USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.152 USER MOD Single : A 19 CYS SG : rot -49:sc= 0.431 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -140:sc= 0.201! USER MOD Single : A 27 SER OG : rot 94:sc= -0.694! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.2 F(o=-3.5!,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.923 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 30.212 28.448 -39.738 1.00 1.00 N ATOM 58 CA GLY A 5 30.632 27.614 -38.618 1.00 1.00 C ATOM 59 C GLY A 5 31.410 28.431 -37.593 1.00 1.00 C ATOM 60 O GLY A 5 32.241 29.266 -37.951 1.00 1.00 O ATOM 0 HA2 GLY A 5 29.758 27.167 -38.145 1.00 1.00 H new ATOM 0 HA3 GLY A 5 31.252 26.795 -38.982 1.00 1.00 H new ATOM 64 N ASP A 6 31.137 28.185 -36.316 1.00 1.00 N ATOM 65 CA ASP A 6 31.818 28.904 -35.247 1.00 1.00 C ATOM 66 C ASP A 6 33.322 28.942 -35.498 1.00 1.00 C ATOM 67 O ASP A 6 34.017 29.840 -35.026 1.00 1.00 O ATOM 68 CB ASP A 6 31.541 28.227 -33.903 1.00 1.00 C ATOM 69 CG ASP A 6 30.275 28.804 -33.279 1.00 1.00 C ATOM 70 OD1 ASP A 6 30.287 29.976 -32.936 1.00 1.00 O ATOM 71 OD2 ASP A 6 29.311 28.068 -33.153 1.00 1.00 O ATOM 0 H ASP A 6 30.454 27.498 -35.998 1.00 1.00 H new ATOM 0 HA ASP A 6 31.439 29.926 -35.225 1.00 1.00 H new ATOM 0 HB2 ASP A 6 31.429 27.152 -34.044 1.00 1.00 H new ATOM 0 HB3 ASP A 6 32.387 28.374 -33.231 1.00 1.00 H new ATOM 76 N PHE A 7 33.815 27.962 -36.247 1.00 1.00 N ATOM 77 CA PHE A 7 35.239 27.893 -36.556 1.00 1.00 C ATOM 78 C PHE A 7 35.497 26.885 -37.671 1.00 1.00 C ATOM 79 O PHE A 7 36.128 27.206 -38.678 1.00 1.00 O ATOM 80 CB PHE A 7 36.026 27.488 -35.308 1.00 1.00 C ATOM 81 CG PHE A 7 35.652 26.081 -34.911 1.00 1.00 C ATOM 82 CD1 PHE A 7 34.470 25.843 -34.198 1.00 1.00 C ATOM 83 CD2 PHE A 7 36.488 25.011 -35.255 1.00 1.00 C ATOM 84 CE1 PHE A 7 34.124 24.538 -33.831 1.00 1.00 C ATOM 85 CE2 PHE A 7 36.142 23.705 -34.888 1.00 1.00 C ATOM 86 CZ PHE A 7 34.961 23.469 -34.175 1.00 1.00 C ATOM 0 H PHE A 7 33.255 27.210 -36.649 1.00 1.00 H new ATOM 0 HA PHE A 7 35.567 28.878 -36.888 1.00 1.00 H new ATOM 0 HB2 PHE A 7 37.096 27.549 -35.504 1.00 1.00 H new ATOM 0 HB3 PHE A 7 35.812 28.177 -34.491 1.00 1.00 H new ATOM 0 HD1 PHE A 7 33.825 26.667 -33.931 1.00 1.00 H new ATOM 0 HD2 PHE A 7 37.400 25.194 -35.804 1.00 1.00 H new ATOM 0 HE1 PHE A 7 33.212 24.355 -33.283 1.00 1.00 H new ATOM 0 HE2 PHE A 7 36.786 22.880 -35.155 1.00 1.00 H new ATOM 0 HZ PHE A 7 34.695 22.462 -33.890 1.00 1.00 H new ATOM 96 N ASP A 8 35.006 25.664 -37.483 1.00 1.00 N ATOM 97 CA ASP A 8 35.189 24.616 -38.481 1.00 1.00 C ATOM 98 C ASP A 8 36.615 24.633 -39.020 1.00 1.00 C ATOM 99 O ASP A 8 36.928 25.374 -39.952 1.00 1.00 O ATOM 100 CB ASP A 8 34.203 24.814 -39.634 1.00 1.00 C ATOM 101 CG ASP A 8 34.248 23.612 -40.571 1.00 1.00 C ATOM 102 OD1 ASP A 8 35.303 23.363 -41.134 1.00 1.00 O ATOM 103 OD2 ASP A 8 33.229 22.956 -40.712 1.00 1.00 O ATOM 0 H ASP A 8 34.483 25.377 -36.656 1.00 1.00 H new ATOM 0 HA ASP A 8 35.003 23.652 -38.007 1.00 1.00 H new ATOM 0 HB2 ASP A 8 33.194 24.943 -39.242 1.00 1.00 H new ATOM 0 HB3 ASP A 8 34.450 25.723 -40.183 1.00 1.00 H new ATOM 108 N ASN A 9 37.476 23.812 -38.429 1.00 1.00 N ATOM 109 CA ASN A 9 38.868 23.740 -38.858 1.00 1.00 C ATOM 110 C ASN A 9 39.465 22.379 -38.517 1.00 1.00 C ATOM 111 O ASN A 9 40.221 21.808 -39.303 1.00 1.00 O ATOM 112 CB ASN A 9 39.682 24.843 -38.177 1.00 1.00 C ATOM 113 CG ASN A 9 41.053 24.959 -38.833 1.00 1.00 C ATOM 114 OD1 ASN A 9 41.154 25.364 -39.992 1.00 1.00 O ATOM 115 ND2 ASN A 9 42.120 24.629 -38.159 1.00 1.00 N ATOM 0 H ASN A 9 37.237 23.191 -37.656 1.00 1.00 H new ATOM 0 HA ASN A 9 38.903 23.878 -39.939 1.00 1.00 H new ATOM 0 HB2 ASN A 9 39.154 25.794 -38.249 1.00 1.00 H new ATOM 0 HB3 ASN A 9 39.795 24.621 -37.116 1.00 1.00 H new ATOM 0 HD21 ASN A 9 43.041 24.706 -38.592 1.00 1.00 H new ATOM 0 HD22 ASN A 9 42.034 24.294 -37.199 1.00 1.00 H new ATOM 122 N TYR A 10 39.121 21.866 -37.340 1.00 1.00 N ATOM 123 CA TYR A 10 39.629 20.570 -36.905 1.00 1.00 C ATOM 124 C TYR A 10 38.663 19.456 -37.296 1.00 1.00 C ATOM 125 O TYR A 10 39.044 18.501 -37.972 1.00 1.00 O ATOM 126 CB TYR A 10 39.825 20.569 -35.387 1.00 1.00 C ATOM 127 CG TYR A 10 41.003 21.444 -35.031 1.00 1.00 C ATOM 128 CD1 TYR A 10 42.307 20.997 -35.275 1.00 1.00 C ATOM 129 CD2 TYR A 10 40.790 22.703 -34.456 1.00 1.00 C ATOM 130 CE1 TYR A 10 43.399 21.808 -34.944 1.00 1.00 C ATOM 131 CE2 TYR A 10 41.882 23.515 -34.126 1.00 1.00 C ATOM 132 CZ TYR A 10 43.186 23.067 -34.369 1.00 1.00 C ATOM 133 OH TYR A 10 44.262 23.867 -34.044 1.00 1.00 O ATOM 0 H TYR A 10 38.498 22.324 -36.675 1.00 1.00 H new ATOM 0 HA TYR A 10 40.586 20.393 -37.395 1.00 1.00 H new ATOM 0 HB2 TYR A 10 38.925 20.934 -34.893 1.00 1.00 H new ATOM 0 HB3 TYR A 10 39.993 19.552 -35.032 1.00 1.00 H new ATOM 0 HD1 TYR A 10 42.471 20.026 -35.719 1.00 1.00 H new ATOM 0 HD2 TYR A 10 39.784 23.048 -34.267 1.00 1.00 H new ATOM 0 HE1 TYR A 10 44.405 21.463 -35.132 1.00 1.00 H new ATOM 0 HE2 TYR A 10 41.718 24.487 -33.684 1.00 1.00 H new ATOM 0 HH TYR A 10 43.940 24.707 -33.656 1.00 1.00 H new ATOM 143 N TYR A 11 37.412 19.588 -36.867 1.00 1.00 N ATOM 144 CA TYR A 11 36.397 18.588 -37.178 1.00 1.00 C ATOM 145 C TYR A 11 36.845 17.205 -36.713 1.00 1.00 C ATOM 146 O TYR A 11 38.030 16.973 -36.476 1.00 1.00 O ATOM 147 CB TYR A 11 36.129 18.561 -38.684 1.00 1.00 C ATOM 148 CG TYR A 11 35.538 17.227 -39.069 1.00 1.00 C ATOM 149 CD1 TYR A 11 34.196 16.949 -38.787 1.00 1.00 C ATOM 150 CD2 TYR A 11 36.333 16.267 -39.707 1.00 1.00 C ATOM 151 CE1 TYR A 11 33.647 15.712 -39.145 1.00 1.00 C ATOM 152 CE2 TYR A 11 35.785 15.029 -40.064 1.00 1.00 C ATOM 153 CZ TYR A 11 34.441 14.752 -39.782 1.00 1.00 C ATOM 154 OH TYR A 11 33.901 13.532 -40.135 1.00 1.00 O ATOM 0 H TYR A 11 37.078 20.372 -36.307 1.00 1.00 H new ATOM 0 HA TYR A 11 35.480 18.856 -36.653 1.00 1.00 H new ATOM 