USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 13 MET CE :methyl 176:sc= 0 (180deg=-0.00963) USER MOD Set 1.2: A 35 SER OG : rot -35:sc= 0.432 USER MOD Single : A 4 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 0.294 (180deg=0.179) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 CYS SG : rot -175:sc= 1.48 USER MOD Single : A 20 THR OG1 : rot -51:sc= 0.261 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 0.111 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.929 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 76:sc= 0.254 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 72:sc= 0.129 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -87:sc= 0.725 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 134:sc= 0.453 USER MOD Single : A 72 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-0.9) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 22.195 25.210 30.213 1.00 0.00 N ATOM 47 CA ASN A 4 21.956 23.789 30.413 1.00 0.00 C ATOM 48 C ASN A 4 23.264 23.039 30.620 1.00 0.00 C ATOM 49 O ASN A 4 24.349 23.586 30.421 1.00 0.00 O ATOM 50 CB ASN A 4 21.201 23.208 29.215 1.00 0.00 C ATOM 51 CG ASN A 4 19.760 23.674 29.152 1.00 0.00 C ATOM 52 OD1 ASN A 4 19.179 24.070 30.163 1.00 0.00 O ATOM 53 ND2 ASN A 4 19.175 23.630 27.961 1.00 0.00 N ATOM 0 HA ASN A 4 21.349 23.670 31.310 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.712 23.493 28.295 1.00 0.00 H new ATOM 0 HB3 ASN A 4 21.225 22.120 29.268 1.00 0.00 H new ATOM 0 HD21 ASN A 4 18.206 23.932 27.857 1.00 0.00 H new ATOM 0 HD22 ASN A 4 19.694 23.295 27.150 1.00 0.00 H new ATOM 60 N LYS A 5 23.146 21.778 31.025 1.00 0.00 N ATOM 61 CA LYS A 5 24.294 20.924 31.321 1.00 0.00 C ATOM 62 C LYS A 5 25.207 20.687 30.097 1.00 0.00 C ATOM 63 O LYS A 5 24.732 20.725 28.952 1.00 0.00 O ATOM 64 CB LYS A 5 23.803 19.580 31.868 1.00 0.00 C ATOM 65 CG LYS A 5 24.860 18.760 32.591 1.00 0.00 C ATOM 66 CD LYS A 5 24.249 17.535 33.253 1.00 0.00 C ATOM 67 CE LYS A 5 25.303 16.693 33.954 1.00 0.00 C ATOM 68 NZ LYS A 5 24.718 15.476 34.582 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.246 21.316 31.158 1.00 0.00 H new ATOM 0 HA LYS A 5 24.896 21.445 32.066 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.975 19.763 32.552 1.00 0.00 H new ATOM 0 HB3 LYS A 5 23.408 18.990 31.041 1.00 0.00 H new ATOM 0 HG2 LYS A 5 25.629 18.449 31.884 1.00 0.00 H new ATOM 0 HG3 LYS A 5 25.350 19.377 33.344 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.494 17.849 33.974 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.740 16.931 32.502 1.00 0.00 H new ATOM 0 HE2 LYS A 5 26.068 16.398 33.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 25.797 17.293 34.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.470 14.930 35.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.006 15.757 35.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.268 14.890 33.850 1.00 0.00 H new ATOM 82 N ASN A 6 26.505 20.481 30.380 1.00 0.00 N ATOM 83 CA ASN A 6 27.623 20.262 29.433 1.00 0.00 C ATOM 84 C ASN A 6 28.097 21.440 28.566 1.00 0.00 C ATOM 85 O ASN A 6 29.303 21.582 28.364 1.00 0.00 O ATOM 86 CB ASN A 6 27.418 19.065 28.478 1.00 0.00 C ATOM 87 CG ASN A 6 28.682 18.690 27.730 1.00 0.00 C ATOM 88 OD1 ASN A 6 29.791 18.859 28.237 1.00 0.00 O ATOM 89 ND2 ASN A 6 28.521 18.178 26.515 1.00 0.00 N ATOM 0 H ASN A 6 26.829 20.461 31.347 1.00 0.00 H new ATOM 0 HA ASN A 6 28.406 20.074 30.167 1.00 0.00 H new ATOM 0 HB2 ASN A 6 27.070 18.205 29.050 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.635 19.308 27.760 1.00 0.00 H new ATOM 0 HD21 ASN A 6 29.335 17.908 25.964 1.00 0.00 H new ATOM 0 HD22 ASN A 6 27.583 18.055 26.133 1.00 0.00 H new ATOM 96 N GLU A 7 27.203 22.281 28.051 1.00 0.00 N ATOM 97 CA GLU A 7 27.683 23.398 27.244 1.00 0.00 C ATOM 98 C GLU A 7 28.169 24.357 28.329 1.00 0.00 C ATOM 99 O GLU A 7 29.328 24.771 28.329 1.00 0.00 O ATOM 100 CB GLU A 7 26.574 23.978 26.366 1.00 0.00 C ATOM 101 CG GLU A 7 26.125 23.053 25.246 1.00 0.00 C ATOM 102 CD GLU A 7 25.070 23.683 24.359 1.00 0.00 C ATOM 103 OE1 GLU A 7 24.623 24.806 24.671 1.00 0.00 O ATOM 104 OE2 GLU A 7 24.689 23.055 23.349 1.00 0.00 O ATOM 0 H GLU A 7 26.192 22.218 28.169 1.00 0.00 H new ATOM 0 HA GLU A 7 28.457 23.144 26.520 1.00 0.00 H new ATOM 0 HB2 GLU A 7 25.715 24.216 26.993 1.00 0.00 H new ATOM 0 HB3 GLU A 7 26.921 24.916 25.932 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.988 22.778 24.639 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.731 22.132 25.676 1.00 0.00 H new ATOM 111 N TYR A 8 27.277 24.702 29.251 1.00 0.00 N ATOM 112 CA TYR A 8 27.650 25.543 30.391 1.00 0.00 C ATOM 113 C TYR A 8 28.660 24.919 31.367 1.00 0.00 C ATOM 114 O TYR A 8 29.353 25.649 32.069 1.00 0.00 O ATOM 115 CB TYR A 8 26.360 26.016 31.076 1.00 0.00 C ATOM 116 CG TYR A 8 26.552 27.103 32.113 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.970 28.390 31.717 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.313 26.839 33.473 1.00 0.00 C ATOM 119 CE1 TYR A 8 27.247 29.375 32.682 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.596 27.816 34.439 1.00 0.00 C ATOM 121 CZ TYR A 8 27.086 29.074 34.051 1.00 0.00 C ATOM 122 OH TYR A 8 27.411 29.987 34.998 1.00 0.00 O ATOM 0 H TYR A 8 26.298 24.417 29.236 1.00 0.00 H new ATOM 0 HA TYR A 8 28.206 26.397 30.006 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.672 26.380 30.312 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.883 25.159 31.552 1.00 0.00 H new ATOM 0 HD1 TYR A 8 27.078 28.621 30.667 1.00 0.00 H new ATOM 0 HD2 TYR A 8 25.911 25.883 33.774 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.581 30.356 32.377 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.437 27.600 35.485 1.00 0.00 H new ATOM 0 HH TYR A 8 27.236 29.613 35.887 1.00 0.00 H new ATOM 132 N LYS A 9 28.845 23.588 31.324 1.00 0.00 N ATOM 133 CA LYS A 9 29.868 22.838 32.070 1.00 0.00 C ATOM 134 C LYS A 9 31.262 23.482 31.961 1.00 0.00 C ATOM 135 O LYS A 9 31.947 23.614 32.967 1.00 0.00 O ATOM 136 CB LYS A 9 29.888 21.387 31.556 1.00 0.00 C ATOM 137 CG LYS A 9 30.904 20.494 32.287 1.00 0.00 C ATOM 138 CD LYS A 9 30.700 19.012 31.923 1.00 0.00 C ATOM 139 CE LYS A 9 31.588 18.113 32.796 1.00 0.00 C ATOM 140 NZ LYS A 9 31.046 16.740 32.957 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.263 22.982 30.746 1.00 0.00 H new ATOM 0 HA LYS A 9 29.609 22.855 33.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.892 20.957 31.666 1.00 0.00 H new ATOM 0 HB3 LYS A 9 30.118 21.390 30.491 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.917 20.800 32.025 1.00 0.00 H new ATOM 0 HG3 LYS A 9 30.800 20.625 33.364 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.653 18.740 32.058 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.937 18.855 30.871 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.583 18.055 32.354 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.702 18.570 33.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.688 16.181 33.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.109 16.787 33.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.962 16.288 32.024 1.00 0.00 H new ATOM 154 N ILE A 10 31.646 23.947 30.765 1.00 0.00 N ATOM 155 CA ILE A 10 32.896 24.692 30.514 1.00 0.00 C ATOM 156 C ILE A 10 32.869 26.077 31.174 1.00 0.00 C ATOM 157 O ILE A 10 33.802 26.464 31.875 1.00 0.00 O ATOM 158 CB ILE A 10 33.112 24.861 28.989 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.414 23.532 28.269 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.258 25.851 28.696 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.174 22.823 27.714 1.00 0.00 C ATOM 0 H ILE A 10 31.086 23.815 29.923 1.00 0.00 H new ATOM 0 HA ILE A 10 33.715 24.119 30.948 1.00 0.00 H new ATOM 0 HB ILE A 10 32.169 25.249 28.603 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.106 23.725 27.449 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.921 22.862 28.964 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.387 25.950 27.618 1.00 0.00 H new ATOM 0 HG22 ILE A 10 34.016 26.824 29.123 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.182 25.480 29.139 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.474 21.897 27.223 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.489 22.596 28.531 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.676 23.471 26.993 1.00 0.00 H new ATOM 173 N LEU A 11 31.799 26.831 30.925 1.00 0.00 N ATOM 174 CA LEU A 11 31.610 28.215 31.380 1.00 0.00 C ATOM 175 C LEU A 11 31.579 28.352 32.919 1.00 0.00 C ATOM 176 O LEU A 11 31.807 29.436 33.455 1.00 0.00 O ATOM 177 CB LEU A 11 30.332 28.754 30.711 1.00 0.00 C ATOM 178 CG LEU A 11 30.543 29.169 29.231 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.209 29.284 28.500 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.270 30.511 29.107 1.00 0.00 C ATOM 0 H LEU A 11 31.009 26.485 30.381 1.00 0.00 H new ATOM 0 HA LEU A 11 32.469 28.815 31.080 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.555 27.991 30.760 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.970 29.614 31.274 1.00 0.00 H new ATOM 0 HG LEU A 11 31.155 28.387 28.