USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=8 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 X(o=0,f=-0.00047) USER MOD Single : A 178 SER OG : rot 121:sc= -2.3! USER MOD Single : A 179 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc=-0.00251 K(o=-0.0025,f=-1.2!) USER MOD Single : A 185 MET CE :methyl -175:sc= -2.58 (180deg=-2.91) USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 188 THR OG1 : rot 168:sc= -0.666! USER MOD Single : A 192 GLN : amide:sc=-0.00894 K(o=-0.0089,f=-1.3!) USER MOD Single : A 193 ASN : amide:sc= -0.0357 K(o=-0.036,f=-2!) USER MOD Single : B 176 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 178 SER OG : rot 170:sc= -2.16! USER MOD Single : B 179 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.24) USER MOD Single : B 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 ASN : amide:sc=-0.00813 K(o=-0.0081,f=-1.2!) USER MOD Single : B 185 MET CE :methyl -169:sc= -2.56 (180deg=-2.92) USER MOD Single : B 186 THR OG1 : rot 180:sc= -0.162 USER MOD Single : B 188 THR OG1 : rot -180:sc= -0.0763! USER MOD Single : B 192 GLN : amide:sc=-0.00403 K(o=-0.004,f=-1.4!) USER MOD Single : B 193 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 175 100.224 144.273 29.404 1.00 0.00 N ATOM 2 CA GLU A 175 101.271 143.315 28.949 1.00 0.00 C ATOM 3 C GLU A 175 102.117 143.968 27.866 1.00 0.00 C ATOM 4 O GLU A 175 101.793 145.052 27.380 1.00 0.00 O ATOM 5 CB GLU A 175 100.597 142.056 28.398 1.00 0.00 C ATOM 6 CG GLU A 175 99.939 141.285 29.547 1.00 0.00 C ATOM 7 CD GLU A 175 98.629 141.958 29.943 1.00 0.00 C ATOM 8 OE1 GLU A 175 98.212 142.863 29.239 1.00 0.00 O ATOM 9 OE2 GLU A 175 98.065 141.565 30.949 1.00 0.00 O ATOM 0 HA GLU A 175 101.913 143.042 29.787 1.00 0.00 H new ATOM 0 HB2 GLU A 175 99.849 142.327 27.653 1.00 0.00 H new ATOM 0 HB3 GLU A 175 101.332 141.426 27.897 1.00 0.00 H new ATOM 0 HG2 GLU A 175 99.751 140.255 29.244 1.00 0.00 H new ATOM 0 HG3 GLU A 175 100.612 141.248 30.404 1.00 0.00 H new ATOM 16 N GLN A 176 103.204 143.303 27.487 1.00 0.00 N ATOM 17 CA GLN A 176 104.091 143.831 26.456 1.00 0.00 C ATOM 18 C GLN A 176 104.795 142.695 25.731 1.00 0.00 C ATOM 19 O GLN A 176 104.888 141.579 26.244 1.00 0.00 O ATOM 20 CB GLN A 176 105.128 144.761 27.085 1.00 0.00 C ATOM 21 CG GLN A 176 105.984 143.975 28.080 1.00 0.00 C ATOM 22 CD GLN A 176 106.921 144.922 28.822 1.00 0.00 C ATOM 23 OE1 GLN A 176 107.673 145.669 28.197 1.00 0.00 O ATOM 24 NE2 GLN A 176 106.919 144.934 30.127 1.00 0.00 N ATOM 0 H GLN A 176 103.490 142.404 27.875 1.00 0.00 H new ATOM 0 HA GLN A 176 103.493 144.392 25.737 1.00 0.00 H new ATOM 0 HB2 GLN A 176 105.759 145.196 26.310 1.00 0.00 H new ATOM 0 HB3 GLN A 176 104.630 145.588 27.591 1.00 0.00 H new ATOM 0 HG2 GLN A 176 105.343 143.453 28.791 1.00 0.00 H new ATOM 0 HG3 GLN A 176 106.562 143.215 27.554 1.00 0.00 H new ATOM 0 HE21 GLN A 176 106.294 144.313 30.642 1.00 0.00 H new ATOM 0 HE22 GLN A 176 107.542 145.564 30.632 1.00 0.00 H new ATOM 33 N ALA A 177 105.295 142.982 24.530 1.00 0.00 N ATOM 34 CA ALA A 177 105.994 141.972 23.736 1.00 0.00 C ATOM 35 C ALA A 177 107.375 142.470 23.327 1.00 0.00 C ATOM 36 O ALA A 177 107.581 142.890 22.189 1.00 0.00 O ATOM 37 CB ALA A 177 105.176 141.641 22.486 1.00 0.00 C ATOM 0 H ALA A 177 105.230 143.899 24.088 1.00 0.00 H new ATOM 0 HA ALA A 177 106.113 141.075 24.344 1.00 0.00 H new ATOM 0 HB1 ALA A 177 105.700 140.888 21.897 1.00 0.00 H new ATOM 0 HB2 ALA A 177 104.200 141.256 22.781 1.00 0.00 H new ATOM 0 HB3 ALA A 177 105.044 142.543 21.888 1.00 0.00 H new ATOM 43 N SER A 178 108.318 142.418 24.263 1.00 0.00 N ATOM 44 CA SER A 178 109.679 142.862 23.988 1.00 0.00 C ATOM 45 C SER A 178 110.398 141.862 23.089 1.00 0.00 C ATOM 46 O SER A 178 109.954 140.725 22.928 1.00 0.00 O ATOM 47 CB SER A 178 110.451 143.022 25.296 1.00 0.00 C ATOM 48 OG SER A 178 110.680 141.742 25.863 1.00 0.00 O ATOM 0 H SER A 178 108.166 142.075 25.212 1.00 0.00 H new ATOM 0 HA SER A 178 109.630 143.823 23.476 1.00 0.00 H new ATOM 0 HB2 SER A 178 111.400 143.527 25.113 1.00 0.00 H new ATOM 0 HB3 SER A 178 109.888 143.645 25.991 1.00 0.00 H new ATOM 0 HG SER A 178 111.644 141.595 25.961 1.00 0.00 H new ATOM 54 N GLN A 179 111.508 142.295 22.501 1.00 0.00 N ATOM 55 CA GLN A 179 112.275 141.427 21.613 1.00 0.00 C ATOM 56 C GLN A 179 112.798 140.212 22.376 1.00 0.00 C ATOM 57 O GLN A 179 112.760 139.083 21.871 1.00 0.00 O ATOM 58 CB GLN A 179 113.454 142.202 21.017 1.00 0.00 C ATOM 59 CG GLN A 179 114.150 141.346 19.956 1.00 0.00 C ATOM 60 CD GLN A 179 113.201 141.082 18.792 1.00 0.00 C ATOM 61 OE1 GLN A 179 112.794 139.943 18.565 