0 HB2 TYR A 11 35.446 19.365 -38.956 1.00 1.00 H new ATOM 0 HB3 TYR A 11 37.056 18.731 -39.232 1.00 1.00 H new ATOM 0 HD1 TYR A 11 33.584 17.689 -38.293 1.00 1.00 H new ATOM 0 HD2 TYR A 11 37.369 16.482 -39.924 1.00 1.00 H new ATOM 0 HE1 TYR A 11 32.610 15.499 -38.929 1.00 1.00 H new ATOM 0 HE2 TYR A 11 36.398 14.288 -40.556 1.00 1.00 H new ATOM 0 HH TYR A 11 34.588 12.984 -40.569 1.00 1.00 H new ATOM 164 N GLY A 12 35.890 16.290 -36.585 1.00 1.00 N ATOM 165 CA GLY A 12 36.198 14.934 -36.148 1.00 1.00 C ATOM 166 C GLY A 12 37.223 14.946 -35.018 1.00 1.00 C ATOM 167 O GLY A 12 38.017 14.016 -34.879 1.00 1.00 O ATOM 0 H GLY A 12 34.903 16.461 -36.776 1.00 1.00 H new ATOM 0 HA2 GLY A 12 35.286 14.440 -35.812 1.00 1.00 H new ATOM 0 HA3 GLY A 12 36.583 14.356 -36.988 1.00 1.00 H new ATOM 171 N ALA A 13 37.196 16.003 -34.215 1.00 1.00 N ATOM 172 CA ALA A 13 38.129 16.125 -33.099 1.00 1.00 C ATOM 173 C ALA A 13 37.725 15.198 -31.959 1.00 1.00 C ATOM 174 O ALA A 13 36.948 14.262 -32.153 1.00 1.00 O ATOM 175 CB ALA A 13 38.157 17.571 -32.599 1.00 1.00 C ATOM 0 H ALA A 13 36.545 16.782 -34.313 1.00 1.00 H new ATOM 0 HA ALA A 13 39.122 15.841 -33.447 1.00 1.00 H new ATOM 0 HB1 ALA A 13 38.855 17.655 -31.766 1.00 1.00 H new ATOM 0 HB2 ALA A 13 38.476 18.229 -33.407 1.00 1.00 H new ATOM 0 HB3 ALA A 13 37.160 17.861 -32.267 1.00 1.00 H new ATOM 181 N ASP A 14 38.255 15.463 -30.769 1.00 1.00 N ATOM 182 CA ASP A 14 37.943 14.644 -29.604 1.00 1.00 C ATOM 183 C ASP A 14 36.436 14.592 -29.374 1.00 1.00 C ATOM 184 O ASP A 14 35.955 13.865 -28.506 1.00 1.00 O ATOM 185 CB ASP A 14 38.631 15.216 -28.364 1.00 1.00 C ATOM 186 CG ASP A 14 40.061 14.696 -28.274 1.00 1.00 C ATOM 187 OD1 ASP A 14 40.828 14.969 -29.183 1.00 1.00 O ATOM 188 OD2 ASP A 14 40.370 14.034 -27.297 1.00 1.00 O ATOM 0 H ASP A 14 38.898 16.233 -30.587 1.00 1.00 H new ATOM 0 HA ASP A 14 38.306 13.633 -29.786 1.00 1.00 H new ATOM 0 HB2 ASP A 14 38.634 16.305 -28.409 1.00 1.00 H new ATOM 0 HB3 ASP A 14 38.076 14.936 -27.469 1.00 1.00 H new ATOM 193 N ASN A 15 35.696 15.368 -30.159 1.00 1.00 N ATOM 194 CA ASN A 15 34.243 15.404 -30.032 1.00 1.00 C ATOM 195 C ASN A 15 33.679 13.989 -29.948 1.00 1.00 C ATOM 196 O ASN A 15 32.719 13.736 -29.220 1.00 1.00 O ATOM 197 CB ASN A 15 33.632 16.128 -31.232 1.00 1.00 C ATOM 198 CG ASN A 15 33.089 17.486 -30.800 1.00 1.00 C ATOM 199 OD1 ASN A 15 33.714 18.515 -31.058 1.00 1.00 O ATOM 200 ND2 ASN A 15 31.958 17.552 -30.154 1.00 1.00 N ATOM 0 H ASN A 15 36.075 15.976 -30.885 1.00 1.00 H new ATOM 0 HA ASN A 15 33.989 15.940 -29.117 1.00 1.00 H new ATOM 0 HB2 ASN A 15 34.384 16.259 -32.010 1.00 1.00 H new ATOM 0 HB3 ASN A 15 32.831 15.526 -31.661 1.00 1.00 H new ATOM 0 HD21 ASN A 15 31.590 18.457 -29.862 1.00 1.00 H new ATOM 0 HD22 ASN A 15 31.442 16.698 -29.941 1.00 1.00 H new ATOM 207 N GLN A 16 34.282 13.071 -30.697 1.00 1.00 N ATOM 208 CA GLN A 16 33.831 11.684 -30.698 1.00 1.00 C ATOM 209 C GLN A 16 34.737 10.824 -29.823 1.00 1.00 C ATOM 210 O GLN A 16 35.087 9.702 -30.188 1.00 1.00 O ATOM 211 CB GLN A 16 33.829 11.137 -32.127 1.00 1.00 C ATOM 212 CG GLN A 16 33.545 12.274 -33.110 1.00 1.00 C ATOM 213 CD GLN A 16 32.927 11.717 -34.387 1.00 1.00 C ATOM 214 OE1 GLN A 16 31.761 11.323 -34.395 1.00 1.00 O ATOM 215 NE2 GLN A 16 33.645 11.659 -35.476 1.00 1.00 N ATOM 0 H GLN A 16 35.078 13.260 -31.306 1.00 1.00 H new ATOM 0 HA GLN A 16 32.819 11.651 -30.295 1.00 1.00 H new ATOM 0 HB2 GLN A 16 34.792 10.679 -32.353 1.00 1.00 H new ATOM 0 HB3 GLN A 16 33.074 10.358 -32.228 1.00 1.00 H new ATOM 0 HG2 GLN A 16 32.869 12.999 -32.655 1.00 1.00 H new ATOM 0 HG3 GLN A 16 34.469 12.803 -33.344 1.00 1.00 H new ATOM 0 HE21 GLN A 16 34.611 11.986 -35.468 1.00 1.00 H new ATOM 0 HE22 GLN A 16 33.240 11.287 -36.335 1.00 1.00 H new ATOM 224 N SER A 17 35.113 11.359 -28.665 1.00 1.00 N ATOM 225 CA SER A 17 35.980 10.631 -27.745 1.00 1.00 C ATOM 226 C SER A 17 35.707 11.052 -26.305 1.00 1.00 C ATOM 227 O SER A 17 34.757 11.787 -26.033 1.00 1.00 O ATOM 228 CB SER A 17 37.446 10.898 -28.088 1.00 1.00 C ATOM 229 OG SER A 17 38.252 9.864 -27.537 1.00 1.00 O ATOM 0 H SER A 17 34.834 12.286 -28.344 1.00 1.00 H new ATOM 0 HA SER A 17 35.772 9.566 -27.845 1.00 1.00 H new ATOM 0 HB2 SER A 17 37.577 10.940 -29.169 1.00 1.00 H new ATOM 0 HB3 SER A 17 37.754 11.866 -27.692 1.00 1.00 H new ATOM 0 HG SER A 17 39.193 10.031 -27.756 1.00 1.00 H new ATOM 235 N GLU A 18 36.544 10.582 -25.387 1.00 1.00 N ATOM 236 CA GLU A 18 36.383 10.917 -23.976 1.00 1.00 C ATOM 237 C GLU A 18 36.406 12.429 -23.779 1.00 1.00 C ATOM 238 O GLU A 18 37.474 13.039 -23.701 1.00 1.00 O ATOM 239 CB GLU A 18 37.504 10.276 -23.156 1.00 1.00 C ATOM 240 CG GLU A 18 37.283 8.763 -23.083 1.00 1.00 C ATOM 241 CD GLU A 18 37.353 8.158 -24.481 1.00 1.00 C ATOM 242 OE1 GLU A 18 38.453 8.004 -24.984 1.00 1.00 O ATOM 243 OE2 GLU A 18 36.304 7.858 -25.028 1.00 1.00 O ATOM 0 H GLU A 18 37.336 9.972 -25.592 1.00 1.00 H new ATOM 0 HA GLU A 18 35.421 10.533 -23.638 1.00 1.00 H new ATOM 0 HB2 GLU A 18 38.471 10.491 -23.611 1.00 1.00 H new ATOM 0 HB3 GLU A 18 37.523 10.700 -22.152 1.00 1.00 H new ATOM 0 HG2 GLU A 18 38.038 8.307 -22.442 1.00 1.00 H new ATOM 0 HG3 GLU A 18 36.313 8.550 -22.634 1.00 1.00 H new ATOM 250 N CYS A 19 35.223 13.029 -23.699 1.00 1.00 N ATOM 251 CA CYS A 19 35.118 14.471 -23.510 1.00 1.00 C ATOM 252 C CYS A 19 34.766 14.797 -22.063 1.00 1.00 C ATOM 253 O CYS A 19 33.592 14.853 -21.696 1.00 1.00 O ATOM 254 CB CYS A 19 34.046 15.043 -24.439 1.00 1.00 C ATOM 255 SG CYS A 19 33.424 16.600 -23.756 1.00 1.00 S ATOM 0 H CYS A 19 34.329 12.543 -23.762 1.00 1.00 H new ATOM 0 HA CYS A 19 36.082 14.921 -23.748 1.00 1.00 H new ATOM 0 HB2 CYS A 19 34.462 15.210 -25.433 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.229 14.330 -24.551 1.00 1.00 H new ATOM 0 HG CYS A 19 33.126 16.435 -22.501 1.00 1.00 H new