USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 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 Single : A 4 ASN : amide:sc= -0.24 K(o=-0.24,f=-8.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00637 K(o=-0.0064,f=-1.2!) 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 13 MET CE :methyl -172:sc= 0 (180deg=-0.0731) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00102 X(o=-0.001,f=-0.038) USER MOD Single : A 18 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.43) USER MOD Single : A 19 CYS SG : rot -155:sc= 2.05 USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.32 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 28 TYR OH : rot 104:sc= 1.29 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 31:sc= 0.687 USER MOD Single : A 33 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.8!) USER MOD Single : A 35 SER OG : rot 79:sc= 1.3 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.0143 (180deg=-0.132) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 39 MET CE :methyl -167:sc= 0 (180deg=-0.187) 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 -150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0508 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= -0.867 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -152:sc= 1.32 USER MOD Single : A 72 ASN : amide:sc= 0.207 K(o=0.21,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 21.953 24.105 28.503 1.00 0.00 N ATOM 47 CA ASN A 4 22.345 22.753 28.124 1.00 0.00 C ATOM 48 C ASN A 4 23.677 22.323 28.747 1.00 0.00 C ATOM 49 O ASN A 4 24.640 23.088 28.736 1.00 0.00 O ATOM 50 CB ASN A 4 22.548 22.666 26.610 1.00 0.00 C ATOM 51 CG ASN A 4 22.525 21.238 26.100 1.00 0.00 C ATOM 52 OD1 ASN A 4 22.723 20.290 26.860 1.00 0.00 O ATOM 53 ND2 ASN A 4 22.283 21.077 24.803 1.00 0.00 N ATOM 0 HA ASN A 4 21.542 22.107 28.478 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.768 23.239 26.109 1.00 0.00 H new ATOM 0 HB3 ASN A 4 23.501 23.126 26.348 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.256 20.140 24.402 1.00 0.00 H new ATOM 0 HD22 ASN A 4 22.124 21.891 24.209 1.00 0.00 H new ATOM 60 N LYS A 5 23.728 21.109 29.281 1.00 0.00 N ATOM 61 CA LYS A 5 24.926 20.606 29.952 1.00 0.00 C ATOM 62 C LYS A 5 25.974 20.096 28.971 1.00 0.00 C ATOM 63 O LYS A 5 27.069 19.696 29.368 1.00 0.00 O ATOM 64 CB LYS A 5 24.554 19.489 30.929 1.00 0.00 C ATOM 65 CG LYS A 5 25.691 19.068 31.846 1.00 0.00 C ATOM 66 CD LYS A 5 25.319 17.848 32.671 1.00 0.00 C ATOM 67 CE LYS A 5 24.022 18.069 33.434 1.00 0.00 C ATOM 68 NZ LYS A 5 23.717 16.941 34.358 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.950 20.449 29.263 1.00 0.00 H new ATOM 0 HA LYS A 5 25.362 21.446 30.493 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.712 19.818 31.538 1.00 0.00 H new ATOM 0 HB3 LYS A 5 24.217 18.621 30.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 26.578 18.849 31.251 1.00 0.00 H new ATOM 0 HG3 LYS A 5 25.948 19.893 32.510 1.00 0.00 H new ATOM 0 HD2 LYS A 5 25.215 16.982 32.017 1.00 0.00 H new ATOM 0 HD3 LYS A 5 26.122 17.623 33.373 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.090 18.996 34.004 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.202 18.190 32.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.825 17.133 34.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 23.626 16.060 33.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.487 16.841 35.050 1.00 0.00 H new ATOM 82 N ASN A 6 25.630 20.114 27.692 1.00 0.00 N ATOM 83 CA ASN A 6 26.539 19.600 26.657 1.00 0.00 C ATOM 84 C ASN A 6 27.471 20.702 26.128 1.00 0.00 C ATOM 85 O ASN A 6 28.690 20.576 26.175 1.00 0.00 O ATOM 86 CB ASN A 6 25.718 19.008 25.507 1.00 0.00 C ATOM 87 CG ASN A 6 25.040 17.717 25.890 1.00 0.00 C ATOM 88 OD1 ASN A 6 25.464 17.030 26.805 1.00 0.00 O ATOM 89 ND2 ASN A 6 23.948 17.367 25.257 1.00 0.00 N ATOM 0 H ASN A 6 24.742 20.472 27.341 1.00 0.00 H new ATOM 0 HA ASN A 6 27.163 18.825 27.102 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.965 19.731 25.192 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.370 18.833 24.651 1.00 0.00 H new ATOM 0 HD21 ASN A 6 23.451 16.519 25.529 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.595 17.943 24.492 1.00 0.00 H new ATOM 96 N GLU A 7 26.895 21.808 25.662 1.00 0.00 N ATOM 97 CA GLU A 7 27.595 22.957 25.110 1.00 0.00 C ATOM 98 C GLU A 7 28.084 23.894 26.226 1.00 0.00 C ATOM 99 O GLU A 7 29.277 24.152 26.368 1.00 0.00 O ATOM 100 CB GLU A 7 26.584 23.600 24.154 1.00 0.00 C ATOM 101 CG GLU A 7 27.072 24.892 23.519 1.00 0.00 C ATOM 102 CD GLU A 7 26.318 25.194 22.215 1.00 0.00 C ATOM 103 OE1 GLU A 7 25.084 24.965 22.172 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.993 25.616 21.246 1.00 0.00 O ATOM 0 H GLU A 7 25.882 21.929 25.661 1.00 0.00 H new ATOM 0 HA GLU A 7 28.507 22.692 24.576 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.341 22.888 23.365 1.00 0.00 H new ATOM 0 HB3 GLU A 7 25.661 23.800 24.698 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.937 25.717 24.219 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.140 24.818 23.315 1.00 0.00 H new ATOM 111 N TYR A 8 27.178 24.285 27.129 1.00 0.00 N ATOM 112 CA TYR A 8 27.455 25.043 28.355 1.00 0.00 C ATOM 113 C TYR A 8 28.386 24.303 29.330 1.00 0.00 C ATOM 114 O TYR A 8 28.858 24.904 30.289 1.00 0.00 O ATOM 115 CB TYR A 8 26.110 25.460 28.988 1.00 0.00 C ATOM 116 CG TYR A 8 26.149 26.835 29.624 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.570 26.981 30.954 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.808 27.978 28.872 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.735 28.258 31.520 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.929 29.258 29.447 1.00 0.00 C ATOM 121 CZ TYR A 8 26.420 29.403 30.760 1.00 0.00 C ATOM 122 OH TYR A 8 26.616 30.644 31.266 1.00 0.00 O ATOM 0 H TYR A 8 26.186 24.072 27.020 1.00 0.00 H new ATOM 0 HA TYR A 8 28.016 25.941 28.097 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.335 25.443 28.222 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.828 24.726 29.743 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.770 26.103 31.550 1.00 0.00 H new ATOM 0 HD2 TYR A 8 25.455 27.872 27.857 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.101 28.361 32.531 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.644 30.132 28.880 1.00 0.00 H new ATOM 0 HH TYR A 8 26.345 31.314 30.604 1.00 0.00 H new ATOM 132 N LYS A 9 28.745 23.036 29.061 1.00 0.00 N ATOM 133 CA LYS A 9 29.705 22.249 29.854 1.00 0.00 C ATOM 134 C LYS A 9 31.029 22.999 30.065 1.00 0.00 C ATOM 135 O LYS A 9 31.510 23.100 31.190 1.00 0.00 O ATOM 136 CB LYS A 9 29.960 20.909 29.141 1.00 0.00 C ATOM 137 CG LYS A 9 30.278 19.749 30.097 1.00 0.00 C ATOM 138 CD LYS A 9 30.409 18.437 29.304 1.00 0.00 C ATOM 139 CE LYS A 9 30.383 17.224 30.240 1.00 0.00 C ATOM 140 NZ LYS A 9 30.569 15.955 29.496 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.367 22.519 28.267 1.00 0.00 H new ATOM 0 HA LYS A 9 29.276 22.076 30.841 1.00 0.00 H new ATOM 0 HB2 LYS A 9 29.082 20.650 28.550 1.00 0.00 H new ATOM 0 HB3 LYS A 9 30.789 21.031 28.444 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.204 19.953 30.635 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.490 19.655 30.844 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.596 18.361 28.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 31.339 18.443 28.736 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.168 17.325 30.989 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.434 17.197 30.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.546 15.156 30.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.806 15.847 28.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.486 15.971 29.006 1.00 0.00 H new ATOM 154 N ILE A 10 31.568 23.603 28.994 1.00 0.00 N ATOM 155 CA ILE A 10 32.790 24.429 29.032 1.00 0.00 C ATOM 156 C ILE A 10 32.635 25.586 30.025 1.00 0.00 C ATOM 157 O ILE A 10 33.478 25.785 30.897 1.00 0.00 O ATOM 158 CB ILE A 10 33.115 24.998 27.626 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.515 23.916 26.600 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.251 26.039 27.710 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.361 23.436 25.716 1.00 0.00 C ATOM 0 H ILE A 10 31.162 23.531 28.061 1.00 0.00 H new ATOM 0 HA ILE A 10 33.610 23.789 29.356 1.00 0.00 H new ATOM 0 HB ILE A 10 32.191 25.460 27.278 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.307 24.310 25.963 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.930 23.061 27.