USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1144 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 103 GLN :FLIP amide:sc= -2.62 F(o=-7.1!,f=-4.5) USER MOD Set 1.2: A 111 GLN : amide:sc= -1.87 K(o=-4.5,f=-5.1!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= 0.428 K(o=1.6,f=-8.4!) USER MOD Set 2.2: A 143 SER OG : rot -79:sc= 1.16 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0771 (180deg=-0.745) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0319 (180deg=-0.484) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS :FLIP no HE2:sc= -0.147 F(o=-0.97,f=-0.15) USER MOD Single : A 53 ASN : amide:sc= -2.88 K(o=-2.9,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 176:sc= -3.73 (180deg=-3.95) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 59 THR OG1 : rot 22:sc= 1.05 USER MOD Single : A 60 LYS NZ :NH3+ -126:sc=-0.00132 (180deg=-0.192) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -4.1 K(o=-4.1,f=-8.3!) USER MOD Single : A 68 TYR OH : rot 151:sc= 1.11 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 63:sc= 0.0728 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.0646 (180deg=-0.828) USER MOD Single : A 85 ASN : amide:sc=-0.00457 K(o=-0.0046,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 98 ASN : amide:sc= -0.0341 K(o=-0.034,f=-2.1!) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 108 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ -146:sc= -0.468 (180deg=-1) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0646) USER MOD Single : A 122 MET CE :methyl -167:sc= -2.13 (180deg=-2.36!) USER MOD Single : A 126 LYS NZ :NH3+ -129:sc= 0.0235 (180deg=-0.118) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -4.6! C(o=-4.6!,f=-8.4!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 144 LYS NZ :NH3+ -141:sc= -0.851 (180deg=-3.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 104.243 11.255 -15.489 1.00 0.00 N ATOM 2 CA MET A 1 102.994 10.851 -14.769 1.00 0.00 C ATOM 3 C MET A 1 103.024 9.356 -14.437 1.00 0.00 C ATOM 4 O MET A 1 102.705 8.948 -13.342 1.00 0.00 O ATOM 5 CB MET A 1 101.846 11.162 -15.732 1.00 0.00 C ATOM 6 CG MET A 1 101.670 12.676 -15.846 1.00 0.00 C ATOM 7 SD MET A 1 100.280 13.039 -16.946 1.00 0.00 S ATOM 8 CE MET A 1 101.095 12.589 -18.497 1.00 0.00 C ATOM 0 H1 MET A 1 104.483 12.237 -15.244 1.00 0.00 H new ATOM 0 H2 MET A 1 105.024 10.627 -15.209 1.00 0.00 H new ATOM 0 H3 MET A 1 104.091 11.182 -16.515 1.00 0.00 H new ATOM 0 HA MET A 1 102.884 11.383 -13.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 102.055 10.735 -16.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 100.924 10.704 -15.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 101.491 13.107 -14.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 102.582 13.131 -16.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 100.604 13.097 -19.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 102.142 12.888 -18.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.031 11.511 -18.642 1.00 0.00 H new ATOM 20 N SER A 2 103.398 8.535 -15.373 1.00 0.00 N ATOM 21 CA SER A 2 103.439 7.069 -15.099 1.00 0.00 C ATOM 22 C SER A 2 104.406 6.767 -13.946 1.00 0.00 C ATOM 23 O SER A 2 104.123 5.960 -13.082 1.00 0.00 O ATOM 24 CB SER A 2 103.935 6.444 -16.401 1.00 0.00 C ATOM 25 OG SER A 2 102.949 6.616 -17.410 1.00 0.00 O ATOM 0 H SER A 2 103.677 8.811 -16.315 1.00 0.00 H new ATOM 0 HA SER A 2 102.468 6.675 -14.800 1.00 0.00 H new ATOM 0 HB2 SER A 2 104.871 6.910 -16.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 104.140 5.384 -16.254 1.00 0.00 H new ATOM 0 HG SER A 2 103.265 6.217 -18.248 1.00 0.00 H new ATOM 31 N LYS A 3 105.545 7.402 -13.931 1.00 0.00 N ATOM 32 CA LYS A 3 106.536 7.150 -12.841 1.00 0.00 C ATOM 33 C LYS A 3 105.981 7.599 -11.478 1.00 0.00 C ATOM 34 O LYS A 3 106.165 6.938 -10.474 1.00 0.00 O ATOM 35 CB LYS A 3 107.758 7.987 -13.229 1.00 0.00 C ATOM 36 CG LYS A 3 108.371 7.433 -14.519 1.00 0.00 C ATOM 37 CD LYS A 3 109.562 8.300 -14.936 1.00 0.00 C ATOM 38 CE LYS A 3 110.145 7.776 -16.251 1.00 0.00 C ATOM 39 NZ LYS A 3 111.325 8.643 -16.524 1.00 0.00 N1+ ATOM 0 H LYS A 3 105.835 8.088 -14.628 1.00 0.00 H new ATOM 0 HA LYS A 3 106.773 6.091 -12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 3 107.468 9.028 -13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 3 108.495 7.967 -12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 3 108.694 6.403 -14.367 1.00 0.00 H new ATOM 0 HG3 LYS A 3 107.623 7.419 -15.312 1.00 0.00 H new ATOM 0 HD2 LYS A 3 109.246 9.336 -15.054 1.00 0.00 H new ATOM 0 HD3 LYS A 3 110.325 8.286 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 3 110.436 6.729 -16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 3 109.415 7.838 -17.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 111.778 8.344 -17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 111.016 9.633 -16.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 112.006 8.559 -15.742 1.00 0.00 H new ATOM 53 N ILE A 4 105.315 8.722 -11.437 1.00 0.00 N ATOM 54 CA ILE A 4 104.757 9.230 -10.140 1.00 0.00 C ATOM 55 C ILE A 4 103.240 9.445 -10.246 1.00 0.00 C ATOM 56 O ILE A 4 102.752 10.038 -11.185 1.00 0.00 O ATOM 57 CB ILE A 4 105.479 10.563 -9.892 1.00 0.00 C ATOM 58 CG1 ILE A 4 105.262 11.504 -11.086 1.00 0.00 C ATOM 59 CG2 ILE A 4 106.976 10.314 -9.706 1.00 0.00 C ATOM 60 CD1 ILE A 4 105.903 12.859 -10.802 1.00 0.00 C ATOM 0 H ILE A 4 105.130 9.315 -12.246 1.00 0.00 H new ATOM 0 HA ILE A 4 104.911 8.523 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 4 105.074 11.024 -8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 4 105.695 11.069 -11.987 1.00 0.00 H new ATOM 0 HG13 ILE A 4 104.195 11.628 -11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 4 107.484 11.263 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 4 107.132 9.655 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 4 107.381 9.846 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 4 105.745 13.522 -11.653 1.00 0.00 H new ATOM 0 HD12 ILE A 4 105.450 13.297 -9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 4 106.973 12.728 -10.637 1.00 0.00 H new ATOM 72 N GLU A 5 102.483 8.967 -9.293 1.00 0.00 N ATOM 73 CA GLU A 5 101.003 9.157 -9.366 1.00 0.00 C ATOM 74 C GLU A 5 100.507 10.038 -8.206 1.00 0.00 C ATOM 75 O GLU A 5 100.399 11.242 -8.342 1.00 0.00 O ATOM 76 CB GLU A 5 100.418 7.748 -9.276 1.00 0.00 C ATOM 77 CG GLU A 5 100.776 6.960 -10.539 1.00 0.00 C ATOM 78 CD GLU A 5 100.275 5.512 -10.412 1.00 0.00 C ATOM 79 OE1 GLU A 5 99.659 5.194 -9.405 1.00 0.00 O ATOM 80 OE2 GLU A 5 100.519 4.745 -11.328 1.00 0.00 O1- ATOM 0 H GLU A 5 102.820 8.459 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 5 100.699 9.664 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 5 100.807 7.238 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 5 99.335 7.800 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 5 100.328 7.434 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 5 101.855 6.969 -10.690 1.00 0.00 H new ATOM 87 N GLU A 6 100.192 9.458 -7.075 1.00 0.00 N ATOM 88 CA GLU A 6 99.696 10.274 -5.928 1.00 0.00 C ATOM 89 C GLU A 6 100.624 10.131 -4.717 1.00 0.00 C ATOM 90 O GLU A 6 100.627 10.958 -3.828 1.00 0.00 O ATOM 91 CB GLU A 6 98.314 9.698 -5.616 1.00 0.00 C ATOM 92 CG GLU A 6 97.688 10.453 -4.440 1.00 0.00 C ATOM 93 CD GLU A 6 96.293 9.888 -4.147 1.00 0.00 C ATOM 94 OE1 GLU A 6 95.774 9.164 -4.983 1.00 0.00 O ATOM 95 OE2 GLU A 6 95.766 10.190 -3.089 1.00 0.00 O1- ATOM 0 H GLU A 6 100.257 8.456 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 6 99.660 11.338 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 6 97.671 9.776 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 6 98.398 8.638 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 6 98.321 10.360 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 6 97.619 11.516 -4.673 1.00 0.00 H new ATOM 102 N PHE A 7 101.409 9.085 -4.672 1.00 0.00 N ATOM 103 CA PHE A 7 102.336 8.876 -3.516 1.00 0.00 C ATOM 104 C PHE A 7 103.101 10.165 -3.182 1.00 0.00 C ATOM 105 O PHE A 7 102.839 10.805 -2.182 1.00 0.00 O ATOM 106 CB PHE A 7 103.290 7.780 -3.990 1.00 0.00 C ATOM 107 CG PHE A 7 104.291 7.456 -2.905 1.00 0.00 C ATOM 108 CD1 PHE A 7 103.851 7.026 -1.644 1.00 0.00 C ATOM 109 CD2 PHE A 7 105.662 7.561 -3.170 1.00 0.00 C ATOM 110 CE1 PHE A 7 104.786 6.702 -0.652 1.00 0.00 C ATOM 111 CE2 PHE A 7 106.594 7.243 -2.176 1.00 0.00 C ATOM 112 CZ PHE A 7 106.158 6.813 -0.917 1.00 0.00 C ATOM 0 H PHE A 7 101.449 8.362 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 7 101.806 8.600 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 7 102.726 6.885 -4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 7 103.811 8.105 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 7 102.794 6.945 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 7 106.000 7.888 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 7 104.449 6.366 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 7 107.651 7.329 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 7 106.878 6.567 -0.151 1.00 0.00 H new ATOM 122 N LEU A 8 104.044 10.551 -4.001 1.00 0.00 N ATOM 123 CA LEU A 8 104.809 11.796 -3.700 1.00 0.00 C ATOM 124 C LEU A 8 104.948 12.677 -4.939 1.00 0.00 C ATOM 125 O LEU A 8 104.831 12.222 -6.060 1.00 0.00 O ATOM 126 CB LEU A 8 106.187 11.329 -3.242 1.00 0.00 C ATOM 127 CG LEU A 8 106.073 10.523 -1.949 1.00 0.00 C ATOM 128 CD1 LEU A 8 107.451 9.967 -1.591 1.00 0.00 C ATOM 129 CD2 LEU A 8 105.585 11.411 -0.804 1.00 0.00 C ATOM 0 H LEU A 8 104.315 10.064 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 8 104.299 12.393 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.648 10.719 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.836 12.190 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 8 105.359 9.713 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 107.382 9.389 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 8 107.804 9.324 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.151 10.791 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 8 105.510 10.820 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 106.291 12.227 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.606 11.820 -1.053 1.00 0.00 H new ATOM 141 N THR A 9 105.211 13.936 -4.736 1.00 0.00 N ATOM 142 CA THR A 9 105.375 14.866 -5.889 1.00 0.00 C ATOM 143 C THR A 9 106.808 14.771 -6.423 1.00 0.00 C ATOM 144 O THR A 9 107.679 14.215 -5.783 1.00 0.00 O ATOM 145 CB THR A 9 105.116 16.265 -5.313 1.00 0.00 C ATOM 146 OG1 THR A 9 106.159 16.593 -4.403 1.00 0.00 O ATOM 147 CG2 THR A 9 103.770 16.289 -4.579 1.00 0.00 C ATOM 0 H THR A 9 105.320 14.364 -3.817 1.00 0.00 H new ATOM 0 HA THR A 9 104.700 14.634 -6.712 1.00 0.00 H new ATOM 0 HB THR A 9 105.090 16.992 -6.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.001 17.486 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.594 17.285 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 9 102.971 16.035 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.786 15.564 -3.765 1.00 0.00 H new ATOM 155 N ALA A 10 107.061 15.300 -7.588 1.00 0.00 N ATOM 156 CA ALA A 10 108.441 15.227 -8.154 1.00 0.00 C ATOM 157 C ALA A 10 109.447 15.828 -7.167 1.00 0.00 C ATOM 158 O ALA A 10 110.548 15.339 -7.012 1.00 0.00 O ATOM 159 CB ALA A 10 108.381 16.057 -9.435 1.00 0.00 C ATOM 0 H ALA A 10 106.376 15.779 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 10 108.760 14.203 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.359 16.056 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.643 15.627 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.098 17.081 -9.192 1.00 0.00 H new ATOM 165 N GLU A 11 109.068 16.870 -6.483 1.00 0.00 N ATOM 166 CA GLU A 11 109.989 17.488 -5.486 1.00 0.00 C ATOM 167 C GLU A 11 110.398 16.449 -4.443 1.00 0.00 C ATOM 168 O GLU A 11 111.553 16.329 -4.078 1.00 0.00 O ATOM 169 CB GLU A 11 109.149 18.576 -4.814 1.00 0.00 C ATOM 170 CG GLU A 11 110.011 19.331 -3.797 1.00 0.00 C ATOM 171 CD GLU A 11 109.174 20.412 -3.102 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.962 20.395 -3.258 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 109.760 21.240 -2.425 1.00 0.00 O ATOM 0 H GLU A 11 108.158 17.323 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 11 110.899 17.876 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.763 19.267 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.287 18.130 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.409 18.636 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 11 110.865 19.787 -4.298 1.00 0.00 H new ATOM 180 N GLU A 12 109.447 15.713 -3.948 1.00 0.00 N ATOM 181 CA GLU A 12 109.746 14.693 -2.906 1.00 0.00 C ATOM 182 C GLU A 12 110.559 13.520 -3.466 1.00 0.00 C ATOM 183 O GLU A 12 111.511 13.071 -2.855 1.00 0.00 O ATOM 184 CB GLU A 12 108.366 14.239 -2.424 1.00 0.00 C ATOM 185 CG GLU A 12 107.688 15.405 -1.695 1.00 0.00 C ATOM 186 CD GLU A 12 106.246 15.040 -1.327 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.795 13.982 -1.734 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.617 15.826 -0.636 1.00 0.00 O1- ATOM 0 H GLU A 12 108.466 15.774 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 12 110.360 15.097 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.758 13.918 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.462 13.382 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.248 15.653 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.695 16.292 -2.329 1.00 0.00 H new ATOM 195 N GLU A 13 110.208 13.024 -4.618 1.00 0.00 N ATOM 196 CA GLU A 13 110.977 11.887 -5.207 1.00 0.00 C ATOM 197 C GLU A 13 112.408 12.315 -5.553 1.00 0.00 C ATOM 198 O GLU A 13 113.346 11.568 -5.376 1.00 0.00 O ATOM 199 CB GLU A 13 110.213 11.520 -6.476 1.00 0.00 C ATOM 200 CG GLU A 13 108.846 10.951 -6.096 1.00 0.00 C ATOM 201 CD GLU A 13 109.034 9.637 -5.332 1.00 0.00 C ATOM 202 OE1 GLU A 13 110.098 9.053 -5.451 1.00 0.00 O ATOM 203 OE2 GLU A 13 108.112 9.236 -4.644 1.00 0.00 O1- ATOM 0 H GLU A 13 109.423 13.354 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 13 111.063 11.050 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.091 12.400 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.776 10.788 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.301 11.667 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.249 10.781 -6.992 1.00 0.00 H new ATOM 210 N LYS A 14 112.587 13.503 -6.056 1.00 0.00 N ATOM 211 CA LYS A 14 113.965 13.950 -6.413 1.00 0.00 C ATOM 212 C LYS A 14 114.861 14.027 -5.169 1.00 0.00 C ATOM 213 O LYS A 14 116.008 13.629 -5.197 1.00 0.00 O ATOM 214 CB LYS A 14 113.790 15.337 -7.032 1.00 0.00 C ATOM 215 CG LYS A 14 113.147 15.205 -8.414 1.00 0.00 C ATOM 216 CD LYS A 14 112.931 16.598 -9.010 1.00 0.00 C ATOM 217 CE LYS A 14 112.308 16.470 -10.403 1.00 0.00 C ATOM 218 NZ LYS A 14 112.113 17.872 -10.868 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.846 14.181 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 14 114.447 13.252 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.167 15.958 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 14 114.757 15.834 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 113.785 14.612 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 112.195 14.679 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 14 112.280 17.185 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 14 113.881 17.129 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 14 112.961 15.917 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 14 111.361 15.932 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 111.689 17.867 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 111.482 18.371 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 113.032 18.358 -10.902 1.00 0.00 H new ATOM 232 N ALA A 15 114.357 14.556 -4.086 1.00 0.00 N ATOM 233 CA ALA A 15 115.202 14.680 -2.858 1.00 0.00 C ATOM 234 C ALA A 15 115.597 13.306 -2.285 1.00 0.00 C ATOM 235 O ALA A 15 116.742 13.087 -1.928 1.00 0.00 O ATOM 236 CB ALA A 15 114.341 15.458 -1.864 1.00 0.00 C ATOM 0 H ALA A 15 113.403 14.906 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 15 116.144 15.183 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.891 15.592 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.094 16.434 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.423 14.904 -1.667 1.00 0.00 H new ATOM 242 N ILE A 16 114.675 12.382 -2.178 1.00 0.00 N ATOM 243 CA ILE A 16 115.041 11.048 -1.606 1.00 0.00 C ATOM 244 C ILE A 16 116.028 10.322 -2.526 1.00 0.00 C ATOM 245 O ILE A 16 116.949 9.666 -2.073 1.00 0.00 O ATOM 246 CB ILE A 16 113.730 10.266 -1.471 1.00 0.00 C ATOM 247 CG1 ILE A 16 114.016 8.950 -0.745 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.148 9.978 -2.853 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.705 8.320 -0.266 1.00 0.00 C ATOM 0 H ILE A 16 113.700 12.489 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 16 115.534 11.148 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 16 113.008 10.854 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.537 8.263 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.674 9.130 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.217 9.422 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.953 10.918 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.859 9.388 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.918 7.384 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.201 9.004 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 16 112.061 8.124 -1.123 1.00 0.00 H new ATOM 261 N VAL A 17 115.861 10.452 -3.811 1.00 0.00 N ATOM 262 CA VAL A 17 116.807 9.793 -4.754 1.00 0.00 C ATOM 263 C VAL A 17 118.208 10.360 -4.523 1.00 0.00 C ATOM 264 O VAL A 17 119.188 9.643 -4.563 1.00 0.00 O ATOM 265 CB VAL A 17 116.289 10.133 -6.153 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.291 