ATOM 261 N GLU A 20 35.791 15.012 -21.246 1.00 1.00 N ATOM 262 CA GLU A 20 35.580 15.332 -19.839 1.00 1.00 C ATOM 263 C GLU A 20 34.676 14.293 -19.182 1.00 1.00 C ATOM 264 O GLU A 20 34.013 14.576 -18.184 1.00 1.00 O ATOM 265 CB GLU A 20 34.945 16.719 -19.709 1.00 1.00 C ATOM 266 CG GLU A 20 35.579 17.669 -20.726 1.00 1.00 C ATOM 267 CD GLU A 20 35.089 19.092 -20.486 1.00 1.00 C ATOM 268 OE1 GLU A 20 35.543 19.701 -19.531 1.00 1.00 O ATOM 269 OE2 GLU A 20 34.268 19.553 -21.261 1.00 1.00 O ATOM 0 H GLU A 20 36.770 14.971 -21.531 1.00 1.00 H new ATOM 0 HA GLU A 20 36.547 15.326 -19.335 1.00 1.00 H new ATOM 0 HB2 GLU A 20 33.870 16.655 -19.876 1.00 1.00 H new ATOM 0 HB3 GLU A 20 35.088 17.103 -18.699 1.00 1.00 H new ATOM 0 HG2 GLU A 20 36.665 17.631 -20.644 1.00 1.00 H new ATOM 0 HG3 GLU A 20 35.325 17.354 -21.738 1.00 1.00 H new ATOM 276 N TYR A 21 34.655 13.091 -19.749 1.00 1.00 N ATOM 277 CA TYR A 21 33.828 12.018 -19.209 1.00 1.00 C ATOM 278 C TYR A 21 34.656 11.104 -18.311 1.00 1.00 C ATOM 279 O TYR A 21 34.120 10.217 -17.647 1.00 1.00 O ATOM 280 CB TYR A 21 33.221 11.202 -20.351 1.00 1.00 C ATOM 281 CG TYR A 21 32.004 11.915 -20.888 1.00 1.00 C ATOM 282 CD1 TYR A 21 30.782 11.824 -20.211 1.00 1.00 C ATOM 283 CD2 TYR A 21 32.097 12.669 -22.065 1.00 1.00 C ATOM 284 CE1 TYR A 21 29.653 12.485 -20.709 1.00 1.00 C ATOM 285 CE2 TYR A 21 30.968 13.330 -22.563 1.00 1.00 C ATOM 286 CZ TYR A 21 29.747 13.239 -21.886 1.00 1.00 C ATOM 287 OH TYR A 21 28.634 13.892 -22.377 1.00 1.00 O ATOM 0 H TYR A 21 35.196 12.837 -20.575 1.00 1.00 H new ATOM 0 HA TYR A 21 33.029 12.463 -18.616 1.00 1.00 H new ATOM 0 HB2 TYR A 21 33.955 11.065 -21.145 1.00 1.00 H new ATOM 0 HB3 TYR A 21 32.947 10.209 -19.996 1.00 1.00 H new ATOM 0 HD1 TYR A 21 30.710 11.243 -19.303 1.00 1.00 H new ATOM 0 HD2 TYR A 21 33.039 12.740 -22.588 1.00 1.00 H new ATOM 0 HE1 TYR A 21 28.711 12.414 -20.186 1.00 1.00 H new ATOM 0 HE2 TYR A 21 31.040 13.911 -23.471 1.00 1.00 H new ATOM 0 HH TYR A 21 28.871 14.370 -23.199 1.00 1.00 H new ATOM 297 N THR A 22 35.966 11.327 -18.298 1.00 1.00 N ATOM 298 CA THR A 22 36.861 10.517 -17.478 1.00 1.00 C ATOM 299 C THR A 22 38.278 11.080 -17.514 1.00 1.00 C ATOM 300 O THR A 22 39.017 10.990 -16.534 1.00 1.00 O ATOM 301 CB THR A 22 36.870 9.073 -17.985 1.00 1.00 C ATOM 302 OG1 THR A 22 37.751 8.298 -17.184 1.00 1.00 O ATOM 303 CG2 THR A 22 37.340 9.044 -19.441 1.00 1.00 C ATOM 0 H THR A 22 36.429 12.056 -18.841 1.00 1.00 H new ATOM 0 HA THR A 22 36.500 10.539 -16.450 1.00 1.00 H new ATOM 0 HB THR A 22 35.864 8.659 -17.923 1.00 1.00 H new ATOM 0 HG1 THR A 22 37.757 7.372 -17.506 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.346 8.015 -19.801 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.663 9.639 -20.054 1.00 1.00 H new ATOM 0 HG23 THR A 22 38.346 9.457 -19.507 1.00 1.00 H new ATOM 311 N ASP A 23 38.649 11.660 -18.651 1.00 1.00 N ATOM 312 CA ASP A 23 39.981 12.235 -18.803 1.00 1.00 C ATOM 313 C ASP A 23 40.081 13.561 -18.057 1.00 1.00 C ATOM 314 O ASP A 23 40.750 14.490 -18.509 1.00 1.00 O ATOM 315 CB ASP A 23 40.286 12.457 -20.285 1.00 1.00 C ATOM 316 CG ASP A 23 41.780 12.292 -20.542 1.00 1.00 C ATOM 317 OD1 ASP A 23 42.556 12.889 -19.813 1.00 1.00 O ATOM 318 OD2 ASP A 23 42.127 11.570 -21.462 1.00 1.00 O ATOM 0 H ASP A 23 38.052 11.744 -19.474 1.00 1.00 H new ATOM 0 HA ASP A 23 40.707 11.540 -18.382 1.00 1.00 H new ATOM 0 HB2 ASP A 23 39.724 11.746 -20.891 1.00 1.00 H new ATOM 0 HB3 ASP A 23 39.965 13.455 -20.585 1.00 1.00 H new ATOM 323 N TRP A 24 39.411 13.642 -16.912 1.00 1.00 N ATOM 324 CA TRP A 24 39.433 14.860 -16.111 1.00 1.00 C ATOM 325 C TRP A 24 39.275 14.530 -14.629 1.00 1.00 C ATOM 326 O TRP A 24 40.088 14.942 -13.801 1.00 1.00 O ATOM 327 CB TRP A 24 38.304 15.794 -16.550 1.00 1.00 C ATOM 328 CG TRP A 24 36.985 15.163 -16.238 1.00 1.00 C ATOM 329 CD1 TRP A 24 36.528 14.010 -16.778 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.948 15.628 -15.326 1.00 1.00 C ATOM 331 NE1 TRP A 24 35.277 13.738 -16.255 1.00 1.00 N ATOM 332 CE2 TRP A 24 34.876 14.706 -15.356 1.00 1.00 C ATOM 333 CE3 TRP A 24 35.835 16.749 -14.483 1.00 1.00 C ATOM 334 CZ2 TRP A 24 33.732 14.889 -14.577 1.00 1.00 C ATOM 335 CZ3 TRP A 24 34.686 16.936 -13.700 1.00 1.00 C ATOM 336 CH2 TRP A 24 33.636 16.008 -13.747 1.00 1.00 C ATOM 0 H TRP A 24 38.850 12.885 -16.521 1.00 1.00 H new ATOM 0 HA TRP A 24 40.393 15.354 -16.262 1.00 1.00 H new ATOM 0 HB2 TRP A 24 38.391 16.752 -16.038 1.00 1.00 H new ATOM 0 HB3 TRP A 24 38.379 15.995 -17.619 1.00 1.00 H new ATOM 0 HD1 TRP A 24 37.054 13.402 -17.499 1.00 1.00 H new ATOM 0 HE1 TRP A 24 34.718 12.921 -16.503 1.00 1.00 H new ATOM 0 HE3 TRP A 24 36.638 17.470 -14.438 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 32.927 14.170 -14.616 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 34.610 17.800 -13.057 1.00 1.00 H new ATOM 0 HH2 TRP A 24 32.754 16.158 -13.142 1.00 1.00 H new ATOM 347 N LYS A 25 38.223 13.786 -14.303 1.00 1.00 N ATOM 348 CA LYS A 25 37.969 13.406 -12.918 1.00 1.00 C ATOM 349 C LYS A 25 38.202 14.591 -11.986 1.00 1.00 C ATOM 350 O LYS A 25 37.342 15.461 -11.847 1.00 1.00 O ATOM 351 CB LYS A 25 38.885 12.248 -12.517 1.00 1.00 C ATOM 352 CG LYS A 25 38.459 10.979 -13.257 1.00 1.00 C ATOM 353 CD LYS A 25 37.432 10.219 -12.418 1.00 1.00 C ATOM 354 CE LYS A 25 36.596 9.316 -13.328 1.00 1.00 C ATOM 355 NZ LYS A 25 35.771 8.398 -12.494 1.00 1.00 N ATOM 0 H LYS A 25 37.538 13.437 -14.973 1.00 1.00 H new ATOM 0 HA LYS A 25 36.929 13.091 -12.832 1.00 1.00 H new ATOM 0 HB2 LYS A 25 39.921 12.490 -12.756 1.00 1.00 H new ATOM 0 HB3 LYS A 25 38.835 12.087 -11.440 1.00 1.00 H new ATOM 0 HG2 LYS A 25 38.033 11.237 -14.227 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.327 10.348 -13.448 1.00 1.00 H new ATOM 0 HD2 LYS A 25 37.937 9.621 -11.660 1.00 1.00 H new ATOM 0 HD3 LYS A 25 36.786 10.921 -11.892 1.00 1.00 H new ATOM 0 HE2 LYS A 25 35.953 9.921 -13.967 1.00 1.00 H new ATOM 0 HE3 LYS A 25 37.248 8.741 -13.