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.464 26.426 26.714 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.946 26.859 28.360 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.147 25.568 28.116 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.725 22.677 25.023 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.576 23.010 26.341 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.959 24.278 25.153 1.00 0.00 H new ATOM 173 N LEU A 11 31.532 26.328 29.886 1.00 0.00 N ATOM 174 CA LEU A 11 31.186 27.515 30.677 1.00 0.00 C ATOM 175 C LEU A 11 30.963 27.210 32.174 1.00 0.00 C ATOM 176 O LEU A 11 30.906 28.129 32.988 1.00 0.00 O ATOM 177 CB LEU A 11 29.977 28.198 30.006 1.00 0.00 C ATOM 178 CG LEU A 11 30.339 28.913 28.682 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.077 29.274 27.915 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.140 30.200 28.904 1.00 0.00 C ATOM 0 H LEU A 11 30.823 26.108 29.187 1.00 0.00 H new ATOM 0 HA LEU A 11 32.032 28.203 30.682 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.208 27.451 29.810 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.547 28.923 30.697 1.00 0.00 H new ATOM 0 HG LEU A 11 30.955 28.213 28.118 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.347 29.776 26.986 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.517 28.367 27.688 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.461 29.938 28.521 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.366 30.659 27.941 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.555 30.893 29.508 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.070 29.965 29.421 1.00 0.00 H new ATOM 192 N ILE A 12 30.901 25.927 32.541 1.00 0.00 N ATOM 193 CA ILE A 12 30.780 25.438 33.921 1.00 0.00 C ATOM 194 C ILE A 12 32.147 25.008 34.481 1.00 0.00 C ATOM 195 O ILE A 12 32.444 25.297 35.641 1.00 0.00 O ATOM 196 CB ILE A 12 29.718 24.316 33.976 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.352 24.876 33.508 1.00 0.00 C ATOM 198 CG2 ILE A 12 29.604 23.713 35.389 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.351 23.795 33.101 1.00 0.00 C ATOM 0 H ILE A 12 30.935 25.169 31.859 1.00 0.00 H new ATOM 0 HA ILE A 12 30.439 26.245 34.569 1.00 0.00 H new ATOM 0 HB ILE A 12 30.028 23.513 33.307 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.921 25.474 34.310 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.514 25.545 32.663 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.848 22.928 35.390 1.00 0.00 H new ATOM 0 HG22 ILE A 12 30.565 23.292 35.683 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.318 24.492 36.095 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.419 24.263 32.785 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.761 23.211 32.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.158 23.139 33.950 1.00 0.00 H new ATOM 211 N MET A 13 33.031 24.428 33.660 1.00 0.00 N ATOM 212 CA MET A 13 34.383 24.042 34.093 1.00 0.00 C ATOM 213 C MET A 13 35.183 25.230 34.645 1.00 0.00 C ATOM 214 O MET A 13 35.763 25.138 35.727 1.00 0.00 O ATOM 215 CB MET A 13 35.172 23.396 32.945 1.00 0.00 C ATOM 216 CG MET A 13 34.547 22.099 32.435 1.00 0.00 C ATOM 217 SD MET A 13 35.750 20.956 31.703 1.00 0.00 S ATOM 218 CE MET A 13 34.879 19.390 31.976 1.00 0.00 C ATOM 0 H MET A 13 32.833 24.213 32.683 1.00 0.00 H new ATOM 0 HA MET A 13 34.246 23.318 34.896 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.245 24.105 32.120 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.189 23.193 33.282 1.00 0.00 H new ATOM 0 HG2 MET A 13 34.039 21.600 33.261 1.00 0.00 H new ATOM 0 HG3 MET A 13 33.787 22.339 31.692 1.00 0.00 H new ATOM 0 HE1 MET A 13 35.535 18.559 31.716 1.00 0.00 H new ATOM 0 HE2 MET A 13 34.592 19.311 33.025 1.00 0.00 H new ATOM 0 HE3 MET A 13 33.986 19.357 31.352 1.00 0.00 H new ATOM 228 N LEU A 14 35.186 26.373 33.948 1.00 0.00 N ATOM 229 CA LEU A 14 35.907 27.561 34.418 1.00 0.00 C ATOM 230 C LEU A 14 35.252 28.232 35.639 1.00 0.00 C ATOM 231 O LEU A 14 35.952 28.915 36.388 1.00 0.00 O ATOM 232 CB LEU A 14 36.203 28.582 33.303 1.00 0.00 C ATOM 233 CG LEU A 14 35.842 28.261 31.843 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.403 28.675 31.566 1.00 0.00 C ATOM 235 CD2 LEU A 14 36.764 29.032 30.899 1.00 0.00 C ATOM 0 H LEU A 14 34.699 26.500 33.061 1.00 0.00 H new ATOM 0 HA LEU A 14 36.871 27.177 34.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.689 29.506 33.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 37.272 28.792 33.333 1.00 0.00 H new ATOM 0 HG LEU A 14 35.958 27.190 31.680 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.151 28.446 30.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.733 28.130 32.231 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.293 29.746 31.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 36.503 28.800 29.866 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.649 30.102 31.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.799 28.744 31.085 1.00 0.00 H new ATOM 247 N LYS A 15 33.950 28.017 35.871 1.00 0.00 N ATOM 248 CA LYS A 15 33.261 28.388 37.116 1.00 0.00 C ATOM 249 C LYS A 15 33.792 27.569 38.291 1.00 0.00 C ATOM 250 O LYS A 15 34.164 28.157 39.298 1.00 0.00 O ATOM 251 CB LYS A 15 31.731 28.277 36.920 1.00 0.00 C ATOM 252 CG LYS A 15 30.865 28.089 38.177 1.00 0.00 C ATOM 253 CD LYS A 15 30.981 29.246 39.173 1.00 0.00 C ATOM 254 CE LYS A 15 29.889 29.164 40.245 1.00 0.00 C ATOM 255 NZ LYS A 15 30.159 28.117 41.263 1.00 0.00 N1+ ATOM 0 H LYS A 15 33.335 27.573 35.188 1.00 0.00 H new ATOM 0 HA LYS A 15 33.471 29.429 37.363 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.391 29.178 36.409 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.538 27.439 36.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.823 27.980 37.878 1.00 0.00 H new ATOM 0 HG3 LYS A 15 31.153 27.162 38.673 1.00 0.00 H new ATOM 0 HD2 LYS A 15 31.962 29.225 39.647 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.904 30.195 38.643 1.00 0.00 H new ATOM 0 HE2 LYS A 15 29.799 30.131 40.740 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.931 28.960 39.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.389 28.106 41.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 30.218 27.188 40.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 31.059 28.322 41.742 1.00 0.00 H new ATOM 269 N GLU A 16 33.858 26.243 38.180 1.00 0.00 N ATOM 270 CA GLU A 16 34.366 25.404 39.278 1.00 0.00 C ATOM 271 C GLU A 16 35.866 25.635 39.540 1.00 0.00 C ATOM 272 O GLU A 16 36.271 25.866 40.678 1.00 0.00 O ATOM 273 CB GLU A 16 34.087 23.915 39.008 1.00 0.00 C ATOM 274 CG GLU A 16 32.586 23.604 38.887 1.00 0.00 C ATOM 275 CD GLU A 16 32.241 22.242 39.496 1.00 0.00 C ATOM 276 OE1 GLU A 16 32.032 22.175 40.726 1.00 0.00 O ATOM 277 OE2 GLU A 16 32.126 21.239 38.753 1.00 0.00 O ATOM 0 H GLU A 16 33.570 25.725 37.350 1.00 0.00 H new ATOM 0 HA GLU A 16 33.829 25.701 40.179 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.591 23.616 38.089 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.514 23.318 39.814 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.011 24.383 39.388 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.295 23.618 37.837 1.00 0.00 H new ATOM 284 N ASN A 17 36.687 25.658 38.485 1.00 0.00 N ATOM 285 CA ASN A 17 38.131 25.870 38.580 1.00 0.00 C ATOM 286 C ASN A 17 38.558 27.327 38.808 1.00 0.00 C ATOM 287 O ASN A 17 39.756 27.577 38.962 1.00 0.00 O ATOM 288 CB ASN A 17 38.837 25.356 37.325 1.00 0.00 C ATOM 289 CG ASN A 17 38.980 23.852 37.272 1.00 0.00 C ATOM 290 OD1 ASN A 17 38.024 23.095 37.309 1.00 0.00 O ATOM 291 ND2 ASN A 17 40.196 23.369 37.200 1.00 0.00 N ATOM 0 H ASN A 17 36.360 25.528 37.528 1.00 0.00 H new ATOM 0 HA ASN A 17 38.428 25.308 39.465 1.00 0.00 H new ATOM 0 HB2 ASN A 17 38.283 25.689 36.447 1.00 0.00 H new ATOM 0 HB3 ASN A 17 39.828 25.807 37.267 1.00 0.00 H new ATOM 0 HD21 ASN A 17 40.343 22.360 37.175 1.00 0.00 H new ATOM 0 HD22 ASN A 17 40.995 24.002 37.169 1.00 0.00 H new ATOM 298 N GLN A 18 37.595 28.233 38.931 1.00 0.00 N ATOM 299 CA GLN A 18 37.893 29.638 39.187 1.00 0.00 C ATOM 300 C GLN A 18 38.787 30.215 38.104 1.00 0.00 C ATOM 301 O GLN A 18 39.685 31.012 38.376 1.00 0.00 O ATOM 302 CB GLN A 18 38.566 29.794 40.552 1.00 0.00 C ATOM 303 CG GLN A 18 37.667 29.440 41.726 1.00 0.00 C ATOM 304 CD GLN A 18 36.421 30.302 41.788 1.00 0.00 C ATOM 305 OE1 GLN A 18 36.474 31.508 41.541 1.00 0.00 O ATOM 306 NE2 GLN A 18 35.292 29.689 42.122 1.00 0.00 N ATOM 0 H GLN A 18 36.600 28.020 38.858 1.00 0.00 H new ATOM 0 HA GLN A 18 36.952 30.187 39.183 1.00 0.00 H new ATOM 0 HB2 GLN A 18 39.453 29.162 40.583 1.00 0.00 H new ATOM 0 HB3 GLN A 18 38.904 30.824 40.664 1.00 0.00 H new ATOM 0 HG2 GLN A 18 37.376 28.392 41.653 1.00 0.00 H new ATOM 0 HG3 GLN A 18 38.227 29.551 42.654 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.294 28.688 42.318 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.423 30.219 42.182 1.00 0.00 H new ATOM 315 N CYS A 19 38.516 29.797 36.856 1.00 0.00 N ATOM 316 CA CYS A 19 39.276 30.267 35.707 1.00 0.00 C ATOM 317 C CYS A 19 38.580 31.421 34.984 1.00 0.00 C ATOM 318 O CYS A 19 39.069 31.890 33.956 1.00 0.00 O ATOM 319 CB CYS A 19 39.517 29.115 34.729 1.00 0.00 C ATOM 320 SG CYS A 19 40.910 28.049 35.167 1.00 0.00 S ATOM 0 H CYS A 19 37.775 29.135 36.627 1.00 0.00 H new ATOM 0 HA CYS A 19 40.229 30.640 36.082 1.00 0.00 H new ATOM 0 HB2 CYS A 19 38.614 28.508 34.671 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.688 29.527 33.735 1.00 0.00 H new ATOM 0 HG CYS A 19 41.367 27.471 34.096 1.00 0.00 H new ATOM 326 N THR A 20 37.457 31.887 35.520 1.00 0.00 N ATOM 327 CA THR A 20 36.725 32.963 34.869 1.00 0.00 C ATOM 328 C THR A 20 36.959 34.352 35.463 1.00 0.00 C ATOM 329 O THR A 20 36.682 34.622 36.630 1.00 0.00 O ATOM 330 CB THR A 20 35.209 32.686 34.889 1.00 0.00 C ATOM 331 OG1 THR A 20 34.512 33.769 34.261 1.00 0.00 O ATOM 332 CG2 THR A 20 34.712 32.526 36.317 1.00 0.00 C ATOM 0 H THR A 20 37.042 31.544 36.386 1.00 0.00 H new ATOM 0 HA THR A 20 37.117 32.976 33.852 1.00 0.00 H new ATOM 0 HB THR A 20 35.019 31.761 34.345 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.549 33.670 34.