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.385 29.576 27.465 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.697 28.322 28.523 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.590 30.036 28.989 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.395 30.761 28.053 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.684 31.289 29.597 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.248 30.440 29.582 1.00 0.00 H new ATOM 192 N ILE A 12 31.364 27.244 33.628 1.00 0.00 N ATOM 193 CA ILE A 12 31.419 27.150 35.097 1.00 0.00 C ATOM 194 C ILE A 12 32.864 27.069 35.613 1.00 0.00 C ATOM 195 O ILE A 12 33.187 27.642 36.654 1.00 0.00 O ATOM 196 CB ILE A 12 30.569 25.945 35.551 1.00 0.00 C ATOM 197 CG1 ILE A 12 29.083 26.244 35.259 1.00 0.00 C ATOM 198 CG2 ILE A 12 30.751 25.620 37.046 1.00 0.00 C ATOM 199 CD1 ILE A 12 28.244 24.976 35.093 1.00 0.00 C ATOM 0 H ILE A 12 31.138 26.353 33.185 1.00 0.00 H new ATOM 0 HA ILE A 12 31.003 28.059 35.531 1.00 0.00 H new ATOM 0 HB ILE A 12 30.905 25.071 34.994 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.671 26.843 36.072 1.00 0.00 H new ATOM 0 HG13 ILE A 12 29.009 26.844 34.352 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.130 24.764 37.311 1.00 0.00 H new ATOM 0 HG22 ILE A 12 31.797 25.384 37.242 1.00 0.00 H new ATOM 0 HG23 ILE A 12 30.455 26.482 37.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 27.209 25.249 34.890 1.00 0.00 H new ATOM 0 HD12 ILE A 12 28.634 24.388 34.262 1.00 0.00 H new ATOM 0 HD13 ILE A 12 28.291 24.386 36.009 1.00 0.00 H new ATOM 211 N MET A 13 33.762 26.426 34.864 1.00 0.00 N ATOM 212 CA MET A 13 35.167 26.241 35.260 1.00 0.00 C ATOM 213 C MET A 13 35.881 27.584 35.487 1.00 0.00 C ATOM 214 O MET A 13 36.577 27.775 36.484 1.00 0.00 O ATOM 215 CB MET A 13 35.919 25.411 34.202 1.00 0.00 C ATOM 216 CG MET A 13 35.279 24.053 33.888 1.00 0.00 C ATOM 217 SD MET A 13 35.127 22.936 35.304 1.00 0.00 S ATOM 218 CE MET A 13 34.336 21.520 34.498 1.00 0.00 C ATOM 0 H MET A 13 33.537 26.015 33.958 1.00 0.00 H new ATOM 0 HA MET A 13 35.170 25.702 36.207 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.982 25.991 33.281 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.940 25.247 34.546 1.00 0.00 H new ATOM 0 HG2 MET A 13 34.287 24.223 33.470 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.869 23.559 33.116 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.232 20.705 35.214 1.00 0.00 H new ATOM 0 HE2 MET A 13 33.351 21.812 34.135 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.949 21.190 33.659 1.00 0.00 H new ATOM 228 N LEU A 14 35.678 28.548 34.582 1.00 0.00 N ATOM 229 CA LEU A 14 36.264 29.885 34.687 1.00 0.00 C ATOM 230 C LEU A 14 35.505 30.817 35.647 1.00 0.00 C ATOM 231 O LEU A 14 36.084 31.798 36.107 1.00 0.00 O ATOM 232 CB LEU A 14 36.474 30.546 33.310 1.00 0.00 C ATOM 233 CG LEU A 14 36.259 29.716 32.030 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.828 29.878 31.534 1.00 0.00 C ATOM 235 CD2 LEU A 14 37.244 30.165 30.952 1.00 0.00 C ATOM 0 H LEU A 14 35.099 28.420 33.752 1.00 0.00 H new ATOM 0 HA LEU A 14 37.248 29.728 35.129 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.809 31.408 33.256 1.00 0.00 H new ATOM 0 HB3 LEU A 14 37.494 30.929 33.284 1.00 0.00 H new ATOM 0 HG LEU A 14 36.433 28.664 32.255 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.688 29.287 30.629 1.00 0.00 H new ATOM 0 HD12 LEU A 14 34.135 29.535 32.303 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.636 30.928 31.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 37.088 29.575 30.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 37.083 31.220 30.729 1.00 0.00 H new ATOM 0 HD23 LEU A 14 38.264 30.021 31.308 1.00 0.00 H new ATOM 247 N LYS A 15 34.245 30.511 35.995 1.00 0.00 N ATOM 248 CA LYS A 15 33.520 31.149 37.097 1.00 0.00 C ATOM 249 C LYS A 15 34.205 30.823 38.430 1.00 0.00 C ATOM 250 O LYS A 15 34.595 31.747 39.138 1.00 0.00 O ATOM 251 CB LYS A 15 32.028 30.733 37.030 1.00 0.00 C ATOM 252 CG LYS A 15 31.250 30.709 38.358 1.00 0.00 C ATOM 253 CD LYS A 15 31.084 32.091 38.997 1.00 0.00 C ATOM 254 CE LYS A 15 29.902 32.809 38.328 1.00 0.00 C ATOM 255 NZ LYS A 15 29.397 33.977 39.093 1.00 0.00 N1+ ATOM 0 H LYS A 15 33.696 29.802 35.509 1.00 0.00 H new ATOM 0 HA LYS A 15 33.545 32.235 37.009 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.516 31.414 36.350 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.973 29.739 36.587 1.00 0.00 H new ATOM 0 HG2 LYS A 15 30.264 30.278 38.184 1.00 0.00 H new ATOM 0 HG3 LYS A 15 31.766 30.053 39.060 1.00 0.00 H new ATOM 0 HD2 LYS A 15 30.908 31.992 40.068 1.00 0.00 H new ATOM 0 HD3 LYS A 15 31.997 32.674 38.876 1.00 0.00 H new ATOM 0 HE2 LYS A 15 30.206 33.141 37.335 1.00 0.00 H new ATOM 0 HE3 LYS A 15 29.088 32.097 38.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 28.448 34.232 38.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.348 33.735 40.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 30.041 34.783 38.961 1.00 0.00 H new ATOM 269 N GLU A 16 34.404 29.541 38.744 1.00 0.00 N ATOM 270 CA GLU A 16 34.974 29.116 40.035 1.00 0.00 C ATOM 271 C GLU A 16 36.458 29.483 40.187 1.00 0.00 C ATOM 272 O GLU A 16 36.894 29.861 41.273 1.00 0.00 O ATOM 273 CB GLU A 16 34.802 27.599 40.220 1.00 0.00 C ATOM 274 CG GLU A 16 33.346 27.148 40.415 1.00 0.00 C ATOM 275 CD GLU A 16 32.708 27.580 41.747 1.00 0.00 C ATOM 276 OE1 GLU A 16 33.350 28.273 42.571 1.00 0.00 O ATOM 277 OE2 GLU A 16 31.525 27.225 41.960 1.00 0.00 O ATOM 0 H GLU A 16 34.178 28.768 38.118 1.00 0.00 H new ATOM 0 HA GLU A 16 34.425 29.656 40.807 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.215 27.089 39.349 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.387 27.281 41.083 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.745 27.543 39.596 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.305 26.061 40.345 1.00 0.00 H new ATOM 284 N ASN A 17 37.247 29.428 39.107 1.00 0.00 N ATOM 285 CA ASN A 17 38.625 29.939 39.105 1.00 0.00 C ATOM 286 C ASN A 17 38.742 31.435 38.758 1.00 0.00 C ATOM 287 O ASN A 17 39.847 31.934 38.557 1.00 0.00 O ATOM 288 CB ASN A 17 39.528 29.059 38.232 1.00 0.00 C ATOM 289 CG ASN A 17 40.005 27.804 38.943 1.00 0.00 C ATOM 290 OD1 ASN A 17 39.310 27.185 39.735 1.00 0.00 O ATOM 291 ND2 ASN A 17 41.244 27.431 38.725 1.00 0.00 N ATOM 0 H ASN A 17 36.952 29.031 38.215 1.00 0.00 H new ATOM 0 HA ASN A 17 38.979 29.874 40.134 1.00 0.00 H new ATOM 0 HB2 ASN A 17 38.986 28.775 37.330 1.00 0.00 H new ATOM 0 HB3 ASN A 17 40.393 29.640 37.914 1.00 0.00 H new ATOM 0 HD21 ASN A 17 41.628 26.624 39.217 1.00 0.00 H new ATOM 0 HD22 ASN A 17 41.823 27.948 38.064 1.00 0.00 H new ATOM 298 N GLN A 18 37.635 32.183 38.710 1.00 0.00 N ATOM 299 CA GLN A 18 37.640 33.649 38.580 1.00 0.00 C ATOM 300 C GLN A 18 38.262 34.175 37.255 1.00 0.00 C ATOM 301 O GLN A 18 38.481 35.375 37.088 1.00 0.00 O ATOM 302 CB GLN A 18 38.234 34.295 39.861 1.00 0.00 C ATOM 303 CG GLN A 18 37.604 33.778 41.180 1.00 0.00 C ATOM 304 CD GLN A 18 38.245 34.366 42.438 1.00 0.00 C ATOM 305 OE1 GLN A 18 39.396 34.792 42.466 1.00 0.00 O ATOM 306 NE2 GLN A 18 37.516 34.427 43.529 1.00 0.00 N ATOM 0 H GLN A 18 36.697 31.785 38.761 1.00 0.00 H new ATOM 0 HA GLN A 18 36.602 33.971 38.498 1.00 0.00 H new ATOM 0 HB2 GLN A 18 39.307 34.107 39.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 38.100 35.375 39.