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 35.203 7.784 -13.112 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 36.394 7.812 -11.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 35.139 8.956 -11.885 1.00 1.00 H new ATOM 369 N SER A 26 39.368 14.617 -11.350 1.00 1.00 N ATOM 370 CA SER A 26 39.703 15.702 -10.433 1.00 1.00 C ATOM 371 C SER A 26 41.193 15.693 -10.115 1.00 1.00 C ATOM 372 O SER A 26 41.943 16.549 -10.585 1.00 1.00 O ATOM 373 CB SER A 26 38.901 15.558 -9.140 1.00 1.00 C ATOM 374 OG SER A 26 39.307 14.372 -8.467 1.00 1.00 O ATOM 0 H SER A 26 40.092 13.906 -11.451 1.00 1.00 H new ATOM 0 HA SER A 26 39.452 16.649 -10.912 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.061 16.426 -8.500 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.835 15.517 -9.362 1.00 1.00 H new ATOM 0 HG SER A 26 38.522 13.927 -8.085 1.00 1.00 H new ATOM 380 N SER A 27 41.618 14.719 -9.314 1.00 1.00 N ATOM 381 CA SER A 27 43.022 14.607 -8.940 1.00 1.00 C ATOM 382 C SER A 27 43.372 15.609 -7.844 1.00 1.00 C ATOM 383 O SER A 27 44.544 15.914 -7.623 1.00 1.00 O ATOM 384 CB SER A 27 43.908 14.864 -10.156 1.00 1.00 C ATOM 385 OG SER A 27 43.196 14.519 -11.338 1.00 1.00 O ATOM 0 H SER A 27 41.013 14.001 -8.915 1.00 1.00 H new ATOM 0 HA SER A 27 43.194 13.598 -8.565 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.204 15.912 -10.189 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.823 14.276 -10.084 1.00 1.00 H new ATOM 0 HG SER A 27 42.759 15.317 -11.701 1.00 1.00 H new ATOM 391 N GLY A 28 42.350 16.115 -7.160 1.00 1.00 N ATOM 392 CA GLY A 28 42.567 17.082 -6.088 1.00 1.00 C ATOM 393 C GLY A 28 41.583 18.245 -6.187 1.00 1.00 C ATOM 394 O GLY A 28 41.648 19.191 -5.404 1.00 1.00 O ATOM 0 H GLY A 28 41.373 15.875 -7.326 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.456 16.589 -5.122 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.588 17.461 -6.137 1.00 1.00 H new ATOM 398 N ALA A 29 40.676 18.171 -7.157 1.00 1.00 N ATOM 399 CA ALA A 29 39.690 19.230 -7.347 1.00 1.00 C ATOM 400 C ALA A 29 38.648 19.209 -6.234 1.00 1.00 C ATOM 401 O ALA A 29 38.287 20.256 -5.696 1.00 1.00 O ATOM 402 CB ALA A 29 38.999 19.065 -8.702 1.00 1.00 C ATOM 0 H ALA A 29 40.603 17.397 -7.817 1.00 1.00 H new ATOM 0 HA ALA A 29 40.209 20.188 -7.318 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.265 19.860 -8.835 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.741 19.120 -9.498 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.498 18.098 -8.739 1.00 1.00 H new ATOM 408 N LEU A 30 38.176 18.014 -5.892 1.00 1.00 N ATOM 409 CA LEU A 30 37.179 17.871 -4.834 1.00 1.00 C ATOM 410 C LEU A 30 37.613 16.804 -3.838 1.00 1.00 C ATOM 411 O LEU A 30 36.877 16.471 -2.909 1.00 1.00 O ATOM 412 CB LEU A 30 35.801 17.534 -5.432 1.00 1.00 C ATOM 413 CG LEU A 30 35.669 16.033 -5.729 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.346 15.783 -6.455 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.823 15.577 -6.622 1.00 1.00 C ATOM 0 H LEU A 30 38.464 17.137 -6.327 1.00 1.00 H new ATOM 0 HA LEU A 30 37.095 18.820 -4.304 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.018 17.839 -4.738 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.653 18.102 -6.350 1.00 1.00 H new ATOM 0 HG LEU A 30 35.695 15.475 -4.793 1.00 1.00 H new ATOM 0 HD11 LEU A 30 34.244 14.719 -6.670 1.00 1.00 H new ATOM 0 HD12 LEU A 30 33.518 16.107 -5.824 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.332 16.345 -7.389 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.724 14.511 -6.829 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.799 16.133 -7.559 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.770 15.761 -6.115 1.00 1.00 H new ATOM 427 N ILE A 31 38.819 16.281 -4.031 1.00 1.00 N ATOM 428 CA ILE A 31 39.345 15.263 -3.133 1.00 1.00 C ATOM 429 C ILE A 31 39.661 15.861 -1.758 1.00 1.00 C ATOM 430 O ILE A 31 39.468 15.198 -0.739 1.00 1.00 O ATOM 431 CB ILE A 31 40.604 14.618 -3.723 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.449 14.485 -5.242 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.794 13.229 -3.111 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.590 13.636 -5.800 1.00 1.00 C ATOM 0 H ILE A 31 39.444 16.543 -4.793 1.00 1.00 H new ATOM 0 HA ILE A 31 38.580 14.496 -3.013 1.00 1.00 H new ATOM 0 HB ILE A 31 41.470 15.241 -3.499 1.00 1.00 H new ATOM 0 HG12 ILE A 31 39.490 14.026 -5.481 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.455 15.471 -5.706 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.689 12.767 -3.528 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.903 13.319 -2.030 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.926 12.610 -3.338 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.479 13.542 -6.880 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.543 14.114 -5.573 1.00 1.00 H new ATOM 0 HD13 ILE A 31 41.563 12.646 -5.345 1.00 1.00 H new ATOM 446 N PRO A 32 40.130 17.090 -1.697 1.00 1.00 N ATOM 447 CA PRO A 32 40.453 17.747 -0.396 1.00 1.00 C ATOM 448 C PRO A 32 39.202 17.958 0.451 1.00 1.00 C ATOM 449 O PRO A 32 39.287 18.257 1.642 1.00 1.00 O ATOM 450 CB PRO A 32 41.077 19.095 -0.786 1.00 1.00 C ATOM 451 CG PRO A 32 41.372 19.012 -2.248 1.00 1.00 C ATOM 452 CD PRO A 32 40.406 17.986 -2.832 1.00 1.00 C ATOM 0 HA PRO A 32 41.122 17.135 0.209 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.393 19.916 -0.573 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.987 19.282 -0.216 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.240 19.983 -2.725 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.406 18.711 -2.418 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.495 18.457 -3.202 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.850 