1.00 0.00 O ATOM 62 NE2 GLN A 179 112.814 142.077 18.041 1.00 0.00 N ATOM 0 H GLN A 179 111.894 143.231 22.621 1.00 0.00 H new ATOM 0 HA GLN A 179 111.620 141.087 20.811 1.00 0.00 H new ATOM 0 HB2 GLN A 179 113.102 143.134 20.573 1.00 0.00 H new ATOM 0 HB3 GLN A 179 114.160 142.470 21.803 1.00 0.00 H new ATOM 0 HG2 GLN A 179 115.045 141.854 19.598 1.00 0.00 H new ATOM 0 HG3 GLN A 179 114.473 140.401 20.394 1.00 0.00 H new ATOM 0 HE21 GLN A 179 113.152 143.020 18.230 1.00 0.00 H new ATOM 0 HE22 GLN A 179 112.173 141.911 17.265 1.00 0.00 H new ATOM 71 N GLU A 180 113.285 140.446 23.594 1.00 0.00 N ATOM 72 CA GLU A 180 113.813 139.357 24.413 1.00 0.00 C ATOM 73 C GLU A 180 112.714 138.343 24.725 1.00 0.00 C ATOM 74 O GLU A 180 112.935 137.125 24.660 1.00 0.00 O ATOM 75 CB GLU A 180 114.378 139.921 25.718 1.00 0.00 C ATOM 76 CG GLU A 180 115.655 140.714 25.422 1.00 0.00 C ATOM 77 CD GLU A 180 115.299 142.076 24.833 1.00 0.00 C ATOM 78 OE1 GLU A 180 114.137 142.444 24.894 1.00 0.00 O ATOM 79 OE2 GLU A 180 116.192 142.729 24.324 1.00 0.00 O ATOM 0 H GLU A 180 113.325 141.367 24.031 1.00 0.00 H new ATOM 0 HA GLU A 180 114.606 138.855 23.859 1.00 0.00 H new ATOM 0 HB2 GLU A 180 113.641 140.565 26.198 1.00 0.00 H new ATOM 0 HB3 GLU A 180 114.594 139.110 26.414 1.00 0.00 H new ATOM 0 HG2 GLU A 180 116.232 140.844 26.337 1.00 0.00 H new ATOM 0 HG3 GLU A 180 116.283 140.160 24.725 1.00 0.00 H new ATOM 86 N VAL A 181 111.526 138.850 25.047 1.00 0.00 N ATOM 87 CA VAL A 181 110.397 137.980 25.352 1.00 0.00 C ATOM 88 C VAL A 181 110.059 137.116 24.140 1.00 0.00 C ATOM 89 O VAL A 181 109.779 135.926 24.275 1.00 0.00 O ATOM 90 CB VAL A 181 109.180 138.821 25.744 1.00 0.00 C ATOM 91 CG1 VAL A 181 107.943 137.921 25.842 1.00 0.00 C ATOM 92 CG2 VAL A 181 109.438 139.485 27.101 1.00 0.00 C ATOM 0 H VAL A 181 111.323 139.848 25.103 1.00 0.00 H new ATOM 0 HA VAL A 181 110.667 137.332 26.186 1.00 0.00 H new ATOM 0 HB VAL A 181 109.009 139.588 24.988 1.00 0.00 H new ATOM 0 HG11 VAL A 181 107.077 138.522 26.121 1.00 0.00 H new ATOM 0 HG12 VAL A 181 107.760 137.447 24.877 1.00 0.00 H new ATOM 0 HG13 VAL A 181 108.111 137.153 26.597 1.00 0.00 H new ATOM 0 HG21 VAL A 181 108.573 140.085 27.383 1.00 0.00 H new ATOM 0 HG22 VAL A 181 109.608 138.717 27.855 1.00 0.00 H new ATOM 0 HG23 VAL A 181 110.317 140.126 27.031 1.00 0.00 H new ATOM 102 N LYS A 182 110.075 137.728 22.960 1.00 0.00 N ATOM 103 CA LYS A 182 109.761 137.005 21.733 1.00 0.00 C ATOM 104 C LYS A 182 110.760 135.873 21.520 1.00 0.00 C ATOM 105 O LYS A 182 110.383 134.773 21.096 1.00 0.00 O ATOM 106 CB LYS A 182 109.795 137.960 20.539 1.00 0.00 C ATOM 107 CG LYS A 182 109.406 137.203 19.267 1.00 0.00 C ATOM 108 CD LYS A 182 109.353 138.178 18.090 1.00 0.00 C ATOM 109 CE LYS A 182 108.973 137.421 16.816 1.00 0.00 C ATOM 110 NZ LYS A 182 108.888 138.376 15.677 1.00 0.00 N ATOM 0 H LYS A 182 110.300 138.714 22.828 1.00 0.00 H new ATOM 0 HA LYS A 182 108.761 136.582 21.822 1.00 0.00 H new ATOM 0 HB2 LYS A 182 109.109 138.790 20.705 1.00 0.00 H new ATOM 0 HB3 LYS A 182 110.792 138.387 20.430 1.00 0.00 H new ATOM 0 HG2 LYS A 182 110.129 136.412 19.066 1.00 0.00 H new ATOM 0 HG3 LYS A 182 108.437 136.722 19.399 1.00 0.00 H new ATOM 0 HD2 LYS A 182 108.625 138.965 18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 182 110.321 138.663 17.962 1.00 0.00 H new ATOM 0 HE2 LYS A 182 109.714 136.650 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 182 108.017 136.915 16.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 108.630 137.861 14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 108.165 139.096 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 109.810 138.839 15.543 1.00 0.00 H new ATOM 124 N ASN A 183 112.033 136.147 21.801 1.00 0.00 N ATOM 125 CA ASN A 183 113.077 135.140 21.615 1.00 0.00 C ATOM 126 C ASN A 183 112.777 133.898 22.450 1.00 0.00 C ATOM 127 O ASN A 183 112.793 132.776 21.939 1.00 0.00 O ATOM 128 CB ASN A 183 114.426 135.716 22.040 1.00 0.00 C ATOM 129 CG ASN A 183 115.542 134.745 21.678 1.00 0.00 C ATOM 130 OD1 ASN A 183 115.448 134.037 20.675 1.00 0.00 O ATOM 131 ND2 ASN A 183 116.601 134.668 22.438 1.00 0.00 N ATOM 0 H ASN A 183 112.364 137.045 22.154 1.00 0.00 H new ATOM 0 HA ASN A 183 113.107 134.861 20.562 1.00 0.00 H new ATOM 0 HB2 ASN A 183 114.593 136.675 21.549 1.00 0.00 H new ATOM 0 HB3 ASN A 183 114.429 135.903 23.114 1.00 0.00 H new ATOM 0 HD21 ASN A 183 117.353 134.020 22.201 1.00 0.00 H new ATOM 0 HD22 ASN A 183 116.677 135.256 23.268 1.00 0.00 H new ATOM 138 N TRP A 184 112.469 134.107 23.721 1.00 0.00 N ATOM 139 CA TRP A 184 112.121 132.998 24.599 