USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HE2:sc= 0.488 K(o=1,f=-8.3!) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.558 K(o=1,f=-7.3!) USER MOD Set 2.1: A 38 TYR OH : rot -158:sc= 1.18 USER MOD Set 2.2: B 201 ASN : amide:sc= 1.16 K(o=2.3,f=-3.5!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 135:sc= 0.566 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0.714 (180deg=0.13!) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 0.116 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.067) USER MOD Single : A 69 GLN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 74 SER OG : rot -54:sc= 0.104 USER MOD Single : A 78 GLN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.4) USER MOD Single : B 204 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 33.979 43.348 40.268 1.00 0.00 N ATOM 53 CA VAL A 5 34.581 42.250 40.958 1.00 0.00 C ATOM 54 C VAL A 5 34.646 41.015 40.125 1.00 0.00 C ATOM 55 O VAL A 5 35.681 40.374 39.956 1.00 0.00 O ATOM 56 CB VAL A 5 33.795 41.973 42.205 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.503 40.899 43.048 1.00 0.00 C ATOM 58 CG2 VAL A 5 33.653 43.276 43.010 1.00 0.00 C ATOM 0 HA VAL A 5 35.607 42.529 41.197 1.00 0.00 H new ATOM 0 HB VAL A 5 32.805 41.603 41.939 1.00 0.00 H new ATOM 0 HG11 VAL A 5 33.924 40.705 43.951 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.590 39.980 42.468 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.498 41.250 43.323 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.082 43.082 43.918 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.642 43.649 43.275 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.134 44.021 42.407 1.00 0.00 H new ATOM 68 N GLU A 6 33.503 40.646 39.518 1.00 0.00 N ATOM 69 CA GLU A 6 33.377 39.466 38.721 1.00 0.00 C ATOM 70 C GLU A 6 33.904 39.635 37.338 1.00 0.00 C ATOM 71 O GLU A 6 34.291 38.659 36.697 1.00 0.00 O ATOM 72 CB GLU A 6 31.948 38.903 38.793 1.00 0.00 C ATOM 73 CG GLU A 6 31.833 37.952 39.987 1.00 0.00 C ATOM 74 CD GLU A 6 30.408 37.551 40.343 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.685 36.943 39.510 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.020 37.790 41.517 1.00 0.00 O ATOM 0 H GLU A 6 32.640 41.186 39.584 1.00 0.00 H new ATOM 0 HA GLU A 6 34.026 38.704 39.152 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.230 39.717 38.892 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.707 38.376 37.870 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.407 37.051 39.773 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.292 38.424 40.856 1.00 0.00 H new ATOM 83 N PHE A 7 34.065 40.888 36.878 1.00 0.00 N ATOM 84 CA PHE A 7 34.883 41.207 35.748 1.00 0.00 C ATOM 85 C PHE A 7 36.287 40.753 35.953 1.00 0.00 C ATOM 86 O PHE A 7 36.835 40.036 35.118 1.00 0.00 O ATOM 87 CB PHE A 7 34.792 42.706 35.417 1.00 0.00 C ATOM 88 CG PHE A 7 35.546 43.098 34.192 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.189 42.597 32.963 1.00 0.00 C ATOM 90 CD2 PHE A 7 36.616 43.956 34.277 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.896 42.939 31.833 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.329 44.306 33.154 1.00 0.00 C ATOM 93 CZ PHE A 7 36.969 43.795 31.930 1.00 0.00 C ATOM 0 H PHE A 7 33.616 41.700 37.301 1.00 0.00 H new ATOM 0 HA PHE A 7 34.504 40.663 34.882 1.00 0.00 H new ATOM 0 HB2 PHE A 7 33.744 42.978 35.290 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.169 43.279 36.264 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.345 41.928 32.883 1.00 0.00 H new ATOM 0 HD2 PHE A 7 36.901 44.360 35.237 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.609 42.537 30.873 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.169 44.980 33.234 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.527 44.065 31.046 1.00 0.00 H new ATOM 103 N ASN A 8 36.918 41.074 37.097 1.00 0.00 N ATOM 104 CA ASN A 8 38.293 40.787 37.370 1.00 0.00 C ATOM 105 C ASN A 8 38.512 39.347 37.686 