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 36.540 34.013 41.181 1.00 0.00 H new ATOM 0 HG3 GLN A 18 37.690 32.692 41.212 1.00 0.00 H new ATOM 0 HE21 GLN A 18 36.558 34.077 43.522 1.00 0.00 H new ATOM 0 HE22 GLN A 18 37.908 34.824 44.383 1.00 0.00 H new ATOM 315 N CYS A 19 38.510 33.298 36.275 1.00 0.00 N ATOM 316 CA CYS A 19 38.978 33.597 34.915 1.00 0.00 C ATOM 317 C CYS A 19 37.837 34.063 33.994 1.00 0.00 C ATOM 318 O CYS A 19 37.620 33.517 32.915 1.00 0.00 O ATOM 319 CB CYS A 19 39.773 32.407 34.358 1.00 0.00 C ATOM 320 SG CYS A 19 41.355 32.282 35.231 1.00 0.00 S ATOM 0 H CYS A 19 38.381 32.297 36.419 1.00 0.00 H new ATOM 0 HA CYS A 19 39.660 34.446 34.960 1.00 0.00 H new ATOM 0 HB2 CYS A 19 39.204 31.486 34.480 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.944 32.537 33.289 1.00 0.00 H new ATOM 0 HG CYS A 19 42.075 31.343 34.692 1.00 0.00 H new ATOM 326 N THR A 20 37.088 35.073 34.438 1.00 0.00 N ATOM 327 CA THR A 20 35.824 35.505 33.822 1.00 0.00 C ATOM 328 C THR A 20 35.824 36.997 33.469 1.00 0.00 C ATOM 329 O THR A 20 35.022 37.775 33.977 1.00 0.00 O ATOM 330 CB THR A 20 34.625 35.027 34.666 1.00 0.00 C ATOM 331 OG1 THR A 20 33.434 35.527 34.124 1.00 0.00 O ATOM 332 CG2 THR A 20 34.656 35.441 36.139 1.00 0.00 C ATOM 0 H THR A 20 37.345 35.629 35.254 1.00 0.00 H new ATOM 0 HA THR A 20 35.716 35.018 32.853 1.00 0.00 H new ATOM 0 HB THR A 20 34.686 33.939 34.633 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.517 36.494 33.988 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.770 35.056 36.644 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.549 35.034 36.613 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.671 36.529 36.211 1.00 0.00 H new ATOM 340 N THR A 21 36.766 37.404 32.614 1.00 0.00 N ATOM 341 CA THR A 21 36.940 38.791 32.144 1.00 0.00 C ATOM 342 C THR A 21 37.896 38.853 30.953 1.00 0.00 C ATOM 343 O THR A 21 38.741 37.980 30.765 1.00 0.00 O ATOM 344 CB THR A 21 37.445 39.703 33.293 1.00 0.00 C ATOM 345 OG1 THR A 21 37.541 41.066 32.929 1.00 0.00 O ATOM 346 CG2 THR A 21 38.844 39.315 33.789 1.00 0.00 C ATOM 0 H THR A 21 37.451 36.763 32.215 1.00 0.00 H new ATOM 0 HA THR A 21 35.966 39.156 31.817 1.00 0.00 H new ATOM 0 HB THR A 21 36.693 39.561 34.069 1.00 0.00 H new ATOM 0 HG1 THR A 21 37.862 41.587 33.694 1.00 0.00 H new ATOM 0 HG21 THR A 21 39.145 39.987 34.592 1.00 0.00 H new ATOM 0 HG22 THR A 21 38.827 38.290 34.161 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.556 39.391 32.967 1.00 0.00 H new ATOM 354 N GLU A 22 37.807 39.946 30.200 1.00 0.00 N ATOM 355 CA GLU A 22 38.709 40.374 29.130 1.00 0.00 C ATOM 356 C GLU A 22 40.192 40.434 29.546 1.00 0.00 C ATOM 357 O GLU A 22 41.076 40.388 28.692 1.00 0.00 O ATOM 358 CB GLU A 22 38.281 41.766 28.613 1.00 0.00 C ATOM 359 CG GLU A 22 36.929 41.856 27.876 1.00 0.00 C ATOM 360 CD GLU A 22 36.578 43.303 27.474 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.262 44.263 27.915 1.00 0.00 O ATOM 362 OE2 GLU A 22 35.610 43.480 26.700 1.00 0.00 O ATOM 0 H GLU A 22 37.043 40.609 30.331 1.00 0.00 H new ATOM 0 HA GLU A 22 38.629 39.617 28.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 38.249 42.448 29.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.058 42.131 27.941 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.962 41.231 26.984 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.142 41.458 28.516 1.00 0.00 H new ATOM 369 N LEU A 23 40.463 40.548 30.852 1.00 0.00 N ATOM 370 CA LEU A 23 41.805 40.595 31.442 1.00 0.00 C ATOM 371 C LEU A 23 42.421 39.205 31.717 1.00 0.00 C ATOM 372 O LEU A 23 43.574 39.127 32.152 1.00 0.00 O ATOM 373 CB LEU A 23 41.748 41.439 32.733 1.00 0.00 C ATOM 374 CG LEU A 23 41.144 42.852 32.583 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.134 43.551 33.942 1.00 0.00 C ATOM 376 CD2 LEU A 23 41.926 43.731 31.603 1.00 0.00 C ATOM 0 H LEU A 23 39.725 40.612 31.553 1.00 0.00 H new ATOM 0 HA LEU A 23 42.467 41.056 30.709 1.00 0.00 H new ATOM 0 HB2 LEU A 23 41.168 40.893 33.477 1.00 0.00 H new ATOM 0 HB3 LEU A 23 42.760 41.536 33.127 1.00 0.00 H new ATOM 0 HG LEU A 23 40.135 42.721 32.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 40.707 44.548 33.835 1.00 0.00 H new ATOM 0 HD12 LEU A 23 40.533 42.973 34.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 42.154 43.631 34.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 41.455 44.712 31.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 42.952 43.843 31.954 1.00 0.00 H new ATOM 0 HD23 LEU A 23 41.929 43.264 30.618 1.00 0.00 H new ATOM 388 N LYS A 24 41.677 38.107 31.503 1.00 0.00 N ATOM 389 CA LYS A 24 42.107 36.727 31.803 1.00 0.00 C ATOM 390 C LYS A 24 41.769 35.777 30.651 1.00 0.00 C ATOM 391 O LYS A 24 40.599 35.492 30.397 1.00 0.00 O ATOM 392 CB LYS A 24 41.464 36.244 33.116 1.00 0.00 C ATOM 393 CG LYS A 24 42.009 36.968 34.359 1.00 0.00 C ATOM 394 CD LYS A 24 41.375 36.396 35.632 1.00 0.00 C ATOM 395 CE LYS A 24 41.963 37.042 36.884 1.00 0.00 C ATOM 396 NZ LYS A 24 41.362 36.474 38.113 1.00 0.00 N1+ ATOM 0 H LYS A 24 40.738 38.153 31.108 1.00 0.00 H new ATOM 0 HA LYS A 24 43.190 36.726 31.923 1.00 0.00 H new ATOM 0 HB2 LYS A 24 40.385 36.392 33.061 1.00 0.00 H new ATOM 0 HB3 LYS A 24 41.634 35.173 33.224 1.00 0.00 H new ATOM 0 HG2 LYS A 24 43.093 36.860 34.405 1.00 0.00 H new ATOM 0 HG3 LYS A 24 41.798 38.035 34.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 40.297 36.558 35.609 1.00 0.00 H new ATOM 0 HD3 LYS A 24 41.534 35.318 35.667 1.00 0.00 H new ATOM 0 HE2 LYS A 24 43.042 36.892 36.901 1.00 0.00 H new ATOM 0 HE3 LYS A 24 41.791 38.118 36.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 41.278 37.218 38.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.418 36.095 37.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 41.967 35.709 38.474 1.00 0.00 H new ATOM 410 N SER A 25 42.803 35.246 30.001 1.00 0.00 N ATOM 411 CA SER A 25 42.680 34.355 28.838 1.00 0.00 C ATOM 412 C SER A 25 43.277 32.974 29.126 1.00 0.00 C ATOM 413 O SER A 25 44.242 32.858 29.881 1.00 0.00 O ATOM 414 CB SER A 25 43.346 34.959 27.590 1.00 0.00 C ATOM 415 OG SER A 25 42.869 36.260 27.294 1.00 0.00 O ATOM 0 H SER A 25 43.771 35.424 30.270 1.00 0.00 H new ATOM 0 HA SER A 25 41.614 34.241 28.641 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.425 34.997 27.741 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.166 34.307 26.735 1.00 0.00 H new ATOM 0 HG SER A 25 43.323 36.601 26.495 1.00 0.00 H new ATOM 421 N PHE A 26 42.694 31.950 28.499 1.00 0.00 N ATOM 422 CA PHE A 26 43.138 30.568 28.655 1.00 0.00 C ATOM 423 C PHE A 26 43.231 29.855 27.302 1.00 0.00 C ATOM 424 O PHE A 26 42.586 30.253 26.332 1.00 0.00 O ATOM 425 CB PHE A 26 42.192 29.807 29.585 1.00 0.00 C ATOM 426 CG PHE A 26 42.604 29.841 31.029 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.745 29.394 32.018 1.00 0.00 C ATOM 428 CD2 PHE A 26 43.852 30.317 31.396 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.120 29.423 33.348 1.00 0.00 C ATOM 430 CE2 PHE A 26 44.234 30.348 32.724 1.00 0.00 C ATOM 431 CZ PHE A 26 43.367 29.901 33.701 1.00 0.00 C ATOM 0 H PHE A 26 41.900 32.059 27.868 1.00 0.00 H new ATOM 0 HA PHE A 26 44.134 30.587 29.096 1.00 0.00 H new ATOM 0 HB2 PHE A 26 41.191 30.227 29.493 1.00 0.00 H new ATOM 0 HB3 PHE A 26 42.133 28.769 29.258 1.00 0.00 H new ATOM 0 HD1 PHE A 26 40.770 29.018 31.747 1.00 0.00 H new ATOM 0 HD2 PHE A 26 44.534 30.668 30.636 1.00 0.00 H new ATOM 0 HE1 PHE A 26 41.439 29.073 34.110 1.00 0.00 H new ATOM 0 HE2 PHE A 26 45.210 30.722 32.997 1.00 0.00 H new ATOM 0 HZ PHE A 26 43.663 29.925 34.739 1.00 0.00 H new ATOM 441 N THR A 27 44.049 28.804 27.244 1.00 0.00 N ATOM 442 CA THR A 27 44.261 28.014 26.032 1.00 0.00 C ATOM 443 C THR A 27 43.604 26.644 26.183 1.00 0.00 C ATOM 444 O THR A 27 43.270 26.239 27.296 1.00 0.00 O ATOM 445 CB THR A 27 45.760 27.820 25.741 1.00 0.00 C ATOM 446 OG1 THR A 27 46.373 27.106 26.823 1.00 0.00 O ATOM 447 CG2 THR A 27 46.450 29.165 25.568 1.00 0.00 C ATOM 0 H THR A 27 44.588 28.474 28.045 1.00 0.00 H new ATOM 0 HA THR A 27 43.812 28.558 25.201 1.00 0.00 H new ATOM 0 HB THR A 27 45.863 27.250 24.818 1.00 0.00 H new ATOM 0 HG1 THR A 27 47.327 26.982 26.635 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.509 29.007 25.363 1.00 0.00 H new ATOM 0 HG22 THR A 27 45.996 29.703 24.736 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.341 29.750 26.481 1.00 0.00 H new ATOM 455 N TYR A 28 43.416 25.926 25.077 1.00 0.00 N ATOM 456 CA TYR A 28 42.771 24.608 25.182 1.00 0.00 C ATOM 457 C TYR A 28 43.523 23.657 26.128 1.00 0.00 C ATOM 458 O TYR A 28 42.878 22.889 26.835 1.00 0.00 O ATOM 459 CB TYR A 28 42.604 23.975 23.791 1.00 0.00 C ATOM 460 CG TYR A 28 41.718 24.713 22.795 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.659 25.546 23.217 1.00 0.00 C ATOM 462 CD2 TYR A 28 41.923 24.502 21.415 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.831 26.182 22.274 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.091 25.132 20.469 1.00 0.00 C ATOM 465 CZ TYR A 28 40.053 25.984 20.895 1.00 0.00 C ATOM 466 OH TYR A 28 39.257 26.591 19.978 1.00 0.00 O ATOM 0 H TYR A 28 43.685 26.212 24.136 1.00 0.00 H new ATOM 0 HA TYR A 28 41.785 24.770 25.617 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.594 23.866 23.348 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.202 22.971 23.922 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.483 25.696 24.272 1.00 0.00 H new ATOM 0 HD2 TYR A 28 42.721 23.855 21.083 1.00 0.00 H new ATOM 0 HE1 TYR A 28 39.026 26.821 22.606 1.00 0.00 H new ATOM 0 HE2 TYR A 28 41.249 24.961 19.414 1.00 0.00 H new ATOM 0 HH TYR A 28 39.504 27.537 19.905 1.00 0.00 H new ATOM 476 N THR A 29 44.854 23.749 26.220 1.00 0.00 N ATOM 477 