USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 300 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 176 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 178 SER OG : rot 180:sc= -0.242 USER MOD Single : A 179 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.21) USER MOD Single : A 182 LYS NZ :NH3+ -127:sc= -0.421 (180deg=-0.596) USER MOD Single : A 183 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.9!) USER MOD Single : A 185 MET CE :methyl -149:sc= -0.785 (180deg=-3.69!) USER MOD Single : A 186 THR OG1 : rot -84:sc= 1.08 USER MOD Single : A 188 THR OG1 : rot -84:sc= 0.188! USER MOD Single : A 192 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 193 ASN : amide:sc= -3.72! C(o=-3.7!,f=-13!) USER MOD Single : B 176 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 178 SER OG : rot 180:sc= -0.246 USER MOD Single : B 179 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.29) USER MOD Single : B 182 LYS NZ :NH3+ -127:sc= -0.376 (180deg=-0.507) USER MOD Single : B 183 ASN : amide:sc= -0.0545 K(o=-0.055,f=-2!) USER MOD Single : B 185 MET CE :methyl -149:sc= -0.684 (180deg=-3.45!) USER MOD Single : B 186 THR OG1 : rot -78:sc= 0.811 USER MOD Single : B 188 THR OG1 : rot -88:sc= 0.27! USER MOD Single : B 192 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 193 ASN : amide:sc= -3.34! C(o=-3.3!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 175 102.956 145.129 29.749 1.00 0.00 N ATOM 2 CA GLU A 175 103.315 143.686 29.669 1.00 0.00 C ATOM 3 C GLU A 175 103.256 143.229 28.215 1.00 0.00 C ATOM 4 O GLU A 175 102.963 144.019 27.318 1.00 0.00 O ATOM 5 CB GLU A 175 102.332 142.871 30.513 1.00 0.00 C ATOM 6 CG GLU A 175 100.901 143.170 30.060 1.00 0.00 C ATOM 7 CD GLU A 175 99.913 142.339 30.872 1.00 0.00 C ATOM 8 OE1 GLU A 175 100.361 141.473 31.606 1.00 0.00 O ATOM 9 OE2 GLU A 175 98.724 142.581 30.750 1.00 0.00 O ATOM 0 HA GLU A 175 104.325 143.536 30.050 1.00 0.00 H new ATOM 0 HB2 GLU A 175 102.543 141.807 30.409 1.00 0.00 H new ATOM 0 HB3 GLU A 175 102.450 143.118 31.568 1.00 0.00 H new ATOM 0 HG2 GLU A 175 100.685 144.231 30.185 1.00 0.00 H new ATOM 0 HG3 GLU A 175 100.792 142.945 28.999 1.00 0.00 H new ATOM 16 N GLN A 176 103.536 141.950 27.991 1.00 0.00 N ATOM 17 CA GLN A 176 103.509 141.398 26.641 1.00 0.00 C ATOM 18 C GLN A 176 104.352 142.248 25.698 1.00 0.00 C ATOM 19 O GLN A 176 103.825 143.074 24.951 1.00 0.00 O ATOM 20 CB GLN A 176 102.068 141.340 26.129 1.00 0.00 C ATOM 21 CG GLN A 176 102.019 140.529 24.832 1.00 0.00 C ATOM 22 CD GLN A 176 100.577 140.400 24.354 1.00 0.00 C ATOM 23 OE1 GLN A 176 99.682 141.053 24.891 1.00 0.00 O ATOM 24 NE2 GLN A 176 100.297 139.590 23.369 1.00 0.00 N ATOM 0 H GLN A 176 103.782 141.280 28.720 1.00 0.00 H new ATOM 0 HA GLN A 176 103.924 140.391 26.672 1.00 0.00 H new ATOM 0 HB2 GLN A 176 101.422 140.885 26.880 1.00 0.00 H new ATOM 0 HB3 GLN A 176 101.692 142.348 25.954 1.00 0.00 H new ATOM 0 HG2 GLN A 176 102.623 141.015 24.066 1.00 0.00 H new ATOM 0 HG3 GLN A 176 102.447 139.540 24.995 1.00 0.00 H new ATOM 0 HE21 GLN A 176 101.040 139.050 22.926 1.00 0.00 H new ATOM 0 HE22 GLN A 176 99.335 139.497 23.043 1.00 0.00 H new ATOM 33 N ALA A 177 105.665 142.043 25.736 1.00 0.00 N ATOM 34 CA ALA A 177 106.571 142.790 24.872 1.00 0.00 C ATOM 35 C ALA A 177 107.050 141.916 23.715 1.00 0.00 C ATOM 36 O ALA A 177 106.268 141.177 23.119 1.00 0.00 O ATOM 37 CB ALA A 177 107.776 143.279 25.676 1.00 0.00 C ATOM 0 H ALA A 177 106.122 141.370 26.352 1.00 0.00 H new ATOM 0 HA ALA A 177 106.033 143.647 24.468 1.00 0.00 H new ATOM 0 HB1 ALA A 177 108.448 143.836 25.023 1.00 0.00 H new ATOM 0 HB2 ALA A 177 107.436 143.927 26.484 1.00 0.00 H new ATOM 0 HB3 ALA A 177 108.305 142.423 26.095 1.00 0.00 H new ATOM 43 N SER A 178 108.339 142.008 23.405 1.00 0.00 N ATOM 44 CA SER A 178 108.911 141.220 22.320 1.00 0.00 C ATOM 45 C SER A 178 110.421 141.090 22.491 1.00 0.00 C ATOM 46 O SER A 178 110.908 140.775 23.577 1.00 0.00 O ATOM 47 CB SER A 178 108.603 141.880 20.977 1.00 0.00 C ATOM 48 OG SER A 178 108.921 140.976 19.925 1.00 0.00 O ATOM 0 H SER A 178 109.003 142.615 23.886 1.00 0.00 H new ATOM 0 HA SER A 178 108.467 140.225 22.345 1.00 0.00 H new ATOM 0 HB2 SER A 178 107.550 142.157 20.928 1.00 0.00 H new ATOM 0 HB3 SER A 178 109.180 142.799 20.869 1.00 0.00 H new ATOM 0 HG SER A 178 108.723 141.396 19.062 1.00 0.00 H new ATOM 54 N GLN A 179 111.157 141.335 21.412 1.00 0.00 N ATOM 55 CA GLN A 179 112.612 141.246 21.455 1.00 0.00 C ATOM 56 C GLN A 179 113.052 140.039 22.276 1.00 0.00 C ATOM 57 O GLN A 179 112.926 138.895 21.835 1.00 0.00 O ATOM 58 CB GLN A 179 113.195 142.522 22.067 1.00 