17.448 -3.670 1.00 1.00 H new ATOM 460 N ALA A 33 38.041 17.803 -0.177 1.00 1.00 N ATOM 461 CA ALA A 33 36.772 17.978 0.520 1.00 1.00 C ATOM 462 C ALA A 33 36.383 16.701 1.255 1.00 1.00 C ATOM 463 O ALA A 33 36.213 16.702 2.474 1.00 1.00 O ATOM 464 CB ALA A 33 35.675 18.347 -0.482 1.00 1.00 C ATOM 0 H ALA A 33 37.953 17.558 -1.163 1.00 1.00 H new ATOM 0 HA ALA A 33 36.886 18.781 1.248 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.730 18.476 0.045 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.940 19.277 -0.986 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.573 17.551 -1.220 1.00 1.00 H new ATOM 470 N ILE A 34 36.243 15.612 0.506 1.00 1.00 N ATOM 471 CA ILE A 34 35.873 14.332 1.098 1.00 1.00 C ATOM 472 C ILE A 34 36.886 13.917 2.159 1.00 1.00 C ATOM 473 O ILE A 34 36.577 13.893 3.351 1.00 1.00 O ATOM 474 CB ILE A 34 35.801 13.255 0.013 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.085 13.817 -1.220 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.028 12.047 0.544 1.00 1.00 C ATOM 477 CD1 ILE A 34 33.780 14.496 -0.794 1.00 1.00 C ATOM 0 H ILE A 34 36.379 15.590 -0.505 1.00 1.00 H new ATOM 0 HA ILE A 34 34.896 14.442 1.568 1.00 1.00 H new ATOM 0 HB ILE A 34 36.811 12.949 -0.261 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.729 14.533 -1.731 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.875 13.015 -1.928 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.977 11.280 -0.229 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.537 11.646 1.420 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.019 12.353 0.819 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.273 14.895 -1.673 1.00 1.00 H new ATOM 0 HD12 ILE A 34 33.135 13.768 -0.302 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.002 15.309 -0.103 1.00 1.00 H new ATOM 489 N TYR A 35 38.098 13.592 1.719 1.00 1.00 N ATOM 490 CA TYR A 35 39.150 13.179 2.640 1.00 1.00 C ATOM 491 C TYR A 35 39.140 14.048 3.894 1.00 1.00 C ATOM 492 O TYR A 35 39.490 13.589 4.982 1.00 1.00 O ATOM 493 CB TYR A 35 40.514 13.287 1.955 1.00 1.00 C ATOM 494 CG TYR A 35 41.424 14.169 2.776 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.286 15.561 2.719 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.403 13.595 3.596 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.129 16.379 3.482 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.246 14.414 4.357 1.00 1.00 C ATOM 499 CZ TYR A 35 43.108 15.806 4.301 1.00 1.00 C ATOM 500 OH TYR A 35 43.939 16.612 5.052 1.00 1.00 O ATOM 0 H TYR A 35 38.374 13.607 0.737 1.00 1.00 H new ATOM 0 HA TYR A 35 38.967 12.144 2.929 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.955 12.297 1.842 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.397 13.700 0.953 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.530 16.004 2.087 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.508 12.521 3.642 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.023 17.453 3.438 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.003 13.972 4.988 1.00 1.00 H new ATOM 0 HH TYR A 35 44.560 16.054 5.565 1.00 1.00 H new ATOM 510 N MET A 36 38.736 15.304 3.735 1.00 1.00 N ATOM 511 CA MET A 36 38.685 16.228 4.863 1.00 1.00 C ATOM 512 C MET A 36 37.416 16.009 5.680 1.00 1.00 C ATOM 513 O MET A 36 37.453 15.994 6.910 1.00 1.00 O ATOM 514 CB MET A 36 38.726 17.671 4.358 1.00 1.00 C ATOM 515 CG MET A 36 38.465 18.629 5.522 1.00 1.00 C ATOM 516 SD MET A 36 39.292 20.206 5.203 1.00 1.00 S ATOM 517 CE MET A 36 37.850 21.095 4.567 1.00 1.00 C ATOM 0 H MET A 36 38.441 15.703 2.844 1.00 1.00 H new ATOM 0 HA MET A 36 39.550 16.041 5.500 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.697 17.883 3.910 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.977 17.816 3.579 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.393 18.786 5.644 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.832 18.196 6.453 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.137 22.113 4.302 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.468 20.584 3.683 1.00 1.00 H new ATOM 0 HE3 MET A 36 37.074 21.125 5.332 1.00 1.00 H new ATOM 527 N LEU A 37 36.293 15.839 4.989 1.00 1.00 N ATOM 528 CA LEU A 37 35.019 15.621 5.663 1.00 1.00 C ATOM 529 C LEU A 37 35.086 14.381 6.548 1.00 1.00 C ATOM 530 O LEU A 37 34.149 14.083 7.288 1.00 1.00 O ATOM 531 CB LEU A 37 33.903 15.452 4.629 1.00 1.00 C ATOM 532 CG LEU A 37 33.474 16.826 4.111 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.955 16.692 2.678 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.365 17.383 5.006 1.00 1.00 C ATOM 0 H LEU A 37 36.239 15.848 3.970 1.00 1.00 H new ATOM 0 HA LEU A 37 34.807 16.489 6.288 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.250 14.832 3.802 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.052 14.939 5.077 1.00 1.00 H new ATOM 0 HG LEU A 37 34.328 17.503 4.125 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.649 17.671 2.309 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.745 16.294 2.041 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.101 16.015 2.662 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.058 18.362 4.638 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.511 16.706 4.991 1.00 1.00 H new ATOM 0 HD23 LEU A 37 32.735 17.478 6.027 1.00 1.00 H new ATOM 546 N VAL A 38 36.202 13.663 6.467 1.00 1.00 N ATOM 547 CA VAL A 38 36.382 12.456 7.266 1.00 1.00 C ATOM 548 C VAL A 38 37.297 12.731 8.456 1.00 1.00 C ATOM 549 O VAL A 38 37.611 11.829 9.231 1.00 1.00 O ATOM 550 CB VAL A 38 36.985 11.346 6.404 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.206 10.097 7.259 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.027 11.015 5.258 1.00 1.00 C ATOM 0 H VAL A 38 36.990 13.894 5.861 1.00 1.00 H new ATOM 0 HA VAL A 38 35.407 12.140 7.637 1.00 1.00 H new ATOM 0 HB VAL A 