CA THR A 29 45.675 22.964 27.159 1.00 0.00 C ATOM 478 C THR A 29 45.362 23.322 28.616 1.00 0.00 C ATOM 479 O THR A 29 45.089 22.442 29.433 1.00 0.00 O ATOM 480 CB THR A 29 47.171 23.178 26.863 1.00 0.00 C ATOM 481 OG1 THR A 29 47.398 22.982 25.487 1.00 0.00 O ATOM 482 CG2 THR A 29 48.068 22.201 27.617 1.00 0.00 C ATOM 0 H THR A 29 45.403 24.380 25.636 1.00 0.00 H new ATOM 0 HA THR A 29 45.431 21.911 27.018 1.00 0.00 H new ATOM 0 HB THR A 29 47.416 24.191 27.183 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.348 23.118 25.290 1.00 0.00 H new ATOM 0 HG21 THR A 29 49.111 22.399 27.369 1.00 0.00 H new ATOM 0 HG22 THR A 29 47.920 22.325 28.690 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.815 21.180 27.331 1.00 0.00 H new ATOM 490 N LYS A 30 45.304 24.619 28.945 1.00 0.00 N ATOM 491 CA LYS A 30 44.969 25.094 30.296 1.00 0.00 C ATOM 492 C LYS A 30 43.512 24.801 30.671 1.00 0.00 C ATOM 493 O LYS A 30 43.251 24.369 31.792 1.00 0.00 O ATOM 494 CB LYS A 30 45.313 26.589 30.400 1.00 0.00 C ATOM 495 CG LYS A 30 45.183 27.174 31.816 1.00 0.00 C ATOM 496 CD LYS A 30 46.017 26.424 32.865 1.00 0.00 C ATOM 497 CE LYS A 30 46.102 27.234 34.162 1.00 0.00 C ATOM 498 NZ LYS A 30 46.972 26.572 35.161 1.00 0.00 N1+ ATOM 0 H LYS A 30 45.488 25.371 28.281 1.00 0.00 H new ATOM 0 HA LYS A 30 45.567 24.545 31.023 1.00 0.00 H new ATOM 0 HB2 LYS A 30 46.334 26.739 30.050 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.661 27.147 29.728 1.00 0.00 H new ATOM 0 HG2 LYS A 30 45.490 28.220 31.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 44.135 27.154 32.114 1.00 0.00 H new ATOM 0 HD2 LYS A 30 45.569 25.451 33.066 1.00 0.00 H new ATOM 0 HD3 LYS A 30 47.019 26.240 32.478 1.00 0.00 H new ATOM 0 HE2 LYS A 30 46.488 28.230 33.945 1.00 0.00 H new ATOM 0 HE3 LYS A 30 45.103 27.363 34.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 47.007 27.147 36.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 46.589 25.631 35.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 47.932 26.472 34.773 1.00 0.00 H new ATOM 512 N LEU A 31 42.578 24.959 29.728 1.00 0.00 N ATOM 513 CA LEU A 31 41.181 24.544 29.902 1.00 0.00 C ATOM 514 C LEU A 31 41.050 23.022 30.092 1.00 0.00 C ATOM 515 O LEU A 31 40.230 22.575 30.889 1.00 0.00 O ATOM 516 CB LEU A 31 40.335 24.993 28.698 1.00 0.00 C ATOM 517 CG LEU A 31 40.089 26.510 28.600 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.639 26.896 27.190 1.00 0.00 C ATOM 519 CD2 LEU A 31 39.002 26.964 29.575 1.00 0.00 C ATOM 0 H LEU A 31 42.770 25.380 28.819 1.00 0.00 H new ATOM 0 HA LEU A 31 40.812 25.026 30.807 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.827 24.661 27.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 39.371 24.487 28.743 1.00 0.00 H new ATOM 0 HG LEU A 31 41.033 26.997 28.846 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.471 27.972 27.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.411 26.618 26.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.714 26.373 26.948 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.854 28.040 29.480 1.00 0.00 H new ATOM 0 HD22 LEU A 31 38.070 26.448 29.347 1.00 0.00 H new ATOM 0 HD23 LEU A 31 39.307 26.729 30.595 1.00 0.00 H new ATOM 531 N CYS A 32 41.867 22.218 29.407 1.00 0.00 N ATOM 532 CA CYS A 32 41.890 20.766 29.569 1.00 0.00 C ATOM 533 C CYS A 32 42.266 20.361 31.006 1.00 0.00 C ATOM 534 O CYS A 32 41.532 19.591 31.627 1.00 0.00 O ATOM 535 CB CYS A 32 42.828 20.169 28.513 1.00 0.00 C ATOM 536 SG CYS A 32 42.877 18.375 28.717 1.00 0.00 S ATOM 0 H CYS A 32 42.536 22.562 28.719 1.00 0.00 H new ATOM 0 HA CYS A 32 40.891 20.360 29.410 1.00 0.00 H new ATOM 0 HB2 CYS A 32 42.480 20.425 27.512 1.00 0.00 H new ATOM 0 HB3 CYS A 32 43.829 20.587 28.619 1.00 0.00 H new ATOM 0 HG CYS A 32 41.747 17.863 28.328 1.00 0.00 H new ATOM 542 N ASN A 33 43.331 20.944 31.577 1.00 0.00 N ATOM 543 CA ASN A 33 43.770 20.667 32.949 1.00 0.00 C ATOM 544 C ASN A 33 42.661 20.868 33.999 1.00 0.00 C ATOM 545 O ASN A 33 42.582 20.108 34.962 1.00 0.00 O ATOM 546 CB ASN A 33 44.941 21.601 33.301 1.00 0.00 C ATOM 547 CG ASN A 33 46.248 21.350 32.578 1.00 0.00 C ATOM 548 OD1 ASN A 33 46.380 20.506 31.700 1.00 0.00 O ATOM 549 ND2 ASN A 33 47.272 22.073 32.964 1.00 0.00 N ATOM 0 H ASN A 33 43.915 21.626 31.094 1.00 0.00 H new ATOM 0 HA ASN A 33 44.063 19.617 32.977 1.00 0.00 H new ATOM 0 HB2 ASN A 33 44.631 22.627 33.100 1.00 0.00 H new ATOM 0 HB3 ASN A 33 45.125 21.528 34.373 1.00 0.00 H new ATOM 0 HD21 ASN A 33 48.186 21.934 32.532 1.00 0.00 H new ATOM 0 HD22 ASN A 33 47.155 22.774 33.696 1.00 0.00 H new ATOM 556 N ILE A 34 41.829 21.903 33.835 1.00 0.00 N ATOM 557 CA ILE A 34 40.758 22.263 34.783 1.00 0.00 C ATOM 558 C ILE A 34 39.396 21.635 34.436 1.00 0.00 C ATOM 559 O ILE A 34 38.497 21.659 35.269 1.00 0.00 O ATOM 560 CB ILE A 34 40.675 23.800 34.943 1.00 0.00 C ATOM 561 CG1 ILE A 34 40.129 24.473 33.668 1.00 0.00 C ATOM 562 CG2 ILE A 34 42.049 24.373 35.349 1.00 0.00 C ATOM 563 CD1 ILE A 34 40.158 26.001 33.703 1.00 0.00 C ATOM 0 H ILE A 34 41.878 22.526 33.029 1.00 0.00 H new ATOM 0 HA ILE A 34 41.026 21.833 35.748 1.00 0.00 H new ATOM 0 HB ILE A 34 39.968 24.022 35.743 1.00 0.00 H new ATOM 0 HG12 ILE A 34 40.710 24.130 32.812 1.00 0.00 H new ATOM 0 HG13 ILE A 34 39.102 24.144 33.509 1.00 0.00 H new ATOM 0 HG21 ILE A 34 41.974 25.455 35.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 42.361 23.934 36.297 1.00 0.00 H new ATOM 0 HG23 ILE A 34 42.784 24.135 34.580 1.00 0.00 H new ATOM 0 HD11 ILE A 34 39.757 26.394 32.769 1.00 0.00 H new ATOM 0 HD12 ILE A 34 39.552 26.357 34.536 1.00 0.00 H new ATOM 0 HD13 ILE A 34 41.185 26.343 33.829 1.00 0.00 H new ATOM 575 N SER A 35 39.232 21.075 33.230 1.00 0.00 N ATOM 576 CA SER A 35 37.961 20.496 32.753 1.00 0.00 C ATOM 577 C SER A 35 37.966 18.973 32.525 1.00 0.00 C ATOM 578 O SER A 35 36.893 18.405 32.314 1.00 0.00 O ATOM 579 CB SER A 35 37.490 21.229 31.492 1.00 0.00 C ATOM 580 OG SER A 35 36.149 20.886 31.204 1.00 0.00 O ATOM 0 H SER A 35 39.986 21.009 32.546 1.00 0.00 H new ATOM 0 HA SER A 35 37.257 20.646 33.571 1.00 0.00 H new ATOM 0 HB2 SER A 35 37.576 22.306 31.635 1.00 0.00 H new ATOM 0 HB3 SER A 35 38.130 20.967 30.649 1.00 0.00 H new ATOM 0 HG SER A 35 35.990 19.951 31.451 1.00 0.00 H new ATOM 586 N LYS A 36 39.128 18.303 32.576 1.00 0.00 N ATOM 587 CA LYS A 36 39.282 16.832 32.673 1.00 0.00 C ATOM 588 C LYS A 36 38.661 15.996 31.527 1.00 0.00 C ATOM 589 O LYS A 36 38.059 14.946 31.756 1.00 0.00 O ATOM 590 CB LYS A 36 38.840 16.377 34.085 1.00 0.00 C ATOM 591 CG LYS A 36 39.381 14.974 34.418 1.00 0.00 C ATOM 592 CD LYS A 36 38.943 14.491 35.811 1.00 0.00 C ATOM 593 CE LYS A 36 37.417 14.371 35.913 1.00 0.00 C ATOM 594 NZ LYS A 36 36.989 13.891 37.250 1.00 0.00 N1+ ATOM 0 H LYS A 36 40.026 18.786 32.550 1.00 0.00 H new ATOM 0 HA LYS A 36 40.341 16.619 32.530 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.196 17.092 34.827 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.752 16.372 34.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.034 14.266 33.665 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.470 14.986 34.366 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.399 13.524 36.022 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.305 15.186 36.568 1.00 0.00 H new ATOM 0 HE2 LYS A 36 36.962 15.341 35.713 1.00 0.00 H new ATOM 0 HE3 LYS A 36 37.055 13.685 35.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 35.952 13.823 37.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 37.402 12.954 37.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 37.313 14.559 37.979 1.00 0.00 H new ATOM 608 N LEU A 37 38.803 16.457 30.283 1.00 0.00 N ATOM 609 CA LEU A 37 38.146 15.884 29.105 1.00 0.00 C ATOM 610 C LEU A 37 39.046 15.855 27.855 1.00 0.00 C ATOM 611 O LEU A 37 40.120 16.459 27.832 1.00 0.00 O ATOM 612 CB LEU A 37 36.813 16.629 28.895 1.00 0.00 C ATOM 613 CG LEU A 37 36.838 18.152 28.634 1.00 0.00 C ATOM 614 CD1 LEU A 37 37.170 18.557 27.202 1.00 0.00 C ATOM 615 CD2 LEU A 37 35.464 18.732 28.972 1.00 0.00 C ATOM 0 H LEU A 37 39.393 17.259 30.060 1.00 0.00 H new ATOM 0 HA LEU A 37 37.939 14.829 29.282 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.303 16.160 28.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.197 16.457 29.778 1.00 0.00 H new ATOM 0 HG LEU A 37 37.637 18.543 29.264 1.00 0.00 H new ATOM 0 HD11 LEU A 37 37.163 19.644 27.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 38.158 18.180 26.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.427 18.137 26.524 1.00 0.00 H new ATOM 0 HD21 LEU A 37 35.469 19.807 28.792 1.00 0.00 H new ATOM 0 HD22 LEU A 37 34.706 18.262 28.