0.00 C ATOM 59 CG GLN A 179 114.716 142.523 21.894 1.00 0.00 C ATOM 60 CD GLN A 179 115.072 142.591 20.413 1.00 0.00 C ATOM 61 OE1 GLN A 179 114.637 143.503 19.711 1.00 0.00 O ATOM 62 NE2 GLN A 179 115.842 141.674 19.894 1.00 0.00 N ATOM 0 H GLN A 179 110.773 141.595 20.503 1.00 0.00 H new ATOM 0 HA GLN A 179 112.980 141.130 20.436 1.00 0.00 H new ATOM 0 HB2 GLN A 179 112.763 143.399 21.585 1.00 0.00 H new ATOM 0 HB3 GLN A 179 112.939 142.581 23.125 1.00 0.00 H new ATOM 0 HG2 GLN A 179 115.150 143.373 22.420 1.00 0.00 H new ATOM 0 HG3 GLN A 179 115.141 141.623 22.338 1.00 0.00 H new ATOM 0 HE21 GLN A 179 116.201 140.919 20.478 1.00 0.00 H new ATOM 0 HE22 GLN A 179 116.085 141.712 18.904 1.00 0.00 H new ATOM 71 N GLU A 180 113.564 140.299 23.476 1.00 0.00 N ATOM 72 CA GLU A 180 114.018 139.225 24.351 1.00 0.00 C ATOM 73 C GLU A 180 112.858 138.298 24.705 1.00 0.00 C ATOM 74 O GLU A 180 113.012 137.076 24.724 1.00 0.00 O ATOM 75 CB GLU A 180 114.612 139.811 25.633 1.00 0.00 C ATOM 76 CG GLU A 180 115.936 140.506 25.310 1.00 0.00 C ATOM 77 CD GLU A 180 116.478 141.199 26.555 1.00 0.00 C ATOM 78 OE1 GLU A 180 115.735 141.316 27.515 1.00 0.00 O ATOM 79 OE2 GLU A 180 117.629 141.605 26.530 1.00 0.00 O ATOM 0 H GLU A 180 113.674 141.237 23.862 1.00 0.00 H new ATOM 0 HA GLU A 180 114.782 138.652 23.826 1.00 0.00 H new ATOM 0 HB2 GLU A 180 113.915 140.521 26.078 1.00 0.00 H new ATOM 0 HB3 GLU A 180 114.773 139.021 26.366 1.00 0.00 H new ATOM 0 HG2 GLU A 180 116.660 139.777 24.945 1.00 0.00 H new ATOM 0 HG3 GLU A 180 115.789 141.235 24.513 1.00 0.00 H new ATOM 86 N VAL A 181 111.699 138.886 24.980 1.00 0.00 N ATOM 87 CA VAL A 181 110.516 138.103 25.319 1.00 0.00 C ATOM 88 C VAL A 181 110.122 137.200 24.152 1.00 0.00 C ATOM 89 O VAL A 181 109.756 136.042 24.348 1.00 0.00 O ATOM 90 CB VAL A 181 109.354 139.034 25.664 1.00 0.00 C ATOM 91 CG1 VAL A 181 108.069 138.216 25.808 1.00 0.00 C ATOM 92 CG2 VAL A 181 109.651 139.750 26.984 1.00 0.00 C ATOM 0 H VAL A 181 111.553 139.896 24.975 1.00 0.00 H new ATOM 0 HA VAL A 181 110.748 137.481 26.183 1.00 0.00 H new ATOM 0 HB VAL A 181 109.229 139.769 24.869 1.00 0.00 H new ATOM 0 HG11 VAL A 181 107.241 138.880 26.054 1.00 0.00 H new ATOM 0 HG12 VAL A 181 107.857 137.703 24.870 1.00 0.00 H new ATOM 0 HG13 VAL A 181 108.193 137.481 26.603 1.00 0.00 H new ATOM 0 HG21 VAL A 181 108.823 140.415 27.232 1.00 0.00 H new ATOM 0 HG22 VAL A 181 109.775 139.013 27.778 1.00 0.00 H new ATOM 0 HG23 VAL A 181 110.567 140.333 26.884 1.00 0.00 H new ATOM 102 N LYS A 182 110.193 137.742 22.941 1.00 0.00 N ATOM 103 CA LYS A 182 109.846 136.977 21.750 1.00 0.00 C ATOM 104 C LYS A 182 110.826 135.825 21.550 1.00 0.00 C ATOM 105 O LYS A 182 110.435 134.725 21.155 1.00 0.00 O ATOM 106 CB LYS A 182 109.863 137.885 20.521 1.00 0.00 C ATOM 107 CG LYS A 182 109.401 137.095 19.295 1.00 0.00 C ATOM 108 CD LYS A 182 109.350 138.022 18.079 1.00 0.00 C ATOM 109 CE LYS A 182 108.828 137.247 16.867 1.00 0.00 C ATOM 110 NZ LYS A 182 109.781 136.153 16.529 1.00 0.00 N ATOM 0 H LYS A 182 110.486 138.702 22.759 1.00 0.00 H new ATOM 0 HA LYS A 182 108.844 136.568 21.883 1.00 0.00 H new ATOM 0 HB2 LYS A 182 109.210 138.743 20.681 1.00 0.00 H new ATOM 0 HB3 LYS A 182 110.868 138.275 20.358 1.00 0.00 H new ATOM 0 HG2 LYS A 182 110.083 136.266 19.105 1.00 0.00 H new ATOM 0 HG3 LYS A 182 108.417 136.663 19.477 1.00 0.00 H new ATOM 0 HD2 LYS A 182 108.703 138.874 18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 182 110.343 138.419 17.870 1.00 0.00 H new ATOM 0 HE2 LYS A 182 107.844 136.832 17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 182 108.711 137.918 16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 110.044 136.219 15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 110.634 136.242 17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 109.331 135.233 16.709 1.00 0.00 H new ATOM 124 N ASN A 183 112.102 136.086 21.819 1.00 0.00 N ATOM 125 CA ASN A 183 113.130 135.064 21.652 1.00 0.00 C ATOM 126 C ASN A 183 112.832 133.854 22.532 1.00 0.00 C ATOM 127 O ASN A 183 112.866 132.715 22.067 1.00 0.00 O ATOM 128 CB ASN A 183 114.498 135.639 22.024 1.00 0.00 C ATOM 129 CG ASN A 183 114.952 136.634 20.960 1.00 0.00 C ATOM 130 OD1 ASN A 183 114.462 136.603 19.831 1.00 0.00 O ATOM 131 ND2 ASN A 183 115.864 137.519 21.255 1.00 0.00 N ATOM 0 H ASN A 183 112.446 136.987 22.150 1.00 0.00 H new ATOM 0 HA ASN A 183 113.136 134.748 20.609 1.00 0.00 H new ATOM 0 HB2 ASN A 183 114.443 136.132 22.995 1.00 0.00 H new ATOM 0 HB3 ASN A 183 115.227 134.834 22.116 1.00 0.00 H new ATOM 0 HD21 ASN A 183 116.173 138.188 20.549 1.00 0.00 H new ATOM 0 HD22 ASN A 183 