9.651 -7.204 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.948 9.430 -6.378 1.00 0.00 C ATOM 0 H VAL A 17 115.111 10.986 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 17 116.867 8.713 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 17 116.162 11.212 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.920 9.894 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.251 10.143 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.418 8.572 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.574 9.669 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.083 8.352 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.230 9.768 -5.630 1.00 0.00 H new ATOM 277 N ASP A 18 118.311 11.638 -4.279 1.00 0.00 N ATOM 278 CA ASP A 18 119.661 12.224 -4.045 1.00 0.00 C ATOM 279 C ASP A 18 120.272 11.578 -2.802 1.00 0.00 C ATOM 280 O ASP A 18 121.459 11.324 -2.741 1.00 0.00 O ATOM 281 CB ASP A 18 119.459 13.727 -3.852 1.00 0.00 C ATOM 282 CG ASP A 18 120.817 14.407 -3.617 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.833 13.755 -3.805 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 120.815 15.570 -3.250 1.00 0.00 O ATOM 0 H ASP A 18 117.531 12.294 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 18 120.341 12.046 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.975 14.154 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.799 13.909 -3.004 1.00 0.00 H new ATOM 289 N ALA A 19 119.466 11.289 -1.815 1.00 0.00 N ATOM 290 CA ALA A 19 120.005 10.637 -0.587 1.00 0.00 C ATOM 291 C ALA A 19 120.592 9.268 -0.951 1.00 0.00 C ATOM 292 O ALA A 19 121.604 8.853 -0.420 1.00 0.00 O ATOM 293 CB ALA A 19 118.797 10.477 0.339 1.00 0.00 C ATOM 0 H ALA A 19 118.463 11.475 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 19 120.799 11.216 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.111 10.003 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.373 11.457 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.045 9.857 -0.148 1.00 0.00 H new ATOM 299 N ILE A 20 119.960 8.563 -1.852 1.00 0.00 N ATOM 300 CA ILE A 20 120.474 7.216 -2.252 1.00 0.00 C ATOM 301 C ILE A 20 121.856 7.353 -2.913 1.00 0.00 C ATOM 302 O ILE A 20 122.765 6.587 -2.650 1.00 0.00 O ATOM 303 CB ILE A 20 119.451 6.687 -3.265 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.102 6.457 -2.567 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.947 5.363 -3.858 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.235 5.390 -1.473 1.00 0.00 C ATOM 0 H ILE A 20 119.109 8.860 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 20 120.590 6.548 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 20 119.328 7.419 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.748 7.391 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.357 6.145 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.217 4.990 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.901 5.524 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.075 4.632 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.269 5.241 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.566 4.452 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 20 118.964 5.718 -0.732 1.00 0.00 H new ATOM 318 N ARG A 21 122.010 8.318 -3.779 1.00 0.00 N ATOM 319 CA ARG A 21 123.315 8.511 -4.478 1.00 0.00 C ATOM 320 C ARG A 21 124.429 8.780 -3.469 1.00 0.00 C ATOM 321 O ARG A 21 125.530 8.278 -3.588 1.00 0.00 O ATOM 322 CB ARG A 21 123.100 9.752 -5.346 1.00 0.00 C ATOM 323 CG ARG A 21 122.124 9.421 -6.471 1.00 0.00 C ATOM 324 CD ARG A 21 121.801 10.690 -7.263 1.00 0.00 C ATOM 325 NE ARG A 21 123.080 11.071 -7.925 1.00 0.00 N ATOM 326 CZ ARG A 21 123.160 12.191 -8.591 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.526 13.251 -8.167 1.00 0.00 N ATOM 328 NH2 ARG A 21 123.874 12.253 -9.682 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.283 8.986 -4.035 1.00 0.00 H new ATOM 0 HA ARG A 21 123.607 7.632 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.710 10.570 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.050 10.088 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.556 8.669 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.209 8.995 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.016 10.507 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.445 11.484 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 21 123.892 10.458 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 21 121.968 13.204 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.589 14.126 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 21 124.370 11.426 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 21 123.936 13.128 -10.202 1.00 0.00 H new ATOM 342 N ASP A 22 124.149 9.577 -2.480 1.00 0.00 N ATOM 343 CA ASP A 22 125.180 9.900 -1.457 1.00 0.00 C ATOM 344 C ASP A 22 125.574 8.656 -0.656 1.00 0.00 C ATOM 345 O ASP A 22 126.723 8.478 -0.303 1.00 0.00 O ATOM 346 CB ASP A 22 124.504 10.924 -0.544 1.00 0.00 C ATOM 347 CG ASP A 22 124.659 12.332 -1.129 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.396 12.483 -2.092 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 124.039 13.240 -0.600 1.00 0.00 O ATOM 0 H ASP A 22 123.243 10.023 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 22 126.098 10.276 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.447 10.682 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.947 10.884 0.451 1.00 0.00 H new ATOM 354 N ALA A 23 124.635 7.799 -0.347 1.00 0.00 N ATOM 355 CA ALA A 23 124.987 6.588 0.455 1.00 0.00 C ATOM 356 C ALA A 23 125.938 5.688 -0.338 1.00 0.00 C ATOM 357 O ALA A 23 126.868 5.127 0.209 1.00 0.00 O ATOM 358 CB ALA A 23 123.663 5.890 0.749 1.00 0.00 C ATOM 0 H ALA A 23 123.653 7.882 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 23 125.505 6.841 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.848 4.991 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.014 6.562 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.179 5.618 -0.189 1.00 0.00 H new ATOM 364 N GLU A 24 125.726 5.544 -1.625 1.00 0.00 N ATOM 365 CA GLU A 24 126.641 4.685 -2.444 1.00 0.00 C ATOM 366 C GLU A 24 128.084 5.219 -2.400 1.00 0.00 C ATOM 367 O GLU A 24 129.018 4.519 -2.731 1.00 0.00 O ATOM 368 CB GLU A 24 126.067 4.728 -3.858 1.00 0.00 C ATOM 369 CG GLU A 24 124.713 4.006 -3.873 1.00 0.00 C ATOM 370 CD GLU A 24 124.091 4.074 -5.274 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.704 4.659 -6.154 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.010 3.536 -5.443 1.00 0.00 O1- ATOM 0 H GLU A 24 124.963 5.982 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 24 126.694 3.664 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.946 5.761 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.754 4.252 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.844 2.966 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.041 4.463 -3.146 1.00 0.00 H new ATOM 379 N LYS A 25 128.281 6.429 -1.932 1.00 0.00 N ATOM 380 CA LYS A 25 129.661 6.955 -1.796 1.00 0.00 C ATOM 381 C LYS A 25 130.151 6.749 -0.346 1.00 0.00 C ATOM 382 O LYS A 25 131.245 7.142 0.002 1.00 0.00 O ATOM 383 CB LYS A 25 129.550 8.430 -2.116 1.00 0.00 C ATOM 384 CG LYS A 25 129.123 8.590 -3.569 1.00 0.00 C ATOM 385 CD LYS A 25 128.951 10.070 -3.866 1.00 0.00 C ATOM 386 CE LYS A 25 128.525 10.255 -5.326 1.00 0.00 C ATOM 387 NZ LYS A 25 128.479 11.735 -5.552 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.542 7.068 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 25 130.371 6.452 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.825 8.905 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.506 8.925 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.871 8.156 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.189 8.057 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.202 10.500 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.885 10.600 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.233 9.778 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.551 9.801 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 128.194 11.928 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.791 12.164 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.420 12.142 -5.379 1.00 0.00 H new ATOM 401 N ASN A 26 129.345 6.140 0.503 1.00 0.00 N ATOM 402 CA ASN A 26 129.758 5.899 1.906 1.00 0.00 C ATOM 403 C ASN A 26 129.924 4.392 2.147 1.00 0.00 C ATOM 404 O ASN A 26 130.556 3.972 3.094 1.00 0.00 O ATOM 405 CB ASN A 26 128.594 6.429 2.741 1.00 0.00 C ATOM 406 CG ASN A 26 128.587 7.957 2.711 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.584 8.574 2.391 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.497 8.596 3.032 1.00 0.00 N ATOM 0 H ASN A 26 128.412 5.801 0.268 1.00 0.00 H new ATOM 0 HA ASN A 26 130.705 6.379 2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.651 6.044 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.682 6.077 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.480 9.616 3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.661 8.076 3.300 1.00 0.00 H new ATOM 415 N THR A 27 129.359 3.573 1.290 1.00 0.00 N ATOM 416 CA THR A 27 129.482 2.100 1.465 1.00 0.00 C ATOM 417 C THR A 27 129.407 1.407 0.101 1.00 0.00 C ATOM 418 O THR A 27 128.859 1.938 -0.846 1.00 0.00 O ATOM 419 CB THR A 27 128.283 1.691 2.338 1.00 0.00 C ATOM 420 OG1 THR A 27 128.215 0.269 2.425 1.00 0.00 O ATOM 421 CG2 THR A 27 126.975 2.219 1.727 1.00 0.00 C ATOM 0 H THR A 27 128.818 3.868 0.477 1.00 0.00 H new ATOM 0 HA THR A 27 130.430 1.818 1.923 1.00 0.00 H new ATOM 0 HB THR A 27 128.414 2.118 3.332 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.452 0.012 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.135 1.923 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.015 3.306 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.846 1.803 0.728 1.00 0.00 H new ATOM 429 N SER A 28 129.915 0.210 0.005 1.00 0.00 N ATOM 430 CA SER A 28 129.824 -0.527 -1.280 1.00 0.00 C ATOM 431 C SER A 28 128.488 -1.291 -1.346 1.00 0.00 C ATOM 432 O SER A 28 128.137 -1.845 -2.370 1.00 0.00 O ATOM 433 CB SER A 28 131.013 -1.489 -1.283 1.00 0.00 C ATOM 434 OG SER A 28 130.867 -2.422 -0.221 1.00 0.00 O ATOM 0 H SER A 28 130.388 -0.286 0.760 1.00 0.00 H new ATOM 0 HA SER A 28 129.854 0.135 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.069 -2.013 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.944 -0.934 -1.169 1.00 0.00 H new ATOM 0 HG SER A 28 131.627 -3.041 -0.222 1.00 0.00 H new ATOM 440 N GLY A 29 127.729 -1.320 -0.266 1.00 0.00 N ATOM 441 CA GLY A 29 126.429 -2.032 -0.280 1.00 0.00 C ATOM 442 C GLY A 29 125.417 -1.207 -1.069 1.00 0.00 C ATOM 443 O GLY A 29 125.688 -0.083 -1.449 1.00 0.00 O ATOM 0 H GLY A 29 127.967 -0.875 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.545 -3.017 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.075 -2.188 0.739 1.00 0.00 H new ATOM 447 N GLU A 30 124.258 -1.746 -1.324 1.00 0.00 N ATOM 448 CA GLU A 30 123.249 -0.965 -2.102 1.00 0.00 C ATOM 449 C GLU A 30 121.861 -1.028 -1.461 1.00 0.00 C ATOM 450 O GLU A 30 121.418 -2.057 -0.992 1.00 0.00 O ATOM 451 CB GLU A 30 123.227 -1.600 -3.491 1.00 0.00 C ATOM 452 CG GLU A 30 124.585 -1.395 -4.167 1.00 0.00 C ATOM 453 CD GLU A 30 124.836 0.103 -4.364 1.00 0.00 C ATOM 454 OE1 GLU A 30 123.872 0.851 -4.355 1.00 0.00 O ATOM 455 OE2 GLU A 30 125.987 0.475 -4.519 1.00 0.00 O1- ATOM 0 H GLU A 30 123.966 -2.679 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 30 123.515 0.092 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.005 -2.664 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.437 -1.153 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.376 -1.830 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.606 -1.908 -5.129 1.00 0.00 H new ATOM 462 N ILE A 31 121.175 0.082 -1.458 1.00 0.00 N ATOM 463 CA ILE A 31 119.803 0.144 -0.878 1.00 0.00 C ATOM 464 C ILE A 31 118.819 0.614 -1.948 1.00 0.00 C ATOM 465 O ILE A 31 119.079 1.559 -2.669 1.00 0.00 O ATOM 466 CB ILE A 31 119.880 1.169 0.253 1.00 0.00 C ATOM 467 CG1 ILE A 31 120.817 0.655 1.345 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.484 1.387 0.846 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.047 1.763 2.373 1.00 0.00 C ATOM 0 H ILE A 31 121.514 0.965 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 31 119.465 -0.827 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 31 120.260 2.112 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.385 -0.222 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.766 0.344 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.541 2.118 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.812 1.754 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.104 0.444 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 31 121.715 1.401 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.496 2.627 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.094 2.052 2.816 1.00 0.00 H new ATOM 481 N ARG A 32 117.691 -0.021 -2.052 1.00 0.00 N ATOM 482 CA ARG A 32 116.695 0.411 -3.066 1.00 0.00 C ATOM 483 C ARG A 32 115.291 0.328 -2.466 1.00 0.00 C ATOM 484 O ARG A 32 115.048 -0.410 -1.531 1.00 0.00 O ATOM 485 CB ARG A 32 116.865 -0.561 -4.231 1.00 0.00 C ATOM 486 CG ARG A 32 115.967 -0.131 -5.388 1.00 0.00 C ATOM 487 CD ARG A 32 116.167 -1.086 -6.564 1.00 0.00 C ATOM 488 NE ARG A 32 115.397 -0.479 -7.684 1.00 0.00 N ATOM 489 CZ ARG A 32 115.312 -1.101 -8.826 1.00 0.00 C ATOM 490 NH1 ARG A 32 114.642 -2.217 -8.908 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 115.895 -0.609 -9.884 1.00 0.00 N ATOM 0 H ARG A 32 117.415 -0.819 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 32 116.838 1.441 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.906 -0.581 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.610 -1.572 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.923 -0.136 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.205 0.889 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.222 -1.185 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.801 -2.085 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 32 114.937 0.422 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 32 114.186 -2.600 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.574 -2.706 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 32 116.419 0.264 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.827 -1.097 -10.777 1.00 0.00 H new ATOM 505 N VAL A 33 114.369 1.095 -2.975 1.00 0.00 N ATOM 506 CA VAL A 33 112.991 1.072 -2.409 1.00 0.00 C ATOM 507 C VAL A 33 111.973 0.677 -3.486 1.00 0.00 C ATOM 508 O VAL A 33 111.999 1.168 -4.597 1.00 0.00 O ATOM 509 CB VAL A 33 112.743 2.509 -1.918 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.272 2.688 -1.512 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.637 2.798 -0.711 1.00 0.00 C ATOM 0 H VAL A 33 114.509 1.736 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 33 112.886 0.343 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 33 112.976 3.201 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.112 3.709 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.631 2.490 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.029 1.991 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.461 3.816 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.405 2.096 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.683 2.688 -0.998 1.00 0.00 H new ATOM 521 N HIS A 34 111.048 -0.175 -3.139 1.00 0.00 N ATOM 522 CA HIS A 34 109.993 -0.572 -4.107 1.00 0.00 C ATOM 523 C HIS A 34 108.631 -0.225 -3.510 1.00 0.00 C ATOM 524 O HIS A 34 108.278 -0.661 -2.433 1.00 0.00 O ATOM 525 CB HIS A 34 110.133 -2.078 -4.303 1.00 0.00 C ATOM 526 CG HIS A 34 109.160 -2.526 -5.358 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.432 -2.408 -6.712 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.903 -3.075 -5.274 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.363 -2.876 -7.382 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.402 -3.295 -6.553 1.00 0.00 N ATOM 0 H HIS A 34 110.979 -0.614 -2.221 1.00 0.00 H new ATOM 0 HA HIS A 34 110.087 -0.056 -5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.152 -2.326 -4.601 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.939 -2.599 -3.366 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.383 -3.301 -4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.290 -2.909 -8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.496 -3.691 -6.804 1.00 0.00 H new ATOM 538 N LEU A 35 107.878 0.584 -4.195 1.00 0.00 N ATOM 539 CA LEU A 35 106.552 1.002 -3.673 1.00 0.00 C ATOM 540 C LEU A 35 105.408 0.425 -4.507 1.00 0.00 C ATOM 541 O LEU A 35 105.326 0.623 -5.702 1.00 0.00 O ATOM 542 CB LEU A 35 106.562 2.517 -3.810 1.00 0.00 C ATOM 543 CG LEU A 35 105.335 3.082 -3.112 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.434 2.804 -1.609 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.280 4.578 -3.348 1.00 0.00 C ATOM 0 H LEU A 35 108.127 0.977 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 35 106.396 0.653 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.470 2.929 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.561 2.800 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 35 104.434 2.614 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.556 3.208 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.486 1.728 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.331 3.278 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.403 4.993 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.179 5.043 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.218 4.775 -4.418 1.00 0.00 H new ATOM 557 N GLU A 36 104.498 -0.247 -3.858 1.00 0.00 N ATOM 558 CA GLU A 36 103.315 -0.803 -4.571 1.00 0.00 C ATOM 559 C GLU A 36 102.086 -0.628 -3.678 1.00 0.00 C ATOM 560 O GLU A 36 102.194 -0.294 -2.514 