1.00 0.00 C ATOM 140 C TRP A 184 110.776 132.391 24.204 1.00 0.00 C ATOM 141 O TRP A 184 110.624 131.173 24.170 1.00 0.00 O ATOM 142 CB TRP A 184 112.058 133.484 26.057 1.00 0.00 C ATOM 143 CG TRP A 184 111.366 132.464 26.914 1.00 0.00 C ATOM 144 CD1 TRP A 184 111.963 131.435 27.539 1.00 0.00 C ATOM 145 CD2 TRP A 184 109.944 132.333 27.188 1.00 0.00 C ATOM 146 NE1 TRP A 184 111.011 130.709 28.229 1.00 0.00 N ATOM 147 CE2 TRP A 184 109.747 131.212 28.029 1.00 0.00 C ATOM 148 CE3 TRP A 184 108.816 133.078 26.803 1.00 0.00 C ATOM 149 CZ2 TRP A 184 108.480 130.843 28.471 1.00 0.00 C ATOM 150 CZ3 TRP A 184 107.537 132.706 27.242 1.00 0.00 C ATOM 151 CH2 TRP A 184 107.369 131.590 28.075 1.00 0.00 C ATOM 0 H TRP A 184 112.452 135.025 24.165 1.00 0.00 H new ATOM 0 HA TRP A 184 112.890 132.232 24.501 1.00 0.00 H new ATOM 0 HB2 TRP A 184 113.066 133.662 26.433 1.00 0.00 H new ATOM 0 HB3 TRP A 184 111.526 134.434 26.109 1.00 0.00 H new ATOM 0 HD1 TRP A 184 113.019 131.211 27.507 1.00 0.00 H new ATOM 0 HE1 TRP A 184 111.220 129.900 28.814 1.00 0.00 H new ATOM 0 HE3 TRP A 184 108.935 133.942 26.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 184 108.357 129.985 29.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 184 106.676 133.282 26.937 1.00 0.00 H new ATOM 0 HH2 TRP A 184 106.381 131.309 28.410 1.00 0.00 H new ATOM 162 N MET A 185 109.797 133.251 23.948 1.00 0.00 N ATOM 163 CA MET A 185 108.460 132.783 23.631 1.00 0.00 C ATOM 164 C MET A 185 108.492 131.828 22.446 1.00 0.00 C ATOM 165 O MET A 185 107.944 130.734 22.508 1.00 0.00 O ATOM 166 CB MET A 185 107.565 133.979 23.287 1.00 0.00 C ATOM 167 CG MET A 185 106.101 133.530 23.230 1.00 0.00 C ATOM 168 SD MET A 185 105.022 134.966 23.442 1.00 0.00 S ATOM 169 CE MET A 185 105.126 135.054 25.249 1.00 0.00 C ATOM 0 H MET A 185 109.905 134.265 23.954 1.00 0.00 H new ATOM 0 HA MET A 185 108.063 132.257 24.499 1.00 0.00 H new ATOM 0 HB2 MET A 185 107.686 134.763 24.035 1.00 0.00 H new ATOM 0 HB3 MET A 185 107.862 134.404 22.328 1.00 0.00 H new ATOM 0 HG2 MET A 185 105.895 133.045 22.276 1.00 0.00 H new ATOM 0 HG3 MET A 185 105.904 132.795 24.011 1.00 0.00 H new ATOM 0 HE1 MET A 185 104.454 135.830 25.615 1.00 0.00 H new ATOM 0 HE2 MET A 185 104.839 134.094 25.677 1.00 0.00 H new ATOM 0 HE3 MET A 185 106.148 135.291 25.543 1.00 0.00 H new ATOM 179 N THR A 186 109.149 132.230 21.381 1.00 0.00 N ATOM 180 CA THR A 186 109.224 131.395 20.194 1.00 0.00 C ATOM 181 C THR A 186 110.192 130.241 20.385 1.00 0.00 C ATOM 182 O THR A 186 109.861 129.101 20.098 1.00 0.00 O ATOM 183 CB THR A 186 109.676 132.246 18.994 1.00 0.00 C ATOM 184 OG1 THR A 186 109.485 131.514 17.788 1.00 0.00 O ATOM 185 CG2 THR A 186 111.155 132.607 19.139 1.00 0.00 C ATOM 0 H THR A 186 109.637 133.123 21.308 1.00 0.00 H new ATOM 0 HA THR A 186 108.233 130.981 20.010 1.00 0.00 H new ATOM 0 HB THR A 186 109.083 133.160 18.964 1.00 0.00 H new ATOM 0 HG1 THR A 186 109.772 132.059 17.026 1.00 0.00 H new ATOM 0 HG21 THR A 186 111.468 133.209 18.286 1.00 0.00 H new ATOM 0 HG22 THR A 186 111.303 133.175 20.058 1.00 0.00 H new ATOM 0 HG23 THR A 186 111.750 131.695 19.177 1.00 0.00 H new ATOM 193 N GLU A 187 111.395 130.553 20.843 1.00 0.00 N ATOM 194 CA GLU A 187 112.414 129.533 21.004 1.00 0.00 C ATOM 195 C GLU A 187 111.988 128.463 21.994 1.00 0.00 C ATOM 196 O GLU A 187 112.029 127.260 21.684 1.00 0.00 O ATOM 197 CB GLU A 187 113.717 130.182 21.497 1.00 0.00 C ATOM 198 CG GLU A 187 114.816 129.119 21.613 1.00 0.00 C ATOM 199 CD GLU A 187 116.147 129.775 21.973 1.00 0.00 C ATOM 200 OE1 GLU A 187 116.187 130.992 22.037 1.00 0.00 O ATOM 201 OE2 GLU A 187 117.105 129.047 22.181 1.00 0.00 O ATOM 0 H GLU A 187 111.685 131.495 21.107 1.00 0.00 H new ATOM 0 HA GLU A 187 112.566 129.059 20.034 1.00 0.00 H new ATOM 0 HB2 GLU A 187 114.028 130.965 20.806 1.00 0.00 H new ATOM 0 HB3 GLU A 187 113.554 130.657 22.465 1.00 0.00 H new ATOM 0 HG2 GLU A 187 114.545 128.387 22.374 1.00 0.00 H new ATOM 0 HG3 GLU A 187 114.911 128.579 20.671 1.00 0.00 H new ATOM 208 N THR A 188 111.580 128.895 23.177 1.00 0.00 N ATOM 209 CA THR A 188 111.183 127.956 24.214 1.00 0.00 C ATOM 210 C THR A 188 109.961 127.148 23.793 1.00 0.00 C ATOM 211 O THR A 188 109.944 125.915 23.913 1.00 0.00 O ATOM 212 CB THR A 188 110.864 128.715 25.505 1.00 0.00 C ATOM 213 OG1 THR A 188 112.005 129.464 25.907 1.00 0.00 O ATOM 214 CG2 THR A 188 110.508 127.722 26.615 1.00 0.00 C ATOM 0 H THR A 188 111.515 129.878 23.441 1.00 0.00 H new ATOM 0 HA THR A 188 112.012 127.268 24.378 1.00 0.00 H new ATOM 0 HB THR A 188 110.022 129.384 25.327 1.00 0.00 H new ATOM 0 HG1 THR A 188 