116.268 137.542 22.191 1.00 0.00 H new ATOM 138 N TRP A 184 112.534 134.109 23.802 1.00 0.00 N ATOM 139 CA TRP A 184 112.212 133.034 24.731 1.00 0.00 C ATOM 140 C TRP A 184 110.858 132.417 24.390 1.00 0.00 C ATOM 141 O TRP A 184 110.705 131.196 24.391 1.00 0.00 O ATOM 142 CB TRP A 184 112.182 133.572 26.163 1.00 0.00 C ATOM 143 CG TRP A 184 111.510 132.580 27.059 1.00 0.00 C ATOM 144 CD1 TRP A 184 112.140 131.625 27.773 1.00 0.00 C ATOM 145 CD2 TRP A 184 110.087 132.426 27.335 1.00 0.00 C ATOM 146 NE1 TRP A 184 111.201 130.897 28.480 1.00 0.00 N ATOM 147 CE2 TRP A 184 109.920 131.352 28.241 1.00 0.00 C ATOM 148 CE3 TRP A 184 108.938 133.108 26.897 1.00 0.00 C ATOM 149 CZ2 TRP A 184 108.657 130.968 28.694 1.00 0.00 C ATOM 150 CZ3 TRP A 184 107.666 132.724 27.349 1.00 0.00 C ATOM 151 CH2 TRP A 184 107.526 131.655 28.247 1.00 0.00 C ATOM 0 H TRP A 184 112.509 135.044 24.208 1.00 0.00 H new ATOM 0 HA TRP A 184 112.981 132.266 24.647 1.00 0.00 H new ATOM 0 HB2 TRP A 184 113.197 133.763 26.512 1.00 0.00 H new ATOM 0 HB3 TRP A 184 111.650 134.523 26.194 1.00 0.00 H new ATOM 0 HD1 TRP A 184 113.207 131.456 27.790 1.00 0.00 H new ATOM 0 HE1 TRP A 184 111.427 130.120 29.101 1.00 0.00 H new ATOM 0 HE3 TRP A 184 109.035 133.934 26.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 184 108.555 130.145 29.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 184 106.791 133.254 27.004 1.00 0.00 H new ATOM 0 HH2 TRP A 184 106.545 131.364 28.592 1.00 0.00 H new ATOM 162 N MET A 185 109.881 133.272 24.100 1.00 0.00 N ATOM 163 CA MET A 185 108.535 132.797 23.807 1.00 0.00 C ATOM 164 C MET A 185 108.554 131.798 22.656 1.00 0.00 C ATOM 165 O MET A 185 108.006 130.702 22.766 1.00 0.00 O ATOM 166 CB MET A 185 107.636 133.983 23.439 1.00 0.00 C ATOM 167 CG MET A 185 106.191 133.503 23.296 1.00 0.00 C ATOM 168 SD MET A 185 105.088 134.934 23.188 1.00 0.00 S ATOM 169 CE MET A 185 105.315 135.522 24.885 1.00 0.00 C ATOM 0 H MET A 185 109.995 134.285 24.062 1.00 0.00 H new ATOM 0 HA MET A 185 108.144 132.300 24.695 1.00 0.00 H new ATOM 0 HB2 MET A 185 107.700 134.754 24.207 1.00 0.00 H new ATOM 0 HB3 MET A 185 107.975 134.434 22.506 1.00 0.00 H new ATOM 0 HG2 MET A 185 106.089 132.884 22.405 1.00 0.00 H new ATOM 0 HG3 MET A 185 105.917 132.882 24.149 1.00 0.00 H new ATOM 0 HE1 MET A 185 104.400 136.005 25.228 1.00 0.00 H new ATOM 0 HE2 MET A 185 105.545 134.678 25.535 1.00 0.00 H new ATOM 0 HE3 MET A 185 106.137 136.238 24.915 1.00 0.00 H new ATOM 179 N THR A 186 109.193 132.182 21.556 1.00 0.00 N ATOM 180 CA THR A 186 109.249 131.320 20.385 1.00 0.00 C ATOM 181 C THR A 186 110.232 130.175 20.595 1.00 0.00 C ATOM 182 O THR A 186 109.887 129.009 20.422 1.00 0.00 O ATOM 183 CB THR A 186 109.676 132.137 19.157 1.00 0.00 C ATOM 184 OG1 THR A 186 110.938 132.740 19.410 1.00 0.00 O ATOM 185 CG2 THR A 186 108.636 133.222 18.875 1.00 0.00 C ATOM 0 H THR A 186 109.674 133.075 21.452 1.00 0.00 H new ATOM 0 HA THR A 186 108.256 130.901 20.225 1.00 0.00 H new ATOM 0 HB THR A 186 109.753 131.480 18.291 1.00 0.00 H new ATOM 0 HG1 THR A 186 110.807 133.579 19.899 1.00 0.00 H new ATOM 0 HG21 THR A 186 108.941 133.801 18.003 1.00 0.00 H new ATOM 0 HG22 THR A 186 107.669 132.758 18.682 1.00 0.00 H new ATOM 0 HG23 THR A 186 108.556 133.882 19.739 1.00 0.00 H new ATOM 193 N GLU A 187 111.457 130.520 20.983 1.00 0.00 N ATOM 194 CA GLU A 187 112.499 129.516 21.138 1.00 0.00 C ATOM 195 C GLU A 187 112.042 128.391 22.054 1.00 0.00 C ATOM 196 O GLU A 187 112.045 127.220 21.666 1.00 0.00 O ATOM 197 CB GLU A 187 113.763 130.166 21.722 1.00 0.00 C ATOM 198 CG GLU A 187 114.875 129.120 21.826 1.00 0.00 C ATOM 199 CD GLU A 187 115.239 128.606 20.438 1.00 0.00 C ATOM 200 OE1 GLU A 187 114.609 127.661 19.993 1.00 0.00 O ATOM 201 OE2 GLU A 187 116.144 129.165 19.839 1.00 0.00 O ATOM 0 H GLU A 187 111.748 131.475 21.193 1.00 0.00 H new ATOM 0 HA GLU A 187 112.717 129.097 20.155 1.00 0.00 H new ATOM 0 HB2 GLU A 187 114.085 130.993 21.089 1.00 0.00 H new ATOM 0 HB3 GLU A 187 113.549 130.583 22.706 1.00 0.00 H new ATOM 0 HG2 GLU A 187 115.753 129.556 22.303 1.00 0.00 H new ATOM 0 HG3 GLU A 187 114.549 128.292 22.455 1.00 0.00 H new ATOM 208 N THR A 188 111.638 128.750 23.269 1.00 0.00 N ATOM 209 CA THR A 188 111.253 127.750 24.255 1.00 0.00 C ATOM 210 C THR A 188 109.989 127.021 23.829 1.00 0.00 C ATOM 211 O THR A 188 109.946 125.790 23.810 1.00 0.00 O ATOM 212 CB THR A 188 111.021 128.425 25.615 1.00 0.00 C ATOM 213 OG1 THR A 188 109.976 129.379 25.492 1.00 0.00 O ATOM 214 CG2 THR A 188 112.304 129.124 26.069 1.00 0.00 C ATOM 0 H THR A 188 111.570 129.716 23.591 1.00 0.00 H new ATOM 0 HA THR A 188 112.061 