1.00 0.00 O ATOM 561 CB GLU A 36 103.620 -2.275 -4.851 1.00 0.00 C ATOM 562 CG GLU A 36 102.489 -2.874 -5.692 1.00 0.00 C ATOM 563 CD GLU A 36 102.814 -4.327 -6.048 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.953 -4.727 -5.865 1.00 0.00 O ATOM 565 OE2 GLU A 36 101.915 -5.013 -6.504 1.00 0.00 O1- ATOM 0 H GLU A 36 104.524 -0.436 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 36 103.111 -0.294 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.569 -2.368 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.721 -2.822 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.550 -2.827 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.353 -2.290 -6.602 1.00 0.00 H new ATOM 572 N LYS A 37 100.915 -0.798 -4.227 1.00 0.00 N ATOM 573 CA LYS A 37 99.676 -0.585 -3.427 1.00 0.00 C ATOM 574 C LYS A 37 99.369 -1.767 -2.505 1.00 0.00 C ATOM 575 O LYS A 37 99.592 -1.705 -1.310 1.00 0.00 O ATOM 576 CB LYS A 37 98.575 -0.394 -4.471 1.00 0.00 C ATOM 577 CG LYS A 37 98.833 0.898 -5.248 1.00 0.00 C ATOM 578 CD LYS A 37 97.756 1.074 -6.319 1.00 0.00 C ATOM 579 CE LYS A 37 98.020 2.363 -7.101 1.00 0.00 C ATOM 580 NZ LYS A 37 96.920 2.437 -8.101 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.762 -1.076 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 37 99.772 0.271 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.554 -1.244 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.600 -0.351 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.828 1.750 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.819 0.865 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.757 0.219 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.770 1.113 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.015 3.232 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.995 2.337 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 97.032 3.296 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.954 1.600 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 96.005 2.467 -7.608 1.00 0.00 H new ATOM 594 N THR A 38 98.868 -2.844 -3.042 1.00 0.00 N ATOM 595 CA THR A 38 98.561 -4.026 -2.185 1.00 0.00 C ATOM 596 C THR A 38 98.951 -5.309 -2.916 1.00 0.00 C ATOM 597 O THR A 38 98.996 -5.360 -4.129 1.00 0.00 O ATOM 598 CB THR A 38 97.048 -3.986 -1.951 1.00 0.00 C ATOM 599 OG1 THR A 38 96.648 -5.162 -1.259 1.00 0.00 O ATOM 600 CG2 THR A 38 96.321 -3.910 -3.296 1.00 0.00 C ATOM 0 H THR A 38 98.658 -2.958 -4.034 1.00 0.00 H new ATOM 0 HA THR A 38 99.111 -4.003 -1.244 1.00 0.00 H new ATOM 0 HB THR A 38 96.795 -3.108 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.680 -5.138 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.245 -3.882 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.629 -3.008 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.571 -4.786 -3.895 1.00 0.00 H new ATOM 608 N SER A 39 99.227 -6.349 -2.183 1.00 0.00 N ATOM 609 CA SER A 39 99.607 -7.634 -2.821 1.00 0.00 C ATOM 610 C SER A 39 98.434 -8.611 -2.780 1.00 0.00 C ATOM 611 O SER A 39 97.471 -8.416 -2.065 1.00 0.00 O ATOM 612 CB SER A 39 100.782 -8.153 -1.991 1.00 0.00 C ATOM 613 OG SER A 39 100.457 -8.070 -0.609 1.00 0.00 O ATOM 0 H SER A 39 99.205 -6.362 -1.163 1.00 0.00 H new ATOM 0 HA SER A 39 99.876 -7.515 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 39 101.005 -9.185 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.677 -7.567 -2.201 1.00 0.00 H new ATOM 0 HG SER A 39 101.208 -8.404 -0.076 1.00 0.00 H new ATOM 619 N GLU A 40 98.524 -9.676 -3.517 1.00 0.00 N ATOM 620 CA GLU A 40 97.441 -10.699 -3.502 1.00 0.00 C ATOM 621 C GLU A 40 97.886 -11.927 -2.685 1.00 0.00 C ATOM 622 O GLU A 40 97.100 -12.813 -2.413 1.00 0.00 O ATOM 623 CB GLU A 40 97.227 -11.066 -4.972 1.00 0.00 C ATOM 624 CG GLU A 40 96.131 -12.129 -5.088 1.00 0.00 C ATOM 625 CD GLU A 40 95.844 -12.417 -6.568 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.274 -11.635 -7.402 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 95.199 -13.415 -6.841 1.00 0.00 O ATOM 0 H GLU A 40 99.307 -9.887 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 40 96.524 -10.332 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.947 -10.179 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 40 98.156 -11.440 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.443 -13.043 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 40 95.223 -11.785 -4.592 1.00 0.00 H new ATOM 634 N ILE A 41 99.139 -11.985 -2.286 1.00 0.00 N ATOM 635 CA ILE A 41 99.628 -13.142 -1.492 1.00 0.00 C ATOM 636 C ILE A 41 100.337 -12.630 -0.217 1.00 0.00 C ATOM 637 O ILE A 41 99.746 -11.897 0.551 1.00 0.00 O ATOM 638 CB ILE A 41 100.574 -13.883 -2.444 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.650 -12.926 -2.986 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.778 -14.446 -3.621 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.696 -13.734 -3.753 1.00 0.00 C ATOM 0 H ILE A 41 99.841 -11.271 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 41 98.837 -13.805 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 41 101.055 -14.692 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.196 -12.181 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.120 -12.385 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.452 -14.973 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 41 99.021 -15.138 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.292 -13.630 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.462 -13.062 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.156 -14.462 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.217 -14.255 -4.582 1.00 0.00 H new ATOM 653 N ASP A 42 101.592 -12.959 0.011 1.00 0.00 N ATOM 654 CA ASP A 42 102.281 -12.433 1.214 1.00 0.00 C ATOM 655 C ASP A 42 103.347 -11.417 0.790 1.00 0.00 C ATOM 656 O ASP A 42 104.047 -11.605 -0.187 1.00 0.00 O ATOM 657 CB ASP A 42 102.910 -13.650 1.891 1.00 0.00 C ATOM 658 CG ASP A 42 101.812 -14.538 2.493 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.675 -14.096 2.549 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 102.131 -15.646 2.888 1.00 0.00 O ATOM 0 H ASP A 42 102.155 -13.565 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 42 101.603 -11.918 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.494 -14.219 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.598 -13.327 2.672 1.00 0.00 H new ATOM 665 N VAL A 43 103.461 -10.338 1.509 1.00 0.00 N ATOM 666 CA VAL A 43 104.466 -9.297 1.148 1.00 0.00 C ATOM 667 C VAL A 43 105.889 -9.860 1.249 1.00 0.00 C ATOM 668 O VAL A 43 106.721 -9.615 0.403 1.00 0.00 O ATOM 669 CB VAL A 43 104.243 -8.155 2.156 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.365 -7.114 2.040 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.905 -7.476 1.860 1.00 0.00 C ATOM 0 H VAL A 43 102.900 -10.129 2.335 1.00 0.00 H new ATOM 0 HA VAL A 43 104.350 -8.952 0.121 1.00 0.00 H new ATOM 0 HB VAL A 43 104.242 -8.570 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.194 -6.313 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.324 -7.588 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.375 -6.701 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.743 -6.666 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.918 -7.072 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.099 -8.205 1.950 1.00 0.00 H new ATOM 681 N PHE A 44 106.179 -10.598 2.281 1.00 0.00 N ATOM 682 CA PHE A 44 107.551 -11.157 2.427 1.00 0.00 C ATOM 683 C PHE A 44 107.903 -12.052 1.232 1.00 0.00 C ATOM 684 O PHE A 44 108.958 -11.908 0.645 1.00 0.00 O ATOM 685 CB PHE A 44 107.511 -11.970 3.718 1.00 0.00 C ATOM 686 CG PHE A 44 108.857 -12.608 3.940 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.929 -11.836 4.401 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.035 -13.971 3.679 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.181 -12.428 4.601 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.287 -14.563 3.879 1.00 0.00 C ATOM 691 CZ PHE A 44 111.360 -13.791 4.340 1.00 0.00 C ATOM 0 H PHE A 44 105.528 -10.839 3.029 1.00 0.00 H new ATOM 0 HA PHE A 44 108.310 -10.375 2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.256 -11.326 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.737 -12.735 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.790 -10.784 4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.207 -14.566 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 44 112.009 -11.833 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.425 -15.615 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.326 -14.248 4.494 1.00 0.00 H new ATOM 701 N ASP A 45 107.033 -12.944 0.834 1.00 0.00 N ATOM 702 CA ASP A 45 107.348 -13.791 -0.358 1.00 0.00 C ATOM 703 C ASP A 45 107.302 -12.903 -1.603 1.00 0.00 C ATOM 704 O ASP A 45 108.116 -13.024 -2.495 1.00 0.00 O ATOM 705 CB ASP A 45 106.249 -14.856 -0.413 1.00 0.00 C ATOM 706 CG ASP A 45 106.495 -15.800 -1.601 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.535 -15.682 -2.232 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.637 -16.629 -1.856 1.00 0.00 O ATOM 0 H ASP A 45 106.130 -13.122 1.274 1.00 0.00 H new ATOM 0 HA ASP A 45 108.333 -14.255 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 45 106.234 -15.424 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.273 -14.380 -0.511 1.00 0.00 H new ATOM 713 N ARG A 46 106.359 -12.009 -1.664 1.00 0.00 N ATOM 714 CA ARG A 46 106.255 -11.105 -2.843 1.00 0.00 C ATOM 715 C ARG A 46 107.519 -10.250 -2.988 1.00 0.00 C ATOM 716 O ARG A 46 108.032 -10.082 -4.076 1.00 0.00 O ATOM 717 CB ARG A 46 105.039 -10.228 -2.553 1.00 0.00 C ATOM 718 CG ARG A 46 104.766 -9.318 -3.751 1.00 0.00 C ATOM 719 CD ARG A 46 103.459 -8.558 -3.521 1.00 0.00 C ATOM 720 NE ARG A 46 103.164 -7.896 -4.820 1.00 0.00 N ATOM 721 CZ ARG A 46 102.078 -7.188 -4.958 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.812 -6.230 -4.113 1.00 0.00 N ATOM 723 NH2 ARG A 46 101.256 -7.437 -5.939 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.651 -11.863 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 46 106.152 -11.658 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.168 -10.852 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.215 -9.628 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.589 -8.616 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.700 -9.910 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.655 -9.235 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.564 -7.826 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 46 103.811 -7.996 -5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.454 -6.035 -3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 46 100.962 -5.676 -4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.462 -8.186 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.407 -6.882 -6.046 1.00 0.00 H new ATOM 737 N ALA A 47 108.035 -9.707 -1.915 1.00 0.00 N ATOM 738 CA ALA A 47 109.267 -8.874 -2.032 1.00 0.00 C ATOM 739 C ALA A 47 110.453 -9.736 -2.466 1.00 0.00 C ATOM 740 O ALA A 47 111.250 -9.332 -3.284 1.00 0.00 O ATOM 741 CB ALA A 47 109.500 -8.294 -0.637 1.00 0.00 C ATOM 0 H ALA A 47 107.660 -9.804 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 47 109.159 -8.088 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.393 -7.668 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.639 -7.693 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.635 -9.106 0.077 1.00 0.00 H new ATOM 747 N MET A 48 110.571 -10.925 -1.943 1.00 0.00 N ATOM 748 CA MET A 48 111.703 -11.802 -2.358 1.00 0.00 C ATOM 749 C MET A 48 111.589 -12.107 -3.852 1.00 0.00 C ATOM 750 O MET A 48 112.565 -12.063 -4.575 1.00 0.00 O ATOM 751 CB MET A 48 111.557 -13.077 -1.527 1.00 0.00 C ATOM 752 CG MET A 48 112.721 -14.022 -1.834 1.00 0.00 C ATOM 753 SD MET A 48 112.560 -15.526 -0.838 1.00 0.00 S ATOM 754 CE MET A 48 111.547 -16.467 -2.005 1.00 0.00 C ATOM 0 H MET A 48 109.938 -11.326 -1.251 1.00 0.00 H new ATOM 0 HA MET A 48 112.675 -11.336 -2.196 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.544 -12.832 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.609 -13.565 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.728 -14.275 -2.894 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.669 -13.530 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 48 111.325 -17.448 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.615 -15.933 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 112.090 -16.588 -2.943 1.00 0.00 H new ATOM 764 N ASP A 49 110.409 -12.393 -4.331 1.00 0.00 N ATOM 765 CA ASP A 49 110.258 -12.668 -5.789 1.00 0.00 C ATOM 766 C ASP A 49 110.620 -11.405 -6.577 1.00 0.00 C ATOM 767 O ASP A 49 111.305 -11.453 -7.578 1.00 0.00 O ATOM 768 CB ASP A 49 108.789 -13.049 -5.984 1.00 0.00 C ATOM 769 CG ASP A 49 108.537 -13.403 -7.451 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.500 -13.674 -8.150 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.384 -13.401 -7.850 1.00 0.00 O ATOM 0 H ASP A 49 109.551 -12.448 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 49 110.912 -13.466 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.536 -13.896 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.146 -12.221 -5.684 1.00 0.00 H new ATOM 776 N VAL A 50 110.178 -10.271 -6.105 1.00 0.00 N ATOM 777 CA VAL A 50 110.500 -8.978 -6.780 1.00 0.00 C ATOM 778 C VAL A 50 112.004 -8.683 -6.677 1.00 0.00 C ATOM 779 O VAL A 50 112.625 -8.272 -7.638 1.00 0.00 O ATOM 780 CB VAL A 50 109.673 -7.933 -6.027 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.010 -6.531 -6.537 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.184 -8.213 -6.244 1.00 0.00 C ATOM 0 H VAL A 50 109.600 -10.183 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 50 110.265 -8.988 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 50 109.906 -7.989 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.417 -5.794 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.070 -6.331 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.784 -6.467 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.592 -7.470 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.955 -8.161 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.942 -9.208 -5.869 1.00 0.00 H new ATOM 792 N PHE A 51 112.600 -8.889 -5.536 1.00 0.00 N ATOM 793 CA PHE A 51 114.065 -8.620 -5.407 1.00 0.00 C ATOM 794 C PHE A 51 114.842 -9.496 -6.396 1.00 0.00 C ATOM 795 O PHE A 51 115.718 -9.021 -7.096 1.00 0.00 O ATOM 796 CB PHE A 51 114.413 -8.989 -3.962 1.00 0.00 C ATOM 797 CG PHE A 51 115.886 -8.752 -3.714 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.372 -7.451 -3.616 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.760 -9.831 -3.582 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.733 -7.221 -3.381 1.00 0.00 C ATOM 801 CE2 PHE A 51 118.121 -9.608 -3.348 1.00 0.00 C ATOM 802 CZ PHE A 51 118.607 -8.301 -3.245 1.00 0.00 C ATOM 0 H PHE A 51 112.142 -9.230 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 51 114.322 -7.584 -5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.818 -8.392 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.167 -10.034 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.696 -6.615 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 51 116.385 -10.841 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.106 -6.210 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.796 -10.445 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.657 -8.127 -3.061 1.00 0.00 H new ATOM 812 N HIS A 52 114.526 -10.760 -6.481 1.00 0.00 N ATOM 813 CA HIS A 52 115.245 -11.639 -7.452 1.00 0.00 C ATOM 814 C HIS A 52 114.774 -11.332 -8.884 1.00 0.00 C ATOM 815 O HIS A 52 115.552 -11.372 -9.817 1.00 0.00 O ATOM 816 CB HIS A 52 114.892 -13.074 -7.049 1.00 0.00 C ATOM 817 CG HIS A 52 115.596 -13.436 -5.766 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.507 -12.929 -4.494 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.530 -14.459 -5.698 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.367 -13.622 -3.649 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.959 -14.532 -4.424 1.00 0.00 N flip ATOM 0 H HIS A 52 113.806 -11.221 -5.925 1.00 0.00 H new ATOM 0 HA HIS A 52 116.323 -11.481 -7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.814 -13.170 -6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.182 -13.765 -7.840 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.901 -12.159 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.854 -15.083 -6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.522 -13.459 -2.593 1.00 0.00 H new ATOM 829 N ASN A 53 113.516 -11.023 -9.068 1.00 0.00 N ATOM 830 CA ASN A 53 113.019 -10.712 -10.447 1.00 0.00 C ATOM 831 C ASN A 53 113.746 -9.486 -11.007 1.00 0.00 C ATOM 832 O ASN A 53 114.093 -9.441 -12.171 1.00 0.00 O ATOM 833 CB ASN A 53 111.526 -10.422 -10.292 1.00 0.00 C ATOM 834 CG ASN A 53 110.751 -11.737 -10.200 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.284 -12.792 -10.483 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.501 -11.718 -9.826 1.00 0.00 N ATOM 0 H ASN A 53 112.814 -10.972 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 53 113.198 -11.536 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.353 -9.824 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.170 -9.837 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.972 -12.588 -9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.053 -10.833 -9.588 1.00 0.00 H new ATOM 843 N LEU A 54 113.990 -8.495 -10.193 1.00 0.00 N ATOM 844 CA LEU A 54 114.714 -7.287 -10.692 1.00 0.00 C ATOM 845 C LEU A 54 116.233 -7.539 -10.719 1.00 0.00 C ATOM 846 O LEU A 54 117.005 -6.653 -11.025 1.00 0.00 O ATOM 847 CB LEU A 54 114.373 -6.175 -9.703 1.00 0.00 C ATOM 848 CG LEU A 54 112.865 -5.922 -9.716 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.520 -4.853 -8.678 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.440 -5.437 -11.105 1.00 0.00 C ATOM 0 H LEU A 54 113.722 -8.468 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 54 114.420 -7.030 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.696 -6.454 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.907 -5.263 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 54 112.340 -6.847 -9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.445 -4.671 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.823 -5.196 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.046 -3.929 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.365 -5.257 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.965 -4.512 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.687 -6.196 -11.847 1.00 0.00 H new ATOM 862 N LYS A 55 116.668 -8.741 -10.403 1.00 0.00 N ATOM 863 CA LYS A 55 118.122 -9.056 -10.420 1.00 0.00 C ATOM 864 C LYS A 55 118.917 -8.100 -9.529 1.00 0.00 C ATOM 865 O LYS A 55 120.065 -7.807 -9.792 1.00 0.00 O ATOM 866 CB LYS A 55 118.542 -8.924 -11.882 1.00 0.00 C ATOM 867 CG LYS A 55 117.945 -10.087 -12.674 1.00 0.00 C ATOM 868 CD LYS A 55 118.300 -9.945 -14.154 1.00 0.00 C ATOM 869 CE LYS A 55 117.760 -11.160 -14.911 1.00 0.00 C ATOM 870 NZ LYS A 55 118.117 -10.923 -16.336 1.00 0.00 N1+ ATOM 0 H LYS A 55 116.065 -9.518 -10.133 1.00 0.00 H new ATOM 0 HA LYS A 55 118.319 -10.053 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.197 -7.974 -12.289 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.629 -8.930 -11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.325 -11.033 -12.289 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.862 -10.104 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.872 -9.028 -14.558 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.381 -9.873 -14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 55 118.206 -12.084 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.681 -11.254 -14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.778 -11.717 -16.