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.640 32.331 36.309 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.229 31.692 36.791 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.911 33.440 36.876 1.00 0.00 H new ATOM 340 N THR A 21 37.483 35.213 34.601 1.00 0.00 N ATOM 341 CA THR A 21 37.754 36.629 34.890 1.00 0.00 C ATOM 342 C THR A 21 38.219 37.347 33.631 1.00 0.00 C ATOM 343 O THR A 21 38.788 36.732 32.731 1.00 0.00 O ATOM 344 CB THR A 21 38.798 36.782 36.024 1.00 0.00 C ATOM 345 OG1 THR A 21 38.934 38.114 36.465 1.00 0.00 O ATOM 346 CG2 THR A 21 40.208 36.339 35.632 1.00 0.00 C ATOM 0 H THR A 21 37.742 34.945 33.651 1.00 0.00 H new ATOM 0 HA THR A 21 36.826 37.087 35.230 1.00 0.00 H new ATOM 0 HB THR A 21 38.399 36.137 36.807 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.602 38.155 37.181 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.881 36.477 36.478 1.00 0.00 H new ATOM 0 HG22 THR A 21 40.193 35.287 35.348 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.557 36.937 34.790 1.00 0.00 H new ATOM 354 N GLU A 22 38.008 38.663 33.580 1.00 0.00 N ATOM 355 CA GLU A 22 38.419 39.491 32.446 1.00 0.00 C ATOM 356 C GLU A 22 39.948 39.614 32.285 1.00 0.00 C ATOM 357 O GLU A 22 40.422 40.127 31.275 1.00 0.00 O ATOM 358 CB GLU A 22 37.732 40.863 32.481 1.00 0.00 C ATOM 359 CG GLU A 22 36.200 40.783 32.427 1.00 0.00 C ATOM 360 CD GLU A 22 35.628 42.193 32.268 1.00 0.00 C ATOM 361 OE1 GLU A 22 35.443 42.870 33.304 1.00 0.00 O ATOM 362 OE2 GLU A 22 35.452 42.669 31.120 1.00 0.00 O ATOM 0 H GLU A 22 37.547 39.185 34.325 1.00 0.00 H new ATOM 0 HA GLU A 22 38.081 38.966 31.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 38.029 41.386 33.390 1.00 0.00 H new ATOM 0 HB3 GLU A 22 38.087 41.459 31.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 35.886 40.154 31.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 35.816 40.322 33.337 1.00 0.00 H new ATOM 369 N LEU A 23 40.729 39.139 33.266 1.00 0.00 N ATOM 370 CA LEU A 23 42.190 39.288 33.336 1.00 0.00 C ATOM 371 C LEU A 23 42.979 37.984 33.075 1.00 0.00 C ATOM 372 O LEU A 23 44.207 37.993 33.203 1.00 0.00 O ATOM 373 CB LEU A 23 42.552 39.926 34.699 1.00 0.00 C ATOM 374 CG LEU A 23 42.386 41.456 34.833 1.00 0.00 C ATOM 375 CD1 LEU A 23 43.373 42.222 33.952 1.00 0.00 C ATOM 376 CD2 LEU A 23 40.975 41.974 34.537 1.00 0.00 C ATOM 0 H LEU A 23 40.348 38.623 34.059 1.00 0.00 H new ATOM 0 HA LEU A 23 42.497 39.942 32.520 1.00 0.00 H new ATOM 0 HB2 LEU A 23 41.940 39.452 35.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.590 39.679 34.922 1.00 0.00 H new ATOM 0 HG LEU A 23 42.593 41.642 35.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 43.219 43.293 34.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 44.393 41.965 34.240 1.00 0.00 H new ATOM 0 HD13 LEU A 23 43.212 41.954 32.908 1.00 0.00 H new ATOM 0 HD21 LEU A 23 40.953 43.057 34.656 1.00 0.00 H new ATOM 0 HD22 LEU A 23 40.700 41.715 33.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 40.267 41.518 35.230 1.00 0.00 H new ATOM 388 N LYS A 24 42.325 36.859 32.735 1.00 0.00 N ATOM 389 CA LYS A 24 42.985 35.546 32.531 1.00 0.00 C ATOM 390 C LYS A 24 42.400 34.789 31.333 1.00 0.00 C ATOM 391 O LYS A 24 41.282 34.285 31.403 1.00 0.00 O ATOM 392 CB LYS A 24 42.887 34.673 33.805 1.00 0.00 C ATOM 393 CG LYS A 24 43.550 35.255 35.066 1.00 0.00 C ATOM 394 CD LYS A 24 45.081 35.329 34.970 1.00 0.00 C ATOM 395 CE LYS A 24 45.626 36.169 36.129 1.00 0.00 C ATOM 396 NZ LYS A 24 47.074 36.430 35.986 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.316 36.830 32.592 1.00 0.00 H new ATOM 0 HA LYS A 24 44.035 35.750 32.319 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.834 34.494 34.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 43.338 33.703 33.594 1.00 0.00 H new ATOM 0 HG2 LYS A 24 43.156 36.255 35.246 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.276 34.644 35.926 1.00 0.00 H new ATOM 0 HD2 LYS A 24 45.507 34.326 35.002 1.00 0.00 H new ATOM 0 HD3 LYS A 24 45.375 35.770 34.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 45.089 37.116 36.175 1.00 0.00 H new ATOM 0 HE3 LYS A 24 45.441 35.652 37.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 47.405 37.001 36.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 47.589 35.527 35.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 47.248 36.946 35.100 1.00 0.00 H new ATOM 410 N SER A 25 43.179 34.666 30.256 1.00 0.00 N ATOM 411 CA SER A 25 42.764 33.951 29.039 1.00 0.00 C ATOM 412 C SER A 25 43.235 32.489 29.024 1.00 0.00 C ATOM 413 O SER A 25 44.434 32.204 29.126 1.00 0.00 O ATOM 414 CB SER A 25 43.244 34.670 27.779 1.00 0.00 C ATOM 415 OG SER A 25 42.649 35.941 27.614 1.00 0.00 O ATOM 0 H SER A 25 44.118 35.059 30.200 1.00 0.00 H new ATOM 0 HA SER A 25 41.674 33.945 29.048 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.327 34.784 27.821 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.022 34.054 26.908 1.00 0.00 H new ATOM 0 HG SER A 25 42.991 36.358 26.796 1.00 0.00 H new ATOM 421 N PHE A 26 42.283 31.571 28.893 1.00 0.00 N ATOM 422 CA PHE A 26 42.607 30.151 28.896 1.00 0.00 C ATOM 423 C PHE A 26 42.869 29.637 27.488 1.00 0.00 C ATOM 424 O PHE A 26 42.015 29.712 26.605 1.00 0.00 O ATOM 425 CB PHE A 26 41.473 29.348 29.538 1.00 0.00 C ATOM 426 CG PHE A 26 41.928 28.436 30.641 1.00 0.00 C ATOM 427 CD1 PHE A 26 43.208 28.539 31.160 1.00 0.00 C ATOM 428 CD2 PHE A 26 41.077 27.473 31.158 1.00 0.00 C ATOM 429 CE1 PHE A 26 43.630 27.701 32.174 1.00 0.00 C ATOM 430 CE2 PHE A 26 41.493 26.632 32.172 1.00 0.00 C ATOM 431 CZ PHE A 26 42.772 26.746 32.681 1.00 0.00 C ATOM 0 H PHE A 26 41.291 31.783 28.785 1.00 0.00 H new ATOM 0 HA PHE A 26 43.518 30.021 29.481 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.729 30.039 29.934 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.979 28.755 28.769 1.00 0.00 H new ATOM 0 HD1 PHE A 26 43.885 29.284 30.767 1.00 0.00 H new ATOM 0 HD2 PHE A 26 40.076 27.378 30.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 44.631 27.793 32.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 40.819 25.886 32.566 1.00 0.00 H new ATOM 0 HZ PHE A 26 43.100 26.090 33.474 1.00 0.00 H new ATOM 441 N THR A 27 44.074 29.112 27.302 1.00 0.00 N ATOM 442 CA THR A 27 44.494 28.571 25.999 1.00 0.00 C ATOM 443 C THR A 27 43.948 27.160 25.738 1.00 0.00 C ATOM 444 O THR A 27 43.779 26.345 26.647 1.00 0.00 O ATOM 445 CB THR A 27 46.023 28.585 25.836 1.00 0.00 C ATOM 446 OG1 THR A 27 46.677 28.108 26.987 1.00 0.00 O ATOM 447 CG2 THR A 27 46.557 29.978 25.515 1.00 0.00 C ATOM 0 H THR A 27 44.783 29.046 28.032 1.00 0.00 H new ATOM 0 HA THR A 27 44.061 29.236 25.252 1.00 0.00 H new ATOM 0 HB THR A 27 46.234 27.921 24.997 1.00 0.00 H new ATOM 0 HG1 THR A 27 47.646 28.130 26.845 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.641 29.937 25.409 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.115 30.331 24.584 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.297 30.662 26.323 1.00 0.00 H new ATOM 455 N TYR A 28 43.697 26.843 24.460 1.00 0.00 N ATOM 456 CA TYR A 28 43.068 25.579 24.048 1.00 0.00 C ATOM 457 C TYR A 28 43.828 24.312 24.494 1.00 0.00 C ATOM 458 O TYR A 28 43.188 23.304 24.776 1.00 0.00 O ATOM 459 CB TYR A 28 42.863 25.561 22.531 1.00 0.00 C ATOM 460 CG TYR A 28 41.970 26.653 21.965 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.636 26.702 22.337 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.498 27.573 21.078 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.809 27.676 21.807 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.667 28.552 20.544 1.00 0.00 C ATOM 465 CZ TYR A 28 40.318 28.591 20.901 1.00 0.00 C ATOM 466 OH TYR A 28 39.463 29.527 20.355 1.00 0.00 O ATOM 0 H TYR A 28 43.925 27.458 23.679 1.00 0.00 H new ATOM 0 HA TYR A 28 42.108 25.546 24.563 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.839 25.633 22.052 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.442 24.595 22.253 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.243 25.981 23.039 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.542 27.532 20.804 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.770 27.723 22.099 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.065 29.281 19.854 1.00 0.00 H new ATOM 0 HH TYR A 28 39.620 30.398 20.776 1.00 0.00 H new ATOM 476 N THR A 29 45.162 24.369 24.624 1.00 0.00 N ATOM 477 CA THR A 29 45.992 23.268 25.161 1.00 0.00 C ATOM 478 C THR A 29 45.525 22.820 26.554 1.00 0.00 C ATOM 479 O THR A 29 45.345 21.625 26.793 1.00 0.00 O ATOM 480 CB THR A 29 47.493 23.645 25.160 1.00 0.00 C ATOM 481 OG1 THR A 29 48.274 22.524 25.478 1.00 0.00 O ATOM 482 CG2 THR A 29 47.894 24.730 26.166 1.00 0.00 C ATOM 0 H THR A 29 45.706 25.189 24.357 1.00 0.00 H new ATOM 0 HA THR A 29 45.863 22.415 24.495 1.00 0.00 H new ATOM 0 HB THR A 29 47.666 24.027 24.154 1.00 0.00 H new ATOM 0 HG1 THR A 29 49.222 22.773 25.473 1.00 0.00 H new ATOM 0 HG21 THR A 29 48.964 24.922 26.