111.752 130.089 26.619 1.00 0.00 H new ATOM 0 HG21 THR A 188 110.282 128.267 27.532 1.00 0.00 H new ATOM 0 HG22 THR A 188 109.638 127.138 26.316 1.00 0.00 H new ATOM 0 HG23 THR A 188 111.351 127.053 26.789 1.00 0.00 H new ATOM 222 N LEU A 189 108.939 127.850 23.307 1.00 0.00 N ATOM 223 CA LEU A 189 107.709 127.188 22.892 1.00 0.00 C ATOM 224 C LEU A 189 107.948 126.315 21.670 1.00 0.00 C ATOM 225 O LEU A 189 107.339 125.246 21.531 1.00 0.00 O ATOM 226 CB LEU A 189 106.639 128.233 22.593 1.00 0.00 C ATOM 227 CG LEU A 189 106.354 129.053 23.865 1.00 0.00 C ATOM 228 CD1 LEU A 189 105.308 130.128 23.541 1.00 0.00 C ATOM 229 CD2 LEU A 189 105.803 128.128 24.962 1.00 0.00 C ATOM 0 H LEU A 189 108.939 128.864 23.193 1.00 0.00 H new ATOM 0 HA LEU A 189 107.368 126.546 23.704 1.00 0.00 H new ATOM 0 HB2 LEU A 189 106.972 128.891 21.790 1.00 0.00 H new ATOM 0 HB3 LEU A 189 105.726 127.747 22.249 1.00 0.00 H new ATOM 0 HG LEU A 189 107.275 129.520 24.213 1.00 0.00 H new ATOM 0 HD11 LEU A 189 105.099 130.714 24.436 1.00 0.00 H new ATOM 0 HD12 LEU A 189 105.690 130.784 22.759 1.00 0.00 H new ATOM 0 HD13 LEU A 189 104.390 129.651 23.198 1.00 0.00 H new ATOM 0 HD21 LEU A 189 105.602 128.710 25.861 1.00 0.00 H new ATOM 0 HD22 LEU A 189 104.880 127.663 24.616 1.00 0.00 H new ATOM 0 HD23 LEU A 189 106.536 127.354 25.187 1.00 0.00 H new ATOM 241 N LEU A 190 108.832 126.770 20.792 1.00 0.00 N ATOM 242 CA LEU A 190 109.143 126.011 19.588 1.00 0.00 C ATOM 243 C LEU A 190 109.598 124.603 19.947 1.00 0.00 C ATOM 244 O LEU A 190 109.115 123.620 19.376 1.00 0.00 O ATOM 245 CB LEU A 190 110.250 126.725 18.798 1.00 0.00 C ATOM 246 CG LEU A 190 109.623 127.726 17.819 1.00 0.00 C ATOM 247 CD1 LEU A 190 110.682 128.724 17.353 1.00 0.00 C ATOM 248 CD2 LEU A 190 109.069 126.962 16.603 1.00 0.00 C ATOM 0 H LEU A 190 109.340 127.649 20.888 1.00 0.00 H new ATOM 0 HA LEU A 190 108.243 125.943 18.976 1.00 0.00 H new ATOM 0 HB2 LEU A 190 110.922 127.243 19.482 1.00 0.00 H new ATOM 0 HB3 LEU A 190 110.850 125.996 18.253 1.00 0.00 H new ATOM 0 HG LEU A 190 108.816 128.265 18.316 1.00 0.00 H new ATOM 0 HD11 LEU A 190 110.233 129.433 16.658 1.00 0.00 H new ATOM 0 HD12 LEU A 190 111.079 129.262 18.214 1.00 0.00 H new ATOM 0 HD13 LEU A 190 111.491 128.190 16.854 1.00 0.00 H new ATOM 0 HD21 LEU A 190 108.622 127.668 15.903 1.00 0.00 H new ATOM 0 HD22 LEU A 190 109.880 126.426 16.110 1.00 0.00 H new ATOM 0 HD23 LEU A 190 108.312 126.251 16.934 1.00 0.00 H new ATOM 260 N VAL A 191 110.526 124.512 20.898 1.00 0.00 N ATOM 261 CA VAL A 191 111.029 123.211 21.328 1.00 0.00 C ATOM 262 C VAL A 191 109.900 122.391 21.955 1.00 0.00 C ATOM 263 O VAL A 191 109.761 121.193 21.686 1.00 0.00 O ATOM 264 CB VAL A 191 112.158 123.399 22.343 1.00 0.00 C ATOM 265 CG1 VAL A 191 112.540 122.044 22.942 1.00 0.00 C ATOM 266 CG2 VAL A 191 113.372 124.007 21.639 1.00 0.00 C ATOM 0 H VAL A 191 110.939 125.311 21.379 1.00 0.00 H new ATOM 0 HA VAL A 191 111.414 122.677 20.459 1.00 0.00 H new ATOM 0 HB VAL A 191 111.826 124.064 23.140 1.00 0.00 H new ATOM 0 HG11 VAL A 191 113.344 122.180 23.665 1.00 0.00 H new ATOM 0 HG12 VAL A 191 111.674 121.609 23.440 1.00 0.00 H new ATOM 0 HG13 VAL A 191 112.874 121.376 22.148 1.00 0.00 H new ATOM 0 HG21 VAL A 191 114.179 124.143 22.358 1.00 0.00 H new ATOM 0 HG22 VAL A 191 113.703 123.340 20.843 1.00 0.00 H new ATOM 0 HG23 VAL A 191 113.100 124.972 21.213 1.00 0.00 H new ATOM 276 N GLN A 192 109.102 123.044 22.799 1.00 0.00 N ATOM 277 CA GLN A 192 107.991 122.364 23.459 1.00 0.00 C ATOM 278 C GLN A 192 106.988 121.866 22.426 1.00 0.00 C ATOM 279 O GLN A 192 106.460 120.756 22.536 1.00 0.00 O ATOM 280 CB GLN A 192 107.298 123.319 24.430 1.00 0.00 C ATOM 281 CG GLN A 192 106.175 122.580 25.160 1.00 0.00 C ATOM 282 CD GLN A 192 105.543 123.494 26.204 1.00 0.00 C ATOM 283 OE1 GLN A 192 106.173 124.450 26.658 1.00 0.00 O ATOM 284 NE2 GLN A 192 104.326 123.260 26.611 1.00 0.00 N ATOM 0 H GLN A 192 109.202 124.030 23.039 1.00 0.00 H new ATOM 0 HA GLN A 192 108.383 121.510 24.012 1.00 0.00 H new ATOM 0 HB2 GLN A 192 108.018 123.709 25.149 1.00 0.00 H new ATOM 0 HB3 GLN A 192 106.893 124.174 23.889 1.00 0.00 H new ATOM 0 HG2 GLN A 192 105.419 122.253 24.446 1.00 0.00 H new ATOM 0 HG3 GLN A 192 106.569 121.684 25.640 1.00 0.00 H new ATOM 0 HE21 GLN A 192 103.806 122.468 26.234 1.00 0.00 H new ATOM 0 HE22 GLN A 192 103.895 123.869 27.306 1.00 0.00 H new ATOM 293 N ASN A 193 106.718 122.697 21.420 1.00 0.00 N ATOM 294 CA ASN A 193 105.765 122.334 20.374 1.00 0.00 C ATOM 295 C ASN A 193 106.489 121.684 19.198 1.00 0.00 C ATOM 296 O ASN A 193 106.847 122.402 18.279 1.00 0.00 