1.00 0.00 C ATOM 106 O ASN A 8 39.577 38.798 37.409 1.00 0.00 O ATOM 107 CB ASN A 8 38.829 41.641 38.530 1.00 0.00 C ATOM 108 CG ASN A 8 39.178 43.039 38.039 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.279 43.290 37.555 1.00 0.00 O ATOM 110 ND2 ASN A 8 38.223 44.000 38.171 1.00 0.00 N ATOM 0 H ASN A 8 36.450 41.554 37.865 1.00 0.00 H new ATOM 0 HA ASN A 8 38.839 41.033 36.459 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.082 41.702 39.321 1.00 0.00 H new ATOM 0 HB3 ASN A 8 39.712 41.169 38.961 1.00 0.00 H new ATOM 0 HD21 ASN A 8 38.414 44.954 37.865 1.00 0.00 H new ATOM 0 HD22 ASN A 8 37.317 43.766 38.576 1.00 0.00 H new ATOM 117 N ASN A 9 37.496 38.640 38.213 1.00 0.00 N ATOM 118 CA ASN A 9 37.552 37.220 38.364 1.00 0.00 C ATOM 119 C ASN A 9 37.501 36.515 37.052 1.00 0.00 C ATOM 120 O ASN A 9 38.134 35.476 36.873 1.00 0.00 O ATOM 121 CB ASN A 9 36.452 36.688 39.299 1.00 0.00 C ATOM 122 CG ASN A 9 36.880 36.867 40.749 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.560 36.006 41.305 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.490 38.000 41.392 1.00 0.00 N ATOM 0 H ASN A 9 36.625 39.060 38.538 1.00 0.00 H new ATOM 0 HA ASN A 9 38.516 37.006 38.826 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.518 37.220 39.117 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.264 35.634 39.093 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.761 38.154 42.363 1.00 0.00 H new ATOM 0 HD22 ASN A 9 35.926 38.695 40.903 1.00 0.00 H new ATOM 131 N ALA A 10 36.811 37.086 36.049 1.00 0.00 N ATOM 132 CA ALA A 10 36.850 36.622 34.696 1.00 0.00 C ATOM 133 C ALA A 10 38.204 36.813 34.105 1.00 0.00 C ATOM 134 O ALA A 10 38.769 35.883 33.531 1.00 0.00 O ATOM 135 CB ALA A 10 35.750 37.272 33.839 1.00 0.00 C ATOM 0 H ALA A 10 36.206 37.897 36.183 1.00 0.00 H new ATOM 0 HA ALA A 10 36.646 35.551 34.706 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.813 36.894 32.819 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.773 37.029 34.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.884 38.354 33.834 1.00 0.00 H new ATOM 141 N ILE A 11 38.835 37.986 34.291 1.00 0.00 N ATOM 142 CA ILE A 11 40.181 38.259 33.893 1.00 0.00 C ATOM 143 C ILE A 11 41.165 37.290 34.452 1.00 0.00 C ATOM 144 O ILE A 11 41.982 36.726 33.726 1.00 0.00 O ATOM 145 CB ILE A 11 40.652 39.632 34.271 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.679 40.760 33.885 1.00 0.00 C ATOM 147 CG2 ILE A 11 41.990 39.973 33.592 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.071 40.655 32.488 1.00 0.00 C ATOM 0 H ILE A 11 38.384 38.783 34.741 1.00 0.00 H new ATOM 0 HA ILE A 11 40.141 38.170 32.807 1.00 0.00 H new ATOM 0 HB ILE A 11 40.740 39.587 35.356 1.00 0.00 H new ATOM 0 HG12 ILE A 11 38.869 40.783 34.614 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.204 41.712 33.963 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.303 40.975 33.887 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.747 39.251 33.898 1.00 0.00 H new ATOM 0 HG23 ILE A 11 41.869 39.935 32.509 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.402 41.498 32.318 1.00 0.00 H new ATOM 0 HD12 ILE A 11 39.867 40.668 31.743 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.510 39.724 32.404 1.00 0.00 H new ATOM 160 N SER A 12 41.085 37.031 35.769 1.00 0.00 N ATOM 161 CA SER A 12 41.864 36.071 36.489 1.00 0.00 C ATOM 162 C SER A 12 41.823 34.706 35.893 1.00 0.00 C ATOM 163 O SER A 12 42.846 34.037 35.759 1.00 0.00 O ATOM 164 CB SER A 12 41.441 35.967 37.963 1.00 0.00 C ATOM 165 OG SER A 12 42.369 35.230 38.745 1.00 0.00 O ATOM 0 H SER A 12 40.430 37.528 36.373 1.00 0.00 H new ATOM 0 HA SER A 12 42.885 36.448 36.422 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.336 36.969 38.379 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.462 35.492 38.024 1.00 0.00 H new ATOM 0 HG SER A 12 42.058 35.193 39.673 1.00 0.00 H new ATOM 171 N TYR A 13 40.624 34.268 35.468 1.00 0.00 N ATOM 172 CA