38 37.939 11.680 5.997 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.636 9.306 6.644 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.888 10.332 8.077 1.00 1.00 H new ATOM 0 HG13 VAL A 38 36.252 9.762 7.667 1.00 1.00 H new ATOM 0 HG21 VAL A 38 36.455 10.224 4.643 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.073 10.681 5.666 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.869 11.904 4.648 1.00 1.00 H new ATOM 562 N PHE A 39 37.721 13.984 8.592 1.00 1.00 N ATOM 563 CA PHE A 39 38.601 14.367 9.691 1.00 1.00 C ATOM 564 C PHE A 39 37.814 15.087 10.782 1.00 1.00 C ATOM 565 O PHE A 39 37.568 14.530 11.852 1.00 1.00 O ATOM 566 CB PHE A 39 39.713 15.283 9.175 1.00 1.00 C ATOM 567 CG PHE A 39 40.213 16.155 10.302 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.550 15.580 11.534 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.340 17.536 10.116 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.014 16.386 12.579 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.805 18.343 11.162 1.00 1.00 C ATOM 572 CZ PHE A 39 41.142 17.768 12.393 1.00 1.00 C ATOM 0 H PHE A 39 37.472 14.746 7.961 1.00 1.00 H new ATOM 0 HA PHE A 39 39.040 13.462 10.111 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.532 14.687 8.772 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.339 15.903 8.360 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.452 14.514 11.677 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.080 17.979 9.166 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.273 15.943 13.529 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.904 19.409 11.019 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.501 18.390 13.199 1.00 1.00 H new ATOM 582 N LEU A 40 37.421 16.325 10.504 1.00 1.00 N ATOM 583 CA LEU A 40 36.664 17.112 11.471 1.00 1.00 C ATOM 584 C LEU A 40 35.383 16.383 11.869 1.00 1.00 C ATOM 585 O LEU A 40 34.809 16.652 12.924 1.00 1.00 O ATOM 586 CB LEU A 40 36.312 18.476 10.873 1.00 1.00 C ATOM 587 CG LEU A 40 35.403 18.284 9.658 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.972 18.680 10.023 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.898 19.164 8.509 1.00 1.00 C ATOM 0 H LEU A 40 37.612 16.803 9.623 1.00 1.00 H new ATOM 0 HA LEU A 40 37.280 17.253 12.359 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.813 19.094 11.619 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.221 19.002 10.580 1.00 1.00 H new ATOM 0 HG LEU A 40 35.423 17.238 9.351 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.324 18.543 9.157 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.619 18.054 10.843 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.951 19.726 10.330 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.251 19.028 7.642 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.878 20.209 8.817 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.918 18.882 8.248 1.00 1.00 H new ATOM 601 N LEU A 41 34.944 15.463 11.016 1.00 1.00 N ATOM 602 CA LEU A 41 33.729 14.699 11.284 1.00 1.00 C ATOM 603 C LEU A 41 34.073 13.265 11.672 1.00 1.00 C ATOM 604 O LEU A 41 33.295 12.589 12.347 1.00 1.00 O ATOM 605 CB LEU A 41 32.835 14.694 10.042 1.00 1.00 C ATOM 606 CG LEU A 41 31.498 15.361 10.369 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.652 15.455 9.098 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.751 14.529 11.415 1.00 1.00 C ATOM 0 H LEU A 41 35.408 15.229 10.138 1.00 1.00 H new ATOM 0 HA LEU A 41 33.199 15.169 12.113 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.327 15.223 9.226 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.670 13.671 9.705 1.00 1.00 H new ATOM 0 HG LEU A 41 31.680 16.361 10.763 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.699 15.930 9.330 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.181 16.048 8.352 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.472 14.454 8.706 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.799 15.006 11.647 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.570 13.528 11.022 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.352 14.460 12.322 1.00 1.00 H new ATOM 620 N GLY A 42 35.242 12.805 11.241 1.00 1.00 N ATOM 621 CA GLY A 42 35.679 11.448 11.547 1.00 1.00 C ATOM 622 C GLY A 42 35.374 11.093 12.998 1.00 1.00 C ATOM 623 O GLY A 42 34.758 10.064 13.280 1.00 1.00 O ATOM 0 H GLY A 42 35.900 13.348 10.682 1.00 1.00 H new ATOM 0 HA2 GLY A 42 35.180 10.742 10.883 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.749 11.356 11.363 1.00 1.00 H new ATOM 627 N THR A 43 35.805 11.952 13.915 1.00 1.00 N ATOM 628 CA THR A 43 35.573 11.722 15.334 1.00 1.00 C ATOM 629 C THR A 43 35.548 13.046 16.090 1.00 1.00 C ATOM 630 O THR A 43 35.051 13.123 17.214 1.00 1.00 O ATOM 631 CB THR A 43 36.674 10.827 15.907 1.00 1.00 C ATOM 632 OG1 THR A 43 36.203 10.196 17.090 1.00 1.00 O ATOM 633 CG2 THR A 43 37.904 11.674 16.233 1.00 1.00 C ATOM 0 H THR A 43 36.314 12.810 13.702 1.00 1.00 H new ATOM 0 HA THR A 43 34.608 11.228 15.451 1.00 1.00 H new ATOM 0 HB THR A 43 36.943 10.067 15.173 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.907 9.621 17.457 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.688 11.036 16.641 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.265 12.156 15.324 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.638 12.435 16.966 1.00 1.00 H new ATOM 641 N THR A 44 36.089 14.085 15.465 1.00 1.00 N ATOM 642 CA THR A 44 36.125 15.404 16.084 1.00 1.00 C ATOM 643 C THR A 44 34.804 16.134 15.868 1.00 1.00 C ATOM 644 O THR A 44 34.550 17.172 16.478 1.00 1.00 O ATOM 645 CB THR A 44 37.269 16.229 15.490 1.00 1.00 C ATOM 646 OG1 THR A 44 38.509 15.740 15.983 1.00 1.00 O ATOM 647 CG2 THR A 44 37.102 17.696 15.887 1.00 1.00 C ATOM 0 H THR A 44 36.506 14.040 14.535 1.00 1.00 H new ATOM 0 HA THR A 44 36.286 15.277 17.155 1.00 1.00 H new ATOM 0 HB