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 47.344 25.646 25.951 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.659 24.394 27.176 1.00 0.00 H new ATOM 490 N LYS A 30 45.218 23.774 27.445 1.00 0.00 N ATOM 491 CA LYS A 30 44.715 23.512 28.800 1.00 0.00 C ATOM 492 C LYS A 30 43.240 23.100 28.796 1.00 0.00 C ATOM 493 O LYS A 30 42.866 22.168 29.504 1.00 0.00 O ATOM 494 CB LYS A 30 44.983 24.763 29.655 1.00 0.00 C ATOM 495 CG LYS A 30 44.574 24.652 31.131 1.00 0.00 C ATOM 496 CD LYS A 30 45.152 23.426 31.855 1.00 0.00 C ATOM 497 CE LYS A 30 45.120 23.632 33.374 1.00 0.00 C ATOM 498 NZ LYS A 30 46.357 24.284 33.859 1.00 0.00 N1+ ATOM 0 H LYS A 30 45.315 24.768 27.239 1.00 0.00 H new ATOM 0 HA LYS A 30 45.241 22.662 29.235 1.00 0.00 H new ATOM 0 HB2 LYS A 30 46.047 24.994 29.607 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.453 25.606 29.211 1.00 0.00 H new ATOM 0 HG2 LYS A 30 44.895 25.553 31.654 1.00 0.00 H new ATOM 0 HG3 LYS A 30 43.486 24.617 31.193 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.579 22.537 31.591 1.00 0.00 H new ATOM 0 HD3 LYS A 30 46.177 23.253 31.527 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.257 24.242 33.641 1.00 0.00 H new ATOM 0 HE3 LYS A 30 44.996 22.669 33.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 46.303 24.408 34.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 47.178 23.689 33.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 46.461 25.213 33.403 1.00 0.00 H new ATOM 512 N LEU A 31 42.414 23.747 27.967 1.00 0.00 N ATOM 513 CA LEU A 31 40.991 23.403 27.811 1.00 0.00 C ATOM 514 C LEU A 31 40.765 21.968 27.298 1.00 0.00 C ATOM 515 O LEU A 31 39.783 21.343 27.693 1.00 0.00 O ATOM 516 CB LEU A 31 40.322 24.406 26.853 1.00 0.00 C ATOM 517 CG LEU A 31 39.951 25.769 27.468 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.748 26.803 26.359 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.639 25.661 28.252 1.00 0.00 C ATOM 0 H LEU A 31 42.712 24.527 27.382 1.00 0.00 H new ATOM 0 HA LEU A 31 40.541 23.457 28.802 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.992 24.578 26.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 39.417 23.950 26.453 1.00 0.00 H new ATOM 0 HG LEU A 31 40.761 26.071 28.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.486 27.764 26.801 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.669 26.907 25.785 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.944 26.476 25.699 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.390 26.632 28.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.840 25.345 27.582 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.752 24.930 29.052 1.00 0.00 H new ATOM 531 N CYS A 32 41.650 21.440 26.442 1.00 0.00 N ATOM 532 CA CYS A 32 41.541 20.109 25.830 1.00 0.00 C ATOM 533 C CYS A 32 41.430 18.985 26.881 1.00 0.00 C ATOM 534 O CYS A 32 40.385 18.346 27.021 1.00 0.00 O ATOM 535 CB CYS A 32 42.754 19.946 24.892 1.00 0.00 C ATOM 536 SG CYS A 32 42.680 18.404 23.940 1.00 0.00 S ATOM 0 H CYS A 32 42.487 21.943 26.147 1.00 0.00 H new ATOM 0 HA CYS A 32 40.618 20.025 25.257 1.00 0.00 H new ATOM 0 HB2 CYS A 32 42.798 20.793 24.207 1.00 0.00 H new ATOM 0 HB3 CYS A 32 43.671 19.964 25.480 1.00 0.00 H new ATOM 0 HG CYS A 32 41.438 18.090 23.719 1.00 0.00 H new ATOM 542 N ASN A 33 42.486 18.793 27.678 1.00 0.00 N ATOM 543 CA ASN A 33 42.612 17.675 28.613 1.00 0.00 C ATOM 544 C ASN A 33 41.600 17.749 29.772 1.00 0.00 C ATOM 545 O ASN A 33 41.012 16.727 30.145 1.00 0.00 O ATOM 546 CB ASN A 33 44.073 17.617 29.106 1.00 0.00 C ATOM 547 CG ASN A 33 45.056 17.245 28.005 1.00 0.00 C ATOM 548 OD1 ASN A 33 45.049 17.799 26.917 1.00 0.00 O ATOM 549 ND2 ASN A 33 45.928 16.293 28.234 1.00 0.00 N ATOM 0 H ASN A 33 43.289 19.421 27.690 1.00 0.00 H new ATOM 0 HA ASN A 33 42.368 16.748 28.095 1.00 0.00 H new ATOM 0 HB2 ASN A 33 44.350 18.586 29.521 1.00 0.00 H new ATOM 0 HB3 ASN A 33 44.149 16.890 29.915 1.00 0.00 H new ATOM 0 HD21 ASN A 33 46.591 16.023 27.507 1.00 0.00 H new ATOM 0 HD22 ASN A 33 45.944 15.823 29.139 1.00 0.00 H new ATOM 556 N ILE A 34 41.306 18.951 30.294 1.00 0.00 N ATOM 557 CA ILE A 34 40.263 19.108 31.320 1.00 0.00 C ATOM 558 C ILE A 34 38.874 18.752 30.767 1.00 0.00 C ATOM 559 O ILE A 34 38.114 18.101 31.478 1.00 0.00 O ATOM 560 CB ILE A 34 40.293 20.499 31.996 1.00 0.00 C ATOM 561 CG1 ILE A 34 39.792 21.623 31.069 1.00 0.00 C ATOM 562 CG2 ILE A 34 41.693 20.785 32.566 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.870 23.026 31.674 1.00 0.00 C ATOM 0 H ILE A 34 41.770 19.819 30.026 1.00 0.00 H new ATOM 0 HA ILE A 34 40.487 18.392 32.111 1.00 0.00 H new ATOM 0 HB ILE A 34 39.589 20.479 32.828 1.00 0.00 H new ATOM 0 HG12 ILE A 34 40.376 21.605 30.149 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.758 21.416 30.795 1.00 0.00 H new ATOM 0 HG21 ILE A 34 41.700 21.767 33.039 1.00 0.00 H new ATOM 0 HG22 ILE A 34 41.947 20.025 33.305 1.00 0.00 H new ATOM 0 HG23 ILE A 34 42.425 20.766 31.759 1.00 0.00 H new ATOM 0 HD11 ILE A 34 39.498 23.754 30.953 1.00 0.00 H new ATOM 0 HD12 ILE A 34 39.262 23.067 32.578 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.906 23.258 31.922 1.00 0.00 H new ATOM 575 N SER A 35 38.582 19.068 29.497 1.00 0.00 N ATOM 576 CA SER A 35 37.294 18.789 28.840 1.00 0.00 C ATOM 577 C SER A 35 37.162 17.368 28.262 1.00 0.00 C ATOM 578 O SER A 35 36.059 16.972 27.881 1.00 0.00 O ATOM 579 CB SER A 35 37.030 19.803 27.720 1.00 0.00 C ATOM 580 OG SER A 35 37.165 21.137 28.161 1.00 0.00 O ATOM 0 H SER A 35 39.249 19.535 28.883 1.00 0.00 H new ATOM 0 HA SER A 35 36.552 18.876 29.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 37.724 19.622 26.899 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.025 19.653 27.327 1.00 0.00 H new ATOM 0 HG SER A 35 38.115 21.372 28.205 1.00 0.00 H new ATOM 586 N LYS A 36 38.263 16.596 28.211 1.00 0.00 N ATOM 587 CA LYS A 36 38.365 15.228 27.656 1.00 0.00 C ATOM 588 C LYS A 36 38.096 15.078 26.152 1.00 0.00 C ATOM 589 O LYS A 36 37.758 13.982 25.699 1.00 0.00 O ATOM 590 CB LYS A 36 37.529 14.244 28.497 1.00 0.00 C ATOM 591 CG LYS A 36 38.083 14.106 29.923 1.00 0.00 C ATOM 592 CD LYS A 36 37.254 13.128 30.765 1.00 0.00 C ATOM 593 CE LYS A 36 37.801 13.050 32.192 1.00 0.00 C ATOM 594 NZ LYS A 36 39.185 12.520 32.246 1.00 0.00 N1+ ATOM 0 H LYS A 36 39.157 16.926 28.576 1.00 0.00 H new ATOM 0 HA LYS A 36 39.422 14.975 27.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 36.495 14.588 28.539 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.521 13.267 28.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.116 13.762 29.880 1.00 0.00 H new ATOM 0 HG3 LYS A 36 38.092 15.083 30.405 1.00 0.00 H new ATOM 0 HD2 LYS A 36 36.213 13.449 30.786 1.00 0.00 H new ATOM 0 HD3 LYS A 36 37.273 12.139 30.308 1.00 0.00 H new ATOM 0 HE2 LYS A 36 37.779 14.043 32.640 1.00 0.00 H new ATOM 0 HE3 LYS A 36 37.149 12.415 32.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.445 12.329 33.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 39.241 11.639 31.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 39.841 13.220 31.845 1.00 0.00 H new ATOM 608 N LEU A 37 38.244 16.149 25.375 1.00 0.00 N ATOM 609 CA LEU A 37 37.792 16.209 23.992 1.00 0.00 C ATOM 610 C LEU A 37 38.778 16.928 23.070 1.00 0.00 C ATOM 611 O LEU A 37 39.527 17.804 23.493 1.00 0.00 O ATOM 612 CB LEU A 37 36.371 16.800 23.972 1.00 0.00 C ATOM 613 CG LEU A 37 36.158 18.178 24.636 1.00 0.00 C ATOM 614 CD1 LEU A 37 36.553 19.391 23.796 1.00 0.00 C ATOM 615 CD2 LEU A 37 34.682 18.387 24.971 1.00 0.00 C ATOM 0 H LEU A 37 38.688 17.010 25.695 1.00 0.00 H new ATOM 0 HA LEU A 37 37.753 15.201 23.578 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.054 16.876 22.932 1.00 0.00 H new ATOM 0 HB3 LEU A 37 35.704 16.087 24.457 1.00 0.00 H new ATOM 0 HG LEU A 37 36.811 18.134 25.508 1.00 0.00 H new ATOM 0 HD11 LEU A 37 36.361 20.303 24.