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.236 18.541 30.021 1.00 0.00 H new ATOM 627 N SER A 38 38.606 15.161 26.799 1.00 0.00 N ATOM 628 CA SER A 38 39.255 15.213 25.480 1.00 0.00 C ATOM 629 C SER A 38 39.232 16.601 24.835 1.00 0.00 C ATOM 630 O SER A 38 38.158 17.146 24.581 1.00 0.00 O ATOM 631 CB SER A 38 38.530 14.313 24.478 1.00 0.00 C ATOM 632 OG SER A 38 38.685 12.949 24.797 1.00 0.00 O ATOM 0 H SER A 38 37.791 14.548 26.833 1.00 0.00 H new ATOM 0 HA SER A 38 40.280 14.901 25.678 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.470 14.565 24.463 1.00 0.00 H new ATOM 0 HB3 SER A 38 38.916 14.499 23.476 1.00 0.00 H new ATOM 0 HG SER A 38 38.208 12.403 24.138 1.00 0.00 H new ATOM 638 N MET A 39 40.396 17.154 24.473 1.00 0.00 N ATOM 639 CA MET A 39 40.483 18.526 23.938 1.00 0.00 C ATOM 640 C MET A 39 39.552 18.875 22.756 1.00 0.00 C ATOM 641 O MET A 39 39.227 20.048 22.580 1.00 0.00 O ATOM 642 CB MET A 39 41.949 18.891 23.653 1.00 0.00 C ATOM 643 CG MET A 39 42.601 18.107 22.507 1.00 0.00 C ATOM 644 SD MET A 39 44.301 18.645 22.176 1.00 0.00 S ATOM 645 CE MET A 39 44.796 17.387 20.966 1.00 0.00 C ATOM 0 H MET A 39 41.294 16.675 24.539 1.00 0.00 H new ATOM 0 HA MET A 39 40.088 19.158 24.734 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.005 19.955 23.423 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.531 18.730 24.561 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.601 17.045 22.752 1.00 0.00 H new ATOM 0 HG3 MET A 39 42.003 18.226 21.603 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.824 17.568 20.652 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.724 16.398 21.419 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.138 17.438 20.099 1.00 0.00 H new ATOM 655 N SER A 40 39.037 17.889 22.005 1.00 0.00 N ATOM 656 CA SER A 40 37.959 18.111 21.021 1.00 0.00 C ATOM 657 C SER A 40 36.708 18.750 21.657 1.00 0.00 C ATOM 658 O SER A 40 36.167 19.734 21.150 1.00 0.00 O ATOM 659 CB SER A 40 37.599 16.804 20.301 1.00 0.00 C ATOM 660 OG SER A 40 36.581 17.071 19.361 1.00 0.00 O ATOM 0 H SER A 40 39.352 16.920 22.060 1.00 0.00 H new ATOM 0 HA SER A 40 38.340 18.820 20.285 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.477 16.394 19.801 1.00 0.00 H new ATOM 0 HB3 SER A 40 37.263 16.057 21.020 1.00 0.00 H new ATOM 0 HG SER A 40 36.343 16.244 18.893 1.00 0.00 H new ATOM 666 N THR A 41 36.302 18.284 22.843 1.00 0.00 N ATOM 667 CA THR A 41 35.086 18.733 23.539 1.00 0.00 C ATOM 668 C THR A 41 35.148 20.216 23.945 1.00 0.00 C ATOM 669 O THR A 41 34.132 20.920 23.912 1.00 0.00 O ATOM 670 CB THR A 41 34.815 17.804 24.743 1.00 0.00 C ATOM 671 OG1 THR A 41 34.531 16.510 24.253 1.00 0.00 O ATOM 672 CG2 THR A 41 33.621 18.243 25.583 1.00 0.00 C ATOM 0 H THR A 41 36.818 17.570 23.358 1.00 0.00 H new ATOM 0 HA THR A 41 34.247 18.664 22.847 1.00 0.00 H new ATOM 0 HB THR A 41 35.703 17.833 25.375 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.358 15.906 25.005 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.485 17.549 26.412 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.800 19.245 25.974 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.724 18.250 24.964 1.00 0.00 H new ATOM 680 N VAL A 42 36.342 20.741 24.258 1.00 0.00 N ATOM 681 CA VAL A 42 36.511 22.165 24.609 1.00 0.00 C ATOM 682 C VAL A 42 36.597 23.091 23.391 1.00 0.00 C ATOM 683 O VAL A 42 36.033 24.183 23.421 1.00 0.00 O ATOM 684 CB VAL A 42 37.652 22.378 25.616 1.00 0.00 C ATOM 685 CG1 VAL A 42 39.054 21.990 25.134 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.692 23.847 26.042 1.00 0.00 C ATOM 0 H VAL A 42 37.208 20.202 24.276 1.00 0.00 H new ATOM 0 HA VAL A 42 35.593 22.463 25.115 1.00 0.00 H new ATOM 0 HB VAL A 42 37.416 21.702 26.438 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.777 22.183 25.926 1.00 0.00 H new ATOM 0 HG12 VAL A 42 39.070 20.931 24.878 1.00 0.00 H new ATOM 0 HG13 VAL A 42 39.313 22.580 24.255 1.00 0.00 H new ATOM 0 HG21 VAL A 42 38.502 23.997 26.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.859 24.475 25.167 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.744 24.117 26.507 1.00 0.00 H new ATOM 696 N ARG A 43 37.225 22.659 22.287 1.00 0.00 N ATOM 697 CA ARG A 43 37.215 23.435 21.026 1.00 0.00 C ATOM 698 C ARG A 43 35.826 23.482 20.372 1.00 0.00 C ATOM 699 O ARG A 43 35.440 24.538 19.873 1.00 0.00 O ATOM 700 CB ARG A 43 38.330 22.984 20.063 1.00 0.00 C ATOM 701 CG ARG A 43 38.218 21.529 19.597 1.00 0.00 C ATOM 702 CD ARG A 43 39.376 21.070 18.708 1.00 0.00 C ATOM 703 NE ARG A 43 39.321 21.707 17.386 1.00 0.00 N ATOM 704 CZ ARG A 43 40.336 21.975 16.593 1.00 0.00 C ATOM 705 NH1 ARG A 43 41.547 21.672 16.952 1.00 0.00 N ATOM 706 NH2 ARG A 43 40.136 22.535 15.443 1.00 0.00 N ATOM 0 H ARG A 43 37.745 21.783 22.236 1.00 0.00 H new ATOM 0 HA ARG A 43 37.444 24.468 21.288 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.322 23.634 19.188 1.00 0.00 H new ATOM 0 HB3 ARG A 43 39.294 23.122 20.553 1.00 0.00 H new ATOM 0 HG2 ARG A 43 38.166 20.881 20.472 1.00 0.00 H new ATOM 0 HG3 ARG A 43 37.283 21.404 19.051 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.324 21.310 19.190 1.00 0.00 H new ATOM 0 HD3 ARG A 43 39.342 19.987 18.593 1.00 0.00 H new ATOM 0 HE ARG A 43 38.396 21.970 17.046 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.715 21.224 17.853 1.00 0.00 H new ATOM 0 HH12 ARG A 43 42.330 21.882 16.333 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.188 22.770 15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 43 40.926 22.741 14.832 1.00 0.00 H new ATOM 720 N ARG A 44 35.029 22.405 20.469 1.00 0.00 N ATOM 721 CA ARG A 44 33.615 22.344 20.076 1.00 0.00 C ATOM 722 C ARG A 44 32.810 23.459 20.749 1.00 0.00 C ATOM 723 O ARG A 44 32.078 24.189 20.083 1.00 0.00 O ATOM 724 CB ARG A 44 33.104 20.914 20.389 1.00 0.00 C ATOM 725 CG ARG A 44 31.688 20.852 20.969 1.00 0.00 C ATOM 726 CD ARG A 44 31.138 19.432 21.110 1.00 0.00 C ATOM 727 NE ARG A 44 30.780 18.853 19.809 1.00 0.00 N ATOM 728 CZ ARG A 44 30.186 17.698 19.587 1.00 0.00 C ATOM 729 NH1 ARG A 44 29.855 16.930 20.582 1.00 0.00 N ATOM 730 NH2 ARG A 44 29.924 17.320 18.376 1.00 0.00 N ATOM 0 H ARG A 44 35.368 21.517 20.839 1.00 0.00 H new ATOM 0 HA ARG A 44 33.489 22.523 19.008 1.00 0.00 H new ATOM 0 HB2 ARG A 44 33.133 20.324 19.473 1.00 0.00 H new ATOM 0 HB3 ARG A 44 33.791 20.444 21.093 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.686 21.331 21.948 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.019 21.429 20.330 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.882 18.801 21.596 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.260 19.445 21.756 1.00 0.00 H new ATOM 0 HE ARG A 44 31.018 19.406 18.986 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.055 17.221 21.539 1.00 0.00 H new ATOM 0 HH12 ARG A 44 29.395 16.037 20.406 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.178 17.917 17.589 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.464 16.425 18.209 1.00 0.00 H new ATOM 744 N SER A 45 32.951 23.582 22.067 1.00 0.00 N ATOM 745 CA SER A 45 32.154 24.489 22.897 1.00 0.00 C ATOM 746 C SER A 45 32.646 25.935 22.807 1.00 0.00 C ATOM 747 O SER A 45 31.848 26.800 22.460 1.00 0.00 O ATOM 748 CB SER A 45 32.097 23.967 24.334 1.00 0.00 C ATOM 749 OG SER A 45 33.374 23.567 24.790 1.00 0.00 O ATOM 0 H SER A 45 33.635 23.045 22.600 1.00 0.00 H new ATOM 0 HA SER A 45 31.135 24.508 22.511 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.702 24.744 24.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.409 23.123 24.389 1.00 0.00 H new ATOM 0 HG SER A 45 33.531 22.632 24.543 1.00 0.00 H new ATOM 755 N ILE A 46 33.947 26.208 22.980 1.00 0.00 N ATOM 756 CA ILE A 46 34.522 27.562 22.777 1.00 0.00 C ATOM 757 C ILE A 46 34.145 28.164 21.413 1.00 0.00 C ATOM 758 O ILE A 46 33.792 29.340 21.365 1.00 0.00 O ATOM 759 CB ILE A 46 36.061 27.567 22.998 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.426 27.131 24.438 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.745 28.912 22.673 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.851 27.972 25.582 1.00 0.00 C ATOM 0 H ILE A 46 34.633 25.508 23.262 1.00 0.00 H new ATOM 0 HA ILE A 46 34.076 28.206 23.535 1.00 0.00 H new ATOM 0 HB ILE A 46 36.446 26.840 22.283 1.00 0.00 H new ATOM 0 HG12 ILE A 46 36.096 26.101 24.575 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.512 27.133 24.528 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.817 28.828 22.854 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.573 29.164 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.329 29.694 23.308 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.181 27.562 26.