O ATOM 297 CB ASN A 193 105.018 123.578 19.893 1.00 0.00 C ATOM 298 CG ASN A 193 104.051 124.055 20.972 1.00 0.00 C ATOM 299 OD1 ASN A 193 103.705 123.293 21.877 1.00 0.00 O ATOM 300 ND2 ASN A 193 103.589 125.274 20.929 1.00 0.00 N ATOM 0 H ASN A 193 107.142 123.618 21.308 1.00 0.00 H new ATOM 0 HA ASN A 193 105.051 121.622 20.787 1.00 0.00 H new ATOM 0 HB2 ASN A 193 105.728 124.369 19.654 1.00 0.00 H new ATOM 0 HB3 ASN A 193 104.472 123.353 18.977 1.00 0.00 H new ATOM 0 HD21 ASN A 193 102.940 125.599 21.645 1.00 0.00 H new ATOM 0 HD22 ASN A 193 103.877 125.902 20.179 1.00 0.00 H new TER 307 ASN A 193 ATOM 308 N GLU B 175 118.103 130.216 27.558 1.00 0.00 N ATOM 309 CA GLU B 175 116.785 130.537 28.176 1.00 0.00 C ATOM 310 C GLU B 175 116.995 131.514 29.328 1.00 0.00 C ATOM 311 O GLU B 175 116.919 131.136 30.498 1.00 0.00 O ATOM 312 CB GLU B 175 116.141 129.250 28.695 1.00 0.00 C ATOM 313 CG GLU B 175 116.163 128.188 27.593 1.00 0.00 C ATOM 314 CD GLU B 175 115.341 128.658 26.397 1.00 0.00 C ATOM 315 OE1 GLU B 175 114.460 129.478 26.595 1.00 0.00 O ATOM 316 OE2 GLU B 175 115.610 128.193 25.301 1.00 0.00 O ATOM 0 HA GLU B 175 116.129 130.991 27.433 1.00 0.00 H new ATOM 0 HB2 GLU B 175 116.678 128.890 29.572 1.00 0.00 H new ATOM 0 HB3 GLU B 175 115.115 129.444 29.007 1.00 0.00 H new ATOM 0 HG2 GLU B 175 117.190 127.994 27.285 1.00 0.00 H new ATOM 0 HG3 GLU B 175 115.762 127.249 27.974 1.00 0.00 H new ATOM 323 N GLN B 176 117.263 132.771 28.990 1.00 0.00 N ATOM 324 CA GLN B 176 117.486 133.794 30.004 1.00 0.00 C ATOM 325 C GLN B 176 116.170 134.199 30.649 1.00 0.00 C ATOM 326 O GLN B 176 115.107 134.090 30.037 1.00 0.00 O ATOM 327 CB GLN B 176 118.147 135.020 29.374 1.00 0.00 C ATOM 328 CG GLN B 176 117.244 135.582 28.274 1.00 0.00 C ATOM 329 CD GLN B 176 117.927 136.760 27.591 1.00 0.00 C ATOM 330 OE1 GLN B 176 118.329 137.716 28.254 1.00 0.00 O ATOM 331 NE2 GLN B 176 118.079 136.752 26.295 1.00 0.00 N ATOM 0 H GLN B 176 117.331 133.104 28.028 1.00 0.00 H new ATOM 0 HA GLN B 176 118.143 133.383 30.770 1.00 0.00 H new ATOM 0 HB2 GLN B 176 118.327 135.780 30.135 1.00 0.00 H new ATOM 0 HB3 GLN B 176 119.118 134.749 28.959 1.00 0.00 H new ATOM 0 HG2 GLN B 176 117.022 134.805 27.542 1.00 0.00 H new ATOM 0 HG3 GLN B 176 116.292 135.900 28.700 1.00 0.00 H new ATOM 0 HE21 GLN B 176 117.745 135.959 25.747 1.00 0.00 H new ATOM 0 HE22 GLN B 176 118.532 137.539 25.830 1.00 0.00 H new ATOM 340 N ALA B 177 116.243 134.672 31.892 1.00 0.00 N ATOM 341 CA ALA B 177 115.044 135.098 32.616 1.00 0.00 C ATOM 342 C ALA B 177 115.162 136.562 33.028 1.00 0.00 C ATOM 343 O ALA B 177 115.517 136.869 34.165 1.00 0.00 O ATOM 344 CB ALA B 177 114.852 134.228 33.858 1.00 0.00 C ATOM 0 H ALA B 177 117.112 134.770 32.417 1.00 0.00 H new ATOM 0 HA ALA B 177 114.182 134.987 31.958 1.00 0.00 H new ATOM 0 HB1 ALA B 177 113.958 134.550 34.393 1.00 0.00 H new ATOM 0 HB2 ALA B 177 114.740 133.186 33.559 1.00 0.00 H new ATOM 0 HB3 ALA B 177 115.720 134.327 34.510 1.00 0.00 H new ATOM 350 N SER B 178 114.856 137.460 32.098 1.00 0.00 N ATOM 351 CA SER B 178 114.927 138.889 32.374 1.00 0.00 C ATOM 352 C SER B 178 113.779 139.319 33.280 1.00 0.00 C ATOM 353 O SER B 178 112.800 138.590 33.449 1.00 0.00 O ATOM 354 CB SER B 178 114.871 139.679 31.068 1.00 0.00 C ATOM 355 OG SER B 178 113.571 139.564 30.508 1.00 0.00 O ATOM 0 H SER B 178 114.558 137.225 31.151 1.00 0.00 H new ATOM 0 HA SER B 178 115.870 139.093 32.880 1.00 0.00 H new ATOM 0 HB2 SER B 178 115.109 140.727 31.252 1.00 0.00 H new ATOM 0 HB3 SER B 178 115.616 139.301 30.368 1.00 0.00 H new ATOM 0 HG SER B 178 113.479 140.193 29.762 1.00 0.00 H new ATOM 361 N GLN B 179 113.905 140.507 33.864 1.00 0.00 N ATOM 362 CA GLN B 179 112.867 141.020 34.751 1.00 0.00 C ATOM 363 C GLN B 179 111.558 141.213 33.985 1.00 0.00 C ATOM 364 O GLN B 179 110.476 140.885 34.486 1.00 0.00 O ATOM 365 CB GLN B 179 113.309 142.358 35.352 1.00 0.00 C ATOM 366 CG GLN B 179 112.289 142.815 36.397 1.00 0.00 C ATOM 367 CD GLN B 179 112.277 141.845 37.573 1.00 0.00 C ATOM 368 OE1 GLN B 179 111.272 141.175 37.816 1.00 0.00 O ATOM 369 NE2 GLN B 179 113.342 141.722 38.317 1.00 0.00 N ATOM 0 H GLN B 179 114.706 141.126 33.741 1.00 0.00 H new ATOM 0 HA GLN B 179 112.706 140.297 35.551 1.00 0.00 H new ATOM 0 HB2 GLN B 179 114.293 142.255 35.810 1.00 0.00 H new ATOM 0 HB3 GLN B 179 113.401 143.108 34.567 1.00 0.00 H new ATOM 0 HG2 GLN B 179 112.537 143.818 36.745 1.00 0.00 H new ATOM 0 HG3 GLN B 179 111.297 142.869 35.949 1.00 0.00 H new ATOM 0 HE21 GLN B 179 114.173 142.278 38.114 1.00 0.00 H new ATOM 0 HE22 GLN B 179 113.344 141.070 39.102 1.00 