 13.153 0.085 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.179 13.215 -0.194 1.00 0.00 C ATOM 1635 C VAL A 99 -5.410 13.263 1.127 1.00 0.00 C ATOM 1636 O VAL A 99 -4.602 12.405 1.418 1.00 0.00 O ATOM 1637 CB VAL A 99 -5.980 14.508 -0.990 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.525 14.968 -0.884 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.325 14.256 -2.459 1.00 0.00 C ATOM 0 H VAL A 99 -8.214 13.809 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.817 12.348 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.631 15.282 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.392 15.888 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.276 15.149 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.869 14.195 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.184 15.175 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.673 13.479 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.364 13.935 -2.539 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.668 14.253 1.934 1.00 0.00 N ATOM 1650 CA LYS A 100 -4.962 14.347 3.242 1.00 0.00 C ATOM 1651 C LYS A 100 -4.960 12.981 3.930 1.00 0.00 C ATOM 1652 O LYS A 100 -4.017 12.612 4.602 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.773 15.350 4.056 1.00 0.00 C ATOM 1654 CG LYS A 100 -5.233 15.391 5.484 1.00 0.00 C ATOM 1655 CD LYS A 100 -6.259 16.065 6.391 1.00 0.00 C ATOM 1656 CE LYS A 100 -6.393 15.268 7.693 1.00 0.00 C ATOM 1657 NZ LYS A 100 -7.821 15.415 8.099 1.00 0.00 N ATOM 0 H LYS A 100 -6.336 15.000 1.745 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.922 14.656 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.711 16.339 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.826 15.067 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.027 14.380 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.290 15.937 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.951 17.088 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.224 16.123 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.133 14.220 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.724 15.655 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.986 14.894 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.039 16.422 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.435 15.032 7.352 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.014 12.229 3.766 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.079 10.885 4.408 1.00 0.00 C ATOM 1673 C ARG A 101 -4.941 9.998 3.899 1.00 0.00 C ATOM 1674 O ARG A 101 -4.400 9.192 4.630 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.435 10.313 3.993 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.005 9.466 5.133 1.00 0.00 C ATOM 1677 CD ARG A 101 -9.533 9.542 5.114 1.00 0.00 C ATOM 1678 NE ARG A 101 -9.853 10.949 5.479 1.00 0.00 N ATOM 1679 CZ ARG A 101 -10.652 11.199 6.482 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -10.169 11.311 7.688 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -11.934 11.336 6.277 1.00 0.00 N ATOM 0 H ARG A 101 -6.833 12.487 3.215 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.975 10.940 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.123 11.122 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.325 9.705 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.681 8.431 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.625 9.823 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.929 9.290 4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.972 8.841 5.823 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.448 11.719 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.167 11.203 7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.793 11.506 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.312 11.248 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -12.558 11.531 7.060 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.569 10.137 2.655 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.462 9.292 2.119 1.00 0.00 C ATOM 1697 C ILE A 102 -2.120 9.790 2.671 1.00 0.00 C ATOM 1698 O ILE A 102 -1.199 9.023 2.871 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.524 9.430 0.587 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -2.783 10.693 0.139 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -4.983 9.511 0.129 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.324 10.346 -0.166 1.00 0.00 C ATOM 0 H ILE A 102 -4.980 10.793 1.991 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.561 8.247 2.413 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.049 8.557 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.261 11.114 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.832 11.453 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.019 9.609 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.510 8.605 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.461 10.377 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.795 11.244 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.850 9.945 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.286 9.601 -0.961 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.010 11.068 2.931 1.00 0.00 N ATOM 1715 CA LEU A 103 -0.733 11.606 3.482 1.00 0.00 C ATOM 1716 C LEU A 103 -0.556 11.121 4.922 1.00 0.00 C ATOM 1717 O LEU A 103 0.545 11.030 5.430 1.00 0.00 O ATOM 1718 CB LEU A 103 -0.883 13.132 3.455 1.00 0.00 C ATOM 1719 CG LEU A 103 -0.473 13.696 2.086 1.00 0.00 C ATOM 1720 CD1 LEU A 103 0.838 13.060 1.619 1.00 0.00 C ATOM 1721 CD2 LEU A 103 -1.574 13.406 1.065 1.00 0.00 C ATOM 0 H LEU A 103 -2.747 11.758 2.786 1.00 0.00 H new ATOM 0 HA LEU A 103 0.134 11.278 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.916 13.404 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.266 13.577 4.236 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.329 14.773 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.115 13.470 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.625 13.276 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.709 11.981 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.284 13.806 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.721 12.329 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.503 13.876 1.388 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.636 10.806 5.583 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.539 10.325 6.989 1.00 0.00 C ATOM 1735 C ASN A 104 -1.745 8.808 7.038 1.00 0.00 C ATOM 1736 O ASN A 104 -1.324 8.146 7.965 1.00 0.00 O ATOM 1737 CB ASN A 104 -2.662 11.046 7.733 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.341 12.540 7.821 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.060 13.051 8.887 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -2.373 13.266 6.737 1.00 0.00 N ATOM 0 H ASN A 104 -2.583 10.861 5.209 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.564 10.529 7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.610 