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.200 29.000 25.489 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.762 27.953 25.536 1.00 0.00 H new ATOM 774 N LYS A 47 34.158 27.387 20.317 1.00 0.00 N ATOM 775 CA LYS A 47 33.824 27.904 18.977 1.00 0.00 C ATOM 776 C LYS A 47 32.371 28.376 18.901 1.00 0.00 C ATOM 777 O LYS A 47 32.105 29.490 18.466 1.00 0.00 O ATOM 778 CB LYS A 47 34.154 26.835 17.928 1.00 0.00 C ATOM 779 CG LYS A 47 33.875 27.302 16.487 1.00 0.00 C ATOM 780 CD LYS A 47 34.594 26.417 15.457 1.00 0.00 C ATOM 781 CE LYS A 47 34.154 24.948 15.507 1.00 0.00 C ATOM 782 NZ LYS A 47 33.007 24.670 14.612 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.397 26.395 20.332 1.00 0.00 H new ATOM 0 HA LYS A 47 34.430 28.786 18.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.204 26.558 18.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.569 25.939 18.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 32.802 27.282 16.299 1.00 0.00 H new ATOM 0 HG3 LYS A 47 34.200 28.336 16.369 1.00 0.00 H new ATOM 0 HD2 LYS A 47 34.409 26.811 14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.669 26.473 15.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.993 24.311 15.226 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.884 24.687 16.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.748 23.665 14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.196 25.257 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.270 24.892 13.631 1.00 0.00 H new ATOM 796 N LYS A 48 31.441 27.570 19.418 1.00 0.00 N ATOM 797 CA LYS A 48 30.026 27.940 19.570 1.00 0.00 C ATOM 798 C LYS A 48 29.813 29.078 20.581 1.00 0.00 C ATOM 799 O LYS A 48 28.921 29.900 20.397 1.00 0.00 O ATOM 800 CB LYS A 48 29.239 26.653 19.890 1.00 0.00 C ATOM 801 CG LYS A 48 28.700 26.054 18.575 1.00 0.00 C ATOM 802 CD LYS A 48 28.233 24.591 18.662 1.00 0.00 C ATOM 803 CE LYS A 48 29.384 23.621 18.358 1.00 0.00 C ATOM 804 NZ LYS A 48 28.906 22.230 18.167 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.649 26.628 19.749 1.00 0.00 H new ATOM 0 HA LYS A 48 29.644 28.362 18.641 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.883 25.933 20.395 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.415 26.874 20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.865 26.665 18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.479 26.125 17.816 1.00 0.00 H new ATOM 0 HD2 LYS A 48 27.839 24.391 19.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.418 24.424 17.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 29.908 23.950 17.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.105 23.647 19.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.716 21.609 17.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.429 21.905 19.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.238 22.199 17.371 1.00 0.00 H new ATOM 818 N PHE A 49 30.647 29.254 21.604 1.00 0.00 N ATOM 819 CA PHE A 49 30.593 30.396 22.526 1.00 0.00 C ATOM 820 C PHE A 49 31.067 31.731 21.931 1.00 0.00 C ATOM 821 O PHE A 49 30.686 32.775 22.468 1.00 0.00 O ATOM 822 CB PHE A 49 31.353 30.093 23.821 1.00 0.00 C ATOM 823 CG PHE A 49 30.931 28.872 24.610 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.615 28.379 24.542 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.867 28.243 25.458 1.00 0.00 C ATOM 826 CE1 PHE A 49 29.237 27.266 25.306 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.498 27.110 26.198 1.00 0.00 C ATOM 828 CZ PHE A 49 30.184 26.622 26.112 1.00 0.00 C ATOM 0 H PHE A 49 31.395 28.596 21.823 1.00 0.00 H new ATOM 0 HA PHE A 49 29.533 30.530 22.740 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.409 29.985 23.574 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.265 30.962 24.473 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.893 28.860 23.899 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.870 28.635 25.538 1.00 0.00 H new ATOM 0 HE1 PHE A 49 28.219 26.907 25.273 1.00 0.00 H new ATOM 0 HE2 PHE A 49 32.220 26.616 26.830 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.901 25.743 26.672 1.00 0.00 H new ATOM 838 N LEU A 50 31.845 31.705 20.820 1.00 0.00 N ATOM 839 CA LEU A 50 32.062 32.915 20.011 1.00 0.00 C ATOM 840 C LEU A 50 30.723 33.421 19.459 1.00 0.00 C ATOM 841 O LEU A 50 30.441 34.617 19.491 1.00 0.00 O ATOM 842 CB LEU A 50 33.023 32.648 18.842 1.00 0.00 C ATOM 843 CG LEU A 50 34.440 32.205 19.241 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.206 31.814 17.986 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.234 33.318 19.926 1.00 0.00 C ATOM 0 H LEU A 50 32.322 30.872 20.474 1.00 0.00 H new ATOM 0 HA LEU A 50 32.509 33.670 20.658 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.587 31.880 18.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.100 33.555 18.242 1.00 0.00 H new ATOM 0 HG LEU A 50 34.329 31.374 19.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.213 31.498 18.258 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.691 30.994 17.486 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.264 32.670 17.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.226 32.950 20.186 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.328 34.167 19.249 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.715 33.631 20.832 1.00 0.00 H new ATOM 857 N GLU A 51 29.881 32.504 18.985 1.00 0.00 N ATOM 858 CA GLU A 51 28.559 32.798 18.422 1.00 0.00 C ATOM 859 C GLU A 51 27.535 33.150 19.515 1.00 0.00 C ATOM 860 O GLU A 51 26.694 34.021 19.307 1.00 0.00 O ATOM 861 CB GLU A 51 28.090 31.612 17.559 1.00 0.00 C ATOM 862 CG GLU A 51 29.080 31.319 16.417 1.00 0.00 C ATOM 863 CD GLU A 51 28.774 30.030 15.651 1.00 0.00 C ATOM 864 OE1 GLU A 51 28.341 29.020 16.255 1.00 0.00 O ATOM 865 OE2 GLU A 51 29.055 30.000 14.425 1.00 0.00 O ATOM 0 H GLU A 51 30.103 31.508 18.981 1.00 0.00 H new ATOM 0 HA GLU A 51 28.641 33.680 17.787 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.982 30.726 18.184 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.107 31.830 17.142 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.073 32.156 15.719 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.087 31.256 16.829 1.00 0.00 H new ATOM 872 N LEU A 52 27.665 32.572 20.720 1.00 0.00 N ATOM 873 CA LEU A 52 26.946 33.047 21.915 1.00 0.00 C ATOM 874 C LEU A 52 27.429 34.418 22.425 1.00 0.00 C ATOM 875 O LEU A 52 26.801 34.985 23.313 1.00 0.00 O ATOM 876 CB LEU A 52 26.984 32.011 23.061 1.00 0.00 C ATOM 877 CG LEU A 52 26.422 30.614 22.730 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.098 29.872 24.025 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.122 30.642 21.916 1.00 0.00 C ATOM 0 H LEU A 52 28.267 31.767 20.894 1.00 0.00 H new ATOM 0 HA LEU A 52 25.914 33.175 21.588 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.018 31.897 23.386 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.426 32.414 23.907 1.00 0.00 H new ATOM 0 HG LEU A 52 27.196 30.126 22.138 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.701 28.885 23.789 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.005 29.766 24.620 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.357 30.435 24.591 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.791 29.621 21.724 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.353 31.173 22.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.297 31.151 20.968 1.00 0.00 H new ATOM 891 N GLN A 53 28.594 34.879 21.978 1.00 0.00 N ATOM 892 CA GLN A 53 29.126 36.170 22.432 1.00 0.00 C ATOM 893 C GLN A 53 29.585 36.113 23.900 1.00 0.00 C ATOM 894 O GLN A 53 29.701 37.139 24.569 1.00 0.00 O ATOM 895 CB GLN A 53 28.062 37.258 22.287 1.00 0.00 C ATOM 896 CG GLN A 53 27.447 37.339 20.899 1.00 0.00 C ATOM 897 CD GLN A 53 26.405 38.435 20.785 1.00 0.00 C ATOM 898 OE1 GLN A 53 26.196 39.208 21.719 1.00 0.00 O ATOM 899 NE2 GLN A 53 25.745 38.506 19.634 1.00 0.00 N ATOM 0 H GLN A 53 29.186 34.387 21.309 1.00 0.00 H new ATOM 0 HA GLN A 53 29.989 36.402 21.808 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.270 37.077 23.014 1.00 0.00 H new ATOM 0 HB3 GLN A 53 28.507 38.222 22.533 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.235 37.514 20.166 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.990 36.381 20.