TYR A 13 40.363 33.023 34.815 1.00 0.00 C ATOM 173 C TYR A 13 41.015 32.921 33.478 1.00 0.00 C ATOM 174 O TYR A 13 41.814 32.016 33.247 1.00 0.00 O ATOM 175 CB TYR A 13 38.844 32.794 34.741 1.00 0.00 C ATOM 176 CG TYR A 13 38.435 31.460 34.217 1.00 0.00 C ATOM 177 CD1 TYR A 13 38.984 30.299 34.707 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.474 31.382 33.238 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.590 29.082 34.201 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.066 30.168 32.738 1.00 0.00 C ATOM 181 CZ TYR A 13 37.626 29.009 33.223 1.00 0.00 C ATOM 182 OH TYR A 13 37.240 27.758 32.698 1.00 0.00 O ATOM 0 H TYR A 13 39.778 34.825 35.590 1.00 0.00 H new ATOM 0 HA TYR A 13 40.811 32.227 35.410 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.423 32.921 35.738 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.405 33.566 34.109 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.726 30.342 35.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.032 32.290 32.855 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.042 28.175 34.575 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.310 30.125 31.968 1.00 0.00 H new ATOM 0 HH TYR A 13 36.262 27.712 32.647 1.00 0.00 H new ATOM 192 N VAL A 14 40.760 33.862 32.551 1.00 0.00 N ATOM 193 CA VAL A 14 41.363 33.930 31.257 1.00 0.00 C ATOM 194 C VAL A 14 42.848 34.036 31.318 1.00 0.00 C ATOM 195 O VAL A 14 43.575 33.369 30.584 1.00 0.00 O ATOM 196 CB VAL A 14 40.853 35.090 30.454 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.310 34.970 28.991 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.316 35.074 30.406 1.00 0.00 C ATOM 0 H VAL A 14 40.095 34.618 32.715 1.00 0.00 H new ATOM 0 HA VAL A 14 41.087 32.993 30.774 1.00 0.00 H new ATOM 0 HB VAL A 14 41.234 35.996 30.925 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.932 35.819 28.421 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.399 34.961 28.950 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.923 34.045 28.564 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.961 35.922 29.820 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.976 34.147 29.945 1.00 0.00 H new ATOM 0 HG23 VAL A 14 38.920 35.142 31.419 1.00 0.00 H new ATOM 208 N ASN A 15 43.379 34.863 32.236 1.00 0.00 N ATOM 209 CA ASN A 15 44.781 34.932 32.509 1.00 0.00 C ATOM 210 C ASN A 15 45.413 33.645 32.915 1.00 0.00 C ATOM 211 O ASN A 15 46.495 33.312 32.434 1.00 0.00 O ATOM 212 CB ASN A 15 45.086 36.015 33.556 1.00 0.00 C ATOM 213 CG ASN A 15 46.562 36.388 33.542 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.057 36.959 32.572 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.302 36.024 34.624 1.00 0.00 N ATOM 0 H ASN A 15 42.819 35.500 32.803 1.00 0.00 H new ATOM 0 HA ASN A 15 45.231 35.192 31.551 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.482 36.900 33.356 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.807 35.656 34.547 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.302 36.223 34.648 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.857 35.552 35.411 1.00 0.00 H new ATOM 222 N LYS A 16 44.778 32.838 33.783 1.00 0.00 N ATOM 223 CA LYS A 16 45.221 31.519 34.115 1.00 0.00 C ATOM 224 C LYS A 16 45.204 30.587 32.953 1.00 0.00 C ATOM 225 O LYS A 16 46.145 29.822 32.748 1.00 0.00 O ATOM 226 CB LYS A 16 44.398 30.894 35.253 1.00 0.00 C ATOM 227 CG LYS A 16 44.798 31.419 36.634 1.00 0.00 C ATOM 228 CD LYS A 16 44.009 30.771 37.774 1.00 0.00 C ATOM 229 CE LYS A 16 42.558 31.248 37.861 1.00 0.00 C ATOM 230 NZ LYS A 16 41.888 30.623 39.022 1.00 0.00 N ATOM 0 H LYS A 16 43.926 33.113 34.271 1.00 0.00 H new ATOM 0 HA LYS A 16 46.252 31.652 34.442 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.341 31.098 35.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.521 29.811 35.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.862 31.241 36.