127.023 24.336 1.00 0.00 H new ATOM 0 HB THR A 188 110.744 127.672 26.353 1.00 0.00 H new ATOM 0 HG1 THR A 188 110.342 130.224 25.157 1.00 0.00 H new ATOM 0 HG21 THR A 188 112.136 129.602 27.034 1.00 0.00 H new ATOM 0 HG22 THR A 188 113.105 128.390 26.162 1.00 0.00 H new ATOM 0 HG23 THR A 188 112.587 129.879 25.335 1.00 0.00 H new ATOM 222 N LEU A 189 108.962 127.787 23.479 1.00 0.00 N ATOM 223 CA LEU A 189 107.679 127.202 23.097 1.00 0.00 C ATOM 224 C LEU A 189 107.810 126.433 21.789 1.00 0.00 C ATOM 225 O LEU A 189 107.142 125.419 21.583 1.00 0.00 O ATOM 226 CB LEU A 189 106.629 128.303 22.947 1.00 0.00 C ATOM 227 CG LEU A 189 106.494 129.065 24.268 1.00 0.00 C ATOM 228 CD1 LEU A 189 105.477 130.197 24.098 1.00 0.00 C ATOM 229 CD2 LEU A 189 106.013 128.109 25.361 1.00 0.00 C ATOM 0 H LEU A 189 108.990 128.806 23.451 1.00 0.00 H new ATOM 0 HA LEU A 189 107.367 126.510 23.879 1.00 0.00 H new ATOM 0 HB2 LEU A 189 106.916 128.987 22.148 1.00 0.00 H new ATOM 0 HB3 LEU A 189 105.669 127.869 22.666 1.00 0.00 H new ATOM 0 HG LEU A 189 107.461 129.481 24.550 1.00 0.00 H new ATOM 0 HD11 LEU A 189 105.378 130.742 25.037 1.00 0.00 H new ATOM 0 HD12 LEU A 189 105.817 130.878 23.318 1.00 0.00 H new ATOM 0 HD13 LEU A 189 104.510 129.779 23.818 1.00 0.00 H new ATOM 0 HD21 LEU A 189 105.917 128.651 26.302 1.00 0.00 H new ATOM 0 HD22 LEU A 189 105.045 127.694 25.081 1.00 0.00 H new ATOM 0 HD23 LEU A 189 106.734 127.300 25.480 1.00 0.00 H new ATOM 241 N LEU A 190 108.674 126.924 20.905 1.00 0.00 N ATOM 242 CA LEU A 190 108.897 126.263 19.622 1.00 0.00 C ATOM 243 C LEU A 190 109.353 124.822 19.839 1.00 0.00 C ATOM 244 O LEU A 190 108.832 123.897 19.215 1.00 0.00 O ATOM 245 CB LEU A 190 109.957 127.022 18.823 1.00 0.00 C ATOM 246 CG LEU A 190 110.301 126.236 17.557 1.00 0.00 C ATOM 247 CD1 LEU A 190 109.034 126.026 16.725 1.00 0.00 C ATOM 248 CD2 LEU A 190 111.325 127.020 16.734 1.00 0.00 C ATOM 0 H LEU A 190 109.227 127.769 21.051 1.00 0.00 H new ATOM 0 HA LEU A 190 107.960 126.257 19.066 1.00 0.00 H new ATOM 0 HB2 LEU A 190 109.588 128.013 18.559 1.00 0.00 H new ATOM 0 HB3 LEU A 190 110.851 127.165 19.429 1.00 0.00 H new ATOM 0 HG LEU A 190 110.719 125.268 17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 190 109.280 125.466 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 190 108.303 125.469 17.310 1.00 0.00 H new ATOM 0 HD13 LEU A 190 108.616 126.994 16.448 1.00 0.00 H new ATOM 0 HD21 LEU A 190 111.571 126.461 15.831 1.00 0.00 H new ATOM 0 HD22 LEU A 190 110.906 127.988 16.458 1.00 0.00 H new ATOM 0 HD23 LEU A 190 112.228 127.171 17.325 1.00 0.00 H new ATOM 260 N VAL A 191 110.330 124.641 20.720 1.00 0.00 N ATOM 261 CA VAL A 191 110.834 123.307 21.025 1.00 0.00 C ATOM 262 C VAL A 191 109.742 122.460 21.677 1.00 0.00 C ATOM 263 O VAL A 191 109.592 121.278 21.368 1.00 0.00 O ATOM 264 CB VAL A 191 112.036 123.403 21.964 1.00 0.00 C ATOM 265 CG1 VAL A 191 112.430 122.002 22.436 1.00 0.00 C ATOM 266 CG2 VAL A 191 113.212 124.039 21.219 1.00 0.00 C ATOM 0 H VAL A 191 110.786 125.395 21.233 1.00 0.00 H new ATOM 0 HA VAL A 191 111.141 122.833 20.093 1.00 0.00 H new ATOM 0 HB VAL A 191 111.775 124.016 22.827 1.00 0.00 H new ATOM 0 HG11 VAL A 191 113.287 122.071 23.106 1.00 0.00 H new ATOM 0 HG12 VAL A 191 111.592 121.547 22.965 1.00 0.00 H new ATOM 0 HG13 VAL A 191 112.691 121.388 21.574 1.00 0.00 H new ATOM 0 HG21 VAL A 191 114.071 124.109 21.887 1.00 0.00 H new ATOM 0 HG22 VAL A 191 113.472 123.425 20.357 1.00 0.00 H new ATOM 0 HG23 VAL A 191 112.932 125.037 20.882 1.00 0.00 H new ATOM 276 N GLN A 192 108.985 123.074 22.581 1.00 0.00 N ATOM 277 CA GLN A 192 107.914 122.366 23.272 1.00 0.00 C ATOM 278 C GLN A 192 106.886 121.844 22.273 1.00 0.00 C ATOM 279 O GLN A 192 106.409 120.715 22.391 1.00 0.00 O ATOM 280 CB GLN A 192 107.228 123.302 24.269 1.00 0.00 C ATOM 281 CG GLN A 192 106.199 122.516 25.083 1.00 0.00 C ATOM 282 CD GLN A 192 105.582 123.414 26.151 1.00 0.00 C ATOM 283 OE1 GLN A 192 105.959 124.579 26.276 1.00 0.00 O ATOM 284 NE2 GLN A 192 104.651 122.939 26.931 1.00 0.00 N ATOM 0 H GLN A 192 109.092 124.052 22.850 1.00 0.00 H new ATOM 0 HA GLN A 192 108.348 121.521 23.806 1.00 0.00 H new ATOM 0 HB2 GLN A 192 107.968 123.749 24.933 1.00 0.00 H new ATOM 0 HB3 GLN A 192 106.740 124.120 23.739 1.00 0.00 H new ATOM 0 HG2 GLN A 192 105.420 122.131 24.425 1.00 0.00 H new ATOM 0 HG3 GLN A 192 106.675 121.654 25.551 1.00 0.00 H new ATOM 0 HE21 GLN A 192 104.341 121.973 26.825 1.00 0.00 H new ATOM 0 HE22 GLN A 192 104.233 123.533 27.647 1.00 0.00 H new ATOM 293 N ASN A 193 106.550 122.673 21.289 1.00 0.00 N ATOM 294 CA ASN A 193 105.582 122.281 20.271 1.00 0.00 