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.613 19.333 23.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.967 19.403 22.877 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.550 19.363 25.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 34.091 18.339 24.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 34.351 17.608 25.658 1.00 0.00 H new ATOM 627 N SER A 38 38.729 16.547 21.795 1.00 0.00 N ATOM 628 CA SER A 38 39.578 17.028 20.708 1.00 0.00 C ATOM 629 C SER A 38 39.602 18.560 20.622 1.00 0.00 C ATOM 630 O SER A 38 38.560 19.211 20.749 1.00 0.00 O ATOM 631 CB SER A 38 39.040 16.448 19.390 1.00 0.00 C ATOM 632 OG SER A 38 38.748 15.062 19.513 1.00 0.00 O ATOM 0 H SER A 38 38.055 15.852 21.474 1.00 0.00 H new ATOM 0 HA SER A 38 40.601 16.702 20.897 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.139 16.986 19.095 1.00 0.00 H new ATOM 0 HB3 SER A 38 39.774 16.598 18.598 1.00 0.00 H new ATOM 0 HG SER A 38 38.406 14.723 18.659 1.00 0.00 H new ATOM 638 N MET A 39 40.763 19.165 20.329 1.00 0.00 N ATOM 639 CA MET A 39 40.856 20.629 20.208 1.00 0.00 C ATOM 640 C MET A 39 39.966 21.187 19.078 1.00 0.00 C ATOM 641 O MET A 39 39.424 22.286 19.205 1.00 0.00 O ATOM 642 CB MET A 39 42.315 21.105 20.093 1.00 0.00 C ATOM 643 CG MET A 39 43.067 20.686 18.820 1.00 0.00 C ATOM 644 SD MET A 39 43.632 18.962 18.758 1.00 0.00 S ATOM 645 CE MET A 39 44.942 18.997 20.019 1.00 0.00 C ATOM 0 H MET A 39 41.641 18.671 20.173 1.00 0.00 H new ATOM 0 HA MET A 39 40.462 21.043 21.136 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.326 22.193 20.155 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.866 20.731 20.956 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.418 20.865 17.963 1.00 0.00 H new ATOM 0 HG3 MET A 39 43.934 21.336 18.704 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.542 18.090 19.946 1.00 0.00 H new ATOM 0 HE2 MET A 39 45.578 19.867 19.858 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.492 19.055 21.010 1.00 0.00 H new ATOM 655 N SER A 40 39.724 20.396 18.026 1.00 0.00 N ATOM 656 CA SER A 40 38.744 20.660 16.963 1.00 0.00 C ATOM 657 C SER A 40 37.305 20.827 17.484 1.00 0.00 C ATOM 658 O SER A 40 36.531 21.594 16.905 1.00 0.00 O ATOM 659 CB SER A 40 38.793 19.493 15.966 1.00 0.00 C ATOM 660 OG SER A 40 38.614 18.265 16.653 1.00 0.00 O ATOM 0 H SER A 40 40.225 19.519 17.885 1.00 0.00 H new ATOM 0 HA SER A 40 39.013 21.606 16.493 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.016 19.615 15.212 1.00 0.00 H new ATOM 0 HB3 SER A 40 39.749 19.491 15.442 1.00 0.00 H new ATOM 0 HG SER A 40 38.644 17.524 16.012 1.00 0.00 H new ATOM 666 N THR A 41 36.941 20.169 18.590 1.00 0.00 N ATOM 667 CA THR A 41 35.628 20.297 19.238 1.00 0.00 C ATOM 668 C THR A 41 35.523 21.603 20.032 1.00 0.00 C ATOM 669 O THR A 41 34.596 22.380 19.809 1.00 0.00 O ATOM 670 CB THR A 41 35.292 19.050 20.086 1.00 0.00 C ATOM 671 OG1 THR A 41 35.301 17.929 19.236 1.00 0.00 O ATOM 672 CG2 THR A 41 33.892 19.113 20.697 1.00 0.00 C ATOM 0 H THR A 41 37.563 19.519 19.071 1.00 0.00 H new ATOM 0 HA THR A 41 34.870 20.349 18.456 1.00 0.00 H new ATOM 0 HB THR A 41 36.028 18.995 20.888 1.00 0.00 H new ATOM 0 HG1 THR A 41 35.092 17.124 19.754 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.709 18.212 21.282 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.816 19.987 21.344 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.151 19.185 19.901 1.00 0.00 H new ATOM 680 N VAL A 42 36.488 21.924 20.904 1.00 0.00 N ATOM 681 CA VAL A 42 36.430 23.158 21.726 1.00 0.00 C ATOM 682 C VAL A 42 36.628 24.453 20.922 1.00 0.00 C ATOM 683 O VAL A 42 36.077 25.497 21.273 1.00 0.00 O ATOM 684 CB VAL A 42 37.390 23.061 22.922 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.861 23.199 22.532 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.069 24.099 24.003 1.00 0.00 C ATOM 0 H VAL A 42 37.319 21.354 21.064 1.00 0.00 H new ATOM 0 HA VAL A 42 35.412 23.225 22.110 1.00 0.00 H new ATOM 0 HB VAL A 42 37.235 22.058 23.318 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.483 23.121 23.424 1.00 0.00 H new ATOM 0 HG12 VAL A 42 39.128 22.406 21.833 1.00 0.00 H new ATOM 0 HG13 VAL A 42 39.023 24.168 22.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.772 23.994 24.829 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.152 25.101 23.581 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.054 23.942 24.368 1.00 0.00 H new ATOM 696 N ARG A 43 37.346 24.384 19.792 1.00 0.00 N ATOM 697 CA ARG A 43 37.432 25.476 18.797 1.00 0.00 C ATOM 698 C ARG A 43 36.046 25.929 18.300 1.00 0.00 C ATOM 699 O ARG A 43 35.862 27.118 18.046 1.00 0.00 O ATOM 700 CB ARG A 43 38.303 25.031 17.603 1.00 0.00 C ATOM 701 CG ARG A 43 39.826 25.067 17.849 1.00 0.00 C ATOM 702 CD ARG A 43 40.457 26.440 17.567 1.00 0.00 C ATOM 703 NE ARG A 43 41.933 26.370 17.607 1.00 0.00 N ATOM 704 CZ ARG A 43 42.777 27.376 17.448 1.00 0.00 C ATOM 705 NH1 ARG A 43 42.333 28.578 17.233 1.00 0.00 N ATOM 706 NH2 ARG A 43 44.058 27.168 17.497 1.00 0.00 N ATOM 0 H ARG A 43 37.892 23.561 19.535 1.00 0.00 H new ATOM 0 HA ARG A 43 37.892 26.331 19.292 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.020 24.015 17.327 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.074 25.669 16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 43 40.026 24.789 18.884 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.306 24.318 17.219 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.134 26.797 16.589 1.00 0.00 H new ATOM 0 HD3 ARG A 43 40.105 27.163 18.303 1.00 0.00 H new ATOM 0 HE ARG A 43 42.343 25.451 17.774 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.329 28.750 17.186 1.00 0.00 H new ATOM 0 HH12 ARG A 43 42.989 29.350 17.111 1.00 0.00 H new ATOM 0 HH21 ARG A 43 44.416 26.227 17.658 1.00 0.00 H new ATOM 0 HH22 ARG A 43 44.706 27.946 17.374 1.00 0.00 H new ATOM 720 N ARG A 44 35.067 25.018 18.197 1.00 0.00 N ATOM 721 CA ARG A 44 33.685 25.315 17.761 1.00 0.00 C ATOM 722 C ARG A 44 32.880 26.054 18.830 1.00 0.00 C ATOM 723 O ARG A 44 32.318 27.109 18.544 1.00 0.00 O ATOM 724 CB ARG A 44 32.954 24.019 17.370 1.00 0.00 C ATOM 725 CG ARG A 44 33.524 23.337 16.118 1.00 0.00 C ATOM 726 CD ARG A 44 33.051 21.877 16.063 1.00 0.00 C ATOM 727 NE ARG A 44 33.081 21.325 14.699 1.00 0.00 N ATOM 728 CZ ARG A 44 34.132 21.030 13.961 1.00 0.00 C ATOM 729 NH1 ARG A 44 35.332 21.209 14.427 1.00 0.00 N ATOM 730 NH2 ARG A 44 33.977 20.564 12.760 1.00 0.00 N ATOM 0 H ARG A 44 35.212 24.033 18.418 1.00 0.00 H new ATOM 0 HA ARG A 44 33.764 25.971 16.894 1.00 0.00 H new ATOM 0 HB2 ARG A 44 33.001 23.321 18.206 1.00 0.00 H new ATOM 0 HB3 ARG A 44 31.901 24.244 17.202 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.200 23.868 15.223 1.00 0.00 H new ATOM 0 HG3 ARG A 44 34.613 23.376 16.135 1.00 0.00 H new ATOM 0 HD2 ARG A 44 33.683 21.269 16.711 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.036 21.812 16.455 1.00 0.00 H new ATOM 0 HE ARG A 44 32.172 21.148 14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.464 21.579 15.368 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.142 20.979 13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.039 20.425 12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 44 34.793 20.337 12.192 1.00 0.00 H new ATOM 744 N SER A 45 32.845 25.537 20.059 1.00 0.00 N ATOM 745 CA SER A 45 32.021 26.113 21.132 1.00 0.00 C ATOM 746 C SER A 45 32.494 27.516 21.522 1.00 0.00 C ATOM 747 O SER A 45 31.683 28.435 21.579 1.00 0.00 O ATOM 748 CB SER A 45 31.967 25.173 22.338 1.00 0.00 C ATOM 749 OG SER A 45 33.261 24.927 22.860 1.00 0.00 O ATOM 0 H SER A 45 33.380 24.715 20.341 1.00 0.00 H new ATOM 0 HA SER A 45 31.006 26.222 20.751 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.337 25.609 23.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.506 24.230 22.046 1.00 0.00 H new ATOM 0 HG SER A 45 33.287 24.034 23.262 1.00 0.00 H new ATOM 755 N ILE A 46 33.806 27.746 21.655 1.00 0.00 N ATOM 756 CA ILE A 46 34.373 29.101 21.840 1.00 0.00 C ATOM 757 C ILE A 46 34.011 30.068 20.694 1.00 0.00 C ATOM 758 O ILE A 46 33.740 31.235 20.972 1.00 0.00 O ATOM 759 CB ILE A 46 35.897 29.000 22.120 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.146 28.104 23.359 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.642 30.337 22.270 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.945 28.766 24.724 1.00 0.00 C ATOM 0 H ILE A 46 34.508 27.006 21.638 1.00 0.00 H new ATOM 0 HA ILE A 46 33.909 29.552 22.717 1.00 0.00 H new ATOM 0 HB ILE A 46 36.319 28.553 21.220 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.483 27.241 23.296 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.167 27.726 23.309 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.698 30.146 22.463 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.540 30.915 21.