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.648 32.498 36.663 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.020 29.689 37.644 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.510 30.983 38.718 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.529 32.334 37.955 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.027 30.993 36.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.884 30.467 38.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.341 29.711 39.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 41.967 31.250 39.848 1.00 0.00 H new ATOM 244 N ILE A 17 44.159 30.641 32.107 1.00 0.00 N ATOM 245 CA ILE A 17 44.038 29.903 30.889 1.00 0.00 C ATOM 246 C ILE A 17 45.129 30.213 29.923 1.00 0.00 C ATOM 247 O ILE A 17 45.743 29.315 29.349 1.00 0.00 O ATOM 248 CB ILE A 17 42.676 30.160 30.314 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.630 29.426 31.170 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.567 29.813 28.820 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.192 29.845 30.864 1.00 0.00 C ATOM 0 H ILE A 17 43.350 31.236 32.286 1.00 0.00 H new ATOM 0 HA ILE A 17 44.146 28.839 31.102 1.00 0.00 H new ATOM 0 HB ILE A 17 42.484 31.232 30.353 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.729 28.352 31.010 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.838 29.612 32.224 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.556 30.023 28.470 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.279 30.414 28.254 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.788 28.756 28.675 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.507 29.288 31.503 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.076 30.913 31.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.966 29.633 29.819 1.00 0.00 H new ATOM 263 N LYS A 18 45.471 31.498 29.726 1.00 0.00 N ATOM 264 CA LYS A 18 46.610 31.892 28.957 1.00 0.00 C ATOM 265 C LYS A 18 47.889 31.353 29.498 1.00 0.00 C ATOM 266 O LYS A 18 48.650 30.709 28.776 1.00 0.00 O ATOM 267 CB LYS A 18 46.765 33.420 28.861 1.00 0.00 C ATOM 268 CG LYS A 18 45.658 34.113 28.066 1.00 0.00 C ATOM 269 CD LYS A 18 46.138 35.457 27.513 1.00 0.00 C ATOM 270 CE LYS A 18 46.565 36.480 28.567 1.00 0.00 C ATOM 271 NZ LYS A 18 47.415 37.506 27.925 1.00 0.00 N ATOM 0 H LYS A 18 44.944 32.282 30.110 1.00 0.00 H new ATOM 0 HA LYS A 18 46.418 31.473 27.969 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.788 33.836 29.868 1.00 0.00 H new ATOM 0 HB3 LYS A 18 47.726 33.648 28.400 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.339 33.471 27.245 1.00 0.00 H new ATOM 0 HG3 LYS A 18 44.789 34.268 28.705 1.00 0.00 H new ATOM 0 HD2 LYS A 18 46.979 35.277 26.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 45.339 35.891 26.912 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.688 36.945 29.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 47.112 35.987 29.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.228 37.717 28.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 47.756 37.151 27.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 46.860 38.373 27.775 1.00 0.00 H new ATOM 285 N THR A 19 48.140 31.583 30.799 1.00 0.00 N ATOM 286 CA THR A 19 49.352 31.262 31.487 1.00 0.00 C ATOM 287 C THR A 19 49.612 29.799 31.603 1.00 0.00 C ATOM 288 O THR A 19 50.755 29.358 31.494 1.00 0.00 O ATOM 289 CB THR A 19 49.382 31.899 32.845 1.00 0.00 C ATOM 290 OG1 THR A 19 49.199 33.303 32.743 1.00 0.00 O ATOM 291 CG2 THR A 19 50.742 31.703 33.534 1.00 0.00 C ATOM 0 H THR A 19 47.451 32.022 31.410 1.00 0.00 H new ATOM 0 HA THR A 19 50.153 31.670 30.871 1.00 0.00 H new ATOM 0 HB THR A 19 48.585 31.426 33.418 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.241 33.506 32.701 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.725 32.178 34.515 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.941 30.638 33.650 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.526 32.154 32.926 1.00 0.00 H new ATOM 299 N ARG A 20 48.601 28.938 31.811 1.00 0.00 