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.673 -10.041 -16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.150 -10.845 -16.427 1.00 0.00 H new ATOM 884 N MET A 56 118.325 -7.625 -8.467 1.00 0.00 N ATOM 885 CA MET A 56 119.074 -6.708 -7.563 1.00 0.00 C ATOM 886 C MET A 56 120.220 -7.471 -6.888 1.00 0.00 C ATOM 887 O MET A 56 121.149 -6.877 -6.377 1.00 0.00 O ATOM 888 CB MET A 56 118.069 -6.239 -6.519 1.00 0.00 C ATOM 889 CG MET A 56 117.123 -5.200 -7.124 1.00 0.00 C ATOM 890 SD MET A 56 115.872 -4.737 -5.897 1.00 0.00 S ATOM 891 CE MET A 56 116.974 -3.921 -4.712 1.00 0.00 C ATOM 0 H MET A 56 117.365 -7.830 -8.189 1.00 0.00 H new ATOM 0 HA MET A 56 119.508 -5.867 -8.105 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.497 -7.089 -6.147 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.594 -5.810 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.684 -4.320 -7.437 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.642 -5.605 -8.015 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.384 -3.495 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.676 -4.650 -4.306 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.526 -3.127 -5.215 1.00 0.00 H new ATOM 901 N ASP A 57 120.159 -8.774 -6.865 1.00 0.00 N ATOM 902 CA ASP A 57 121.239 -9.557 -6.208 1.00 0.00 C ATOM 903 C ASP A 57 122.503 -9.587 -7.066 1.00 0.00 C ATOM 904 O ASP A 57 123.514 -10.096 -6.639 1.00 0.00 O ATOM 905 CB ASP A 57 120.667 -10.967 -6.066 1.00 0.00 C ATOM 906 CG ASP A 57 120.257 -11.527 -7.440 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.746 -11.033 -8.446 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.464 -12.453 -7.460 1.00 0.00 O ATOM 0 H ASP A 57 119.407 -9.329 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 57 121.526 -9.120 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 57 121.408 -11.621 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.803 -10.949 -5.402 1.00 0.00 H new ATOM 913 N ASN A 58 122.471 -9.042 -8.264 1.00 0.00 N ATOM 914 CA ASN A 58 123.694 -9.059 -9.143 1.00 0.00 C ATOM 915 C ASN A 58 124.934 -8.651 -8.348 1.00 0.00 C ATOM 916 O ASN A 58 126.043 -9.054 -8.646 1.00 0.00 O ATOM 917 CB ASN A 58 123.403 -8.025 -10.230 1.00 0.00 C ATOM 918 CG ASN A 58 122.656 -8.675 -11.402 1.00 0.00 C ATOM 919 OD1 ASN A 58 121.943 -9.756 -11.211 1.00 0.00 O flip ATOM 920 ND2 ASN A 58 122.716 -8.186 -12.512 1.00 0.00 N flip ATOM 0 H ASN A 58 121.654 -8.587 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 58 123.892 -10.050 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.806 -7.212 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 58 124.337 -7.587 -10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 58 123.269 -7.344 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.213 -8.618 -13.287 1.00 0.00 H new ATOM 927 N THR A 59 124.744 -7.780 -7.396 1.00 0.00 N ATOM 928 CA THR A 59 125.883 -7.235 -6.602 1.00 0.00 C ATOM 929 C THR A 59 126.927 -8.298 -6.245 1.00 0.00 C ATOM 930 O THR A 59 126.630 -9.455 -6.017 1.00 0.00 O ATOM 931 CB THR A 59 125.242 -6.642 -5.346 1.00 0.00 C ATOM 932 OG1 THR A 59 126.246 -6.043 -4.539 1.00 0.00 O ATOM 933 CG2 THR A 59 124.550 -7.741 -4.550 1.00 0.00 C ATOM 0 H THR A 59 123.829 -7.416 -7.129 1.00 0.00 H new ATOM 0 HA THR A 59 126.436 -6.493 -7.178 1.00 0.00 H new ATOM 0 HB THR A 59 124.509 -5.891 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 59 127.029 -5.836 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 59 124.096 -7.312 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 59 123.777 -8.203 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 59 125.281 -8.495 -4.259 1.00 0.00 H new ATOM 941 N LYS A 60 128.159 -7.875 -6.229 1.00 0.00 N ATOM 942 CA LYS A 60 129.300 -8.786 -5.930 1.00 0.00 C ATOM 943 C LYS A 60 129.300 -9.265 -4.479 1.00 0.00 C ATOM 944 O LYS A 60 129.594 -10.410 -4.196 1.00 0.00 O ATOM 945 CB LYS A 60 130.541 -7.945 -6.203 1.00 0.00 C ATOM 946 CG LYS A 60 130.604 -7.611 -7.692 1.00 0.00 C ATOM 947 CD LYS A 60 131.847 -6.770 -7.978 1.00 0.00 C ATOM 948 CE LYS A 60 131.950 -6.519 -9.482 1.00 0.00 C ATOM 949 NZ LYS A 60 130.962 -5.439 -9.758 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.430 -6.910 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 60 129.248 -9.690 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.511 -7.029 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.437 -8.488 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 60 130.631 -8.529 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 129.708 -7.067 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 60 131.791 -5.822 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 60 132.739 -7.285 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.958 -6.214 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.719 -7.420 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 130.313 -5.746 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 130.420 -5.236 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 131.463 -4.580 -10.063 1.00 0.00 H new ATOM 963 N LEU A 61 128.991 -8.400 -3.554 1.00 0.00 N ATOM 964 CA LEU A 61 128.993 -8.818 -2.126 1.00 0.00 C ATOM 965 C LEU A 61 127.606 -9.298 -1.688 1.00 0.00 C ATOM 966 O LEU A 61 127.425 -9.685 -0.553 1.00 0.00 O ATOM 967 CB LEU A 61 129.384 -7.570 -1.337 1.00 0.00 C ATOM 968 CG LEU A 61 130.781 -7.107 -1.742 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.040 -5.721 -1.147 1.00 0.00 C ATOM 970 CD2 LEU A 61 131.825 -8.091 -1.207 1.00 0.00 C ATOM 0 H LEU A 61 128.738 -7.427 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 61 129.681 -9.647 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.662 -6.774 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.359 -7.784 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 61 130.850 -7.063 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.036 -5.383 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.297 -5.018 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 61 130.971 -5.773 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 61 132.821 -7.758 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 61 131.760 -8.135 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.638 -9.081 -1.622 1.00 0.00 H new ATOM 982 N GLN A 62 126.626 -9.268 -2.570 1.00 0.00 N ATOM 983 CA GLN A 62 125.256 -9.727 -2.199 1.00 0.00 C ATOM 984 C GLN A 62 124.731 -8.930 -1.012 1.00 0.00 C ATOM 985 O GLN A 62 124.043 -9.427 -0.154 1.00 0.00 O ATOM 986 CB GLN A 62 125.402 -11.215 -1.856 1.00 0.00 C ATOM 987 CG GLN A 62 125.760 -11.984 -3.127 1.00 0.00 C ATOM 988 CD GLN A 62 126.031 -13.447 -2.781 1.00 0.00 C ATOM 989 OE1 GLN A 62 125.905 -13.849 -1.642 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.404 -14.268 -3.725 1.00 0.00 N ATOM 0 H GLN A 62 126.724 -8.943 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 62 124.540 -9.578 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.176 -11.353 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.473 -11.597 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 62 124.945 -11.915 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.639 -11.542 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 62 126.510 -13.931 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.589 -15.247 -3.506 1.00 0.00 H new ATOM 999 N ASN A 63 125.063 -7.666 -0.995 1.00 0.00 N ATOM 1000 CA ASN A 63 124.617 -6.754 0.092 1.00 0.00 C ATOM 1001 C ASN A 63 123.644 -5.705 -0.457 1.00 0.00 C ATOM 1002 O ASN A 63 123.762 -4.527 -0.184 1.00 0.00 O ATOM 1003 CB ASN A 63 125.897 -6.086 0.598 1.00 0.00 C ATOM 1004 CG ASN A 63 126.771 -7.129 1.298 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.283 -8.154 1.731 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.052 -6.913 1.426 1.00 0.00 N ATOM 0 H ASN A 63 125.639 -7.220 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 63 124.092 -7.286 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.441 -5.639 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.651 -5.279 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.642 -7.604 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.463 -6.053 1.063 1.00 0.00 H new ATOM 1013 N GLY A 64 122.664 -6.139 -1.200 1.00 0.00 N ATOM 1014 CA GLY A 64 121.654 -5.188 -1.742 1.00 0.00 C ATOM 1015 C GLY A 64 120.417 -5.231 -0.843 1.00 0.00 C ATOM 1016 O GLY A 64 120.053 -6.268 -0.323 1.00 0.00 O ATOM 0 H GLY A 64 122.519 -7.116 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.064 -4.178 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.389 -5.458 -2.764 1.00 0.00 H new ATOM 1020 N VAL A 65 119.768 -4.117 -0.646 1.00 0.00 N ATOM 1021 CA VAL A 65 118.562 -4.114 0.231 1.00 0.00 C ATOM 1022 C VAL A 65 117.356 -3.548 -0.519 1.00 0.00 C ATOM 1023 O VAL A 65 117.436 -2.534 -1.181 1.00 0.00 O ATOM 1024 CB VAL A 65 118.940 -3.218 1.429 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.706 -2.893 2.292 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.967 -3.946 2.295 1.00 0.00 C ATOM 0 H VAL A 65 120.017 -3.214 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 65 118.282 -5.118 0.551 1.00 0.00 H new ATOM 0 HB VAL A 65 119.352 -2.286 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.003 -2.260 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.966 -2.370 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.274 -3.819 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.238 -3.318 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.540 -4.881 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.857 -4.159 1.703 1.00 0.00 H new ATOM 1036 N LEU A 66 116.233 -4.199 -0.408 1.00 0.00 N ATOM 1037 CA LEU A 66 115.018 -3.699 -1.094 1.00 0.00 C ATOM 1038 C LEU A 66 113.959 -3.331 -0.062 1.00 0.00 C ATOM 1039 O LEU A 66 113.592 -4.132 0.776 1.00 0.00 O ATOM 1040 CB LEU A 66 114.551 -4.876 -1.940 1.00 0.00 C ATOM 1041 CG LEU A 66 113.234 -4.542 -2.653 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.395 -3.269 -3.493 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.855 -5.705 -3.575 1.00 0.00 C ATOM 0 H LEU A 66 116.107 -5.057 0.130 1.00 0.00 H new ATOM 0 HA LEU A 66 115.205 -2.808 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.315 -5.127 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.416 -5.754 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 66 112.455 -4.382 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.454 -3.042 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.670 -2.437 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.175 -3.421 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.920 -5.475 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.643 -5.856 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.732 -6.613 -2.984 1.00 0.00 H new ATOM 1055 N ILE A 67 113.467 -2.127 -0.118 1.00 0.00 N ATOM 1056 CA ILE A 67 112.433 -1.725 0.873 1.00 0.00 C ATOM 1057 C ILE A 67 111.050 -1.804 0.225 1.00 0.00 C ATOM 1058 O ILE A 67 110.681 -0.970 -0.575 1.00 0.00 O ATOM 1059 CB ILE A 67 112.791 -0.294 1.270 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.176 -0.279 1.923 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.756 0.238 2.261 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.673 1.164 2.032 1.00 0.00 C ATOM 0 H ILE A 67 113.731 -1.413 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 67 112.406 -2.374 1.749 1.00 0.00 H new ATOM 0 HB ILE A 67 112.799 0.337 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.128 -0.734 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.875 -0.872 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.013 1.259 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.769 0.227 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.746 -0.392 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.659 1.175 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.736 1.603 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.978 1.743 2.641 1.00 0.00 H new ATOM 1074 N TYR A 68 110.285 -2.808 0.559 1.00 0.00 N ATOM 1075 CA TYR A 68 108.931 -2.944 -0.051 1.00 0.00 C ATOM 1076 C TYR A 68 107.885 -2.250 0.819 1.00 0.00 C ATOM 1077 O TYR A 68 107.763 -2.516 1.998 1.00 0.00 O ATOM 1078 CB TYR A 68 108.668 -4.451 -0.094 1.00 0.00 C ATOM 1079 CG TYR A 68 107.452 -4.725 -0.945 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.176 -4.702 -0.371 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.602 -5.004 -2.309 1.00 0.00 C ATOM 1082 CE1 TYR A 68 105.048 -4.956 -1.161 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.477 -5.258 -3.098 1.00 0.00 C ATOM 1084 CZ TYR A 68 105.197 -5.234 -2.525 1.00 0.00 C ATOM 1085 OH TYR A 68 104.078 -5.481 -3.299 1.00 0.00 O ATOM 0 H TYR A 68 110.538 -3.538 1.225 1.00 0.00 H new ATOM 0 HA TYR A 68 108.878 -2.487 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.535 -4.971 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.513 -4.833 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.061 -4.488 0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.587 -5.023 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.063 -4.937 -0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.593 -5.473 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 68 104.252 -5.204 -4.223 1.00 0.00 H new ATOM 1095 N VAL A 69 107.144 -1.345 0.246 1.00 0.00 N ATOM 1096 CA VAL A 69 106.121 -0.613 1.040 1.00 0.00 C ATOM 1097 C VAL A 69 104.728 -0.756 0.414 1.00 0.00 C ATOM 1098 O VAL A 69 104.525 -0.540 -0.766 1.00 0.00 O ATOM 1099 CB VAL A 69 106.585 0.853 1.017 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.510 1.761 1.633 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.880 0.989 1.817 1.00 0.00 C ATOM 0 H VAL A 69 107.203 -1.081 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 69 106.035 -1.003 2.054 1.00 0.00 H new ATOM 0 HB VAL A 69 106.755 1.154 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.851 2.796 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.586 1.671 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.328 1.461 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.210 2.028 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.705 0.679 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.650 0.357 1.374 1.00 0.00 H new ATOM 1111 N ALA A 70 103.769 -1.075 1.231 1.00 0.00 N ATOM 1112 CA ALA A 70 102.361 -1.201 0.767 1.00 0.00 C ATOM 1113 C ALA A 70 101.600 0.054 1.195 1.00 0.00 C ATOM 1114 O ALA A 70 101.209 0.183 2.337 1.00 0.00 O ATOM 1115 CB ALA A 70 101.821 -2.424 1.504 1.00 0.00 C ATOM 0 H ALA A 70 103.904 -1.258 2.225 1.00 0.00 H new ATOM 0 HA ALA A 70 102.266 -1.306 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.782 -2.591 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.415 -3.299 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.880 -2.256 2.579 1.00 0.00 H new ATOM 1121 N VAL A 71 101.404 0.989 0.308 1.00 0.00 N ATOM 1122 CA VAL A 71 100.688 2.236 0.706 1.00 0.00 C ATOM 1123 C VAL A 71 99.204 1.952 0.965 1.00 0.00 C ATOM 1124 O VAL A 71 98.533 2.713 1.634 1.00 0.00 O ATOM 1125 CB VAL A 71 100.863 3.200 -0.468 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.352 3.466 -0.689 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.261 2.584 -1.732 1.00 0.00 C ATOM 0 H VAL A 71 101.704 0.947 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 71 101.087 2.653 1.630 1.00 0.00 H new ATOM 0 HB VAL A 71 100.354 4.138 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.479 4.153 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.780 3.907 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.860 2.528 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.387 3.272 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.768 1.645 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.199 2.395 -1.574 1.00 0.00 H new ATOM 1137 N GLU A 72 98.686 0.860 0.471 1.00 0.00 N ATOM 1138 CA GLU A 72 97.250 0.541 0.731 1.00 0.00 C ATOM 1139 C GLU A 72 97.074 0.145 2.200 1.00 0.00 