C ATOM 295 C ASN A 193 106.287 121.960 18.956 1.00 0.00 C ATOM 296 O ASN A 193 105.662 121.348 18.106 1.00 0.00 O ATOM 297 CB ASN A 193 104.572 123.409 20.049 1.00 0.00 C ATOM 298 CG ASN A 193 105.278 124.636 19.484 1.00 0.00 C ATOM 299 OD1 ASN A 193 106.433 124.554 19.071 1.00 0.00 O ATOM 300 ND2 ASN A 193 104.647 125.778 19.443 1.00 0.00 N ATOM 0 H ASN A 193 106.930 123.613 21.175 1.00 0.00 H new ATOM 0 HA ASN A 193 105.060 121.389 20.617 1.00 0.00 H new ATOM 0 HB2 ASN A 193 103.792 123.080 19.363 1.00 0.00 H new ATOM 0 HB3 ASN A 193 104.083 123.661 20.990 1.00 0.00 H new ATOM 0 HD21 ASN A 193 105.112 126.605 19.068 1.00 0.00 H new ATOM 0 HD22 ASN A 193 103.689 125.844 19.786 1.00 0.00 H new TER 307 ASN A 193 ATOM 308 N GLU B 175 118.381 130.281 28.655 1.00 0.00 N ATOM 309 CA GLU B 175 117.851 131.150 27.566 1.00 0.00 C ATOM 310 C GLU B 175 116.791 132.086 28.136 1.00 0.00 C ATOM 311 O GLU B 175 116.620 133.209 27.661 1.00 0.00 O ATOM 312 CB GLU B 175 117.239 130.273 26.471 1.00 0.00 C ATOM 313 CG GLU B 175 118.337 129.431 25.819 1.00 0.00 C ATOM 314 CD GLU B 175 118.644 128.213 26.685 1.00 0.00 C ATOM 315 OE1 GLU B 175 118.002 128.064 27.712 1.00 0.00 O ATOM 316 OE2 GLU B 175 119.517 127.448 26.310 1.00 0.00 O ATOM 0 HA GLU B 175 118.660 131.743 27.140 1.00 0.00 H new ATOM 0 HB2 GLU B 175 116.472 129.625 26.895 1.00 0.00 H new ATOM 0 HB3 GLU B 175 116.750 130.896 25.722 1.00 0.00 H new ATOM 0 HG2 GLU B 175 118.020 129.111 24.826 1.00 0.00 H new ATOM 0 HG3 GLU B 175 119.238 130.031 25.688 1.00 0.00 H new ATOM 323 N GLN B 176 116.082 131.617 29.157 1.00 0.00 N ATOM 324 CA GLN B 176 115.041 132.423 29.785 1.00 0.00 C ATOM 325 C GLN B 176 115.656 133.479 30.695 1.00 0.00 C ATOM 326 O GLN B 176 116.630 133.214 31.400 1.00 0.00 O ATOM 327 CB GLN B 176 114.107 131.525 30.599 1.00 0.00 C ATOM 328 CG GLN B 176 114.898 130.847 31.719 1.00 0.00 C ATOM 329 CD GLN B 176 114.012 129.844 32.450 1.00 0.00 C ATOM 330 OE1 GLN B 176 112.915 130.189 32.891 1.00 0.00 O ATOM 331 NE2 GLN B 176 114.424 128.616 32.605 1.00 0.00 N ATOM 0 H GLN B 176 116.207 130.691 29.565 1.00 0.00 H new ATOM 0 HA GLN B 176 114.472 132.924 29.001 1.00 0.00 H new ATOM 0 HB2 GLN B 176 113.293 132.116 31.020 1.00 0.00 H new ATOM 0 HB3 GLN B 176 113.654 130.773 29.953 1.00 0.00 H new ATOM 0 HG2 GLN B 176 115.770 130.340 31.305 1.00 0.00 H new ATOM 0 HG3 GLN B 176 115.268 131.596 32.419 1.00 0.00 H new ATOM 0 HE21 GLN B 176 115.333 128.333 32.239 1.00 0.00 H new ATOM 0 HE22 GLN B 176 113.837 127.939 33.092 1.00 0.00 H new ATOM 340 N ALA B 177 115.080 134.677 30.677 1.00 0.00 N ATOM 341 CA ALA B 177 115.577 135.765 31.512 1.00 0.00 C ATOM 342 C ALA B 177 114.618 136.028 32.670 1.00 0.00 C ATOM 343 O ALA B 177 114.087 135.097 33.273 1.00 0.00 O ATOM 344 CB ALA B 177 115.732 137.037 30.676 1.00 0.00 C ATOM 0 H ALA B 177 114.275 134.918 30.098 1.00 0.00 H new ATOM 0 HA ALA B 177 116.548 135.477 31.915 1.00 0.00 H new ATOM 0 HB1 ALA B 177 116.103 137.844 31.307 1.00 0.00 H new ATOM 0 HB2 ALA B 177 116.438 136.856 29.865 1.00 0.00 H new ATOM 0 HB3 ALA B 177 114.765 137.318 30.259 1.00 0.00 H new ATOM 350 N SER B 178 114.404 137.305 32.975 1.00 0.00 N ATOM 351 CA SER B 178 113.508 137.680 34.062 1.00 0.00 C ATOM 352 C SER B 178 113.008 139.109 33.876 1.00 0.00 C ATOM 353 O SER B 178 112.580 139.490 32.787 1.00 0.00 O ATOM 354 CB SER B 178 114.233 137.561 35.402 1.00 0.00 C ATOM 355 OG SER B 178 113.284 137.627 36.458 1.00 0.00 O ATOM 0 H SER B 178 114.835 138.091 32.489 1.00 0.00 H new ATOM 0 HA SER B 178 112.653 137.004 34.052 1.00 0.00 H new ATOM 0 HB2 SER B 178 114.782 136.620 35.449 1.00 0.00 H new ATOM 0 HB3 SER B 178 114.965 138.362 35.505 1.00 0.00 H new ATOM 0 HG SER B 178 113.746 137.549 37.319 1.00 0.00 H new ATOM 361 N GLN B 179 113.065 139.895 34.946 1.00 0.00 N ATOM 362 CA GLN B 179 112.622 141.283 34.888 1.00 0.00 C ATOM 363 C GLN B 179 111.341 141.402 34.067 1.00 0.00 C ATOM 364 O GLN B 179 110.269 140.990 34.510 1.00 0.00 O ATOM 365 CB GLN B 179 113.713 142.153 34.262 1.00 0.00 C ATOM 366 CG GLN B 179 113.346 143.630 34.426 1.00 0.00 C ATOM 367 CD GLN B 179 113.327 144.003 35.904 1.00 0.00 C ATOM 368 OE1 GLN B 179 114.332 143.843 36.597 1.00 0.00 O ATOM 369 NE2 GLN B 179 112.238 144.491 36.430 1.00 0.00 N ATOM 0 H GLN B 179 113.411 139.597 35.858 1.00 0.00 H new ATOM 0 HA GLN B 179 112.423 141.624 35.904 1.00 0.00 H new ATOM 0 HB2 GLN B 179 114.672 141.951 34.739 1.00 0.00 H new ATOM 0 HB3 GLN B 179 113.825 141.910 33.205 1.00 0.00 H new ATOM 0 HG2 GLN B 179 114.066 144.253 33.895 1.00 0.00 H new ATOM 0 HG3 GLN B 179 112.369 143.822 33.982 1.00 0.00 H new ATOM 0 HE21 GLN B 179 111.407 