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.217 30.899 23.102 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.148 28.042 25.513 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.627 29.611 24.823 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.917 29.118 24.810 1.00 0.00 H new ATOM 774 N LYS A 47 33.917 29.613 19.432 1.00 0.00 N ATOM 775 CA LYS A 47 33.443 30.460 18.316 1.00 0.00 C ATOM 776 C LYS A 47 31.955 30.809 18.445 1.00 0.00 C ATOM 777 O LYS A 47 31.579 31.958 18.219 1.00 0.00 O ATOM 778 CB LYS A 47 33.714 29.791 16.956 1.00 0.00 C ATOM 779 CG LYS A 47 35.123 30.059 16.402 1.00 0.00 C ATOM 780 CD LYS A 47 35.244 29.416 15.011 1.00 0.00 C ATOM 781 CE LYS A 47 36.451 29.901 14.202 1.00 0.00 C ATOM 782 NZ LYS A 47 37.701 29.195 14.552 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.163 28.662 19.156 1.00 0.00 H new ATOM 0 HA LYS A 47 34.008 31.390 18.369 1.00 0.00 H new ATOM 0 HB2 LYS A 47 33.572 28.715 17.056 1.00 0.00 H new ATOM 0 HB3 LYS A 47 32.977 30.144 16.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.305 31.132 16.338 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.876 29.648 17.074 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.308 28.334 15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 47 34.335 29.623 14.446 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.248 29.765 13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.586 30.970 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 38.482 29.565 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 37.914 29.345 15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 37.587 28.177 14.370 1.00 0.00 H new ATOM 796 N LYS A 48 31.115 29.854 18.861 1.00 0.00 N ATOM 797 CA LYS A 48 29.697 30.094 19.188 1.00 0.00 C ATOM 798 C LYS A 48 29.520 31.004 20.407 1.00 0.00 C ATOM 799 O LYS A 48 28.639 31.855 20.409 1.00 0.00 O ATOM 800 CB LYS A 48 28.983 28.745 19.378 1.00 0.00 C ATOM 801 CG LYS A 48 28.545 28.145 18.037 1.00 0.00 C ATOM 802 CD LYS A 48 27.713 26.875 18.269 1.00 0.00 C ATOM 803 CE LYS A 48 27.156 26.308 16.961 1.00 0.00 C ATOM 804 NZ LYS A 48 26.069 27.147 16.405 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.399 28.882 18.983 1.00 0.00 H new ATOM 0 HA LYS A 48 29.241 30.627 18.354 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.649 28.049 19.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.112 28.881 20.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.959 28.875 17.478 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.421 27.909 17.433 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.331 26.121 18.757 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.889 27.100 18.947 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.961 26.228 16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.781 25.299 17.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.688 26.698 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.311 27.245 17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.444 28.087 16.166 1.00 0.00 H new ATOM 818 N PHE A 49 30.383 30.922 21.417 1.00 0.00 N ATOM 819 CA PHE A 49 30.318 31.795 22.597 1.00 0.00 C ATOM 820 C PHE A 49 30.697 33.259 22.328 1.00 0.00 C ATOM 821 O PHE A 49 30.350 34.116 23.142 1.00 0.00 O ATOM 822 CB PHE A 49 31.126 31.183 23.748 1.00 0.00 C ATOM 823 CG PHE A 49 30.687 29.805 24.220 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.353 29.375 24.067 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.623 28.949 24.835 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.960 28.106 24.511 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.232 27.667 25.268 1.00 0.00 C ATOM 828 CZ PHE A 49 29.901 27.250 25.096 1.00 0.00 C ATOM 0 H PHE A 49 31.149 30.249 21.445 1.00 0.00 H new ATOM 0 HA PHE A 49 29.269 31.846 22.889 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.170 31.123 23.439 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.083 31.865 24.597 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.629 30.029 23.604 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.642 29.277 24.975 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.933 27.789 24.402 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.952 27.008 25.730 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.602 26.263 25.417 1.00 0.00 H new ATOM 838 N LEU A 50 31.320 33.573 21.184 1.00 0.00 N ATOM 839 CA LEU A 50 31.381 34.949 20.677 1.00 0.00 C ATOM 840 C LEU A 50 29.996 35.464 20.267 1.00 0.00 C ATOM 841 O LEU A 50 29.668 36.609 20.561 1.00 0.00 O ATOM 842 CB LEU A 50 32.337 35.061 19.484 1.00 0.00 C ATOM 843 CG LEU A 50 33.806 34.765 19.834 1.00 0.00 C ATOM 844 CD1 LEU A 50 34.615 34.703 18.544 1.00 0.00 C ATOM 845 CD2 LEU A 50 34.428 35.843 20.726 1.00 0.00 C ATOM 0 H LEU A 50 31.790 32.889 20.591 1.00 0.00 H new ATOM 0 HA LEU A 50 31.756 35.566 21.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.013 34.371 18.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.268 36.066 19.068 1.00 0.00 H new ATOM 0 HG LEU A 50 33.825 33.820 20.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 35.659 34.494 18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.221 33.913 17.905 1.00 0.00 H new ATOM 0 HD13 LEU A 50 34.545 35.658 18.024 1.00 0.00 H new ATOM 0 HD21 LEU A 50 35.464 35.583 20.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 34.394 36.804 20.213 1.00 0.00 H new ATOM 0 HD23 LEU A 50 33.869 35.910 21.659 1.00 0.00 H new ATOM 857 N GLU A 51 29.157 34.629 19.642 1.00 0.00 N ATOM 858 CA GLU A 51 27.776 35.001 19.300 1.00 0.00 C ATOM 859 C GLU A 51 26.918 35.202 20.556 1.00 0.00 C ATOM 860 O GLU A 51 26.071 36.091 20.593 1.00 0.00 O ATOM 861 CB GLU A 51 27.091 33.939 18.423 1.00 0.00 C ATOM 862 CG GLU A 51 27.711 33.757 17.029 1.00 0.00 C ATOM 863 CD GLU A 51 27.705 35.068 16.237 1.00 0.00 C ATOM 864 OE1 GLU A 51 26.705 35.819 16.306 1.00 0.00 O ATOM 865 OE2 GLU A 51 28.681 35.320 15.492 1.00 0.00 O ATOM 0 H GLU A 51 29.412 33.683 19.360 1.00 0.00 H new ATOM 0 HA GLU A 51 27.851 35.937 18.746 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.120 32.983 18.946 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.041 34.207 18.306 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.735 33.396 17.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.157 32.996 16.480 1.00 0.00 H new ATOM 872 N LEU A 52 27.161 34.399 21.596 1.00 0.00 N ATOM 873 CA LEU A 52 26.525 34.553 22.913 1.00 0.00 C ATOM 874 C LEU A 52 27.117 35.708 23.743 1.00 0.00 C ATOM 875 O LEU A 52 26.585 36.054 24.793 1.00 0.00 O ATOM 876 CB LEU A 52 26.591 33.234 23.696 1.00 0.00 C ATOM 877 CG LEU A 52 26.070 31.982 22.956 1.00 0.00 C ATOM 878 CD1 LEU A 52 25.815 30.856 23.953 1.00 0.00 C ATOM 879 CD2 LEU A 52 24.750 32.197 22.206 1.00 0.00 C ATOM 0 H LEU A 52 27.811 33.615 21.549 1.00 0.00 H new ATOM 0 HA LEU A 52 25.483 34.813 22.727 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.627 33.057 23.984 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.020 33.352 24.617 1.00 0.00 H new ATOM 0 HG LEU A 52 26.848 31.743 22.231 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.448 29.977 23.423 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.744 30.608 24.