C ATOM 1140 O GLU A 72 96.215 0.654 2.891 1.00 0.00 O ATOM 1141 CB GLU A 72 96.942 -0.634 -0.188 1.00 0.00 C ATOM 1142 CG GLU A 72 97.017 -0.168 -1.640 1.00 0.00 C ATOM 1143 CD GLU A 72 95.903 0.844 -1.911 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.935 0.845 -1.170 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.037 1.603 -2.858 1.00 0.00 O ATOM 0 H GLU A 72 99.189 0.179 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 72 96.585 1.384 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.653 -1.442 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.950 -1.030 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.989 0.284 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.919 -1.021 -2.312 1.00 0.00 H new ATOM 1152 N ASP A 73 97.896 -0.743 2.686 1.00 0.00 N ATOM 1153 CA ASP A 73 97.793 -1.144 4.117 1.00 0.00 C ATOM 1154 C ASP A 73 98.835 -0.385 4.961 1.00 0.00 C ATOM 1155 O ASP A 73 98.982 -0.634 6.140 1.00 0.00 O ATOM 1156 CB ASP A 73 98.068 -2.649 4.133 1.00 0.00 C ATOM 1157 CG ASP A 73 96.904 -3.392 3.467 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.841 -2.804 3.348 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.097 -4.534 3.086 1.00 0.00 O1- ATOM 0 H ASP A 73 98.633 -1.208 2.156 1.00 0.00 H new ATOM 0 HA ASP A 73 96.817 -0.910 4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 73 98.998 -2.864 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.194 -2.995 5.159 1.00 0.00 H new ATOM 1164 N LYS A 74 99.561 0.539 4.367 1.00 0.00 N ATOM 1165 CA LYS A 74 100.584 1.299 5.133 1.00 0.00 C ATOM 1166 C LYS A 74 101.541 0.334 5.836 1.00 0.00 C ATOM 1167 O LYS A 74 101.895 0.520 6.982 1.00 0.00 O ATOM 1168 CB LYS A 74 99.794 2.129 6.146 1.00 0.00 C ATOM 1169 CG LYS A 74 100.614 3.358 6.555 1.00 0.00 C ATOM 1170 CD LYS A 74 99.768 4.253 7.465 1.00 0.00 C ATOM 1171 CE LYS A 74 100.562 5.502 7.858 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.643 6.282 8.734 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.482 0.793 3.382 1.00 0.00 H new ATOM 0 HA LYS A 74 101.196 1.933 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.844 2.441 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.562 1.526 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.521 3.048 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.926 3.912 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.850 4.542 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.475 3.703 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.479 5.237 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.853 6.078 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.117 7.154 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.782 6.525 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.388 5.711 9.565 1.00 0.00 H new ATOM 1186 N THR A 75 101.970 -0.694 5.150 1.00 0.00 N ATOM 1187 CA THR A 75 102.913 -1.670 5.771 1.00 0.00 C ATOM 1188 C THR A 75 104.226 -1.702 4.983 1.00 0.00 C ATOM 1189 O THR A 75 104.241 -1.805 3.775 1.00 0.00 O ATOM 1190 CB THR A 75 102.204 -3.030 5.702 1.00 0.00 C ATOM 1191 OG1 THR A 75 101.061 -3.009 6.543 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.155 -4.147 6.152 1.00 0.00 C ATOM 0 H THR A 75 101.707 -0.899 4.186 1.00 0.00 H new ATOM 0 HA THR A 75 103.162 -1.404 6.798 1.00 0.00 H new ATOM 0 HB THR A 75 101.899 -3.221 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.430 -2.333 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 75 102.640 -5.106 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 75 104.028 -4.167 5.499 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.473 -3.963 7.178 1.00 0.00 H new ATOM 1200 N PHE A 76 105.328 -1.628 5.672 1.00 0.00 N ATOM 1201 CA PHE A 76 106.649 -1.664 4.989 1.00 0.00 C ATOM 1202 C PHE A 76 107.428 -2.917 5.415 1.00 0.00 C ATOM 1203 O PHE A 76 107.485 -3.259 6.581 1.00 0.00 O ATOM 1204 CB PHE A 76 107.371 -0.386 5.446 1.00 0.00 C ATOM 1205 CG PHE A 76 107.675 -0.450 6.926 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.881 -1.014 7.363 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.757 0.045 7.856 1.00 0.00 C ATOM 1208 CE1 PHE A 76 109.167 -1.083 8.729 1.00 0.00 C ATOM 1209 CE2 PHE A 76 107.043 -0.023 9.224 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.248 -0.588 9.660 1.00 0.00 C ATOM 0 H PHE A 76 105.371 -1.543 6.688 1.00 0.00 H new ATOM 0 HA PHE A 76 106.556 -1.706 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.297 -0.263 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.751 0.485 5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.590 -1.396 6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.828 0.480 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 76 110.096 -1.518 9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 76 106.335 0.360 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.468 -0.642 10.716 1.00 0.00 H new ATOM 1220 N VAL A 77 108.048 -3.584 4.487 1.00 0.00 N ATOM 1221 CA VAL A 77 108.843 -4.790 4.835 1.00 0.00 C ATOM 1222 C VAL A 77 110.253 -4.612 4.268 1.00 0.00 C ATOM 1223 O VAL A 77 110.414 -4.169 3.146 1.00 0.00 O ATOM 1224 CB VAL A 77 108.122 -5.961 4.152 1.00 0.00 C ATOM 1225 CG1 VAL A 77 108.988 -7.227 4.224 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.794 -6.221 4.865 1.00 0.00 C ATOM 0 H VAL A 77 108.038 -3.344 3.496 1.00 0.00 H new ATOM 0 HA VAL A 77 108.928 -4.959 5.908 1.00 0.00 H new ATOM 0 HB VAL A 77 107.942 -5.708 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.468 -8.052 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 77 109.937 -7.048 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.175 -7.481 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.279 -7.052 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 77 106.984 -6.469 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.171 -5.328 4.811 1.00 0.00 H new ATOM 1236 N ILE A 78 111.271 -4.956 5.006 1.00 0.00 N ATOM 1237 CA ILE A 78 112.647 -4.801 4.463 1.00 0.00 C ATOM 1238 C ILE A 78 113.282 -6.171 4.220 1.00 0.00 C ATOM 1239 O ILE A 78 113.351 -7.006 5.100 1.00 0.00 O ATOM 1240 CB ILE A 78 113.417 -4.039 5.531 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.734 -2.698 5.796 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.843 -3.794 5.033 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.336 -2.069 7.052 1.00 0.00 C ATOM 0 H ILE A 78 111.211 -5.334 5.952 1.00 0.00 H new ATOM 0 HA ILE A 78 112.651 -4.276 3.508 1.00 0.00 H new ATOM 0 HB ILE A 78 113.440 -4.619 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.867 -2.033 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.661 -2.841 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.404 -3.248 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.330 -4.750 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.812 -3.209 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.853 -1.112 7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.181 -2.733 7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.405 -1.913 6.904 1.00 0.00 H new ATOM 1255 N TYR A 79 113.748 -6.401 3.025 1.00 0.00 N ATOM 1256 CA TYR A 79 114.387 -7.708 2.699 1.00 0.00 C ATOM 1257 C TYR A 79 115.753 -7.482 2.050 1.00 0.00 C ATOM 1258 O TYR A 79 115.856 -6.956 0.959 1.00 0.00 O ATOM 1259 CB TYR A 79 113.432 -8.388 1.716 1.00 0.00 C ATOM 1260 CG TYR A 79 113.971 -9.754 1.363 1.00 0.00 C ATOM 1261 CD1 TYR A 79 113.893 -10.796 2.295 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.556 -9.980 0.109 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.395 -12.062 1.974 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.059 -11.246 -0.210 1.00 0.00 C ATOM 1265 CZ TYR A 79 114.979 -12.287 0.721 1.00 0.00 C ATOM 1266 OH TYR A 79 115.476 -13.535 0.406 1.00 0.00 O ATOM 0 H TYR A 79 113.714 -5.735 2.253 1.00 0.00 H new ATOM 0 HA TYR A 79 114.554 -8.316 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.440 -8.479 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.326 -7.782 0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.445 -10.622 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.618 -9.177 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.332 -12.866 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.510 -11.420 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 79 115.846 -13.520 -0.502 1.00 0.00 H new ATOM 1276 N GLY A 80 116.806 -7.882 2.711 1.00 0.00 N ATOM 1277 CA GLY A 80 118.160 -7.699 2.134 1.00 0.00 C ATOM 1278 C GLY A 80 118.625 -9.021 1.532 1.00 0.00 C ATOM 1279 O GLY A 80 118.061 -10.066 1.783 1.00 0.00 O ATOM 0 H GLY A 80 116.782 -8.328 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.142 -6.923 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 80 118.857 -7.370 2.905 1.00 0.00 H new ATOM 1283 N ASP A 81 119.655 -8.976 0.739 1.00 0.00 N ATOM 1284 CA ASP A 81 120.164 -10.228 0.116 1.00 0.00 C ATOM 1285 C ASP A 81 120.914 -11.052 1.172 1.00 0.00 C ATOM 1286 O ASP A 81 121.085 -10.625 2.298 1.00 0.00 O ATOM 1287 CB ASP A 81 121.096 -9.759 -1.004 1.00 0.00 C ATOM 1288 CG ASP A 81 121.589 -10.960 -1.818 1.00 0.00 C ATOM 1289 OD1 ASP A 81 120.972 -12.009 -1.717 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.570 -10.814 -2.528 1.00 0.00 O ATOM 0 H ASP A 81 120.167 -8.128 0.495 1.00 0.00 H new ATOM 0 HA ASP A 81 119.373 -10.867 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.571 -9.060 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 81 121.946 -9.224 -0.580 1.00 0.00 H new ATOM 1295 N LYS A 82 121.340 -12.234 0.830 1.00 0.00 N ATOM 1296 CA LYS A 82 122.056 -13.090 1.815 1.00 0.00 C ATOM 1297 C LYS A 82 123.325 -12.399 2.331 1.00 0.00 C ATOM 1298 O LYS A 82 123.832 -12.723 3.385 1.00 0.00 O ATOM 1299 CB LYS A 82 122.410 -14.353 1.031 1.00 0.00 C ATOM 1300 CG LYS A 82 121.120 -15.082 0.652 1.00 0.00 C ATOM 1301 CD LYS A 82 121.448 -16.296 -0.217 1.00 0.00 C ATOM 1302 CE LYS A 82 120.147 -16.976 -0.651 1.00 0.00 C ATOM 1303 NZ LYS A 82 119.576 -17.541 0.602 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.222 -12.647 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 82 121.449 -13.299 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 82 122.973 -14.094 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.047 -15.003 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.593 -15.399 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.455 -14.407 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.019 -15.987 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.070 -16.998 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 82 119.463 -16.263 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.336 -17.757 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 118.972 -18.356 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 120.348 -17.848 1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 119.009 -16.814 1.083 1.00 0.00 H new ATOM 1317 N GLY A 83 123.859 -11.464 1.586 1.00 0.00 N ATOM 1318 CA GLY A 83 125.113 -10.782 2.036 1.00 0.00 C ATOM 1319 C GLY A 83 124.850 -9.909 3.260 1.00 0.00 C ATOM 1320 O GLY A 83 125.540 -10.025 4.261 1.00 0.00 O ATOM 0 H GLY A 83 123.485 -11.145 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 83 125.872 -11.528 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.509 -10.170 1.226 1.00 0.00 H new ATOM 1324 N ILE A 84 123.855 -9.049 3.222 1.00 0.00 N ATOM 1325 CA ILE A 84 123.591 -8.213 4.425 1.00 0.00 C ATOM 1326 C ILE A 84 123.211 -9.157 5.562 1.00 0.00 C ATOM 1327 O ILE A 84 123.654 -9.017 6.672 1.00 0.00 O ATOM 1328 CB ILE A 84 122.412 -7.298 4.057 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.836 -6.291 2.983 1.00 0.00 C ATOM 1330 CG2 ILE A 84 121.956 -6.530 5.301 1.00 0.00 C ATOM 1331 CD1 ILE A 84 121.851 -6.366 1.813 1.00 0.00 C ATOM 0 H ILE A 84 123.233 -8.897 2.428 1.00 0.00 H new ATOM 0 HA ILE A 84 124.448 -7.615 4.734 1.00 0.00 H new ATOM 0 HB ILE A 84 121.598 -7.913 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.852 -5.283 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.847 -6.511 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.120 -5.881 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.642 -7.236 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.781 -5.926 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.145 -5.652 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.858 -7.373 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.848 -6.126 2.166 1.00 0.00 H new ATOM 1343 N ASN A 85 122.369 -10.111 5.294 1.00 0.00 N ATOM 1344 CA ASN A 85 121.919 -11.036 6.377 1.00 0.00 C ATOM 1345 C ASN A 85 123.077 -11.857 6.953 1.00 0.00 C ATOM 1346 O ASN A 85 123.112 -12.139 8.135 1.00 0.00 O ATOM 1347 CB ASN A 85 120.895 -11.952 5.712 1.00 0.00 C ATOM 1348 CG ASN A 85 119.649 -11.145 5.342 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.347 -10.148 5.966 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.911 -11.538 4.339 1.00 0.00 N ATOM 0 H ASN A 85 121.970 -10.294 4.373 1.00 0.00 H new ATOM 0 HA ASN A 85 121.505 -10.482 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.324 -12.407 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.627 -12.765 6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.080 -11.007 4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.166 -12.376 3.816 1.00 0.00 H new ATOM 1357 N ASP A 86 124.017 -12.261 6.146 1.00 0.00 N ATOM 1358 CA ASP A 86 125.149 -13.076 6.672 1.00 0.00 C ATOM 1359 C ASP A 86 126.145 -12.236 7.479 1.00 0.00 C ATOM 1360 O ASP A 86 126.908 -12.766 8.264 1.00 0.00 O ATOM 1361 CB ASP A 86 125.821 -13.647 5.423 1.00 0.00 C ATOM 1362 CG ASP A 86 124.969 -14.792 4.859 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.113 -15.282 5.580 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.191 -15.162 3.719 1.00 0.00 O ATOM 0 H ASP A 86 124.051 -12.063 5.146 1.00 0.00 H new ATOM 0 HA ASP A 86 124.797 -13.846 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 86 125.941 -12.866 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.819 -14.009 5.668 1.00 0.00 H new ATOM 1369 N VAL A 87 126.170 -10.940 7.288 1.00 0.00 N ATOM 1370 CA VAL A 87 127.154 -10.113 8.051 1.00 0.00 C ATOM 1371 C VAL A 87 126.484 -9.308 9.176 1.00 0.00 C ATOM 1372 O VAL A 87 127.149 -8.866 10.093 1.00 0.00 O ATOM 1373 CB VAL A 87 127.783 -9.179 7.016 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.428 -10.011 5.906 1.00 0.00 C ATOM 1375 CG2 VAL A 87 126.704 -8.279 6.415 1.00 0.00 C ATOM 0 H VAL A 87 125.563 -10.427 6.649 1.00 0.00 H new ATOM 0 HA VAL A 87 127.894 -10.743 8.544 1.00 0.00 H new ATOM 0 HB VAL A 87 128.542 -8.562 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 87 128.877 -9.347 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.199 -10.652 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 87 127.668 -10.628 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.154 -7.614 5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 87 125.944 -8.894 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.243 -7.686 7.205 1.00 0.00 H new ATOM 1385 N VAL A 88 125.188 -9.109 9.132 1.00 0.00 N ATOM 1386 CA VAL A 88 124.537 -8.328 10.230 1.00 0.00 C ATOM 1387 C VAL A 88 123.464 -9.161 10.945 1.00 0.00 C ATOM 1388 O VAL A 88 123.026 -10.184 10.457 1.00 0.00 O ATOM 1389 CB VAL A 88 123.908 -7.094 9.575 1.00 0.00 C ATOM 1390 CG1 VAL A 88 124.968 -6.340 8.772 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.757 -7.506 8.658 1.00 0.00 C ATOM 0 H VAL A 88 124.564 -9.446 8.399 1.00 0.00 H new ATOM 0 HA VAL A 88 125.270 -8.046 10.986 1.00 0.00 H new ATOM 0 HB VAL A 88 123.515 -6.443 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.517 -5.463 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.772 -6.025 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.371 -6.993 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.321 -6.618 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.132 -8.169 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 88 121.996 -8.025 9.240 1.00 0.00 H new ATOM 1401 N SER A 89 123.060 -8.739 12.109 1.00 0.00 N ATOM 1402 CA SER A 89 122.042 -9.515 12.876 1.00 0.00 C ATOM 1403 C SER A 89 120.701 -8.773 12.956 1.00 0.00 C ATOM 1404 O SER A 89 120.532 -7.699 12.405 1.00 0.00 O ATOM 1405 CB SER A 89 122.642 -9.649 14.273 1.00 0.00 C ATOM 1406 OG SER A 89 123.848 -10.398 14.196 1.00 0.00 O ATOM 0 H SER A 89 123.390 -7.889 12.565 1.00 0.00 H new ATOM 0 HA SER A 89 121.831 -10.473 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.839 -8.663 14.693 1.00 0.00 H new ATOM 0 HB3 SER A 89 121.935 -10.144 14.939 1.00 0.00 H new ATOM 0 HG SER A 89 124.237 -10.485 15.091 1.00 0.00 H new ATOM 1412 N ASP A 90 119.753 -9.330 13.663 1.00 0.00 N ATOM 1413 CA ASP A 90 118.433 -8.653 13.803 1.00 0.00 C ATOM 1414 C ASP A 90 118.606 -7.314 14.521 1.00 0.00 C ATOM 1415 O ASP A 90 117.964 -6.337 14.192 1.00 0.00 O ATOM 1416 CB ASP A 90 117.581 -9.605 14.646 1.00 0.00 C ATOM 1417 CG ASP A 90 116.931 -10.657 13.743 1.00 0.00 C ATOM 1418 OD1 ASP A 90 116.919 -10.457 12.539 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.446 -11.644 14.273 1.00 0.00 O ATOM 0 H ASP A 90 119.837 -10.223 14.148 1.00 0.00 H new ATOM 0 HA ASP A 90 117.972 -8.444 12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.201 -10.092 15.399 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.813 -9.045 15.179 1.00 0.00 H new ATOM 1424 N ASP A 91 119.478 -7.255 15.490 1.00 0.00 N ATOM 1425 CA ASP A 91 119.688 -5.969 16.211 1.00 0.00 C ATOM 1426 C ASP A 91 120.175 -4.908 15.225 1.00 0.00 C ATOM 1427 O ASP A 91 119.764 -3.766 15.274 1.00 0.00 O ATOM 1428 CB ASP A 91 120.751 -6.253 17.275 1.00 0.00 C ATOM 1429 CG ASP A 91 121.033 -4.981 18.087 1.00 0.00 C ATOM 1430 OD1 ASP A 91 120.507 -3.936 17.732 1.00 0.00 O ATOM 1431 OD2 ASP A 91 121.774 -5.073 19.052 1.00 0.00 O1- ATOM 0 H ASP A 91 120.050 -8.036 15.812 1.00 0.00 H new ATOM 0 HA ASP A 91 118.771 -5.596 16.667 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.411 -7.049 17.937 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.668 -6.603 16.801 1.00 0.00 H new ATOM 1436 N PHE A 92 121.031 -5.279 14.313 1.00 0.00 N ATOM 1437 CA PHE A 92 121.518 -4.291 13.313 1.00 0.00 C ATOM 1438 C PHE A 92 120.360 -3.862 12.405 1.00 0.00 C ATOM 1439 O PHE A 92 120.354 -2.778 11.856 1.00 0.00 O ATOM 1440 CB PHE A 92 122.619 -4.996 12.520 1.00 0.00 C ATOM 1441 CG PHE A 92 123.093 -4.091 11.409 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.050 -3.105 11.670 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.567 -4.234 10.120 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.482 -2.261 10.641 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.000 -3.392 9.090 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.957 -2.406 9.351 1.00 0.00 C ATOM 0 H PHE A 92 121.412 -6.220 14.218 1.00 0.00 H new ATOM 0 HA PHE A 92 121.906 -3.387 13.782 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.451 -5.250 13.177 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.243 -5.932 12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.455 -2.995 12.665 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.827 -4.995 9.920 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.220 -1.498 10.842 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.596 -3.503 8.095 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.292 -1.756 8.556 1.00 0.00 H new ATOM 1456 N TRP A 93 119.382 -4.710 12.248 1.00 0.00 N ATOM 1457 CA TRP A 93 118.217 -4.366 11.381 1.00 0.00 C ATOM 1458 C TRP A 93 117.161 -3.593 12.178 1.00 0.00 C ATOM 1459 O TRP A 93 116.334 -2.885 11.636 1.00 0.00 O ATOM 1460 CB TRP A 93 117.649 -5.719 10.949 1.00 0.00 C ATOM 1461 CG TRP A 93 118.222 -6.118 9.628 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.504 -6.489 9.413 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.550 -6.202 8.342 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.661 -6.792 8.071 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.486 -6.627 7.370 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.233 -5.951 7.927 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.127 -6.796 6.033 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 115.869 -6.120 6.585 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.812 -6.540 5.642 1.00 0.00 C ATOM 0 H TRP A 93 119.338 -5.631 12.684 1.00 0.00 H new ATOM 0 HA TRP A 93 118.505 -3.738 10.538 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.881 -6.476 11.698 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.563 -5.661 10.880 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.278 -6.541 10.164 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.539 -7.100 7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.496 -5.626 8.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 118.859 -7.121 5.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 114.853 -5.924 6.276 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.522 -6.667 4.609 1.00 0.00 H new ATOM 1480 N ASP A 94 117.143 -3.783 13.462 1.00 0.00 N ATOM 1481 CA ASP A 94 116.096 -3.133 14.299 1.00 0.00 C ATOM 1482 C ASP A 94 116.085 -1.610 14.159 1.00 0.00 C ATOM 1483 O ASP A 94 115.023 -1.014 14.113 1.00 0.00 O ATOM 1484 CB ASP A 94 116.429 -3.533 15.735 1.00 0.00 C ATOM 1485 CG ASP A 94 115.374 -2.968 16.697 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.531 -2.202 16.253 1.00 0.00 O ATOM 1487 OD2 ASP A 94 115.427 -3.316 17.864 1.00 0.00 O1- ATOM 0 H ASP A 94 117.809 -4.362 13.973 1.00 0.00 H new ATOM 0 HA ASP A 94 115.103 -3.456 13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.465 -4.619 15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.417 -3.159 16.005 1.00 0.00 H new ATOM 1492 N THR A 95 117.223 -0.960 14.111 1.00 0.00 N ATOM 1493 CA THR A 95 117.191 0.528 14.004 1.00 0.00 C ATOM 1494 C THR A 95 116.544 0.922 12.670 1.00 0.00 C ATOM 1495 O THR A 95 115.917 1.952 12.540 1.00 0.00 O ATOM 1496 CB THR A 95 118.646 0.992 14.089 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.384 0.435 13.011 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.250 0.528 15.417 1.00 0.00 C ATOM 0 H THR A 95 118.150 -1.384 14.141 1.00 0.00 H new ATOM 0 HA THR A 95 116.604 0.994 14.795 1.00 0.00 H new ATOM 0 HB THR A 95 118.686 2.080 14.031 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.316 0.733 13.064 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.287 0.858 15.480 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.683 0.955 16.244 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.211 -0.560 15.474 1.00 0.00 H new ATOM 1506 N THR A 96 116.705 0.079 11.682 1.00 0.00 N ATOM 1507 CA THR A 96 116.119 0.347 10.335 1.00 0.00 C ATOM 1508 C THR A 96 114.598 0.469 10.415 1.00 0.00 C ATOM 1509 O THR A 96 113.991 1.392 9.901 1.00 0.00 O ATOM 1510 CB THR A 96 116.450 -0.915 9.534 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.824 -1.239 9.702 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.165 -0.664 8.055 1.00 0.00 C ATOM 0 H THR A 96 117.225 -0.796 11.753 1.00 0.00 H new ATOM 0 HA THR A 96 116.506 1.271 9.904 1.00 0.00 H new ATOM 0 HB THR A 96 115.837 -1.743 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.034 -2.048 9.190 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.400 -1.561 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.112 -0.415 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.780 0.164 7.701 1.00 0.00 H new ATOM 1520 N ARG A 97 113.987 -0.483 11.072 1.00 0.00 N ATOM 1521 CA ARG A 97 112.503 -0.489 11.219 1.00 0.00 C ATOM 1522 C ARG A 97 112.012 0.616 12.155 1.00 0.00 C ATOM 1523 O ARG A 97 110.962 1.191 11.928 1.00 0.00 O ATOM 1524 CB ARG A 97 112.167 -1.873 11.779 1.00 0.00 C ATOM 1525 CG ARG A 97 112.385 -2.915 10.678 1.00 0.00 C ATOM 1526 CD ARG A 97 112.109 -4.319 11.221 1.00 0.00 C ATOM 1527 NE ARG A 97 112.317 -5.219 10.051 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.119 -6.504 10.166 1.00 0.00 C ATOM 1529 NH1 ARG A 97 110.919 -6.995 10.011 1.00 0.00 N ATOM 1530 NH2 ARG A 97 113.120 -7.299 10.430 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.462 -1.267 11.519 1.00 0.00 H new ATOM 0 HA ARG A 97 112.010 -0.296 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.798 -2.095 12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.134 -1.900 12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.727 -2.707 9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.408 -2.855 10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.785 -4.568 12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.094 -4.402 11.610 1.00 0.00 H new ATOM 0 HE ARG A 97 112.615 -4.829 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.137 -6.374 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.763 -7.999 10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.058 -6.916 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.964 -8.303 10.520 1.00 0.00 H new ATOM 1544 N ASN A 98 112.729 0.919 13.208 1.00 0.00 N ATOM 1545 CA ASN A 98 112.240 1.983 14.134 1.00 0.00 C ATOM 1546 C ASN A 98 112.180 3.330 13.405 1.00 0.00 C ATOM 1547 O ASN A 98 111.225 4.069 13.543 1.00 0.00 O ATOM 1548 CB ASN A 98 113.237 2.024 15.294 1.00 0.00 C ATOM 1549 CG ASN A 98 112.984 0.842 16.230 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.949 0.210 16.166 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.894 0.515 17.108 1.00 0.00 N ATOM 0 H ASN A 98 113.616 0.484 13.463 1.00 0.00 H new ATOM 0 HA ASN A 98 111.233 1.776 14.496 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.257 1.986 14.912 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.136 2.962 15.841 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.735 -0.270 17.739 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.764 1.045 17.163 1.00 0.00 H new ATOM 1558 N ALA A 99 113.175 3.662 12.630 1.00 0.00 N ATOM 1559 CA ALA A 99 113.147 4.967 11.898 1.00 0.00 C ATOM 1560 C ALA A 99 111.999 5.014 10.885 1.00 0.00 C ATOM 1561 O ALA A 99 111.231 5.957 10.850 1.00 0.00 O ATOM 1562 CB ALA A 99 114.487 5.023 11.163 1.00 0.00 C ATOM 0 H ALA A 99 114.005 3.091 12.470 1.00 0.00 H new ATOM 0 HA ALA A 99 112.996 5.805 12.578 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.553 5.952 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.301 4.981 11.887 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.564 4.176 10.481 1.00 0.00 H new ATOM 1568 N ILE A 100 111.870 4.011 10.060 1.00 0.00 N ATOM 1569 CA ILE A 100 110.768 4.012 9.051 1.00 0.00 C ATOM 1570 C ILE A 100 109.407 3.884 9.745 1.00 0.00 C ATOM 1571 O ILE A 100 108.455 4.547 9.392 1.00 0.00 O ATOM 1572 CB ILE A 100 111.039 2.791 8.165 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.338 3.002 7.386 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.889 2.611 7.167 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.752 1.682 6.732 1.00 0.00 C ATOM 0 H ILE A 100 112.477 3.192 10.039 1.00 0.00 H new ATOM 0 HA ILE A 100 110.740 4.936 8.474 1.00 0.00 H new ATOM 0 HB ILE A 100 111.123 1.906 8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.199 3.771 6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.124 3.353 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.085 1.742 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.956 2.463 7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.808 3.500 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.678 1.827 6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.906 0.927 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.967 1.351 6.052 1.00 0.00 H new ATOM 1587 N GLN A 101 109.313 3.026 10.723 1.00 0.00 N ATOM 1588 CA GLN A 101 108.013 2.835 11.432 1.00 0.00 C ATOM 1589 C GLN A 101 107.600 4.119 12.153 1.00 0.00 C ATOM 1590 O GLN A 101 106.447 4.505 12.142 1.00 0.00 O ATOM 1591 CB GLN A 101 108.275 1.719 12.442 1.00 0.00 C ATOM 1592 CG GLN A 101 106.972 1.353 13.157 1.00 0.00 C ATOM 1593 CD GLN A 101 107.207 0.134 14.051 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.157 -0.599 13.862 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.375 -0.116 15.026 1.00 0.00 N ATOM 0 H GLN A 101 110.081 2.447 11.063 1.00 0.00 H new ATOM 0 HA GLN A 101 107.205 2.587 10.744 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.681 0.844 11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.022 2.041 13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.624 2.195 13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.192 1.137 12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.577 0.499 15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.523 -0.926 15.628 1.00 0.00 H new ATOM 1604 N LEU A 102 108.527 4.777 12.791 1.00 0.00 N ATOM 1605 CA LEU A 102 108.180 6.025 13.527 1.00 0.00 C ATOM 1606 C LEU A 102 107.682 7.110 12.572 1.00 0.00 C ATOM 1607 O LEU A 102 106.714 7.796 12.847 1.00 0.00 O ATOM 1608 CB LEU A 102 109.479 6.477 14.189 1.00 0.00 C ATOM 1609 CG LEU A 102 109.226 7.773 14.965 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.175 7.525 16.050 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.529 8.246 15.614 1.00 0.00 C ATOM 0 H LEU A 102 109.509 4.505 12.835 1.00 0.00 H new ATOM 0 HA LEU A 102 107.382 5.848 14.248 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.847 5.702 14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.249 6.636 13.434 1.00 0.00 H new ATOM 0 HG LEU A 102 108.865 8.539 14.279 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.996 8.448 16.601 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.246 7.193 15.587 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.534 6.757 16.735 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.347 9.168 16.166 1.00 0.00 H new ATOM 0 HD22 LEU A 102 110.894 7.480 16.298 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.276 8.427 14.841 1.00 0.00 H new ATOM 1623 N GLN A 103 108.334 7.270 11.450 1.00 0.00 N ATOM 1624 CA GLN A 103 107.877 8.320 10.500 1.00 0.00 C ATOM 1625 C GLN A 103 106.592 7.845 9.815 1.00 0.00 C ATOM 1626 O GLN A 103 105.643 8.588 9.670 1.00 0.00 O ATOM 1627 CB GLN A 103 109.023 8.529 9.513 1.00 0.00 C ATOM 1628 CG GLN A 103 109.210 10.029 9.277 1.00 0.00 C ATOM 1629 CD GLN A 103 109.713 10.692 10.555 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.191 11.824 10.932 1.00 0.00 O flip ATOM 1631 NE2 GLN A 103 110.593 10.177 11.214 1.00 0.00 N flip ATOM 0 H GLN A 103 109.147 6.729 11.156 1.00 0.00 H new ATOM 0 HA GLN A 103 107.642 9.265 10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.942 8.092 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.806 8.024 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.920 10.194 8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.266 10.479 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 103 111.000 9.290 10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.925 10.631 12.065 1.00 0.00 H new ATOM 1640 N PHE A 104 106.543 6.595 9.427 1.00 0.00 N ATOM 1641 CA PHE A 104 105.301 6.068 8.793 1.00 0.00 C ATOM 1642 C PHE A 104 104.152 6.229 9.783 1.00 0.00 C ATOM 1643 O PHE A 104 103.048 6.594 9.433 1.00 0.00 O ATOM 1644 CB PHE A 104 105.555 4.580 8.540 1.00 0.00 C ATOM 1645 CG PHE A 104 106.024 4.369 7.118 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.286 4.824 6.716 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.193 3.708 6.202 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.716 4.618 5.399 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.622 3.504 4.884 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.885 3.959 4.483 1.00 0.00 C ATOM 0 H PHE A 104 107.304 5.923 9.522 1.00 0.00 H new ATOM 0 HA PHE A 104 105.051 6.590 7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.305 4.207 9.238 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.642 4.011 8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.927 5.333 7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.221 3.356 6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.690 4.968 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.980 2.997 4.178 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.218 3.802 3.468 1.00 0.00 H new ATOM 1660 N LYS A 105 104.426 5.948 11.031 1.00 0.00 N ATOM 1661 CA LYS A 105 103.384 6.070 12.082 1.00 0.00 C ATOM 1662 C LYS A 105 102.914 7.520 12.186 1.00 0.00 C ATOM 1663 O LYS A 105 101.769 7.790 12.490 1.00 0.00 O ATOM 1664 CB LYS A 105 104.082 5.630 13.368 1.00 0.00 C ATOM 1665 CG LYS A 105 103.075 5.592 14.512 1.00 0.00 C ATOM 1666 CD LYS A 105 103.777 5.103 15.775 1.00 0.00 C ATOM 1667 CE LYS A 105 102.775 5.056 16.931 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.561 4.586 18.104 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.338 5.636 11.365 1.00 0.00 H new ATOM 0 HA LYS A 105 102.500 5.468 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.529 4.645 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.893 6.318 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.653 6.584 14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.246 4.930 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.202 4.113 15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.605 5.767 16.024 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.339 6.038 17.116 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.950 4.378 16.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.941 4.528 18.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.958 3.646 17.