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.951 37.844 18.886 1.00 0.00 H new ATOM 0 HE22 GLN A 53 25.032 39.223 19.498 1.00 0.00 H new ATOM 908 N TYR A 54 29.841 34.900 24.378 1.00 0.00 N ATOM 909 CA TYR A 54 30.278 34.658 25.764 1.00 0.00 C ATOM 910 C TYR A 54 31.803 34.556 25.873 1.00 0.00 C ATOM 911 O TYR A 54 32.348 34.769 26.956 1.00 0.00 O ATOM 912 CB TYR A 54 29.623 33.382 26.323 1.00 0.00 C ATOM 913 CG TYR A 54 28.104 33.361 26.396 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.349 34.548 26.316 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.439 32.126 26.537 1.00 0.00 C ATOM 916 CE1 TYR A 54 25.947 34.503 26.290 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.029 32.081 26.567 1.00 0.00 C ATOM 918 CZ TYR A 54 25.280 33.265 26.384 1.00 0.00 C ATOM 919 OH TYR A 54 23.926 33.218 26.260 1.00 0.00 O ATOM 0 H TYR A 54 29.754 34.050 23.821 1.00 0.00 H new ATOM 0 HA TYR A 54 29.958 35.515 26.357 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.944 32.540 25.710 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.013 33.213 27.327 1.00 0.00 H new ATOM 0 HD1 TYR A 54 27.854 35.502 26.274 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.010 31.213 26.622 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.379 35.417 26.198 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.522 31.141 26.730 1.00 0.00 H new ATOM 0 HH TYR A 54 23.621 32.291 26.348 1.00 0.00 H new ATOM 929 N VAL A 55 32.494 34.237 24.772 1.00 0.00 N ATOM 930 CA VAL A 55 33.963 34.195 24.701 1.00 0.00 C ATOM 931 C VAL A 55 34.476 34.928 23.456 1.00 0.00 C ATOM 932 O VAL A 55 33.725 35.180 22.512 1.00 0.00 O ATOM 933 CB VAL A 55 34.526 32.753 24.820 1.00 0.00 C ATOM 934 CG1 VAL A 55 33.981 32.010 26.044 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.303 31.925 23.553 1.00 0.00 C ATOM 0 H VAL A 55 32.042 33.996 23.890 1.00 0.00 H new ATOM 0 HA VAL A 55 34.344 34.729 25.571 1.00 0.00 H new ATOM 0 HB VAL A 55 35.601 32.874 24.952 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.406 31.007 26.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.253 32.552 26.950 1.00 0.00 H new ATOM 0 HG13 VAL A 55 32.895 31.942 25.974 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.717 30.926 23.693 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.235 31.850 23.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 34.799 32.408 22.711 1.00 0.00 H new ATOM 945 N LYS A 56 35.773 35.250 23.438 1.00 0.00 N ATOM 946 CA LYS A 56 36.495 35.875 22.316 1.00 0.00 C ATOM 947 C LYS A 56 37.765 35.102 21.952 1.00 0.00 C ATOM 948 O LYS A 56 38.182 34.209 22.683 1.00 0.00 O ATOM 949 CB LYS A 56 36.827 37.334 22.676 1.00 0.00 C ATOM 950 CG LYS A 56 36.774 38.294 21.472 1.00 0.00 C ATOM 951 CD LYS A 56 35.430 39.025 21.359 1.00 0.00 C ATOM 952 CE LYS A 56 35.385 40.131 20.294 1.00 0.00 C ATOM 953 NZ LYS A 56 34.010 40.644 20.106 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.379 35.076 24.240 1.00 0.00 H new ATOM 0 HA LYS A 56 35.851 35.853 21.437 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.127 37.680 23.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.823 37.373 23.117 1.00 0.00 H new ATOM 0 HG2 LYS A 56 37.576 39.027 21.561 1.00 0.00 H new ATOM 0 HG3 LYS A 56 36.956 37.732 20.556 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.653 38.294 21.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.188 39.463 22.327 1.00 0.00 H new ATOM 0 HE2 LYS A 56 36.043 40.949 20.588 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.763 39.743 19.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.014 41.389 19.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.388 39.868 19.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.660 41.036 21.003 1.00 0.00 H new ATOM 967 N GLU A 57 38.389 35.482 20.843 1.00 0.00 N ATOM 968 CA GLU A 57 39.628 34.907 20.305 1.00 0.00 C ATOM 969 C GLU A 57 40.555 36.014 19.784 1.00 0.00 C ATOM 970 O GLU A 57 40.077 37.088 19.417 1.00 0.00 O ATOM 971 CB GLU A 57 39.293 33.877 19.207 1.00 0.00 C ATOM 972 CG GLU A 57 38.617 34.426 17.933 1.00 0.00 C ATOM 973 CD GLU A 57 39.559 35.163 16.963 1.00 0.00 C ATOM 974 OE1 GLU A 57 39.097 36.106 16.275 1.00 0.00 O ATOM 975 OE2 GLU A 57 40.753 34.805 16.878 1.00 0.00 O ATOM 0 H GLU A 57 38.030 36.239 20.261 1.00 0.00 H new ATOM 0 HA GLU A 57 40.160 34.389 21.103 1.00 0.00 H new ATOM 0 HB2 GLU A 57 40.216 33.377 18.915 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.642 33.117 19.639 1.00 0.00 H new ATOM 0 HG2 GLU A 57 38.149 33.597 17.402 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.818 35.107 18.228 1.00 0.00 H new ATOM 1076 N LYS A 65 47.327 31.089 19.910 1.00 0.00 N ATOM 1077 CA LYS A 65 46.177 31.896 20.334 1.00 0.00 C ATOM 1078 C LYS A 65 45.778 31.646 21.784 1.00 0.00 C ATOM 1079 O LYS A 65 46.171 30.660 22.401 1.00 0.00 O ATOM 1080 CB LYS A 65 44.964 31.653 19.420 1.00 0.00 C ATOM 1081 CG LYS A 65 44.734 30.215 18.925 1.00 0.00 C ATOM 1082 CD LYS A 65 43.519 29.985 18.013 1.00 0.00 C ATOM 1083 CE LYS A 65 43.338 28.532 17.564 1.00 0.00 C ATOM 1084 NZ LYS A 65 42.200 28.339 16.641 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.495 32.935 20.253 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.069 31.974 19.954 1.00 0.00 H new ATOM 0 HB3 LYS A 65 45.064 32.299 18.548 1.00 0.00 H new ATOM 0 HG2 LYS A 65 45.627 29.893 18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.633 29.567 19.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 42.619 30.306 18.537 1.00 0.00 H new ATOM 0 HD3 LYS A 65 43.616 30.617 17.130 1.00 0.00 H new ATOM 0 HE2 LYS A 65 44.252 28.194 17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.194 27.903 18.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 42.134 27.335 16.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 41.319 28.632 17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 42.345 28.913 15.786 1.00 0.00 H new ATOM 1098 N THR A 66 44.887 32.502 22.270 1.00 0.00 N ATOM 1099 CA THR A 66 44.199 32.366 23.551 1.00 0.00 C ATOM 1100 C THR A 66 42.777 32.925 23.458 1.00 0.00 C ATOM 1101 O THR A 66 42.461 33.662 22.520 1.00 0.00 O ATOM 1102 CB THR A 66 45.051 33.004 24.648 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.517 32.711 25.910 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.177 34.525 24.549 1.00 0.00 C ATOM 0 H THR A 66 44.612 33.344 21.763 1.00 0.00 H new ATOM 0 HA THR A 66 44.080 31.315 23.815 1.00 0.00 H new ATOM 0 HB THR A 66 46.044 32.577 24.511 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.072 33.124 26.604 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.798 34.893 25.366 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.636 34.791 23.597 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.187 34.977 24.614 1.00 0.00 H new ATOM 1112 N PHE A 67 41.921 32.530 24.400 1.00 0.00 N ATOM 1113 CA PHE A 67 40.492 32.843 24.430 1.00 0.00 C ATOM 1114 C PHE A 67 40.115 33.404 25.808 1.00 0.00 C ATOM 1115 O PHE A 67 40.584 32.886 26.823 1.00 0.00 O ATOM 1116 CB PHE A 67 39.668 31.583 24.087 1.00 0.00 C ATOM 1117 CG PHE A 67 40.023 30.910 22.767 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.050 29.947 22.720 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.333 31.244 21.585 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.403 29.345 21.499 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.672 30.625 20.369 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.707 29.677 20.324 1.00 0.00 C ATOM 0 H PHE A 67 42.215 31.961 25.194 1.00 0.00 H new ATOM 0 HA PHE A 67 40.266 33.602 23.681 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.794 30.857 24.891 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.613 31.855 24.065 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.569 29.670 23.626 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.541 31.978 21.613 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.209 28.627 21.464 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.135 30.879 19.467 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.968 29.204 19.389 1.00 0.00 H new ATOM 1132 N TYR A 68 39.276 34.442 25.853 1.00 0.00 N ATOM 1133 CA TYR A 68 38.843 35.120 27.087 1.00 0.00 C ATOM 1134 C TYR A 68 37.320 35.274 27.150 1.00 0.00 C ATOM 1135 O TYR A 68 36.643 35.147 26.131 1.00 0.00 O ATOM 1136 CB TYR A 68 39.549 36.478 27.238 1.00 0.00 C ATOM 1137 CG TYR A 68 39.283 37.510 26.152 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.044 38.185 26.098 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.308 37.863 25.252 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.841 39.229 25.176 1.00 0.00 C ATOM 1141 CE2 TYR A 68 40.106 38.901 24.321 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.877 39.595 24.289 1.00 0.00 C ATOM 1143 OH TYR A 68 38.696 40.614 23.411 1.00 0.00 O ATOM 0 H TYR A 68 38.866 34.848 25.012 1.00 0.00 H new ATOM 0 HA TYR A 68 39.133 34.490 27.928 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.257 36.909 28.196 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.623 36.300 27.283 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.247 37.898 26.768 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.251 37.337 25.276 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.895 39.749 25.147 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.893 39.166 23.630 1.00 0.00 H new ATOM 0 HH TYR A 68 39.509 40.734 22.877 1.00 0.00 H new ATOM 1153 N ILE A 69 36.778 35.549 28.339 1.00 0.00 N ATOM 1154 CA ILE A 69 35.331 35.693 28.571 1.00 0.00 C ATOM 1155 C ILE A 69 34.880 37.149 28.395 1.00 0.00 C ATOM 1156 O ILE A 69 35.389 38.048 29.066 1.00 0.00 O ATOM 1157 CB ILE A 69 34.952 35.136 29.962 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.527 33.723 30.231 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.429 35.123 30.165 1.00 0.00 C ATOM 1160 CD1 ILE A 69 35.196 32.691 29.145 1.00 0.00 C ATOM 0 H ILE A 69 37.336 35.681 29.182 1.00 0.00 H new ATOM 0 HA ILE A 69 34.801 35.106 27.821 1.00 0.00 H new ATOM 0 HB ILE A 69 35.407 35.816 30.683 1.00 0.00 H new ATOM 0 HG12 ILE A 69 36.610 33.796 30.328 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.145 33.363 31.186 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.197 34.726 31.153 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.042 36.139 30.