0.00 H new ATOM 378 N GLU B 180 111.662 141.746 32.768 1.00 0.00 N ATOM 379 CA GLU B 180 110.476 141.977 31.946 1.00 0.00 C ATOM 380 C GLU B 180 109.775 140.657 31.640 1.00 0.00 C ATOM 381 O GLU B 180 108.543 140.561 31.707 1.00 0.00 O ATOM 382 CB GLU B 180 110.880 142.661 30.638 1.00 0.00 C ATOM 383 CG GLU B 180 111.324 144.099 30.927 1.00 0.00 C ATOM 384 CD GLU B 180 112.738 144.104 31.499 1.00 0.00 C ATOM 385 OE1 GLU B 180 113.378 143.067 31.464 1.00 0.00 O ATOM 386 OE2 GLU B 180 113.158 145.146 31.972 1.00 0.00 O ATOM 0 H GLU B 180 112.543 142.023 32.334 1.00 0.00 H new ATOM 0 HA GLU B 180 109.789 142.620 32.496 1.00 0.00 H new ATOM 0 HB2 GLU B 180 111.690 142.108 30.162 1.00 0.00 H new ATOM 0 HB3 GLU B 180 110.041 142.661 29.942 1.00 0.00 H new ATOM 0 HG2 GLU B 180 111.291 144.689 30.011 1.00 0.00 H new ATOM 0 HG3 GLU B 180 110.636 144.566 31.632 1.00 0.00 H new ATOM 393 N VAL B 181 110.567 139.636 31.317 1.00 0.00 N ATOM 394 CA VAL B 181 110.010 138.321 31.013 1.00 0.00 C ATOM 395 C VAL B 181 109.261 137.777 32.226 1.00 0.00 C ATOM 396 O VAL B 181 108.181 137.203 32.093 1.00 0.00 O ATOM 397 CB VAL B 181 111.131 137.358 30.618 1.00 0.00 C ATOM 398 CG1 VAL B 181 110.575 135.935 30.519 1.00 0.00 C ATOM 399 CG2 VAL B 181 111.704 137.778 29.259 1.00 0.00 C ATOM 0 H VAL B 181 111.584 139.693 31.260 1.00 0.00 H new ATOM 0 HA VAL B 181 109.313 138.416 30.180 1.00 0.00 H new ATOM 0 HB VAL B 181 111.917 137.386 31.372 1.00 0.00 H new ATOM 0 HG11 VAL B 181 111.375 135.250 30.237 1.00 0.00 H new ATOM 0 HG12 VAL B 181 110.165 135.637 31.484 1.00 0.00 H new ATOM 0 HG13 VAL B 181 109.788 135.903 29.765 1.00 0.00 H new ATOM 0 HG21 VAL B 181 112.503 137.094 28.974 1.00 0.00 H new ATOM 0 HG22 VAL B 181 110.916 137.748 28.507 1.00 0.00 H new ATOM 0 HG23 VAL B 181 112.101 138.791 29.329 1.00 0.00 H new ATOM 409 N LYS B 182 109.851 137.949 33.406 1.00 0.00 N ATOM 410 CA LYS B 182 109.232 137.466 34.632 1.00 0.00 C ATOM 411 C LYS B 182 107.883 138.146 34.844 1.00 0.00 C ATOM 412 O LYS B 182 106.918 137.508 35.277 1.00 0.00 O ATOM 413 CB LYS B 182 110.146 137.746 35.826 1.00 0.00 C ATOM 414 CG LYS B 182 109.511 137.186 37.102 1.00 0.00 C ATOM 415 CD LYS B 182 110.461 137.398 38.281 1.00 0.00 C ATOM 416 CE LYS B 182 109.827 136.837 39.555 1.00 0.00 C ATOM 417 NZ LYS B 182 110.774 136.999 40.694 1.00 0.00 N ATOM 0 H LYS B 182 110.749 138.415 33.537 1.00 0.00 H new ATOM 0 HA LYS B 182 109.077 136.391 34.545 1.00 0.00 H new ATOM 0 HB2 LYS B 182 111.123 137.290 35.664 1.00 0.00 H new ATOM 0 HB3 LYS B 182 110.308 138.819 35.929 1.00 0.00 H new ATOM 0 HG2 LYS B 182 108.559 137.681 37.295 1.00 0.00 H new ATOM 0 HG3 LYS B 182 109.298 136.124 36.979 1.00 0.00 H new ATOM 0 HD2 LYS B 182 111.413 136.904 38.088 1.00 0.00 H new ATOM 0 HD3 LYS B 182 110.673 138.460 38.405 1.00 0.00 H new ATOM 0 HE2 LYS B 182 108.893 137.356 39.768 1.00 0.00 H new ATOM 0 HE3 LYS B 182 109.582 135.784 39.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 182 110.343 136.618 41.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 182 111.654 136.484 40.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 182 110.986 138.008 40.828 1.00 0.00 H new ATOM 431 N ASN B 183 107.825 139.446 34.552 1.00 0.00 N ATOM 432 CA ASN B 183 106.587 140.204 34.737 1.00 0.00 C ATOM 433 C ASN B 183 105.461 139.599 33.907 1.00 0.00 C ATOM 434 O ASN B 183 104.370 139.341 34.419 1.00 0.00 O ATOM 435 CB ASN B 183 106.805 141.654 34.312 1.00 0.00 C ATOM 436 CG ASN B 183 105.585 142.490 34.677 1.00 0.00 C ATOM 437 OD1 ASN B 183 104.931 142.226 35.685 1.00 0.00 O ATOM 438 ND2 ASN B 183 105.238 143.489 33.913 1.00 0.00 N ATOM 0 H ASN B 183 108.609 139.990 34.191 1.00 0.00 H new ATOM 0 HA ASN B 183 106.310 140.165 35.790 1.00 0.00 H new ATOM 0 HB2 ASN B 183 107.692 142.056 34.801 1.00 0.00 H new ATOM 0 HB3 ASN B 183 106.983 141.704 33.238 1.00 0.00 H new ATOM 0 HD21 ASN B 183 104.422 144.054 34.151 1.00 0.00 H new ATOM 0 HD22 ASN B 183 105.782 143.705 33.078 1.00 0.00 H new ATOM 445 N TRP B 184 105.741 139.343 32.637 1.00 0.00 N ATOM 446 CA TRP B 184 104.754 138.727 31.762 1.00 0.00 C ATOM 447 C TRP B 184 104.505 137.275 32.161 1.00 0.00 C ATOM 448 O TRP B 184 103.364 136.822 32.200 1.00 0.00 O ATOM 449 CB TRP B 184 105.238 138.782 30.304 1.00 0.00 C ATOM 450 CG TRP B 184 104.426 137.853 29.450 1.00 0.00 C ATOM 451 CD1 TRP B 184 103.280 138.171 28.825 1.00 0.00 C ATOM 452 CD2 TRP B 184 104.654 136.443 29.181 1.00 0.00 C ATOM 453 NE1 TRP B 184 102.814 137.066 28.140 1.00 0.00 N ATOM 454 CE2 TRP B 184 103.619 135.968 28.344 1.00 0.00 C ATOM 455 CE3 TRP B 184 105.659 135.539 29.570 1.00 0.00 C ATOM 456 