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.335 5.255 18.294 1.00 0.00 H new ATOM 1682 N GLN A 106 103.782 8.460 11.915 1.00 0.00 N ATOM 1683 CA GLN A 106 103.383 9.890 11.973 1.00 0.00 C ATOM 1684 C GLN A 106 102.656 10.270 10.675 1.00 0.00 C ATOM 1685 O GLN A 106 101.930 11.244 10.626 1.00 0.00 O ATOM 1686 CB GLN A 106 104.711 10.639 12.078 1.00 0.00 C ATOM 1687 CG GLN A 106 104.463 12.062 12.563 1.00 0.00 C ATOM 1688 CD GLN A 106 104.164 12.042 14.064 1.00 0.00 C ATOM 1689 OE1 GLN A 106 104.659 11.195 14.781 1.00 0.00 O ATOM 1690 NE2 GLN A 106 103.384 12.952 14.576 1.00 0.00 N ATOM 0 H GLN A 106 104.754 8.294 11.655 1.00 0.00 H new ATOM 0 HA GLN A 106 102.710 10.118 12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.378 10.121 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 106 105.207 10.657 11.107 1.00 0.00 H new ATOM 0 HG2 GLN A 106 105.336 12.684 12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 106 103.627 12.503 12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 106 102.968 13.664 13.975 1.00 0.00 H new ATOM 0 HE22 GLN A 106 103.190 12.953 15.577 1.00 0.00 H new ATOM 1699 N GLY A 107 102.834 9.508 9.625 1.00 0.00 N ATOM 1700 CA GLY A 107 102.144 9.831 8.344 1.00 0.00 C ATOM 1701 C GLY A 107 103.143 10.360 7.303 1.00 0.00 C ATOM 1702 O GLY A 107 102.766 10.691 6.197 1.00 0.00 O ATOM 0 H GLY A 107 103.427 8.678 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.648 8.940 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.368 10.576 8.522 1.00 0.00 H new ATOM 1706 N ASN A 108 104.410 10.437 7.629 1.00 0.00 N ATOM 1707 CA ASN A 108 105.400 10.939 6.632 1.00 0.00 C ATOM 1708 C ASN A 108 106.214 9.785 6.044 1.00 0.00 C ATOM 1709 O ASN A 108 107.250 9.407 6.560 1.00 0.00 O ATOM 1710 CB ASN A 108 106.313 11.886 7.407 1.00 0.00 C ATOM 1711 CG ASN A 108 105.581 13.197 7.682 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.596 13.503 7.040 1.00 0.00 O ATOM 1713 ND2 ASN A 108 106.025 13.991 8.616 1.00 0.00 N ATOM 0 H ASN A 108 104.797 10.176 8.536 1.00 0.00 H new ATOM 0 HA ASN A 108 104.907 11.436 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.618 11.425 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.222 12.078 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.545 14.870 8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.852 13.733 9.154 1.00 0.00 H new ATOM 1720 N PHE A 109 105.752 9.232 4.961 1.00 0.00 N ATOM 1721 CA PHE A 109 106.478 8.109 4.310 1.00 0.00 C ATOM 1722 C PHE A 109 107.838 8.567 3.771 1.00 0.00 C ATOM 1723 O PHE A 109 108.812 7.843 3.848 1.00 0.00 O ATOM 1724 CB PHE A 109 105.565 7.682 3.154 1.00 0.00 C ATOM 1725 CG PHE A 109 104.184 7.297 3.671 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.023 6.693 4.932 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.058 7.553 2.878 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.749 6.351 5.391 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.781 7.210 3.341 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.627 6.610 4.596 1.00 0.00 C ATOM 0 H PHE A 109 104.891 9.514 4.493 1.00 0.00 H new ATOM 0 HA PHE A 109 106.683 7.298 5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.475 8.496 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.009 6.838 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.888 6.493 5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.174 8.015 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.630 5.887 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 109 100.914 7.409 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.642 6.347 4.951 1.00 0.00 H new ATOM 1740 N LYS A 110 107.921 9.742 3.203 1.00 0.00 N ATOM 1741 CA LYS A 110 109.233 10.194 2.642 1.00 0.00 C ATOM 1742 C LYS A 110 110.296 10.354 3.737 1.00 0.00 C ATOM 1743 O LYS A 110 111.407 9.879 3.593 1.00 0.00 O ATOM 1744 CB LYS A 110 108.959 11.542 1.973 1.00 0.00 C ATOM 1745 CG LYS A 110 110.263 12.096 1.390 1.00 0.00 C ATOM 1746 CD LYS A 110 110.022 13.495 0.815 1.00 0.00 C ATOM 1747 CE LYS A 110 111.335 14.051 0.258 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.147 15.531 0.233 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.150 10.402 3.103 1.00 0.00 H new ATOM 0 HA LYS A 110 109.624 9.457 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.216 11.424 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.545 12.243 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.029 12.138 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.634 11.431 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.270 13.451 0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.634 14.156 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.180 13.771 0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.537 13.662 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.651 15.931 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.133 15.751 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.526 15.944 1.109 1.00 0.00 H new ATOM 1762 N GLN A 111 109.991 11.035 4.812 1.00 0.00 N ATOM 1763 CA GLN A 111 111.029 11.226 5.869 1.00 0.00 C ATOM 1764 C GLN A 111 111.431 9.877 6.466 1.00 0.00 C ATOM 1765 O GLN A 111 112.589 9.641 6.750 1.00 0.00 O ATOM 1766 CB GLN A 111 110.402 12.139 6.930 1.00 0.00 C ATOM 1767 CG GLN A 111 111.396 12.346 8.080 1.00 0.00 C ATOM 1768 CD GLN A 111 110.791 13.287 9.126 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.814 13.960 8.862 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.338 13.367 10.310 1.00 0.00 N ATOM 0 H GLN A 111 109.084 11.461 5.002 1.00 0.00 H new ATOM 0 HA GLN A 111 111.937 11.674 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 111 110.136 13.099 6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.480 11.696 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.641 11.388 8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.327 12.764 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 111 112.158 12.802 10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 111 110.945 13.994 11.012 1.00 0.00 H new ATOM 1779 N GLY A 112 110.496 8.983 6.661 1.00 0.00 N ATOM 1780 CA GLY A 112 110.857 7.662 7.240 1.00 0.00 C ATOM 1781 C GLY A 112 111.799 6.939 6.281 1.00 0.00 C ATOM 1782 O GLY A 112 112.804 6.386 6.681 1.00 0.00 O ATOM 0 H GLY A 112 109.507 9.112 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.336 7.795 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.960 7.066 7.407 1.00 0.00 H new ATOM 1786 N LEU A 113 111.482 6.942 5.016 1.00 0.00 N ATOM 1787 CA LEU A 113 112.359 6.254 4.029 1.00 0.00 C ATOM 1788 C LEU A 113 113.736 6.928 3.947 1.00 0.00 C ATOM 1789 O LEU A 113 114.754 6.266 3.928 1.00 0.00 O ATOM 1790 CB LEU A 113 111.618 6.371 2.694 1.00 0.00 C ATOM 1791 CG LEU A 113 110.385 5.463 2.710 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.489 5.788 1.511 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.832 4.001 2.624 1.00 0.00 C ATOM 0 H LEU A 113 110.654 7.391 4.624 1.00 0.00 H new ATOM 0 HA LEU A 113 112.546 5.217 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.319 7.405 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.279 6.090 1.874 1.00 0.00 H new ATOM 0 HG LEU A 113 109.829 5.626 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.613 5.140 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.171 6.829 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.045 5.626 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.957 3.352 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.388 3.844 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.470 3.765 3.476 1.00 0.00 H new ATOM 1805 N VAL A 114 113.786 8.234 3.894 1.00 0.00 N ATOM 1806 CA VAL A 114 115.115 8.916 3.807 1.00 0.00 C ATOM 1807 C VAL A 114 115.914 8.716 5.103 1.00 0.00 C ATOM 1808 O VAL A 114 117.089 8.406 5.076 1.00 0.00 O ATOM 1809 CB VAL A 114 114.807 10.405 3.585 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.109 11.216 3.624 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.143 10.596 2.219 1.00 0.00 C ATOM 0 H VAL A 114 112.975 8.853 3.907 1.00 0.00 H new ATOM 0 HA VAL A 114 115.721 8.507 2.999 1.00 0.00 H new ATOM 0 HB VAL A 114 114.136 10.749 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.885 12.271 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.588 11.088 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.779 10.866 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.926 11.653 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.815 10.245 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.215 10.026 2.183 1.00 0.00 H new ATOM 1821 N ASP A 115 115.294 8.911 6.235 1.00 0.00 N ATOM 1822 CA ASP A 115 116.030 8.757 7.525 1.00 0.00 C ATOM 1823 C ASP A 115 116.475 7.307 7.731 1.00 0.00 C ATOM 1824 O ASP A 115 117.591 7.048 8.136 1.00 0.00 O ATOM 1825 CB ASP A 115 115.031 9.183 8.602 1.00 0.00 C ATOM 1826 CG ASP A 115 115.657 9.032 9.995 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.774 8.547 10.081 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 115.004 9.408 10.954 1.00 0.00 O ATOM 0 H ASP A 115 114.311 9.170 6.324 1.00 0.00 H new ATOM 0 HA ASP A 115 116.939 9.358 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.731 10.218 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 115 114.129 8.575 8.533 1.00 0.00 H new ATOM 1833 N GLY A 116 115.622 6.358 7.462 1.00 0.00 N ATOM 1834 CA GLY A 116 116.019 4.936 7.658 1.00 0.00 C ATOM 1835 C GLY A 116 117.252 4.638 6.806 1.00 0.00 C ATOM 1836 O GLY A 116 118.163 3.958 7.235 1.00 0.00 O ATOM 0 H GLY A 116 114.673 6.504 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.234 4.748 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.199 4.275 7.377 1.00 0.00 H new ATOM 1840 N ILE A 117 117.289 5.139 5.604 1.00 0.00 N ATOM 1841 CA ILE A 117 118.466 4.879 4.730 1.00 0.00 C ATOM 1842 C ILE A 117 119.726 5.512 5.338 1.00 0.00 C ATOM 1843 O ILE A 117 120.781 4.911 5.360 1.00 0.00 O ATOM 1844 CB ILE A 117 118.116 5.532 3.393 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.940 4.781 2.765 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.321 5.455 2.450 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.396 5.586 1.583 1.00 0.00 C ATOM 0 H ILE A 117 116.557 5.716 5.189 1.00 0.00 H new ATOM 0 HA ILE A 117 118.675 3.815 4.616 1.00 0.00 H new ATOM 0 HB ILE A 117 117.850 6.576 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.261 3.795 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.156 4.627 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.068 5.921 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.167 5.978 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.587 4.411 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.558 5.052 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.060 6.562 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.182 5.717 0.840 1.00 0.00 H new ATOM 1859 N GLU A 118 119.626 6.719 5.828 1.00 0.00 N ATOM 1860 CA GLU A 118 120.827 7.370 6.425 1.00 0.00 C ATOM 1861 C GLU A 118 121.386 6.489 7.545 1.00 0.00 C ATOM 1862 O GLU A 118 122.565 6.199 7.586 1.00 0.00 O ATOM 1863 CB GLU A 118 120.328 8.711 6.972 1.00 0.00 C ATOM 1864 CG GLU A 118 119.894 9.611 5.811 1.00 0.00 C ATOM 1865 CD GLU A 118 121.111 9.970 4.956 1.00 0.00 C ATOM 1866 OE1 GLU A 118 122.217 9.866 5.461 1.00 0.00 O ATOM 1867 OE2 GLU A 118 120.917 10.348 3.812 1.00 0.00 O1- ATOM 0 H GLU A 118 118.773 7.278 5.841 1.00 0.00 H new ATOM 0 HA GLU A 118 121.631 7.514 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.492 8.549 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.117 9.197 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 118 119.147 9.101 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.427 10.518 6.196 1.00 0.00 H new ATOM 1874 N LYS A 119 120.549 6.043 8.444 1.00 0.00 N ATOM 1875 CA LYS A 119 121.048 5.163 9.540 1.00 0.00 C ATOM 1876 C LYS A 119 121.583 3.860 8.943 1.00 0.00 C ATOM 1877 O LYS A 119 122.628 3.375 9.326 1.00 0.00 O ATOM 1878 CB LYS A 119 119.844 4.902 10.449 1.00 0.00 C ATOM 1879 CG LYS A 119 119.462 6.196 11.171 1.00 0.00 C ATOM 1880 CD LYS A 119 118.265 5.939 12.093 1.00 0.00 C ATOM 1881 CE LYS A 119 117.899 7.232 12.826 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.749 6.868 13.701 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.550 6.248 8.467 1.00 0.00 H new ATOM 0 HA LYS A 119 121.863 5.620 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 119 119.002 4.539 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.084 4.125 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.308 6.563 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.214 6.970 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.414 5.585 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.508 5.157 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.739 7.604 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.627 8.020 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.529 7.664 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.919 6.654 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.996 6.032 14.269 1.00 0.00 H new ATOM 1896 N ALA A 120 120.891 3.305 7.986 1.00 0.00 N ATOM 1897 CA ALA A 120 121.383 2.056 7.344 1.00 0.00 C ATOM 1898 C ALA A 120 122.760 2.306 6.725 1.00 0.00 C ATOM 1899 O ALA A 120 123.633 1.461 6.754 1.00 0.00 O ATOM 1900 CB ALA A 120 120.358 1.741 6.254 1.00 0.00 C ATOM 0 H ALA A 120 120.008 3.663 7.622 1.00 0.00 H new ATOM 0 HA ALA A 120 121.487 1.234 8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.650 0.830 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.377 1.601 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.315 2.568 5.545 1.00 0.00 H new ATOM 1906 N GLY A 121 122.950 3.466 6.151 1.00 0.00 N ATOM 1907 CA GLY A 121 124.256 3.788 5.509 1.00 0.00 C ATOM 1908 C GLY A 121 125.360 3.903 6.561 1.00 0.00 C ATOM 1909 O GLY A 121 126.431 3.350 6.405 1.00 0.00 O ATOM 0 H GLY A 121 122.251 4.207 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.513 3.013 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.174 4.724 4.956 1.00 0.00 H new ATOM 1913 N MET A 122 125.117 4.605 7.637 1.00 0.00 N ATOM 1914 CA MET A 122 126.170 4.727 8.686 1.00 0.00 C ATOM 1915 C MET A 122 126.403 3.366 9.343 1.00 0.00 C ATOM 1916 O MET A 122 127.528 2.947 9.555 1.00 0.00 O ATOM 1917 CB MET A 122 125.624 5.736 9.698 1.00 0.00 C ATOM 1918 CG MET A 122 125.507 7.110 9.033 1.00 0.00 C ATOM 1919 SD MET A 122 124.982 8.340 10.255 1.00 0.00 S ATOM 1920 CE MET A 122 123.222 7.921 10.275 1.00 0.00 C ATOM 0 H MET A 122 124.244 5.094 7.833 1.00 0.00 H new ATOM 0 HA MET A 122 127.126 5.055 8.279 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.649 5.412 10.062 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.284 5.794 10.563 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.466 7.398 8.602 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.789 7.068 8.214 1.00 0.00 H new ATOM 0 HE1 MET A 122 122.667 8.706 10.789 1.00 0.00 H new ATOM 0 HE2 MET A 122 122.858 7.830 9.252 1.00 0.00 H new ATOM 0 HE3 MET A 122 123.079 6.974 10.796 1.00 0.00 H new ATOM 1930 N ALA A 123 125.348 2.659 9.649 1.00 0.00 N ATOM 1931 CA ALA A 123 125.524 1.321 10.273 1.00 0.00 C ATOM 1932 C ALA A 123 126.207 0.393 9.274 1.00 0.00 C ATOM 1933 O ALA A 123 127.151 -0.293 9.599 1.00 0.00 O ATOM 1934 CB ALA A 123 124.113 0.832 10.606 1.00 0.00 C ATOM 0 H ALA A 123 124.382 2.948 9.495 1.00 0.00 H new ATOM 0 HA ALA A 123 126.144 1.350 11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.169 -0.153 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.639 1.531 11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.525 0.768 9.691 1.00 0.00 H new ATOM 1940 N LEU A 124 125.754 0.393 8.049 1.00 0.00 N ATOM 1941 CA LEU A 124 126.398 -0.468 7.020 1.00 0.00 C ATOM 1942 C LEU A 124 127.851 -0.026 6.848 1.00 0.00 C ATOM 1943 O LEU A 124 128.745 -0.835 6.691 1.00 0.00 O ATOM 1944 CB LEU A 124 125.611 -0.213 5.733 1.00 0.00 C ATOM 1945 CG LEU A 124 124.282 -0.969 5.779 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.402 -0.521 4.610 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.546 -2.473 5.669 1.00 0.00 C ATOM 0 H LEU A 124 124.967 0.952 7.718 1.00 0.00 H new ATOM 0 HA LEU A 124 126.394 -1.525 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.428 0.855 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.193 -0.535 4.870 1.00 0.00 H new ATOM 0 HG LEU A 124 123.775 -0.757 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.454 -1.059 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.214 0.550 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.910 -0.735 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.599 -3.012 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 124 125.052 -2.686 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.175 -2.794 6.499 1.00 0.00 H new ATOM 1959 N ALA A 125 128.089 1.259 6.853 1.00 0.00 N ATOM 1960 CA ALA A 125 129.476 1.766 6.667 1.00 0.00 C ATOM 1961 C ALA A 125 130.418 1.150 7.701 1.00 0.00 C ATOM 1962 O ALA A 125 131.571 0.891 7.420 1.00 0.00 O ATOM 1963 CB ALA A 125 129.372 3.280 6.851 1.00 0.00 C ATOM 0 H ALA A 125 127.379 1.980 6.978 1.00 0.00 H new ATOM 0 HA ALA A 125 129.882 1.505 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.357 3.730 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.690 3.691 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.994 3.500 7.849 1.00 0.00 H new ATOM 1969 N LYS A 126 129.943 0.898 8.893 1.00 0.00 N ATOM 1970 CA LYS A 126 130.831 0.285 9.920 1.00 0.00 C ATOM 1971 C LYS A 126 131.283 -1.094 9.433 1.00 0.00 C ATOM 1972 O LYS A 126 132.432 -1.468 9.558 1.00 0.00 O ATOM 1973 CB LYS A 126 129.964 0.172 11.176 1.00 0.00 C ATOM 1974 CG LYS A 126 129.678 1.577 11.709 1.00 0.00 C ATOM 1975 CD LYS A 126 128.810 1.493 12.965 1.00 0.00 C ATOM 1976 CE LYS A 126 128.649 2.899 13.557 1.00 0.00 C ATOM 1977 NZ LYS A 126 127.632 3.584 12.700 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.988 1.089 9.196 1.00 0.00 H new ATOM 0 HA LYS A 126 131.731 0.869 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.030 -0.341 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.474 -0.422 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.614 2.086 11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 126 129.172 2.168 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.834 1.074 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.269 0.827 13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 126 128.319 2.852 14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.596 3.439 13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 128.002 4.506 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 127.429 2.997 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 126.758 3.726 13.245 1.00 0.00 H new ATOM 1991 N TYR A 127 130.382 -1.837 8.851 1.00 0.00 N ATOM 1992 CA TYR A 127 130.746 -3.181 8.319 1.00 0.00 C ATOM 1993 C TYR A 127 131.601 -3.029 7.055 1.00 0.00 C ATOM 1994 O TYR A 127 132.571 -3.734 6.859 1.00 0.00 O ATOM 1995 CB TYR A 127 129.415 -3.862 7.998 1.00 0.00 C ATOM 1996 CG TYR A 127 128.734 -4.280 9.282 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.993 -3.349 10.016 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.840 -5.600 9.734 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.357 -3.734 11.204 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.203 -5.987 10.921 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.462 -5.055 11.656 1.00 0.00 C ATOM 2002 OH TYR A 127 126.833 -5.436 12.824 1.00 0.00 O ATOM 0 H TYR A 127 129.406 -1.570 8.721 1.00 0.00 H new ATOM 0 HA TYR A 127 131.331 -3.764 9.030 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.773 -3.181 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.584 -4.733 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.910 -2.330 9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.412 -6.320 9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.787 -3.013 11.770 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.284 -7.006 11.269 1.00 0.00 H new ATOM 0 HH TYR A 127 127.006 -6.386 12.994 1.00 0.00 H new ATOM 2012 N PHE A 128 131.253 -2.099 6.202 1.00 0.00 N ATOM 2013 CA PHE A 128 132.046 -1.890 4.958 1.00 0.00 C ATOM 2014 C PHE A 128 132.380 -0.402 4.793 1.00 0.00 C ATOM 2015 O PHE A 128 131.558 0.366 4.336 1.00 0.00 O ATOM 2016 CB PHE A 128 131.155 -2.368 3.815 1.00 0.00 C ATOM 2017 CG PHE A 128 131.028 -3.868 3.879 1.00 0.00 