THR A 44 37.252 16.146 14.403 1.00 1.00 H new ATOM 0 HG1 THR A 44 39.243 16.266 15.602 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.917 18.283 15.463 1.00 1.00 H new ATOM 0 HG22 THR A 44 36.151 18.070 15.508 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.119 17.783 16.973 1.00 1.00 H new ATOM 655 N GLY A 45 33.967 15.586 14.993 1.00 1.00 N ATOM 656 CA GLY A 45 32.675 16.195 14.705 1.00 1.00 C ATOM 657 C GLY A 45 31.937 16.543 15.992 1.00 1.00 C ATOM 658 O GLY A 45 30.928 17.248 15.965 1.00 1.00 O ATOM 0 H GLY A 45 34.158 14.728 14.475 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.818 17.096 14.109 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.071 15.511 14.109 1.00 1.00 H new ATOM 662 N ASN A 46 32.441 16.042 17.118 1.00 1.00 N ATOM 663 CA ASN A 46 31.809 16.308 18.405 1.00 1.00 C ATOM 664 C ASN A 46 30.300 16.194 18.273 1.00 1.00 C ATOM 665 O ASN A 46 29.552 16.974 18.860 1.00 1.00 O ATOM 666 CB ASN A 46 32.183 17.709 18.893 1.00 1.00 C ATOM 667 CG ASN A 46 31.939 17.821 20.394 1.00 1.00 C ATOM 668 OD1 ASN A 46 31.096 17.008 20.970 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 32.533 18.668 21.059 1.00 1.00 N flip ATOM 0 H ASN A 46 33.275 15.457 17.164 1.00 1.00 H new ATOM 0 HA ASN A 46 32.161 15.574 19.130 1.00 1.00 H new ATOM 0 HB2 ASN A 46 33.230 17.913 18.670 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.593 18.457 18.364 1.00 1.00 H new ATOM 0 HD21 ASN A 46 33.191 19.302 20.606 1.00 1.00 H new ATOM 0 HD22 ASN A 46 32.367 18.736 22.063 1.00 1.00 H new ATOM 676 N GLY A 47 29.865 15.217 17.488 1.00 1.00 N ATOM 677 CA GLY A 47 28.444 15.007 17.273 1.00 1.00 C ATOM 678 C GLY A 47 27.808 16.258 16.688 1.00 1.00 C ATOM 679 O GLY A 47 27.776 17.306 17.331 1.00 1.00 O ATOM 0 H GLY A 47 30.472 14.563 16.994 1.00 1.00 H new ATOM 0 HA2 GLY A 47 28.292 14.164 16.599 1.00 1.00 H new ATOM 0 HA3 GLY A 47 27.960 14.752 18.216 1.00 1.00 H new ATOM 683 N LEU A 48 27.298 16.146 15.469 1.00 1.00 N ATOM 684 CA LEU A 48 26.662 17.283 14.824 1.00 1.00 C ATOM 685 C LEU A 48 25.598 17.871 15.744 1.00 1.00 C ATOM 686 O LEU A 48 25.066 18.952 15.490 1.00 1.00 O ATOM 687 CB LEU A 48 26.031 16.845 13.501 1.00 1.00 C ATOM 688 CG LEU A 48 26.965 17.208 12.346 1.00 1.00 C ATOM 689 CD1 LEU A 48 28.320 16.526 12.549 1.00 1.00 C ATOM 690 CD2 LEU A 48 26.350 16.734 11.028 1.00 1.00 C ATOM 0 H LEU A 48 27.312 15.290 14.914 1.00 1.00 H new ATOM 0 HA LEU A 48 27.414 18.046 14.620 1.00 1.00 H new ATOM 0 HB2 LEU A 48 25.848 15.770 13.511 1.00 1.00 H new ATOM 0 HB3 LEU A 48 25.065 17.331 13.368 1.00 1.00 H new ATOM 0 HG LEU A 48 27.104 18.289 12.317 1.00 1.00 H new ATOM 0 HD11 LEU A 48 28.985 16.785 11.725 1.00 1.00 H new ATOM 0 HD12 LEU A 48 28.759 16.861 13.489 1.00 1.00 H new ATOM 0 HD13 LEU A 48 28.183 15.445 12.578 1.00 1.00 H new ATOM 0 HD21 LEU A 48 27.014 16.992 10.203 1.00 1.00 H new ATOM 0 HD22 LEU A 48 26.212 15.653 11.059 1.00 1.00 H new ATOM 0 HD23 LEU A 48 25.385 17.219 10.882 1.00 1.00 H new ATOM 702 N VAL A 49 25.302 17.149 16.822 1.00 1.00 N ATOM 703 CA VAL A 49 24.312 17.597 17.790 1.00 1.00 C ATOM 704 C VAL A 49 24.655 18.998 18.288 1.00 1.00 C ATOM 705 O VAL A 49 23.870 19.624 19.000 1.00 1.00 O ATOM 706 CB VAL A 49 24.270 16.624 18.972 1.00 1.00 C ATOM 707 CG1 VAL A 49 24.182 15.190 18.447 1.00 1.00 C ATOM 708 CG2 VAL A 49 25.542 16.776 19.812 1.00 1.00 C ATOM 0 H VAL A 49 25.735 16.253 17.045 1.00 1.00 H new ATOM 0 HA VAL A 49 23.335 17.625 17.308 1.00 1.00 H new ATOM 0 HB VAL A 49 23.399 16.845 19.589 1.00 1.00 H new ATOM 0 HG11 VAL A 49 24.152 14.496 19.287 1.00 1.00 H new ATOM 0 HG12 VAL A 49 23.277 15.076 17.850 1.00 1.00 H new ATOM 0 HG13 VAL A 49 25.054 14.974 17.829 1.00 1.00 H new ATOM 0 HG21 VAL A 49 25.508 16.082 20.652 1.00 1.00 H new ATOM 0 HG22 VAL A 49 26.414 16.557 19.195 1.00 1.00 H new ATOM 0 HG23 VAL A 49 25.610 17.797 20.187 1.00 1.00 H new ATOM 718 N LEU A 50 25.833 19.481 17.905 1.00 1.00 N ATOM 719 CA LEU A 50 26.279 20.809 18.313 1.00 1.00 C ATOM 720 C LEU A 50 26.211 21.781 17.139 1.00 1.00 C ATOM 721 O LEU A 50 26.884 22.811 17.136 1.00 1.00 O ATOM 722 CB LEU A 50 27.719 20.740 18.832 1.00 1.00 C ATOM 723 CG LEU A 50 27.794 19.805 20.044 1.00 1.00 C ATOM 724 CD1 LEU A 50 29.248 19.691 20.506 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.942 20.360 21.190 1.00 1.00 C ATOM 0 H LEU A 50 26.494 18.975 17.315 1.00 1.00 H new ATOM 0 HA LEU A 50 25.621 21.164 19.106 1.00 1.00 H new ATOM 0 HB2 LEU A 50 28.382 20.382 18.044 1.00 1.00 H new ATOM 0 HB3 LEU A 50 28.063 21.737 19.109 1.00 1.00 H new ATOM 0 HG LEU A 50 27.416 18.823 19.760 1.00 1.00 H new ATOM 0 HD11 LEU A 50 29.305 19.027 21.368 1.00 1.00 H new ATOM 0 HD12 LEU A 50 29.856 19.288 19.696 1.00 1.00 H new ATOM 0 HD13 LEU A 50 29.620 20.677 20.783 1.00 1.00 H new ATOM 0 HD21 LEU A 50 27.002 19.688 22.046 1.00 1.00 H new ATOM 0 HD22 LEU A 50 27.312 21.345 21.475 1.00 1.00 H new ATOM 0 HD23 LEU A 50 25.905 20.442 20.865 1.00 1.00 H new ATOM 737 N TRP A 51 25.392 21.444 16.144 1.00 1.00 N ATOM 738 CA TRP A 51 25.239 22.292 14.965 1.00 1.00 C ATOM 739 C TRP A 51 23.766 22.607 14.722 1.00 1.00 C ATOM 740 O TRP A 51 23.387 23.768 14.570 1.00 1.00 O ATOM 741 CB TRP A 51 25.822 21.590 13.738 1.00 1.00 C ATOM 742 CG TRP A 51 25.057 21.997 12.520 1.00 1.00 C ATOM 743 CD1 TRP A 51 25.134 23.209 11.922 1.00 1.00 C ATOM 744 CD2 TRP A 51 24.103 21.218 11.741 1.00 1.00 C ATOM 745 NE1 TRP A 51 24.290 23.222 10.827 1.00 1.00 N ATOM 746 CE2 TRP A 51 23.632 22.018 10.674 1.00 1.00 C ATOM 747 CE3 TRP A 51 23.606 19.906 11.856 1.00 1.00 C ATOM 748 CZ2 TRP A 51 22.701 21.535 9.753 1.00 1.00 C ATOM 749 CZ3 TRP A 51 22.669 19.417 10.932 1.00 1.00 C ATOM 750 CH2 TRP A 51 22.218 20.230 9.883 1.00 1.00 C ATOM 0 H TRP A 51 24.827 20.595 16.131 1.00 1.00 H new ATOM 0 HA TRP A 51 25.776 23.225 15.138 1.00 1.00 H new ATOM 0 HB2 TRP A 51 