144.622 35.853 1.00 0.00 H new ATOM 0 HE22 GLN B 179 112.217 144.742 37.419 1.00 0.00 H new ATOM 378 N GLU B 180 111.461 141.966 32.869 1.00 0.00 N ATOM 379 CA GLU B 180 110.305 142.135 31.997 1.00 0.00 C ATOM 380 C GLU B 180 109.693 140.780 31.653 1.00 0.00 C ATOM 381 O GLU B 180 108.472 140.622 31.658 1.00 0.00 O ATOM 382 CB GLU B 180 110.724 142.848 30.709 1.00 0.00 C ATOM 383 CG GLU B 180 111.056 144.309 31.018 1.00 0.00 C ATOM 384 CD GLU B 180 111.599 144.996 29.770 1.00 0.00 C ATOM 385 OE1 GLU B 180 111.943 144.293 28.834 1.00 0.00 O ATOM 386 OE2 GLU B 180 111.661 146.214 29.769 1.00 0.00 O ATOM 0 H GLU B 180 112.340 142.311 32.483 1.00 0.00 H new ATOM 0 HA GLU B 180 109.561 142.736 32.521 1.00 0.00 H new ATOM 0 HB2 GLU B 180 111.591 142.352 30.272 1.00 0.00 H new ATOM 0 HB3 GLU B 180 109.921 142.794 29.974 1.00 0.00 H new ATOM 0 HG2 GLU B 180 110.163 144.827 31.369 1.00 0.00 H new ATOM 0 HG3 GLU B 180 111.791 144.361 31.821 1.00 0.00 H new ATOM 393 N VAL B 181 110.548 139.806 31.362 1.00 0.00 N ATOM 394 CA VAL B 181 110.079 138.466 31.030 1.00 0.00 C ATOM 395 C VAL B 181 109.302 137.869 32.202 1.00 0.00 C ATOM 396 O VAL B 181 108.256 137.247 32.012 1.00 0.00 O ATOM 397 CB VAL B 181 111.267 137.565 30.692 1.00 0.00 C ATOM 398 CG1 VAL B 181 110.793 136.115 30.568 1.00 0.00 C ATOM 399 CG2 VAL B 181 111.883 138.015 29.364 1.00 0.00 C ATOM 0 H VAL B 181 111.562 139.917 31.349 1.00 0.00 H new ATOM 0 HA VAL B 181 109.419 138.534 30.165 1.00 0.00 H new ATOM 0 HB VAL B 181 112.013 137.635 31.484 1.00 0.00 H new ATOM 0 HG11 VAL B 181 111.641 135.474 30.327 1.00 0.00 H new ATOM 0 HG12 VAL B 181 110.353 135.794 31.512 1.00 0.00 H new ATOM 0 HG13 VAL B 181 110.047 136.042 29.776 1.00 0.00 H new ATOM 0 HG21 VAL B 181 112.730 137.374 29.120 1.00 0.00 H new ATOM 0 HG22 VAL B 181 111.136 137.944 28.574 1.00 0.00 H new ATOM 0 HG23 VAL B 181 112.222 139.047 29.451 1.00 0.00 H new ATOM 409 N LYS B 182 109.824 138.057 33.408 1.00 0.00 N ATOM 410 CA LYS B 182 109.172 137.531 34.602 1.00 0.00 C ATOM 411 C LYS B 182 107.810 138.187 34.802 1.00 0.00 C ATOM 412 O LYS B 182 106.844 137.530 35.193 1.00 0.00 O ATOM 413 CB LYS B 182 110.049 137.780 35.831 1.00 0.00 C ATOM 414 CG LYS B 182 109.401 137.140 37.060 1.00 0.00 C ATOM 415 CD LYS B 182 110.314 137.325 38.273 1.00 0.00 C ATOM 416 CE LYS B 182 109.697 136.631 39.488 1.00 0.00 C ATOM 417 NZ LYS B 182 108.398 137.279 39.824 1.00 0.00 N ATOM 0 H LYS B 182 110.690 138.566 33.585 1.00 0.00 H new ATOM 0 HA LYS B 182 109.029 136.458 34.472 1.00 0.00 H new ATOM 0 HB2 LYS B 182 111.043 137.362 35.672 1.00 0.00 H new ATOM 0 HB3 LYS B 182 110.175 138.851 35.990 1.00 0.00 H new ATOM 0 HG2 LYS B 182 108.429 137.595 37.250 1.00 0.00 H new ATOM 0 HG3 LYS B 182 109.227 136.079 36.881 1.00 0.00 H new ATOM 0 HD2 LYS B 182 111.300 136.909 38.066 1.00 0.00 H new ATOM 0 HD3 LYS B 182 110.452 138.386 38.479 1.00 0.00 H new ATOM 0 HE2 LYS B 182 109.544 135.573 39.277 1.00 0.00 H new ATOM 0 HE3 LYS B 182 110.376 136.691 40.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 182 108.397 137.555 40.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 182 108.268 138.124 39.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 182 107.621 136.611 39.648 1.00 0.00 H new ATOM 431 N ASN B 183 107.741 139.489 34.535 1.00 0.00 N ATOM 432 CA ASN B 183 106.493 140.225 34.701 1.00 0.00 C ATOM 433 C ASN B 183 105.398 139.627 33.823 1.00 0.00 C ATOM 434 O ASN B 183 104.286 139.375 34.289 1.00 0.00 O ATOM 435 CB ASN B 183 106.703 141.694 34.324 1.00 0.00 C ATOM 436 CG ASN B 183 107.560 142.385 35.380 1.00 0.00 C ATOM 437 OD1 ASN B 183 107.664 141.904 36.508 1.00 0.00 O ATOM 438 ND2 ASN B 183 108.184 143.491 35.078 1.00 0.00 N ATOM 0 H ASN B 183 108.527 140.050 34.206 1.00 0.00 H new ATOM 0 HA ASN B 183 106.186 140.155 35.745 1.00 0.00 H new ATOM 0 HB2 ASN B 183 107.186 141.763 33.349 1.00 0.00 H new ATOM 0 HB3 ASN B 183 105.740 142.198 34.238 1.00 0.00 H new ATOM 0 HD21 ASN B 183 108.760 143.959 35.778 1.00 0.00 H new ATOM 0 HD22 ASN B 183 108.096 143.887 34.142 1.00 0.00 H new ATOM 445 N TRP B 184 105.720 139.399 32.555 1.00 0.00 N ATOM 446 CA TRP B 184 104.760 138.812 31.627 1.00 0.00 C ATOM 447 C TRP B 184 104.506 137.347 31.970 1.00 0.00 C ATOM 448 O TRP B 184 103.365 136.890 31.973 1.00 0.00 O ATOM 449 CB TRP B 184 105.286 138.919 30.194 1.00 0.00 C ATOM 450 CG TRP B 184 104.493 138.020 29.300 1.00 0.00 C ATOM 451 CD1 TRP B 184 103.410 138.390 28.586 1.00 0.00 C ATOM 452 CD2 TRP B 184 104.699 136.602 29.026 1.00 0.00 C ATOM 453 NE1 TRP B 184 102.940 137.297 27.880 1.00 0.00 N ATOM 454 CE2 TRP B 184 103.701 136.170 28.120 1.00 0.00 C ATOM 455 