10.897 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.776 10.628 8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.162 14.263 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.609 12.837 5.842 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.389 8.255 6.047 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.620 6.780 6.036 1.00 0.00 C ATOM 1749 C PHE A 105 -1.729 6.117 4.982 1.00 0.00 C ATOM 1750 O PHE A 105 -0.852 5.338 5.298 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.097 6.613 5.676 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.516 5.166 5.840 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.631 4.225 6.387 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.797 4.767 5.443 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.028 2.891 6.535 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.195 3.432 5.590 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.310 2.494 6.136 1.00 0.00 C ATOM 0 H PHE A 105 -2.766 8.759 5.244 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.381 6.315 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.709 7.251 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.267 6.934 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.642 4.530 6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.480 5.490 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.346 2.168 6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.184 3.126 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.616 1.465 6.249 1.00 0.00 H new ATOM 1767 N LEU A 106 -1.942 6.425 3.731 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.099 5.814 2.665 1.00 0.00 C ATOM 1769 C LEU A 106 0.361 6.220 2.873 1.00 0.00 C ATOM 1770 O LEU A 106 1.275 5.528 2.473 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.644 6.384 1.355 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.884 5.595 0.931 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.468 4.200 0.459 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.836 5.463 2.122 1.00 0.00 C ATOM 0 H LEU A 106 -2.660 7.071 3.403 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.133 4.725 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.896 7.437 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.882 6.329 0.578 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.385 6.120 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.353 3.639 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.789 4.290 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.966 3.676 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.720 4.901 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.332 4.939 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.135 6.455 2.461 1.00 0.00 H new ATOM 1786 N MET A 107 0.583 7.338 3.511 1.00 0.00 N ATOM 1787 CA MET A 107 1.979 7.792 3.765 1.00 0.00 C ATOM 1788 C MET A 107 2.482 7.184 5.075 1.00 0.00 C ATOM 1789 O MET A 107 3.669 7.065 5.307 1.00 0.00 O ATOM 1790 CB MET A 107 1.884 9.313 3.881 1.00 0.00 C ATOM 1791 CG MET A 107 2.642 9.964 2.725 1.00 0.00 C ATOM 1792 SD MET A 107 2.004 9.327 1.156 1.00 0.00 S ATOM 1793 CE MET A 107 2.489 10.735 0.129 1.00 0.00 C ATOM 0 H MET A 107 -0.145 7.957 3.868 1.00 0.00 H new ATOM 0 HA MET A 107 2.671 7.490 2.979 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.840 9.624 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 107 2.300 9.642 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.527 11.047 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.708 9.753 2.810 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.609 11.141 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.938 11.505 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.212 10.408 -0.618 1.00 0.00 H new ATOM 1803 N HIS A 108 1.576 6.794 5.930 1.00 0.00 N ATOM 1804 CA HIS A 108 1.979 6.187 7.230 1.00 0.00 C ATOM 1805 C HIS A 108 0.739 5.677 7.967 1.00 0.00 C ATOM 1806 O HIS A 108 0.075 6.420 8.660 1.00 0.00 O ATOM 1807 CB HIS A 108 2.649 7.317 8.010 1.00 0.00 C ATOM 1808 CG HIS A 108 4.060 6.920 8.348 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.951 6.083 7.722 1.00 0.00 N flip ATOM 1810 CD2 HIS A 108 4.717 7.402 9.468 1.00 0.00 C flip ATOM 1811 CE1 HIS A 108 6.142 6.045 8.442 1.00 0.00 C flip ATOM 1812 NE2 HIS A 108 5.948 6.857 9.483 1.00 0.00 N flip ATOM 0 H HIS A 108 0.570 6.870 5.783 1.00 0.00 H new ATOM 0 HA HIS A 108 2.650 5.337 7.105 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.649 8.233 7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.090 7.526 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.315 8.090 10.197 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.032 5.480 8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.647 7.042 10.202 1.00 0.00 H new ATOM 1820 N PRO A 109 0.470 4.415 7.780 1.00 0.00 N ATOM 1821 CA PRO A 109 -0.706 3.775 8.420 1.00 0.00 C ATOM 1822 C PRO A 109 -0.464 3.583 9.922 1.00 0.00 C ATOM 1823 O PRO A 109 -0.739 4.458 10.720 1.00 0.00 O ATOM 1824 CB PRO A 109 -0.809 2.431 7.704 1.00 0.00 C ATOM 1825 CG PRO A 109 0.569 2.146 7.206 1.00 0.00 C ATOM 1826 CD PRO A 109 1.235 3.474 6.961 1.00 0.00 C ATOM 0 HA PRO A 109 -1.617 4.368 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.152 1.649 8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.523 2.477 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 109 1.130 1.563 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.533 1.558 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.285 3.453 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.204 3.747 5.906 1.00 0.00 H new ATOM 1834 N LYS A 110 0.046 2.448 10.315 1.00 0.00 N ATOM 1835 CA LYS A 110 0.299 2.209 11.766 1.00 0.00 C ATOM 1836 C LYS A 110 -1.023 2.201 12.540 1.00 0.00 C ATOM 1837 O LYS A 110 -1.897 2.976 12.189 1.00 0.00 O ATOM 1838 CB LYS A 110 1.176 3.379 12.212 1.00 0.00 C ATOM 1839 CG LYS A 110 2.543 2.853 12.659 1.00 0.00 C ATOM 1840 CD LYS A 110 3.526 4.019 12.776 1.00 0.00 C ATOM 1841 CE LYS A 110 3.565 4.793 11.457 1.00 0.00 C ATOM 1842 NZ LYS A 110 2.739 6.008 11.700 1.00 0.00 N ATOM 0 H LYS A 110 0.298 1.677 9.697 1.00 0.00 H new ATOM 0 HA LYS A 110 0.778 1.247 11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.298 4.088 11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.696 3.916 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.452 2.343 13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.915 2.121 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.226 4.681 13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.521 3.646 13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.587 5.058 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.161 4.198 10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.229 6.261 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.054 5.816 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.356 6.797 11.981 1.00 0.00 H new TER 1856 LYS A 110