CZ2 TRP B 184 103.579 134.648 27.906 1.00 0.00 C ATOM 457 CZ3 TRP B 184 105.619 134.206 29.135 1.00 0.00 C ATOM 458 CH2 TRP B 184 104.581 133.760 28.304 1.00 0.00 C ATOM 0 H TRP B 184 106.635 139.550 32.192 1.00 0.00 H new ATOM 0 HA TRP B 184 103.820 139.281 31.859 1.00 0.00 H new ATOM 0 HB2 TRP B 184 105.156 139.801 29.925 1.00 0.00 H new ATOM 0 HB3 TRP B 184 106.291 138.507 30.253 1.00 0.00 H new ATOM 0 HD1 TRP B 184 102.799 139.138 28.854 1.00 0.00 H new ATOM 0 HE1 TRP B 184 101.978 137.064 27.556 1.00 0.00 H new ATOM 0 HE3 TRP B 184 106.465 135.873 30.207 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 102.779 134.312 27.263 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 106.393 133.518 29.442 1.00 0.00 H new ATOM 0 HH2 TRP B 184 104.556 132.732 27.973 1.00 0.00 H new ATOM 469 N MET B 185 105.584 136.541 32.416 1.00 0.00 N ATOM 470 CA MET B 185 105.465 135.132 32.738 1.00 0.00 C ATOM 471 C MET B 185 104.533 134.927 33.922 1.00 0.00 C ATOM 472 O MET B 185 103.614 134.125 33.861 1.00 0.00 O ATOM 473 CB MET B 185 106.846 134.567 33.088 1.00 0.00 C ATOM 474 CG MET B 185 106.784 133.035 33.143 1.00 0.00 C ATOM 475 SD MET B 185 108.443 132.354 32.919 1.00 0.00 S ATOM 476 CE MET B 185 108.491 132.479 31.109 1.00 0.00 C ATOM 0 H MET B 185 106.539 136.898 32.405 1.00 0.00 H new ATOM 0 HA MET B 185 105.056 134.615 31.870 1.00 0.00 H new ATOM 0 HB2 MET B 185 107.577 134.884 32.344 1.00 0.00 H new ATOM 0 HB3 MET B 185 107.177 134.961 34.049 1.00 0.00 H new ATOM 0 HG2 MET B 185 106.373 132.712 34.099 1.00 0.00 H new ATOM 0 HG3 MET B 185 106.118 132.660 32.366 1.00 0.00 H new ATOM 0 HE1 MET B 185 109.354 131.932 30.729 1.00 0.00 H new ATOM 0 HE2 MET B 185 107.579 132.053 30.691 1.00 0.00 H new ATOM 0 HE3 MET B 185 108.569 133.527 30.819 1.00 0.00 H new ATOM 486 N THR B 186 104.758 135.664 34.987 1.00 0.00 N ATOM 487 CA THR B 186 103.928 135.532 36.172 1.00 0.00 C ATOM 488 C THR B 186 102.567 136.177 35.974 1.00 0.00 C ATOM 489 O THR B 186 101.544 135.563 36.245 1.00 0.00 O ATOM 490 CB THR B 186 104.634 136.188 37.372 1.00 0.00 C ATOM 491 OG1 THR B 186 103.965 135.831 38.576 1.00 0.00 O ATOM 492 CG2 THR B 186 104.619 137.710 37.216 1.00 0.00 C ATOM 0 H THR B 186 105.502 136.357 35.061 1.00 0.00 H new ATOM 0 HA THR B 186 103.777 134.469 36.360 1.00 0.00 H new ATOM 0 HB THR B 186 105.666 135.839 37.411 1.00 0.00 H new ATOM 0 HG1 THR B 186 104.418 136.249 39.338 1.00 0.00 H new ATOM 0 HG21 THR B 186 105.120 138.168 38.069 1.00 0.00 H new ATOM 0 HG22 THR B 186 105.138 137.987 36.298 1.00 0.00 H new ATOM 0 HG23 THR B 186 103.588 138.061 37.170 1.00 0.00 H new ATOM 500 N GLU B 187 102.567 137.424 35.527 1.00 0.00 N ATOM 501 CA GLU B 187 101.324 138.151 35.363 1.00 0.00 C ATOM 502 C GLU B 187 100.400 137.464 34.374 1.00 0.00 C ATOM 503 O GLU B 187 99.226 137.196 34.685 1.00 0.00 O ATOM 504 CB GLU B 187 101.625 139.573 34.860 1.00 0.00 C ATOM 505 CG GLU B 187 100.320 140.365 34.728 1.00 0.00 C ATOM 506 CD GLU B 187 100.617 141.815 34.359 1.00 0.00 C ATOM 507 OE1 GLU B 187 101.785 142.160 34.285 1.00 0.00 O ATOM 508 OE2 GLU B 187 99.672 142.559 34.152 1.00 0.00 O ATOM 0 H GLU B 187 103.406 137.946 35.275 1.00 0.00 H new ATOM 0 HA GLU B 187 100.826 138.184 36.332 1.00 0.00 H new ATOM 0 HB2 GLU B 187 102.299 140.078 35.552 1.00 0.00 H new ATOM 0 HB3 GLU B 187 102.133 139.528 33.896 1.00 0.00 H new ATOM 0 HG2 GLU B 187 99.686 139.911 33.966 1.00 0.00 H new ATOM 0 HG3 GLU B 187 99.767 140.327 35.667 1.00 0.00 H new ATOM 515 N THR B 188 100.922 137.177 33.191 1.00 0.00 N ATOM 516 CA THR B 188 100.116 136.548 32.157 1.00 0.00 C ATOM 517 C THR B 188 99.640 135.164 32.585 1.00 0.00 C ATOM 518 O THR B 188 98.451 134.839 32.470 1.00 0.00 O ATOM 519 CB THR B 188 100.932 136.425 30.867 1.00 0.00 C ATOM 520 OG1 THR B 188 101.356 137.719 30.452 1.00 0.00 O ATOM 521 CG2 THR B 188 100.069 135.807 29.764 1.00 0.00 C ATOM 0 H THR B 188 101.888 137.367 32.925 1.00 0.00 H new ATOM 0 HA THR B 188 99.241 137.175 31.988 1.00 0.00 H new ATOM 0 HB THR B 188 101.798 135.790 31.051 1.00 0.00 H new ATOM 0 HG1 THR B 188 101.878 137.643 29.626 1.00 0.00 H new ATOM 0 HG21 THR B 188 100.655 135.722 28.849 1.00 0.00 H new ATOM 0 HG22 THR B 188 99.735 134.817 30.075 1.00 0.00 H new ATOM 0 HG23 THR B 188 99.202 136.442 29.582 1.00 0.00 H new ATOM 529 N LEU B 189 100.575 134.354 33.071 1.00 0.00 N ATOM 530 CA LEU B 189 100.247 132.999 33.493 1.00 0.00 C ATOM 531 C LEU B 189 99.343 133.016 34.716 1.00 0.00 C ATOM 532 O LEU B 189 98.463 132.159 34.861 1.00 0.00 O ATOM 533 CB LEU B 189 101.527 132.229 33.796 1.00 0.00 C ATOM 534 CG LEU B 189 102.393 132.151 32.523 