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.071 31.177 24.682 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.455 31.270 21.715 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.975 32.496 22.912 1.00 0.00 H new ATOM 0 HD23 LEU A 52 24.880 32.979 21.458 1.00 0.00 H new ATOM 891 N GLN A 53 28.292 36.207 23.369 1.00 0.00 N ATOM 892 CA GLN A 53 28.913 37.326 24.094 1.00 0.00 C ATOM 893 C GLN A 53 29.461 36.923 25.471 1.00 0.00 C ATOM 894 O GLN A 53 29.824 37.773 26.286 1.00 0.00 O ATOM 895 CB GLN A 53 27.908 38.469 24.257 1.00 0.00 C ATOM 896 CG GLN A 53 27.241 38.901 22.961 1.00 0.00 C ATOM 897 CD GLN A 53 26.287 40.065 23.150 1.00 0.00 C ATOM 898 OE1 GLN A 53 26.483 40.825 24.222 1.00 0.00 O flip ATOM 899 NE2 GLN A 53 25.385 40.278 22.342 1.00 0.00 N flip ATOM 0 H GLN A 53 28.834 35.862 22.577 1.00 0.00 H new ATOM 0 HA GLN A 53 29.763 37.651 23.494 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.138 38.162 24.965 1.00 0.00 H new ATOM 0 HB3 GLN A 53 28.418 39.327 24.694 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.008 39.180 22.238 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.697 38.056 22.539 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.271 39.668 21.532 1.00 0.00 H new ATOM 0 HE22 GLN A 53 24.751 41.064 22.481 1.00 0.00 H new ATOM 908 N TYR A 54 29.511 35.619 25.710 1.00 0.00 N ATOM 909 CA TYR A 54 30.001 35.049 26.968 1.00 0.00 C ATOM 910 C TYR A 54 31.532 35.000 27.042 1.00 0.00 C ATOM 911 O TYR A 54 32.087 34.853 28.131 1.00 0.00 O ATOM 912 CB TYR A 54 29.404 33.646 27.152 1.00 0.00 C ATOM 913 CG TYR A 54 27.886 33.562 27.218 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.096 34.687 27.528 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.262 32.324 26.977 1.00 0.00 C ATOM 916 CE1 TYR A 54 25.697 34.579 27.590 1.00 0.00 C ATOM 917 CE2 TYR A 54 25.858 32.206 27.055 1.00 0.00 C ATOM 918 CZ TYR A 54 25.072 33.340 27.350 1.00 0.00 C ATOM 919 OH TYR A 54 23.716 33.249 27.414 1.00 0.00 O ATOM 0 H TYR A 54 29.211 34.917 25.033 1.00 0.00 H new ATOM 0 HA TYR A 54 29.678 35.702 27.778 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.746 33.018 26.329 1.00 0.00 H new ATOM 0 HB3 TYR A 54 29.810 33.219 28.069 1.00 0.00 H new ATOM 0 HD1 TYR A 54 27.569 35.639 27.719 1.00 0.00 H new ATOM 0 HD2 TYR A 54 27.861 31.460 26.731 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.099 35.448 27.822 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.386 31.249 26.889 1.00 0.00 H new ATOM 0 HH TYR A 54 23.441 32.328 27.223 1.00 0.00 H new ATOM 929 N VAL A 55 32.215 35.139 25.897 1.00 0.00 N ATOM 930 CA VAL A 55 33.681 35.152 25.813 1.00 0.00 C ATOM 931 C VAL A 55 34.209 36.343 25.002 1.00 0.00 C ATOM 932 O VAL A 55 33.528 36.919 24.145 1.00 0.00 O ATOM 933 CB VAL A 55 34.261 33.789 25.354 1.00 0.00 C ATOM 934 CG1 VAL A 55 33.721 32.633 26.201 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.035 33.496 23.870 1.00 0.00 C ATOM 0 H VAL A 55 31.758 35.247 24.992 1.00 0.00 H new ATOM 0 HA VAL A 55 34.052 35.300 26.827 1.00 0.00 H new ATOM 0 HB VAL A 55 35.338 33.872 25.503 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.149 31.694 25.850 1.00 0.00 H new ATOM 0 HG12 VAL A 55 33.993 32.789 27.245 1.00 0.00 H new ATOM 0 HG13 VAL A 55 32.635 32.592 26.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.467 32.527 23.621 1.00 0.00 H new ATOM 0 HG22 VAL A 55 32.965 33.481 23.661 1.00 0.00 H new ATOM 0 HG23 VAL A 55 34.511 34.271 23.269 1.00 0.00 H new ATOM 945 N LYS A 56 35.449 36.733 25.295 1.00 0.00 N ATOM 946 CA LYS A 56 36.222 37.777 24.610 1.00 0.00 C ATOM 947 C LYS A 56 37.593 37.250 24.219 1.00 0.00 C ATOM 948 O LYS A 56 38.097 36.297 24.808 1.00 0.00 O ATOM 949 CB LYS A 56 36.347 39.021 25.507 1.00 0.00 C ATOM 950 CG LYS A 56 35.065 39.853 25.672 1.00 0.00 C ATOM 951 CD LYS A 56 34.964 41.080 24.757 1.00 0.00 C ATOM 952 CE LYS A 56 34.170 42.247 25.348 1.00 0.00 C ATOM 953 NZ LYS A 56 34.091 43.424 24.447 1.00 0.00 N1+ ATOM 0 H LYS A 56 35.974 36.307 26.059 1.00 0.00 H new ATOM 0 HA LYS A 56 35.697 38.064 23.699 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.682 38.703 26.494 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.126 39.664 25.098 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.206 39.209 25.486 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.996 40.185 26.708 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.970 41.425 24.520 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.500 40.780 23.817 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.160 41.909 25.581 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.629 42.550 26.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.541 44.177 24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.050 43.771 24.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.627 43.150 23.558 1.00 0.00 H new ATOM 967 N GLU A 57 38.160 37.861 23.186 1.00 0.00 N ATOM 968 CA GLU A 57 39.306 37.346 22.442 1.00 0.00 C ATOM 969 C GLU A 57 40.495 38.317 22.437 1.00 0.00 C ATOM 970 O GLU A 57 40.344 39.514 22.183 1.00 0.00 O ATOM 971 CB GLU A 57 38.840 36.919 21.037 1.00 0.00 C ATOM 972 CG GLU A 57 38.444 37.988 20.005 1.00 0.00 C ATOM 973 CD GLU A 57 37.038 38.589 20.178 1.00 0.00 C ATOM 974 OE1 GLU A 57 36.338 38.269 21.169 1.00 0.00 O ATOM 975 OE2 GLU A 57 36.650 39.449 19.352 1.00 0.00 O ATOM 0 H GLU A 57 37.825 38.757 22.831 1.00 0.00 H new ATOM 0 HA GLU A 57 39.696 36.463 22.948 1.00 0.00 H new ATOM 0 HB2 GLU A 57 39.639 36.323 20.597 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.983 36.258 21.166 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.173 38.797 20.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 38.512 37.550 19.009 1.00 0.00 H new ATOM 1076 N LYS A 65 46.302 33.170 19.591 1.00 0.00 N ATOM 1077 CA LYS A 65 45.211 33.927 20.212 1.00 0.00 C ATOM 1078 C LYS A 65 44.552 33.157 21.344 1.00 0.00 C ATOM 1079 O LYS A 65 44.444 31.929 21.310 1.00 0.00 O ATOM 1080 CB LYS A 65 44.143 34.310 19.180 1.00 0.00 C ATOM 1081 CG LYS A 65 43.389 33.133 18.580 1.00 0.00 C ATOM 1082 CD LYS A 65 42.504 33.576 17.427 1.00 0.00 C ATOM 1083 CE LYS A 65 41.742 34.846 17.766 1.00 0.00 C ATOM 1084 NZ LYS A 65 40.907 35.320 16.628 1.00 0.00 N1+ ATOM 0 HA LYS A 65 45.662 34.831 20.623 1.00 0.00 H new ATOM 0 HB2 LYS A 65 43.425 34.981 19.652 1.00 0.00 H new ATOM 0 HB3 LYS A 65 44.619 34.868 18.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 44.099 32.384 18.230 1.00 0.00 H new ATOM 0 HG3 LYS A 65 42.779 32.659 19.349 1.00 0.00 H new ATOM 0 HD2 LYS A 65 43.116 33.743 16.541 1.00 0.00 H new ATOM 0 HD3 LYS A 65 41.799 32.782 17.182 1.00 0.00 H new ATOM 0 HE2 LYS A 65 41.105 34.666 18.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 42.448 35.628 18.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 40.405 36.188 16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 41.517 35.518 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 40.215 34.586 16.376 1.00 0.00 H new ATOM 1098 N THR A 66 44.070 33.897 22.335 1.00 0.00 N ATOM 1099 CA THR A 66 43.505 33.244 23.522 1.00 0.00 C ATOM 1100 C THR A 66 42.230 33.963 23.974 1.00 0.00 C ATOM 1101 O THR A 66 41.953 35.063 23.495 1.00 0.00 O ATOM 1102 CB THR A 66 44.592 33.151 24.599 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.107 32.466 25.729 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.156 34.505 25.033 1.00 0.00 C ATOM 0 H THR A 66 44.055 34.917 22.349 1.00 0.00 H new ATOM 0 HA THR A 66 43.192 32.224 23.296 1.00 0.00 H new ATOM 0 HB THR A 66 45.413 32.601 24.139 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.812 32.413 26.407 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.919 34.353 25.797 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.598 35.008 24.173 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.353 35.120 25.439 1.00 0.00 H new ATOM 1112 N PHE A 67 41.411 33.334 24.825 1.00 0.00 N ATOM 1113 CA PHE A 67 40.040 33.775 25.120 1.00 0.00 C ATOM 1114 C PHE A 67 39.722 33.722 26.624 1.00 0.00 C ATOM 1115 O PHE A 67 40.226 32.853 27.335 1.00 0.00 O ATOM 1116 CB PHE A 67 39.022 32.945 24.308 1.00 0.00 C ATOM 1117 CG PHE A 67 39.220 32.917 22.797 1.00 0.00 C ATOM 1118 CD1 PHE A 67 40.246 32.129 22.238 1.00 0.00 C ATOM 1119 CD2 PHE A 67 38.376 33.654 21.940 1.00 0.00 C ATOM 1120 CE1 PHE A 67 40.456 32.116 20.849 1.00 0.00 C ATOM 1121 CE2 PHE A 67 38.548 33.584 20.544 1.00 0.00 C ATOM 1122 CZ PHE A 67 39.593 32.820 19.997 1.00 0.00 C ATOM 0 H PHE A 67 41.684 32.494 25.335 1.00 0.00 H new ATOM 0 HA PHE A 67 39.960 34.820 24.819 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.048 31.919 24.675 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.024 33.332 24.514 1.00 0.00 H new ATOM 0 HD1 PHE A 67 40.875 31.531 22.881 1.00 0.00 H new ATOM 0 HD2 PHE A 67 37.595 34.274 22.356 1.00 0.00 H new ATOM 0 HE1 PHE A 67 41.286 31.562 20.436 1.00 0.00 H new ATOM 0 HE2 PHE A 67 37.874 34.119 19.891 1.00 0.00 H new ATOM 0 HZ PHE A 67 39.731 32.775 18.927 1.00 0.00 H new ATOM 1132 N TYR A 68 38.868 34.631 27.099 1.00 0.00 N ATOM 1133 CA TYR A 68 38.465 34.767 28.508 1.00 0.00 C ATOM 1134 C TYR A 68 36.953 35.027 28.652 1.00 0.00 C ATOM 1135 O TYR A 68 36.275 35.329 27.670 1.00 0.00 O ATOM 1136 CB TYR A 68 39.304 35.869 29.174 1.00 0.00 C ATOM 1137 CG TYR A 68 38.957 37.281 28.746 1.00 0.00 C ATOM 1138 CD1 TYR A 68 37.785 37.884 29.239 1.00 0.00 C ATOM 1139 CD2 TYR A 68 39.804 37.986 27.866 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.460 39.202 28.862 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.481 39.306 27.491 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.316 39.920 27.999 1.00 0.00 C ATOM 1143 OH TYR A 68 37.997 41.186 27.629 1.00 0.00 O ATOM 0 H TYR A 68 38.420 35.319 26.495 1.00 0.00 H new ATOM 0 HA TYR A 68 38.657 33.824 29.020 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.185 35.793 30.255 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.356 35.687 28.955 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.135 37.337 29.906 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.697 37.516 27.481 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.556 39.663 29.233 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.125 39.848 26.815 1.00 0.00 H new ATOM 0 HH TYR A 68 38.692 41.538 27.034 1.00 0.00 H new ATOM 1153 N ILE A 69 36.415 34.884 29.869 1.00 0.00 N ATOM 1154 CA ILE A 69 34.970 34.982 30.166 1.00 0.00 C ATOM 1155 C ILE A 69 34.534 36.416 30.499 1.00 0.00 C ATOM 1156 O ILE A 69 35.192 37.103 31.278 1.00 0.00 O ATOM 1157 CB ILE A 69 34.582 34.015 31.310 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.098 32.575 31.094 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.058 33.996 31.534 1.00 0.00 C ATOM 1160 CD1 ILE A 69 34.716 31.954 29.743 1.00 0.00 C ATOM 0 H ILE A 69 36.979 34.693 30.697 1.00 0.00 H new ATOM 0 HA ILE A 69 34.439 34.691 29.260 1.00 0.00 H new ATOM 0 HB ILE A 69 35.074 34.403 32.202 1.00 0.00 H new ATOM 0 HG12 ILE A 69 36.184 32.575 31.185 1.00 0.00 H new ATOM 0 HG13 ILE A 69 34.712 31.941 31.892 1.00 0.00 H new ATOM 0 HG21 ILE A 69 32.818 33.307 32.344 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.716 34.997 31.