CE3 TRP B 184 105.647 135.662 29.464 1.00 0.00 C ATOM 456 CZ2 TRP B 184 103.644 134.851 27.669 1.00 0.00 C ATOM 457 CZ3 TRP B 184 105.593 134.333 29.014 1.00 0.00 C ATOM 458 CH2 TRP B 184 104.593 133.929 28.117 1.00 0.00 C ATOM 0 H TRP B 184 106.631 139.610 32.148 1.00 0.00 H new ATOM 0 HA TRP B 184 103.821 139.360 31.712 1.00 0.00 H new ATOM 0 HB2 TRP B 184 105.215 139.949 29.846 1.00 0.00 H new ATOM 0 HB3 TRP B 184 106.340 138.643 30.161 1.00 0.00 H new ATOM 0 HD1 TRP B 184 102.979 139.380 28.568 1.00 0.00 H new ATOM 0 HE1 TRP B 184 102.131 137.321 27.259 1.00 0.00 H new ATOM 0 HE3 TRP B 184 106.423 135.964 30.152 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 102.872 134.545 26.979 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 106.325 133.618 29.360 1.00 0.00 H new ATOM 0 HH2 TRP B 184 104.557 132.906 27.773 1.00 0.00 H new ATOM 469 N MET B 185 105.582 136.619 32.260 1.00 0.00 N ATOM 470 CA MET B 185 105.463 135.199 32.559 1.00 0.00 C ATOM 471 C MET B 185 104.485 134.969 33.706 1.00 0.00 C ATOM 472 O MET B 185 103.554 134.173 33.587 1.00 0.00 O ATOM 473 CB MET B 185 106.837 134.634 32.944 1.00 0.00 C ATOM 474 CG MET B 185 106.742 133.114 33.092 1.00 0.00 C ATOM 475 SD MET B 185 108.407 132.414 33.195 1.00 0.00 S ATOM 476 CE MET B 185 108.904 132.763 31.490 1.00 0.00 C ATOM 0 H MET B 185 106.533 136.985 32.294 1.00 0.00 H new ATOM 0 HA MET B 185 105.089 134.691 31.670 1.00 0.00 H new ATOM 0 HB2 MET B 185 107.574 134.890 32.182 1.00 0.00 H new ATOM 0 HB3 MET B 185 107.176 135.080 33.879 1.00 0.00 H new ATOM 0 HG2 MET B 185 106.173 132.860 33.986 1.00 0.00 H new ATOM 0 HG3 MET B 185 106.208 132.688 32.243 1.00 0.00 H new ATOM 0 HE1 MET B 185 109.602 131.998 31.151 1.00 0.00 H new ATOM 0 HE2 MET B 185 108.024 132.762 30.847 1.00 0.00 H new ATOM 0 HE3 MET B 185 109.386 133.740 31.444 1.00 0.00 H new ATOM 486 N THR B 186 104.694 135.679 34.809 1.00 0.00 N ATOM 487 CA THR B 186 103.841 135.516 35.977 1.00 0.00 C ATOM 488 C THR B 186 102.490 136.184 35.763 1.00 0.00 C ATOM 489 O THR B 186 101.444 135.553 35.907 1.00 0.00 O ATOM 490 CB THR B 186 104.522 136.129 37.208 1.00 0.00 C ATOM 491 OG1 THR B 186 104.763 137.510 36.973 1.00 0.00 O ATOM 492 CG2 THR B 186 105.849 135.414 37.470 1.00 0.00 C ATOM 0 H THR B 186 105.440 136.366 34.918 1.00 0.00 H new ATOM 0 HA THR B 186 103.681 134.449 36.135 1.00 0.00 H new ATOM 0 HB THR B 186 103.874 136.015 38.077 1.00 0.00 H new ATOM 0 HG1 THR B 186 105.553 137.612 36.403 1.00 0.00 H new ATOM 0 HG21 THR B 186 106.331 135.851 38.345 1.00 0.00 H new ATOM 0 HG22 THR B 186 105.663 134.355 37.649 1.00 0.00 H new ATOM 0 HG23 THR B 186 106.500 135.526 36.603 1.00 0.00 H new ATOM 500 N GLU B 187 102.520 137.464 35.404 1.00 0.00 N ATOM 501 CA GLU B 187 101.288 138.220 35.232 1.00 0.00 C ATOM 502 C GLU B 187 100.316 137.479 34.325 1.00 0.00 C ATOM 503 O GLU B 187 99.191 137.169 34.723 1.00 0.00 O ATOM 504 CB GLU B 187 101.602 139.595 34.626 1.00 0.00 C ATOM 505 CG GLU B 187 100.315 140.416 34.522 1.00 0.00 C ATOM 506 CD GLU B 187 99.735 140.654 35.911 1.00 0.00 C ATOM 507 OE1 GLU B 187 98.958 139.825 36.358 1.00 0.00 O ATOM 508 OE2 GLU B 187 100.074 141.661 36.509 1.00 0.00 O ATOM 0 H GLU B 187 103.374 137.993 35.229 1.00 0.00 H new ATOM 0 HA GLU B 187 100.825 138.344 36.211 1.00 0.00 H new ATOM 0 HB2 GLU B 187 102.330 140.119 35.245 1.00 0.00 H new ATOM 0 HB3 GLU B 187 102.050 139.475 33.639 1.00 0.00 H new ATOM 0 HG2 GLU B 187 100.521 141.370 34.036 1.00 0.00 H new ATOM 0 HG3 GLU B 187 99.589 139.892 33.901 1.00 0.00 H new ATOM 515 N THR B 188 100.757 137.190 33.104 1.00 0.00 N ATOM 516 CA THR B 188 99.886 136.557 32.125 1.00 0.00 C ATOM 517 C THR B 188 99.499 135.153 32.561 1.00 0.00 C ATOM 518 O THR B 188 98.319 134.803 32.593 1.00 0.00 O ATOM 519 CB THR B 188 100.593 136.493 30.764 1.00 0.00 C ATOM 520 OG1 THR B 188 101.783 135.728 30.890 1.00 0.00 O ATOM 521 CG2 THR B 188 100.940 137.908 30.296 1.00 0.00 C ATOM 0 H THR B 188 101.703 137.382 32.773 1.00 0.00 H new ATOM 0 HA THR B 188 98.978 137.155 32.043 1.00 0.00 H new ATOM 0 HB THR B 188 99.933 136.026 30.033 1.00 0.00 H new ATOM 0 HG1 THR B 188 102.522 136.314 31.157 1.00 0.00 H new ATOM 0 HG21 THR B 188 101.442 137.859 29.330 1.00 0.00 H new ATOM 0 HG22 THR B 188 100.026 138.494 30.201 1.00 0.00 H new ATOM 0 HG23 THR B 188 101.600 138.380 31.024 1.00 0.00 H new ATOM 529 N LEU B 189 100.501 134.351 32.906 1.00 0.00 N ATOM 530 CA LEU B 189 100.261 132.966 33.296 1.00 0.00 C ATOM 531 C LEU B 189 99.488 132.904 34.608 1.00 0.00 C ATOM 532 O LEU B 189 98.679 132.000 34.822 1.00 0.00 O ATOM 533 CB LEU B 189 101.591 132.227 33.445 1.00 0.00 C ATOM 534 CG LEU