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.966 34.495 29.404 1.00 0.00 H new ATOM 0 HD11 ILE A 69 35.636 31.730 29.411 1.00 0.00 H new ATOM 0 HD12 ILE A 69 34.114 32.585 29.062 1.00 0.00 H new ATOM 0 HD13 ILE A 69 35.603 33.024 28.190 1.00 0.00 H new ATOM 1172 N THR A 70 33.926 37.393 27.495 1.00 0.00 N ATOM 1173 CA THR A 70 33.323 38.712 27.235 1.00 0.00 C ATOM 1174 C THR A 70 32.197 39.040 28.228 1.00 0.00 C ATOM 1175 O THR A 70 31.517 38.128 28.708 1.00 0.00 O ATOM 1176 CB THR A 70 32.798 38.796 25.787 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.831 37.810 25.508 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.930 38.575 24.790 1.00 0.00 C ATOM 0 H THR A 70 33.536 36.658 26.905 1.00 0.00 H new ATOM 0 HA THR A 70 34.109 39.455 27.372 1.00 0.00 H new ATOM 0 HB THR A 70 32.360 39.789 25.691 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.075 38.218 25.037 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.538 38.638 23.775 1.00 0.00 H new ATOM 0 HG22 THR A 70 34.694 39.339 24.932 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.368 37.590 24.949 1.00 0.00 H new ATOM 1186 N PRO A 71 31.939 40.332 28.531 1.00 0.00 N ATOM 1187 CA PRO A 71 31.019 40.755 29.600 1.00 0.00 C ATOM 1188 C PRO A 71 29.582 40.256 29.404 1.00 0.00 C ATOM 1189 O PRO A 71 28.882 40.003 30.379 1.00 0.00 O ATOM 1190 CB PRO A 71 31.075 42.286 29.606 1.00 0.00 C ATOM 1191 CG PRO A 71 31.440 42.618 28.163 1.00 0.00 C ATOM 1192 CD PRO A 71 32.442 41.512 27.837 1.00 0.00 C ATOM 0 HA PRO A 71 31.328 40.322 30.552 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.119 42.724 29.892 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.820 42.660 30.308 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.572 42.592 27.504 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.881 43.611 28.070 1.00 0.00 H new ATOM 0 HD2 PRO A 71 32.506 41.341 26.762 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.444 41.774 28.178 1.00 0.00 H new ATOM 1200 N ASN A 72 29.154 40.035 28.160 1.00 0.00 N ATOM 1201 CA ASN A 72 27.835 39.489 27.840 1.00 0.00 C ATOM 1202 C ASN A 72 27.616 38.090 28.450 1.00 0.00 C ATOM 1203 O ASN A 72 26.500 37.743 28.833 1.00 0.00 O ATOM 1204 CB ASN A 72 27.686 39.468 26.311 1.00 0.00 C ATOM 1205 CG ASN A 72 28.015 40.819 25.714 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.161 41.112 25.406 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.048 41.699 25.640 1.00 0.00 N ATOM 0 H ASN A 72 29.722 40.233 27.336 1.00 0.00 H new ATOM 0 HA ASN A 72 27.067 40.124 28.281 1.00 0.00 H new ATOM 0 HB2 ASN A 72 28.345 38.710 25.888 1.00 0.00 H new ATOM 0 HB3 ASN A 72 26.667 39.188 26.045 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.245 42.648 25.321 1.00 0.00 H new ATOM 0 HD22 ASN A 72 26.098 41.436 25.901 1.00 0.00 H new ATOM 1214 N GLY A 73 28.686 37.300 28.606 1.00 0.00 N ATOM 1215 CA GLY A 73 28.633 36.030 29.328 1.00 0.00 C ATOM 1216 C GLY A 73 28.516 36.214 30.844 1.00 0.00 C ATOM 1217 O GLY A 73 27.744 35.483 31.458 1.00 0.00 O ATOM 0 H GLY A 73 29.609 37.526 28.235 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.783 35.449 28.970 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.530 35.453 29.105 1.00 0.00 H new ATOM 1221 N ILE A 74 29.192 37.208 31.447 1.00 0.00 N ATOM 1222 CA ILE A 74 29.111 37.538 32.886 1.00 0.00 C ATOM 1223 C ILE A 74 27.658 37.779 33.323 1.00 0.00 C ATOM 1224 O ILE A 74 27.283 37.352 34.416 1.00 0.00 O ATOM 1225 CB ILE A 74 30.039 38.731 33.245 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.535 38.395 33.075 1.00 0.00 C ATOM 1227 CG2 ILE A 74 29.865 39.214 34.699 1.00 0.00 C ATOM 1228 CD1 ILE A 74 32.500 39.577 33.153 1.00 0.00 C ATOM 0 H ILE A 74 29.827 37.821 30.936 1.00 0.00 H new ATOM 0 HA ILE A 74 29.472 36.676 33.448 1.00 0.00 H new ATOM 0 HB ILE A 74 29.738 39.512 32.547 1.00 0.00 H new ATOM 0 HG12 ILE A 74 31.814 37.672 33.842 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.670 37.905 32.111 1.00 0.00 H new ATOM 0 HG21 ILE A 74 30.540 40.049 34.888 1.00 0.00 H new ATOM 0 HG22 ILE A 74 28.836 39.537 34.854 1.00 0.00 H new ATOM 0 HG23 ILE A 74 30.096 38.398 35.384 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.522 39.222 33.020 1.00 0.00 H new ATOM 0 HD12 ILE A 74 32.260 40.295 32.368 1.00 0.00 H new ATOM 0 HD13 ILE A 74 32.407 40.059 34.126 1.00 0.00 H new ATOM 1240 N GLU A 75 26.822 38.376 32.462 1.00 0.00 N ATOM 1241 CA GLU A 75 25.375 38.526 32.691 1.00 0.00 C ATOM 1242 C GLU A 75 24.683 37.169 32.941 1.00 0.00 C ATOM 1243 O GLU A 75 23.885 37.032 33.872 1.00 0.00 O ATOM 1244 CB GLU A 75 24.705 39.222 31.487 1.00 0.00 C ATOM 1245 CG GLU A 75 25.295 40.593 31.103 1.00 0.00 C ATOM 1246 CD GLU A 75 24.589 41.215 29.881 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.194 42.016 29.128 1.00 0.00 O ATOM 1248 OE2 GLU A 75 23.395 40.913 29.650 1.00 0.00 O ATOM 0 H GLU A 75 27.134 38.774 31.576 1.00 0.00 H new ATOM 0 HA GLU A 75 25.259 39.139 33.585 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.773 38.561 30.623 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.645 39.350 31.707 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.212 41.272 31.952 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.358 40.481 30.887 1.00 0.00 H new ATOM 1255 N LYS A 76 25.031 36.133 32.164 1.00 0.00 N ATOM 1256 CA LYS A 76 24.497 34.765 32.309 1.00 0.00 C ATOM 1257 C LYS A 76 24.962 34.106 33.604 1.00 0.00 C ATOM 1258 O LYS A 76 24.182 33.413 34.254 1.00 0.00 O ATOM 1259 CB LYS A 76 24.910 33.877 31.119 1.00 0.00 C ATOM 1260 CG LYS A 76 24.718 34.500 29.727 1.00 0.00 C ATOM 1261 CD LYS A 76 23.305 35.021 29.443 1.00 0.00 C ATOM 1262 CE LYS A 76 22.276 33.880 29.377 1.00 0.00 C ATOM 1263 NZ LYS A 76 20.891 34.383 29.510 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.704 36.221 31.402 1.00 0.00 H new ATOM 0 HA LYS A 76 23.411 34.859 32.334 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.960 33.609 31.236 1.00 0.00 H new ATOM 0 HB3 LYS A 76 24.338 32.950 31.165 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.423 35.324 29.613 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.973 33.755 28.973 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.015 35.727 30.221 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.302 35.567 28.500 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.381 33.350 28.431 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.479 33.160 30.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.226 33.585 29.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.784 34.867 30.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.689 35.051 28.739 1.00 0.00 H new ATOM 1277 N LEU A 77 26.212 34.355 34.011 1.00 0.00 N ATOM 1278 CA LEU A 77 26.785 33.801 35.247 1.00 0.00 C ATOM 1279 C LEU A 77 26.210 34.436 36.530 1.00 0.00 C ATOM 1280 O LEU A 77 26.679 34.106 37.624 1.00 0.00 O ATOM 1281 CB LEU A 77 28.334 33.820 35.268 1.00 0.00 C ATOM 1282 CG LEU A 77 29.118 33.597 33.968 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.588 33.952 34.174 1.00 0.00 C ATOM 1284 CD2 LEU A 77 29.058 32.194 33.374 1.00 0.00 C ATOM 0 H LEU A 77 26.859 34.949 33.491 1.00 0.00 H new ATOM 0 HA LEU A 77 26.475 32.756 35.241 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.642 34.785 35.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.659 33.059 35.978 1.00 0.00 H new ATOM 0 HG LEU A 77 28.620 34.251 33.253 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.135 33.790 33.245 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.672 34.999 34.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 31.008 33.321 34.957 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.649 32.161 32.459 1.00 0.00 H new ATOM 0 HD22 LEU A 77 29.459 31.478 34.091 1.00 0.00 H new ATOM 0 HD23 LEU A 77 28.023 31.939 33.146 1.00 0.00 H new