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.560 33.670 30.621 1.00 0.00 H new ATOM 0 HD11 ILE A 69 35.120 30.944 29.680 1.00 0.00 H new ATOM 0 HD12 ILE A 69 33.630 31.917 29.654 1.00 0.00 H new ATOM 0 HD13 ILE A 69 35.126 32.560 28.935 1.00 0.00 H new ATOM 1172 N THR A 70 33.403 36.860 29.948 1.00 0.00 N ATOM 1173 CA THR A 70 32.814 38.179 30.199 1.00 0.00 C ATOM 1174 C THR A 70 31.889 38.202 31.427 1.00 0.00 C ATOM 1175 O THR A 70 31.309 37.171 31.793 1.00 0.00 O ATOM 1176 CB THR A 70 31.986 38.608 28.976 1.00 0.00 C ATOM 1177 OG1 THR A 70 30.887 37.755 28.763 1.00 0.00 O ATOM 1178 CG2 THR A 70 32.812 38.640 27.699 1.00 0.00 C ATOM 0 H THR A 70 32.855 36.297 29.297 1.00 0.00 H new ATOM 0 HA THR A 70 33.644 38.860 30.388 1.00 0.00 H new ATOM 0 HB THR A 70 31.636 39.615 29.204 1.00 0.00 H new ATOM 0 HG1 THR A 70 30.661 37.744 27.809 1.00 0.00 H new ATOM 0 HG21 THR A 70 32.181 38.949 26.865 1.00 0.00 H new ATOM 0 HG22 THR A 70 33.633 39.348 27.814 1.00 0.00 H new ATOM 0 HG23 THR A 70 33.214 37.647 27.501 1.00 0.00 H new ATOM 1186 N PRO A 71 31.624 39.389 32.016 1.00 0.00 N ATOM 1187 CA PRO A 71 30.531 39.545 32.975 1.00 0.00 C ATOM 1188 C PRO A 71 29.180 39.124 32.370 1.00 0.00 C ATOM 1189 O PRO A 71 28.373 38.505 33.059 1.00 0.00 O ATOM 1190 CB PRO A 71 30.544 41.023 33.386 1.00 0.00 C ATOM 1191 CG PRO A 71 31.181 41.714 32.183 1.00 0.00 C ATOM 1192 CD PRO A 71 32.223 40.690 31.736 1.00 0.00 C ATOM 0 HA PRO A 71 30.666 38.898 33.842 1.00 0.00 H new ATOM 0 HB2 PRO A 71 29.538 41.396 33.579 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.123 41.183 34.296 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.452 41.921 31.400 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.637 42.666 32.455 1.00 0.00 H new ATOM 0 HD2 PRO A 71 32.452 40.798 30.676 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.159 40.818 32.279 1.00 0.00 H new ATOM 1200 N ASN A 72 28.956 39.363 31.068 1.00 0.00 N ATOM 1201 CA ASN A 72 27.714 39.020 30.369 1.00 0.00 C ATOM 1202 C ASN A 72 27.351 37.529 30.487 1.00 0.00 C ATOM 1203 O ASN A 72 26.170 37.208 30.614 1.00 0.00 O ATOM 1204 CB ASN A 72 27.796 39.399 28.875 1.00 0.00 C ATOM 1205 CG ASN A 72 28.211 40.832 28.603 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.308 41.256 28.936 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.358 41.623 27.999 1.00 0.00 N ATOM 0 H ASN A 72 29.647 39.808 30.464 1.00 0.00 H new ATOM 0 HA ASN A 72 26.930 39.597 30.858 1.00 0.00 H new ATOM 0 HB2 ASN A 72 28.504 38.731 28.384 1.00 0.00 H new ATOM 0 HB3 ASN A 72 26.823 39.224 28.417 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.610 42.593 27.807 1.00 0.00 H new ATOM 0 HD22 ASN A 72 26.443 41.269 27.721 1.00 0.00 H new ATOM 1214 N GLY A 73 28.346 36.631 30.462 1.00 0.00 N ATOM 1215 CA GLY A 73 28.145 35.198 30.703 1.00 0.00 C ATOM 1216 C GLY A 73 28.091 34.833 32.189 1.00 0.00 C ATOM 1217 O GLY A 73 27.272 34.002 32.577 1.00 0.00 O ATOM 0 H GLY A 73 29.317 36.881 30.273 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.217 34.883 30.225 1.00 0.00 H new ATOM 0 HA3 GLY A 73 28.953 34.641 30.229 1.00 0.00 H new ATOM 1221 N ILE A 74 28.878 35.492 33.050 1.00 0.00 N ATOM 1222 CA ILE A 74 28.849 35.296 34.509 1.00 0.00 C ATOM 1223 C ILE A 74 27.455 35.547 35.095 1.00 0.00 C ATOM 1224 O ILE A 74 27.014 34.778 35.947 1.00 0.00 O ATOM 1225 CB ILE A 74 29.938 36.146 35.191 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.292 35.445 34.964 1.00 0.00 C ATOM 1227 CG2 ILE A 74 29.704 36.363 36.696 1.00 0.00 C ATOM 1228 CD1 ILE A 74 32.502 36.364 35.148 1.00 0.00 C ATOM 0 H ILE A 74 29.563 36.186 32.750 1.00 0.00 H new ATOM 0 HA ILE A 74 29.075 34.249 34.714 1.00 0.00 H new ATOM 0 HB ILE A 74 29.916 37.140 34.745 1.00 0.00 H new ATOM 0 HG12 ILE A 74 31.376 34.606 35.655 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.312 35.031 33.956 1.00 0.00 H new ATOM 0 HG21 ILE A 74 30.511 36.970 37.106 1.00 0.00 H new ATOM 0 HG22 ILE A 74 28.753 36.874 36.846 1.00 0.00 H new ATOM 0 HG23 ILE A 74 29.681 35.399 37.203 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.418 35.800 34.972 1.00 0.00 H new ATOM 0 HD12 ILE A 74 32.443 37.190 34.439 1.00 0.00 H new ATOM 0 HD13 ILE A 74 32.508 36.758 36.164 1.00 0.00 H new ATOM 1240 N GLU A 75 26.718 36.543 34.602 1.00 0.00 N ATOM 1241 CA GLU A 75 25.312 36.763 34.971 1.00 0.00 C ATOM 1242 C GLU A 75 24.430 35.524 34.764 1.00 0.00 C ATOM 1243 O GLU A 75 23.544 35.246 35.569 1.00 0.00 O ATOM 1244 CB GLU A 75 24.717 37.847 34.081 1.00 0.00 C ATOM 1245 CG GLU A 75 25.256 39.252 34.328 1.00 0.00 C ATOM 1246 CD GLU A 75 24.484 40.272 33.490 1.00 0.00 C ATOM 1247 OE1 GLU A 75 23.881 39.896 32.451 1.00 0.00 O ATOM 1248 OE2 GLU A 75 24.412 41.441 33.931 1.00 0.00 O ATOM 0 H GLU A 75 27.077 37.224 33.933 1.00 0.00 H new ATOM 0 HA GLU A 75 25.322 37.030 36.028 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.900 37.582 33.040 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.636 37.859 34.222 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.170 39.501 35.386 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.316 39.292 34.076 1.00 0.00 H new ATOM 1255 N LYS A 76 24.662 34.772 33.685 1.00 0.00 N ATOM 1256 CA LYS A 76 23.878 33.581 33.328 1.00 0.00 C ATOM 1257 C LYS A 76 24.209 32.397 34.248 1.00 0.00 C ATOM 1258 O LYS A 76 23.377 31.524 34.468 1.00 0.00 O ATOM 1259 CB LYS A 76 24.134 33.213 31.858 1.00 0.00 C ATOM 1260 CG LYS A 76 24.021 34.341 30.812 1.00 0.00 C ATOM 1261 CD LYS A 76 22.626 34.929 30.539 1.00 0.00 C ATOM 1262 CE LYS A 76 22.522 35.872 29.324 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.116 36.237 28.993 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.411 34.975 33.023 1.00 0.00 H new ATOM 0 HA LYS A 76 22.821 33.812 33.460 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.135 32.787 31.787 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.433 32.426 31.581 1.00 0.00 H new ATOM 0 HG2 LYS A 76 24.672 35.156 31.127 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.416 33.964 29.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.927 34.105 30.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.302 35.473 31.426 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.090 36.780 29.525 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.981 35.394 28.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.107 36.872 28.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.576 35.376 28.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.682 36.719 29.806 1.00 0.00 H new ATOM 1277 N LEU A 77 25.397 32.402 34.868 1.00 0.00 N ATOM 1278 CA LEU A 77 25.760 31.455 35.931 1.00 0.00 C ATOM 1279 C LEU A 77 24.887 31.636 37.185 1.00 0.00 C ATOM 1280 O LEU A 77 24.728 30.697 37.965 1.00 0.00 O ATOM 1281 CB LEU A 77 27.254 31.575 36.306 1.00 0.00 C ATOM 1282 CG LEU A 77 28.242 31.638 35.128 1.00 0.00 C ATOM 1283 CD1 LEU A 77 29.663 31.899 35.627 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.248 30.364 34.289 1.00 0.00 C ATOM 0 H LEU A 77 26.137 33.067 34.645 1.00 0.00 H new ATOM 0 HA LEU A 77 25.579 30.456 35.534 1.00 0.00 H new ATOM 0 HB2 LEU A 77 27.385 32.471 36.913 1.00 0.00 H new ATOM 0 HB3 LEU A 77 27.520 30.724 36.933 1.00 0.00 H new ATOM 0 HG LEU A 77 27.903 32.459 34.497 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.345 31.940 34.778 1.00 0.00 H new ATOM 0 HD12 LEU A 77 29.692 32.848 36.162 1.00 0.00 H new ATOM 0 HD13 LEU A 77 29.966 31.095 36.298 1.00 0.00 H new ATOM 0 HD21 LEU A 77 28.964 30.469 33.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.532 29.518 34.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.253 30.194 33.878 1.00 0.00 H new