1.00 0.00 C ATOM 535 CD1 LEU B 189 103.697 131.412 32.853 1.00 0.00 C ATOM 536 CD2 LEU B 189 101.637 131.379 31.432 1.00 0.00 C ATOM 0 H LEU B 189 101.556 134.610 33.181 1.00 0.00 H new ATOM 0 HA LEU B 189 99.712 132.503 32.683 1.00 0.00 H new ATOM 0 HB2 LEU B 189 102.080 132.722 34.595 1.00 0.00 H new ATOM 0 HB3 LEU B 189 101.286 131.226 34.147 1.00 0.00 H new ATOM 0 HG LEU B 189 102.613 133.157 32.167 1.00 0.00 H new ATOM 0 HD11 LEU B 189 104.317 131.351 31.959 1.00 0.00 H new ATOM 0 HD12 LEU B 189 104.235 131.953 33.632 1.00 0.00 H new ATOM 0 HD13 LEU B 189 103.466 130.406 33.204 1.00 0.00 H new ATOM 0 HD21 LEU B 189 102.251 131.325 30.533 1.00 0.00 H new ATOM 0 HD22 LEU B 189 101.420 130.371 31.784 1.00 0.00 H new ATOM 0 HD23 LEU B 189 100.703 131.893 31.203 1.00 0.00 H new ATOM 548 N LEU B 190 99.562 133.992 35.589 1.00 0.00 N ATOM 549 CA LEU B 190 98.749 134.109 36.793 1.00 0.00 C ATOM 550 C LEU B 190 97.273 134.195 36.434 1.00 0.00 C ATOM 551 O LEU B 190 96.442 133.485 37.012 1.00 0.00 O ATOM 552 CB LEU B 190 99.165 135.362 37.578 1.00 0.00 C ATOM 553 CG LEU B 190 100.295 135.008 38.554 1.00 0.00 C ATOM 554 CD1 LEU B 190 100.996 136.285 39.013 1.00 0.00 C ATOM 555 CD2 LEU B 190 99.699 134.285 39.775 1.00 0.00 C ATOM 0 H LEU B 190 100.285 134.704 35.489 1.00 0.00 H new ATOM 0 HA LEU B 190 98.907 133.224 37.409 1.00 0.00 H new ATOM 0 HB2 LEU B 190 99.495 136.141 36.891 1.00 0.00 H new ATOM 0 HB3 LEU B 190 98.311 135.761 38.125 1.00 0.00 H new ATOM 0 HG LEU B 190 101.017 134.360 38.057 1.00 0.00 H new ATOM 0 HD11 LEU B 190 101.798 136.031 39.706 1.00 0.00 H new ATOM 0 HD12 LEU B 190 101.413 136.802 38.149 1.00 0.00 H new ATOM 0 HD13 LEU B 190 100.278 136.935 39.512 1.00 0.00 H new ATOM 0 HD21 LEU B 190 100.497 134.031 40.473 1.00 0.00 H new ATOM 0 HD22 LEU B 190 98.980 134.938 40.269 1.00 0.00 H new ATOM 0 HD23 LEU B 190 99.198 133.374 39.449 1.00 0.00 H new ATOM 567 N VAL B 191 96.952 135.061 35.478 1.00 0.00 N ATOM 568 CA VAL B 191 95.568 135.217 35.044 1.00 0.00 C ATOM 569 C VAL B 191 95.060 133.913 34.428 1.00 0.00 C ATOM 570 O VAL B 191 93.937 133.475 34.701 1.00 0.00 O ATOM 571 CB VAL B 191 95.466 136.346 34.019 1.00 0.00 C ATOM 572 CG1 VAL B 191 94.058 136.372 33.419 1.00 0.00 C ATOM 573 CG2 VAL B 191 95.751 137.681 34.708 1.00 0.00 C ATOM 0 H VAL B 191 97.622 135.659 34.994 1.00 0.00 H new ATOM 0 HA VAL B 191 94.954 135.464 35.910 1.00 0.00 H new ATOM 0 HB VAL B 191 96.193 136.181 33.224 1.00 0.00 H new ATOM 0 HG11 VAL B 191 93.989 137.178 32.689 1.00 0.00 H new ATOM 0 HG12 VAL B 191 93.854 135.420 32.929 1.00 0.00 H new ATOM 0 HG13 VAL B 191 93.328 136.537 34.211 1.00 0.00 H new ATOM 0 HG21 VAL B 191 95.679 138.489 33.980 1.00 0.00 H new ATOM 0 HG22 VAL B 191 95.023 137.843 35.503 1.00 0.00 H new ATOM 0 HG23 VAL B 191 96.754 137.664 35.133 1.00 0.00 H new ATOM 583 N GLN B 192 95.892 133.301 33.585 1.00 0.00 N ATOM 584 CA GLN B 192 95.515 132.051 32.931 1.00 0.00 C ATOM 585 C GLN B 192 95.285 130.958 33.967 1.00 0.00 C ATOM 586 O GLN B 192 94.338 130.171 33.864 1.00 0.00 O ATOM 587 CB GLN B 192 96.614 131.618 31.961 1.00 0.00 C ATOM 588 CG GLN B 192 96.186 130.337 31.241 1.00 0.00 C ATOM 589 CD GLN B 192 97.225 129.955 30.194 1.00 0.00 C ATOM 590 OE1 GLN B 192 97.974 130.809 29.720 1.00 0.00 O ATOM 591 NE2 GLN B 192 97.321 128.711 29.808 1.00 0.00 N ATOM 0 H GLN B 192 96.820 133.646 33.342 1.00 0.00 H new ATOM 0 HA GLN B 192 94.590 132.213 32.378 1.00 0.00 H new ATOM 0 HB2 GLN B 192 96.805 132.409 31.235 1.00 0.00 H new ATOM 0 HB3 GLN B 192 97.545 131.450 32.502 1.00 0.00 H new ATOM 0 HG2 GLN B 192 96.069 129.527 31.961 1.00 0.00 H new ATOM 0 HG3 GLN B 192 95.216 130.484 30.766 1.00 0.00 H new ATOM 0 HE21 GLN B 192 96.699 128.005 30.202 1.00 0.00 H new ATOM 0 HE22 GLN B 192 98.018 128.445 29.112 1.00 0.00 H new ATOM 600 N ASN B 193 96.160 130.905 34.969 1.00 0.00 N ATOM 601 CA ASN B 193 96.045 129.895 36.019 1.00 0.00 C ATOM 602 C ASN B 193 95.229 130.435 37.191 1.00 0.00 C ATOM 603 O ASN B 193 95.831 130.954 38.115 1.00 0.00 O ATOM 604 CB ASN B 193 97.437 129.489 36.506 1.00 0.00 C ATOM 605 CG ASN B 193 98.147 128.674 35.431 1.00 0.00 C ATOM 606 OD1 ASN B 193 97.505 128.151 34.519 1.00 0.00 O ATOM 607 ND2 ASN B 193 99.443 128.527 35.486 1.00 0.00 N ATOM 0 H ASN B 193 96.949 131.543 35.076 1.00 0.00 H new ATOM 0 HA ASN B 193 95.537 129.023 35.608 1.00 0.00 H new ATOM 0 HB2 ASN B 193 98.021 130.377 36.746 1.00 0.00 H new ATOM 0 HB3 ASN B 193 97.355 128.905 37.422 1.00 0.00 H new ATOM 0 HD21 ASN B 193 99.925 127.979 34.773 1.00 0.00 H new ATOM 0 HD22 ASN B 193 99.974 128.960 36.241 1.00 0.00 H new TER 614 ASN B 193