C ATOM 2018 CD1 PHE A 128 132.103 -4.680 3.495 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.837 -4.447 4.325 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.983 -6.073 3.559 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.717 -5.839 4.389 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.790 -6.653 4.005 1.00 0.00 C ATOM 0 H PHE A 128 130.453 -1.476 6.316 1.00 0.00 H new ATOM 0 HA PHE A 128 132.991 -2.433 4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.171 -1.904 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.580 -2.068 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 128 133.023 -4.232 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 128 129.009 -3.820 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.811 -6.700 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.797 -6.286 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.697 -7.728 4.053 1.00 0.00 H new ATOM 2032 N PRO A 129 133.589 -0.039 5.161 1.00 0.00 N ATOM 2033 CA PRO A 129 134.023 1.372 5.035 1.00 0.00 C ATOM 2034 C PRO A 129 134.153 1.743 3.561 1.00 0.00 C ATOM 2035 O PRO A 129 134.430 0.915 2.718 1.00 0.00 O ATOM 2036 CB PRO A 129 135.380 1.398 5.736 1.00 0.00 C ATOM 2037 CG PRO A 129 135.878 -0.006 5.647 1.00 0.00 C ATOM 2038 CD PRO A 129 134.661 -0.888 5.712 1.00 0.00 C ATOM 0 HA PRO A 129 133.322 2.085 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.064 2.093 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.284 1.719 6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.426 -0.167 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.564 -0.228 6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.793 -1.798 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.443 -1.196 6.735 1.00 0.00 H new ATOM 2046 N TRP A 130 133.938 2.986 3.248 1.00 0.00 N ATOM 2047 CA TRP A 130 134.025 3.427 1.832 1.00 0.00 C ATOM 2048 C TRP A 130 135.477 3.517 1.367 1.00 0.00 C ATOM 2049 O TRP A 130 136.329 4.052 2.049 1.00 0.00 O ATOM 2050 CB TRP A 130 133.407 4.816 1.825 1.00 0.00 C ATOM 2051 CG TRP A 130 133.308 5.268 0.410 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.414 4.800 -0.490 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.124 6.248 -0.286 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.615 5.448 -1.694 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.663 6.349 -1.620 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.204 7.057 0.109 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.258 7.221 -2.533 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.806 7.934 -0.807 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.333 8.018 -2.124 1.00 0.00 C ATOM 0 H TRP A 130 133.704 3.721 3.916 1.00 0.00 H new ATOM 0 HA TRP A 130 133.522 2.727 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.421 4.797 2.289 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.018 5.508 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.666 4.044 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 130 132.060 5.283 -2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.572 7.003 1.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.892 7.280 -3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.638 8.548 -0.495 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.798 8.698 -2.823 1.00 0.00 H new ATOM 2070 N LYS A 131 135.758 3.031 0.189 1.00 0.00 N ATOM 2071 CA LYS A 131 137.145 3.127 -0.337 1.00 0.00 C ATOM 2072 C LYS A 131 137.159 4.066 -1.547 1.00 0.00 C ATOM 2073 O LYS A 131 136.161 4.241 -2.218 1.00 0.00 O ATOM 2074 CB LYS A 131 137.545 1.705 -0.734 1.00 0.00 C ATOM 2075 CG LYS A 131 137.552 0.818 0.510 1.00 0.00 C ATOM 2076 CD LYS A 131 138.003 -0.596 0.138 1.00 0.00 C ATOM 2077 CE LYS A 131 137.968 -1.476 1.389 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.417 -2.822 0.931 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.088 2.573 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 131 137.844 3.529 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.846 1.311 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.531 1.708 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.221 1.236 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.556 0.787 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.350 -1.009 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 131 139.010 -0.573 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.626 -1.084 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.965 -1.518 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.418 -3.480 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.768 -3.173 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.378 -2.753 0.539 1.00 0.00 H new ATOM 2092 N LYS A 132 138.259 4.709 -1.797 1.00 0.00 N ATOM 2093 CA LYS A 132 138.314 5.683 -2.927 1.00 0.00 C ATOM 2094 C LYS A 132 138.006 5.002 -4.257 1.00 0.00 C ATOM 2095 O LYS A 132 137.465 5.614 -5.158 1.00 0.00 O ATOM 2096 CB LYS A 132 139.737 6.234 -2.911 1.00 0.00 C ATOM 2097 CG LYS A 132 139.952 7.034 -1.627 1.00 0.00 C ATOM 2098 CD LYS A 132 141.374 7.592 -1.603 1.00 0.00 C ATOM 2099 CE LYS A 132 141.591 8.382 -0.311 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.007 8.835 -0.375 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.126 4.606 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 132 137.571 6.473 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.457 5.417 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.904 6.869 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.230 7.848 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.786 6.398 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.096 6.778 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.538 8.236 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.908 9.229 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.414 7.761 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.234 9.385 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.634 8.007 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.144 9.429 -1.217 1.00 0.00 H new ATOM 2114 N ASP A 133 138.337 3.748 -4.394 1.00 0.00 N ATOM 2115 CA ASP A 133 138.036 3.057 -5.676 1.00 0.00 C ATOM 2116 C ASP A 133 136.655 2.381 -5.624 1.00 0.00 C ATOM 2117 O ASP A 133 136.277 1.661 -6.526 1.00 0.00 O ATOM 2118 CB ASP A 133 139.164 2.047 -5.863 1.00 0.00 C ATOM 2119 CG ASP A 133 140.486 2.800 -6.044 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.439 3.961 -6.425 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.522 2.208 -5.794 1.00 0.00 O1- ATOM 0 H ASP A 133 138.797 3.179 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 133 137.988 3.749 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.223 1.385 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.967 1.419 -6.732 1.00 0.00 H new ATOM 2126 N ASP A 134 135.892 2.624 -4.569 1.00 0.00 N ATOM 2127 CA ASP A 134 134.531 2.025 -4.440 1.00 0.00 C ATOM 2128 C ASP A 134 133.757 2.102 -5.755 1.00 0.00 C ATOM 2129 O ASP A 134 133.842 3.066 -6.491 1.00 0.00 O ATOM 2130 CB ASP A 134 133.825 2.903 -3.409 1.00 0.00 C ATOM 2131 CG ASP A 134 132.439 2.316 -3.090 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.062 1.334 -3.717 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.774 2.864 -2.230 1.00 0.00 O1- ATOM 0 H ASP A 134 136.168 3.220 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 134 134.589 0.973 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.423 2.965 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.721 3.918 -3.792 1.00 0.00 H new ATOM 2138 N ILE A 135 133.023 1.083 -6.051 1.00 0.00 N ATOM 2139 CA ILE A 135 132.237 1.057 -7.326 1.00 0.00 C ATOM 2140 C ILE A 135 130.724 1.064 -7.047 1.00 0.00 C ATOM 2141 O ILE A 135 130.254 0.529 -6.063 1.00 0.00 O ATOM 2142 CB ILE A 135 132.657 -0.241 -8.080 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.908 -1.437 -7.121 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.943 0.038 -8.863 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.665 -1.719 -6.269 1.00 0.00 C ATOM 0 H ILE A 135 132.924 0.252 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 135 132.444 1.943 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 135 131.836 -0.516 -8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.168 -2.324 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.757 -1.218 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.248 -0.863 -9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.766 0.840 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.732 0.336 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.862 -2.560 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.423 -0.837 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.825 -1.960 -6.920 1.00 0.00 H new ATOM 2157 N ASP A 136 129.953 1.694 -7.894 1.00 0.00 N ATOM 2158 CA ASP A 136 128.478 1.742 -7.658 1.00 0.00 C ATOM 2159 C ASP A 136 127.760 0.676 -8.498 1.00 0.00 C ATOM 2160 O ASP A 136 127.410 0.892 -9.640 1.00 0.00 O ATOM 2161 CB ASP A 136 128.041 3.145 -8.093 1.00 0.00 C ATOM 2162 CG ASP A 136 128.393 3.374 -9.568 1.00 0.00 C ATOM 2163 OD1 ASP A 136 129.139 2.576 -10.116 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 127.911 4.345 -10.127 1.00 0.00 O ATOM 0 H ASP A 136 130.277 2.174 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 136 128.231 1.543 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 136 126.967 3.262 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.532 3.896 -7.473 1.00 0.00 H new ATOM 2169 N GLU A 137 127.550 -0.481 -7.935 1.00 0.00 N ATOM 2170 CA GLU A 137 126.868 -1.575 -8.688 1.00 0.00 C ATOM 2171 C GLU A 137 125.395 -1.254 -8.951 1.00 0.00 C ATOM 2172 O GLU A 137 124.851 -1.611 -9.978 1.00 0.00 O ATOM 2173 CB GLU A 137 126.973 -2.799 -7.782 1.00 0.00 C ATOM 2174 CG GLU A 137 128.425 -3.281 -7.732 1.00 0.00 C ATOM 2175 CD GLU A 137 128.549 -4.484 -6.785 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.545 -4.878 -6.218 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.649 -4.989 -6.647 1.00 0.00 O1- ATOM 0 H GLU A 137 127.822 -0.719 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 137 127.329 -1.723 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.627 -2.551 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.328 -3.595 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.759 -3.559 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.073 -2.473 -7.393 1.00 0.00 H new ATOM 2184 N LEU A 138 124.736 -0.611 -8.029 1.00 0.00 N ATOM 2185 CA LEU A 138 123.292 -0.308 -8.237 1.00 0.00 C ATOM 2186 C LEU A 138 123.058 1.191 -8.465 1.00 0.00 C ATOM 2187 O LEU A 138 123.725 2.014 -7.873 1.00 0.00 O ATOM 2188 CB LEU A 138 122.618 -0.750 -6.936 1.00 0.00 C ATOM 2189 CG LEU A 138 122.081 -2.183 -7.072 1.00 0.00 C ATOM 2190 CD1 LEU A 138 120.958 -2.218 -8.111 1.00 0.00 C ATOM 2191 CD2 LEU A 138 123.212 -3.126 -7.504 1.00 0.00 C ATOM 0 H LEU A 138 125.130 -0.284 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 138 122.898 -0.816 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.331 -0.699 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.801 -0.070 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 138 121.691 -2.510 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 138 120.580 -3.236 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 138 120.150 -1.558 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 138 121.343 -1.884 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 138 122.824 -4.140 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 138 123.611 -2.799 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 138 124.005 -3.109 -6.757 1.00 0.00 H new ATOM 2203 N PRO A 139 122.086 1.504 -9.296 1.00 0.00 N ATOM 2204 CA PRO A 139 121.751 2.922 -9.553 1.00 0.00 C ATOM 2205 C PRO A 139 121.059 3.477 -8.312 1.00 0.00 C ATOM 2206 O PRO A 139 121.053 2.838 -7.277 1.00 0.00 O ATOM 2207 CB PRO A 139 120.800 2.861 -10.748 1.00 0.00 C ATOM 2208 CG PRO A 139 120.197 1.493 -10.697 1.00 0.00 C ATOM 2209 CD PRO A 139 121.217 0.588 -10.057 1.00 0.00 C ATOM 0 HA PRO A 139 122.608 3.562 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 139 120.033 3.633 -10.681 1.00 0.00 H new ATOM 0 HB3 PRO A 139 121.333 3.022 -11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.272 1.500 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.946 1.144 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.744 -0.146 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.782 0.033 -10.806 1.00 0.00 H new ATOM 2217 N ASN A 140 120.459 4.632 -8.386 1.00 0.00 N ATOM 2218 CA ASN A 140 119.751 5.168 -7.190 1.00 0.00 C ATOM 2219 C ASN A 140 118.273 5.446 -7.528 1.00 0.00 C ATOM 2220 O ASN A 140 117.534 5.963 -6.713 1.00 0.00 O ATOM 2221 CB ASN A 140 120.496 6.459 -6.844 1.00 0.00 C ATOM 2222 CG ASN A 140 120.436 7.424 -8.028 1.00 0.00 C ATOM 2223 OD1 ASN A 140 119.421 8.047 -8.270 1.00 0.00 O ATOM 2224 ND2 ASN A 140 121.489 7.570 -8.786 1.00 0.00 N ATOM 0 H ASN A 140 120.428 5.224 -9.216 1.00 0.00 H new ATOM 0 HA ASN A 140 119.748 4.470 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.051 6.922 -5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 140 121.534 6.236 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 140 121.460 8.207 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.341 7.047 -8.582 1.00 0.00 H new ATOM 2231 N THR A 141 117.838 5.110 -8.722 1.00 0.00 N ATOM 2232 CA THR A 141 116.420 5.355 -9.107 1.00 0.00 C ATOM 2233 C THR A 141 115.477 4.564 -8.192 1.00 0.00 C ATOM 2234 O THR A 141 115.900 3.717 -7.431 1.00 0.00 O ATOM 2235 CB THR A 141 116.325 4.855 -10.554 1.00 0.00 C ATOM 2236 OG1 THR A 141 117.423 5.368 -11.298 1.00 0.00 O ATOM 2237 CG2 THR A 141 115.019 5.329 -11.185 1.00 0.00 C ATOM 0 H THR A 141 118.411 4.675 -9.445 1.00 0.00 H new ATOM 0 HA THR A 141 116.134 6.403 -9.015 1.00 0.00 H new ATOM 0 HB THR A 141 116.349 3.765 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 141 117.368 5.050 -12.223 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.960 4.970 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 141 114.176 4.938 -10.615 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.987 6.419 -11.179 1.00 0.00 H new ATOM 2245 N ILE A 142 114.205 4.850 -8.253 1.00 0.00 N ATOM 2246 CA ILE A 142 113.226 4.135 -7.381 1.00 0.00 C ATOM 2247 C ILE A 142 112.449 3.088 -8.190 1.00 0.00 C ATOM 2248 O ILE A 142 112.061 3.324 -9.315 1.00 0.00 O ATOM 2249 CB ILE A 142 112.289 5.227 -6.870 1.00 0.00 C ATOM 2250 CG1 ILE A 142 113.084 6.218 -6.016 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.184 4.597 -6.018 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.238 7.466 -5.767 1.00 0.00 C ATOM 0 H ILE A 142 113.799 5.551 -8.872 1.00 0.00 H new ATOM 0 HA ILE A 142 113.713 3.599 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 142 111.842 5.748 -7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.361 5.758 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 142 114.011 6.489 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.516 5.377 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.618 3.888 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.630 4.077 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.803 8.173 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.984 7.929 -6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.323 7.187 -5.244 1.00 0.00 H new ATOM 2264 N SER A 143 112.200 1.942 -7.615 1.00 0.00 N ATOM 2265 CA SER A 143 111.427 0.892 -8.342 1.00 0.00 C ATOM 2266 C SER A 143 109.946 0.995 -7.975 1.00 0.00 C ATOM 2267 O SER A 143 109.588 1.173 -6.828 1.00 0.00 O ATOM 2268 CB SER A 143 112.001 -0.442 -7.869 1.00 0.00 C ATOM 2269 OG SER A 143 111.239 -1.504 -8.432 1.00 0.00 O ATOM 0 H SER A 143 112.498 1.687 -6.673 1.00 0.00 H new ATOM 0 HA SER A 143 111.505 0.999 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 143 113.045 -0.529 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.976 -0.497 -6.781 1.00 0.00 H new ATOM 0 HG SER A 143 110.408 -1.616 -7.924 1.00 0.00 H new ATOM 2275 N LYS A 144 109.081 0.891 -8.947 1.00 0.00 N ATOM 2276 CA LYS A 144 107.626 0.989 -8.655 1.00 0.00 C ATOM 2277 C LYS A 144 106.881 -0.215 -9.240 1.00 0.00 C ATOM 2278 O LYS A 144 107.139 -0.636 -10.350 1.00 0.00 O ATOM 2279 CB LYS A 144 107.175 2.280 -9.334 1.00 0.00 C ATOM 2280 CG LYS A 144 105.721 2.559 -8.960 1.00 0.00 C ATOM 2281 CD LYS A 144 105.285 3.887 -9.570 1.00 0.00 C ATOM 2282 CE LYS A 144 103.837 4.177 -9.170 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.474 5.459 -9.851 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.320 0.743 -9.928 1.00 0.00 H new ATOM 0 HA LYS A 144 107.420 0.996 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.809 3.110 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.275 2.191 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 144 105.081 1.754 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.613 2.592 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.937 4.690 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.373 3.848 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 144 103.176 3.368 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 144 103.741 4.268 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.892 6.038 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 104.340 5.979 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 102.937 5.252 -10.717 1.00 0.00 H new ATOM 2297 N GLY A 145 105.962 -0.773 -8.501 1.00 0.00 N ATOM 2298 CA GLY A 145 105.206 -1.951 -9.015 1.00 0.00 C ATOM 2299 C GLY A 145 104.483 -1.574 -10.309 1.00 0.00 C ATOM 2300 O GLY A 145 104.567 -2.339 -11.256 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.858 -0.526 -10.333 1.00 0.00 O ATOM 0 H GLY A 145 105.702 -0.465 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.888 -2.782 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.486 -2.287 -8.269 1.00 0.00 H new TER 2305 GLY A 145