B 189 102.357 132.283 32.121 1.00 0.00 C ATOM 535 CD1 LEU B 189 103.707 131.577 32.285 1.00 0.00 C ATOM 536 CD2 LEU B 189 101.546 131.580 31.030 1.00 0.00 C ATOM 0 H LEU B 189 101.481 134.634 32.924 1.00 0.00 H new ATOM 0 HA LEU B 189 99.667 132.487 32.518 1.00 0.00 H new ATOM 0 HB2 LEU B 189 102.184 132.680 34.240 1.00 0.00 H new ATOM 0 HB3 LEU B 189 101.413 131.190 33.731 1.00 0.00 H new ATOM 0 HG LEU B 189 102.519 133.323 31.839 1.00 0.00 H new ATOM 0 HD11 LEU B 189 104.255 131.616 31.343 1.00 0.00 H new ATOM 0 HD12 LEU B 189 104.286 132.076 33.062 1.00 0.00 H new ATOM 0 HD13 LEU B 189 103.542 130.537 32.566 1.00 0.00 H new ATOM 0 HD21 LEU B 189 102.092 131.620 30.088 1.00 0.00 H new ATOM 0 HD22 LEU B 189 101.383 130.539 31.311 1.00 0.00 H new ATOM 0 HD23 LEU B 189 100.584 132.079 30.913 1.00 0.00 H new ATOM 548 N LEU B 190 99.744 133.870 35.483 1.00 0.00 N ATOM 549 CA LEU B 190 99.051 133.927 36.767 1.00 0.00 C ATOM 550 C LEU B 190 97.542 134.006 36.552 1.00 0.00 C ATOM 551 O LEU B 190 96.778 133.273 37.183 1.00 0.00 O ATOM 552 CB LEU B 190 99.521 135.149 37.558 1.00 0.00 C ATOM 553 CG LEU B 190 98.676 135.291 38.826 1.00 0.00 C ATOM 554 CD1 LEU B 190 98.783 134.014 39.659 1.00 0.00 C ATOM 555 CD2 LEU B 190 99.186 136.479 39.645 1.00 0.00 C ATOM 0 H LEU B 190 100.420 134.619 35.330 1.00 0.00 H new ATOM 0 HA LEU B 190 99.282 133.022 37.328 1.00 0.00 H new ATOM 0 HB2 LEU B 190 100.574 135.043 37.820 1.00 0.00 H new ATOM 0 HB3 LEU B 190 99.433 136.047 36.947 1.00 0.00 H new ATOM 0 HG LEU B 190 97.634 135.457 38.552 1.00 0.00 H new ATOM 0 HD11 LEU B 190 98.181 134.117 40.562 1.00 0.00 H new ATOM 0 HD12 LEU B 190 98.421 133.168 39.076 1.00 0.00 H new ATOM 0 HD13 LEU B 190 99.824 133.846 39.935 1.00 0.00 H new ATOM 0 HD21 LEU B 190 98.586 136.582 40.549 1.00 0.00 H new ATOM 0 HD22 LEU B 190 100.228 136.312 39.918 1.00 0.00 H new ATOM 0 HD23 LEU B 190 99.108 137.390 39.052 1.00 0.00 H new ATOM 567 N VAL B 191 97.120 134.899 35.665 1.00 0.00 N ATOM 568 CA VAL B 191 95.701 135.053 35.364 1.00 0.00 C ATOM 569 C VAL B 191 95.154 133.784 34.714 1.00 0.00 C ATOM 570 O VAL B 191 94.041 133.351 35.016 1.00 0.00 O ATOM 571 CB VAL B 191 95.490 136.240 34.426 1.00 0.00 C ATOM 572 CG1 VAL B 191 94.031 136.277 33.966 1.00 0.00 C ATOM 573 CG2 VAL B 191 95.821 137.538 35.167 1.00 0.00 C ATOM 0 H VAL B 191 97.735 135.524 35.144 1.00 0.00 H new ATOM 0 HA VAL B 191 95.167 135.232 36.297 1.00 0.00 H new ATOM 0 HB VAL B 191 96.142 136.137 33.558 1.00 0.00 H new ATOM 0 HG11 VAL B 191 93.882 137.124 33.297 1.00 0.00 H new ATOM 0 HG12 VAL B 191 93.792 135.353 33.440 1.00 0.00 H new ATOM 0 HG13 VAL B 191 93.379 136.380 34.833 1.00 0.00 H new ATOM 0 HG21 VAL B 191 95.671 138.386 34.499 1.00 0.00 H new ATOM 0 HG22 VAL B 191 95.168 137.639 36.034 1.00 0.00 H new ATOM 0 HG23 VAL B 191 96.860 137.514 35.496 1.00 0.00 H new ATOM 583 N GLN B 192 95.942 133.196 33.820 1.00 0.00 N ATOM 584 CA GLN B 192 95.523 131.981 33.130 1.00 0.00 C ATOM 585 C GLN B 192 95.279 130.855 34.128 1.00 0.00 C ATOM 586 O GLN B 192 94.313 130.100 34.006 1.00 0.00 O ATOM 587 CB GLN B 192 96.597 131.553 32.128 1.00 0.00 C ATOM 588 CG GLN B 192 96.094 130.356 31.321 1.00 0.00 C ATOM 589 CD GLN B 192 97.120 129.976 30.257 1.00 0.00 C ATOM 590 OE1 GLN B 192 98.159 130.623 30.138 1.00 0.00 O ATOM 591 NE2 GLN B 192 96.886 128.961 29.472 1.00 0.00 N ATOM 0 H GLN B 192 96.867 133.537 33.558 1.00 0.00 H new ATOM 0 HA GLN B 192 94.594 132.189 32.600 1.00 0.00 H new ATOM 0 HB2 GLN B 192 96.837 132.380 31.460 1.00 0.00 H new ATOM 0 HB3 GLN B 192 97.516 131.291 32.653 1.00 0.00 H new ATOM 0 HG2 GLN B 192 95.915 129.509 31.984 1.00 0.00 H new ATOM 0 HG3 GLN B 192 95.142 130.599 30.849 1.00 0.00 H new ATOM 0 HE21 GLN B 192 96.023 128.426 29.573 1.00 0.00 H new ATOM 0 HE22 GLN B 192 97.566 128.702 28.757 1.00 0.00 H new ATOM 600 N ASN B 193 96.160 130.747 35.118 1.00 0.00 N ATOM 601 CA ASN B 193 96.029 129.710 36.136 1.00 0.00 C ATOM 602 C ASN B 193 95.538 130.309 37.450 1.00 0.00 C ATOM 603 O ASN B 193 95.145 129.545 38.317 1.00 0.00 O ATOM 604 CB ASN B 193 97.378 129.022 36.358 1.00 0.00 C ATOM 605 CG ASN B 193 98.380 130.014 36.938 1.00 0.00 C ATOM 606 OD1 ASN B 193 97.998 131.099 37.377 1.00 0.00 O ATOM 607 ND2 ASN B 193 99.647 129.707 36.965 1.00 0.00 N ATOM 0 H ASN B 193 96.967 131.360 35.237 1.00 0.00 H new ATOM 0 HA ASN B 193 95.301 128.977 35.790 1.00 0.00 H new ATOM 0 HB2 ASN B 193 97.257 128.176 37.035 1.00 0.00 H new ATOM 0 HB3 ASN B 193 97.752 128.624 35.415 1.00 0.00 H new ATOM 0 HD21 ASN B 193 100.323 130.366 37.350 1.00 0.00 H new ATOM 0 HD22 ASN B 193 99.962 128.808 36.601 1.00 0.00 H new TER 614 ASN B 193