26.874 21.850 13.623 1.00 1.00 H new ATOM 0 HB3 TRP A 51 25.773 20.509 13.867 1.00 1.00 H new ATOM 0 HD1 TRP A 51 25.754 24.032 12.247 1.00 1.00 H new ATOM 0 HE1 TRP A 51 24.168 24.023 10.208 1.00 1.00 H new ATOM 0 HE3 TRP A 51 23.948 19.271 12.660 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 22.357 22.165 8.946 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 22.294 18.409 11.030 1.00 1.00 H new ATOM 0 HH2 TRP A 51 21.497 19.848 9.175 1.00 1.00 H new ATOM 761 N THR A 52 22.941 21.566 14.689 1.00 1.00 N ATOM 762 CA THR A 52 21.511 21.745 14.465 1.00 1.00 C ATOM 763 C THR A 52 20.830 22.245 15.735 1.00 1.00 C ATOM 764 O THR A 52 19.866 23.007 15.675 1.00 1.00 O ATOM 765 CB THR A 52 20.880 20.419 14.033 1.00 1.00 C ATOM 766 OG1 THR A 52 19.481 20.598 13.860 1.00 1.00 O ATOM 767 CG2 THR A 52 21.132 19.358 15.105 1.00 1.00 C ATOM 0 H THR A 52 23.234 20.597 14.813 1.00 1.00 H new ATOM 0 HA THR A 52 21.375 22.485 13.677 1.00 1.00 H new ATOM 0 HB THR A 52 21.325 20.093 13.093 1.00 1.00 H new ATOM 0 HG1 THR A 52 19.075 19.751 13.582 1.00 1.00 H new ATOM 0 HG21 THR A 52 20.682 18.415 14.796 1.00 1.00 H new ATOM 0 HG22 THR A 52 22.205 19.222 15.237 1.00 1.00 H new ATOM 0 HG23 THR A 52 20.688 19.680 16.047 1.00 1.00 H new ATOM 775 N VAL A 53 21.340 21.811 16.884 1.00 1.00 N ATOM 776 CA VAL A 53 20.774 22.221 18.163 1.00 1.00 C ATOM 777 C VAL A 53 20.833 23.738 18.315 1.00 1.00 C ATOM 778 O VAL A 53 19.926 24.351 18.876 1.00 1.00 O ATOM 779 CB VAL A 53 21.543 21.562 19.309 1.00 1.00 C ATOM 780 CG1 VAL A 53 21.117 22.190 20.637 1.00 1.00 C ATOM 781 CG2 VAL A 53 21.234 20.063 19.333 1.00 1.00 C ATOM 0 H VAL A 53 22.138 21.180 16.955 1.00 1.00 H new ATOM 0 HA VAL A 53 19.731 21.905 18.195 1.00 1.00 H new ATOM 0 HB VAL A 53 22.613 21.712 19.163 1.00 1.00 H new ATOM 0 HG11 VAL A 53 21.665 21.720 21.454 1.00 1.00 H new ATOM 0 HG12 VAL A 53 21.335 23.258 20.621 1.00 1.00 H new ATOM 0 HG13 VAL A 53 20.047 22.040 20.784 1.00 1.00 H new ATOM 0 HG21 VAL A 53 21.781 19.592 20.149 1.00 1.00 H new ATOM 0 HG22 VAL A 53 20.164 19.914 19.480 1.00 1.00 H new ATOM 0 HG23 VAL A 53 21.536 19.614 18.387 1.00 1.00 H new ATOM 791 N PHE A 54 21.907 24.336 17.809 1.00 1.00 N ATOM 792 CA PHE A 54 22.074 25.783 17.894 1.00 1.00 C ATOM 793 C PHE A 54 21.120 26.491 16.937 1.00 1.00 C ATOM 794 O PHE A 54 21.287 27.673 16.641 1.00 1.00 O ATOM 795 CB PHE A 54 23.517 26.162 17.552 1.00 1.00 C ATOM 796 CG PHE A 54 23.898 27.417 18.300 1.00 1.00 C ATOM 797 CD1 PHE A 54 24.214 27.351 19.663 1.00 1.00 C ATOM 798 CD2 PHE A 54 23.936 28.647 17.632 1.00 1.00 C ATOM 799 CE1 PHE A 54 24.569 28.515 20.356 1.00 1.00 C ATOM 800 CE2 PHE A 54 24.290 29.810 18.325 1.00 1.00 C ATOM 801 CZ PHE A 54 24.606 29.744 19.688 1.00 1.00 C ATOM 0 H PHE A 54 22.669 23.846 17.340 1.00 1.00 H new ATOM 0 HA PHE A 54 21.847 26.097 18.913 1.00 1.00 H new ATOM 0 HB2 PHE A 54 24.191 25.348 17.819 1.00 1.00 H new ATOM 0 HB3 PHE A 54 23.618 26.321 16.478 1.00 1.00 H new ATOM 0 HD1 PHE A 54 24.184 26.403 20.179 1.00 1.00 H new ATOM 0 HD2 PHE A 54 23.692 28.698 16.581 1.00 1.00 H new ATOM 0 HE1 PHE A 54 24.814 28.464 21.407 1.00 1.00 H new ATOM 0 HE2 PHE A 54 24.320 30.758 17.809 1.00 1.00 H new ATOM 0 HZ PHE A 54 24.878 30.642 20.223 1.00 1.00 H new ATOM 811 N ARG A 55 20.120 25.758 16.457 1.00 1.00 N ATOM 812 CA ARG A 55 19.146 26.327 15.534 1.00 1.00 C ATOM 813 C ARG A 55 17.739 25.845 15.875 1.00 1.00 C ATOM 814 O ARG A 55 16.771 26.193 15.198 1.00 1.00 O ATOM 815 CB ARG A 55 19.489 25.927 14.098 1.00 1.00 C ATOM 816 CG ARG A 55 20.998 25.706 13.977 1.00 1.00 C ATOM 817 CD ARG A 55 21.368 25.487 12.510 1.00 1.00 C ATOM 818 NE ARG A 55 22.147 26.614 12.011 1.00 1.00 N ATOM 819 CZ ARG A 55 22.865 26.513 10.897 1.00 1.00 C ATOM 820 NH1 ARG A 55 22.880 25.393 10.229 1.00 1.00 N ATOM 821 NH2 ARG A 55 23.554 27.536 10.471 1.00 1.00 N ATOM 0 H ARG A 55 19.964 24.777 16.690 1.00 1.00 H new ATOM 0 HA ARG A 55 19.179 27.413 15.626 1.00 1.00 H new ATOM 0 HB2 ARG A 55 18.954 25.017 13.825 1.00 1.00 H new ATOM 0 HB3 ARG A 55 19.168 26.705 13.406 1.00 1.00 H new ATOM 0 HG2 ARG A 55 21.535 26.568 14.373 1.00 1.00 H new ATOM 0 HG3 ARG A 55 21.298 24.843 14.571 1.00 1.00 H new ATOM 0 HD2 ARG A 55 21.941 24.566 12.406 1.00 1.00 H new ATOM 0 HD3 ARG A 55 20.463 25.369 11.913 1.00 1.00 H new ATOM 0 HE ARG A 55 22.141 27.495 12.525 1.00 1.00 H new ATOM 0 HH11 ARG A 55 22.340 24.594 10.561 1.00 1.00 H new ATOM 0 HH12 ARG A 55 23.431 25.316 9.374 1.00 1.00 H new ATOM 0 HH21 ARG A 55 23.541 28.412 10.993 1.00 1.00 H new ATOM 0 HH22 ARG A 55 24.105 27.459 9.616 1.00 1.00 H new ATOM 835 N LYS A 56 17.633 25.040 16.928 1.00 1.00 N ATOM 836 CA LYS A 56 16.340 24.516 17.349 1.00 1.00 C ATOM 837 C LYS A 56 15.514 25.607 18.024 1.00 1.00 C ATOM 838 O LYS A 56 14.409 25.923 17.584 1.00 1.00 O ATOM 839 CB LYS A 56 16.541 23.350 18.321 1.00 1.00 C ATOM 840 CG LYS A 56 15.634 22.182 17.921 1.00 1.00 C ATOM 841 CD LYS A 56 16.192 21.502 16.668 1.00 1.00 C ATOM 842 CE LYS A 56 15.060 21.274 15.665 1.00 1.00 C ATOM 843 NZ LYS A 56 14.659 22.578 15.063 1.00 1.00 N ATOM 0 H LYS A 56 18.421 24.739 17.501 1.00 1.00 H new ATOM 0 HA LYS A 56 15.806 24.165 16.466 1.00 1.00 H new ATOM 0 HB2 LYS A 56 17.584 23.033 18.313 1.00 1.00 H new ATOM 0 HB3 LYS A 56 16.313 23.668 19.338 1.00 1.00 H new ATOM 0 HG2 LYS A 56 15.568 21.463 18.738 1.00 1.00 H new ATOM 0 HG3 LYS A 56 14.623 22.542 17.731 1.00 1.00 H new ATOM 0 HD2 LYS A 56 16.969 22.121 16.221 1.00 1.00 H new ATOM 0 HD3 LYS A 56 16.655 20.551 16.933 1.00 1.00 H new ATOM 0 HE2 LYS A 56 15.384 20.586 14.885 1.00 1.00 H new ATOM 0 HE3 LYS A 56 14.207 20.813 16.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 14.027 22.408 14.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.163 23.151 15.775 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 15.507 23.086 14.739 1.00 1.00 H new