N ATOM 300 CA ARG A 20 48.856 27.534 31.906 1.00 0.00 C ATOM 301 C ARG A 20 48.919 26.852 30.582 1.00 0.00 C ATOM 302 O ARG A 20 49.735 25.955 30.379 1.00 0.00 O ATOM 303 CB ARG A 20 47.862 26.844 32.854 1.00 0.00 C ATOM 304 CG ARG A 20 47.925 27.355 34.295 1.00 0.00 C ATOM 305 CD ARG A 20 49.310 27.332 34.944 1.00 0.00 C ATOM 306 NE ARG A 20 49.775 25.917 34.965 1.00 0.00 N ATOM 307 CZ ARG A 20 49.968 25.179 36.097 1.00 0.00 C ATOM 308 NH1 ARG A 20 49.701 25.655 37.347 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.408 23.893 35.973 1.00 0.00 N ATOM 0 H ARG A 20 47.622 29.207 31.912 1.00 0.00 H new ATOM 0 HA ARG A 20 49.853 27.438 32.336 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.851 26.987 32.472 1.00 0.00 H new ATOM 0 HB3 ARG A 20 48.056 25.771 32.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.551 28.379 34.315 1.00 0.00 H new ATOM 0 HG3 ARG A 20 47.248 26.756 34.904 1.00 0.00 H new ATOM 0 HD2 ARG A 20 50.006 27.955 34.383 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.265 27.735 35.956 1.00 0.00 H new ATOM 0 HE ARG A 20 49.963 25.467 34.069 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.340 26.602 37.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.862 25.064 38.163 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.586 23.502 35.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.559 23.323 36.805 1.00 0.00 H new ATOM 323 N PHE A 21 48.112 27.279 29.594 1.00 0.00 N ATOM 324 CA PHE A 21 48.171 26.726 28.276 1.00 0.00 C ATOM 325 C PHE A 21 49.116 27.467 27.394 1.00 0.00 C ATOM 326 O PHE A 21 48.847 27.723 26.221 1.00 0.00 O ATOM 327 CB PHE A 21 46.777 26.639 27.630 1.00 0.00 C ATOM 328 CG PHE A 21 45.849 25.754 28.388 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.131 24.421 28.570 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.656 26.246 28.864 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.238 23.592 29.207 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.763 25.432 29.520 1.00 0.00 C ATOM 333 CZ PHE A 21 44.054 24.099 29.688 1.00 0.00 C ATOM 0 H PHE A 21 47.413 28.013 29.710 1.00 0.00 H new ATOM 0 HA PHE A 21 48.555 25.712 28.387 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.348 27.639 27.565 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.876 26.267 26.610 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.066 24.020 28.208 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.417 27.289 28.720 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.466 22.544 29.329 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.838 25.838 29.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.355 23.452 30.196 1.00 0.00 H new ATOM 343 N LEU A 22 50.325 27.794 27.882 1.00 0.00 N ATOM 344 CA LEU A 22 51.407 28.305 27.098 1.00 0.00 C ATOM 345 C LEU A 22 52.054 27.225 26.301 1.00 0.00 C ATOM 346 O LEU A 22 52.425 27.398 25.141 1.00 0.00 O ATOM 347 CB LEU A 22 52.482 29.002 27.949 1.00 0.00 C ATOM 348 CG LEU A 22 51.937 30.283 28.601 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.981 30.801 29.606 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.561 31.403 27.617 1.00 0.00 C ATOM 0 H LEU A 22 50.560 27.698 28.870 1.00 0.00 H new ATOM 0 HA LEU A 22 50.964 29.045 26.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.835 28.320 28.723 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.341 29.247 27.324 1.00 0.00 H new ATOM 0 HG LEU A 22 51.002 30.008 29.089 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.611 31.711 30.079 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.160 30.043 30.368 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.913 31.017 29.084 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.187 32.264 28.171 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.441 31.695 27.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.788 31.046 26.937 1.00 0.00 H new ATOM 362 N ASP A 23 52.134 26.024 26.900 1.00 0.00 N ATOM 363 CA ASP A 23 52.538 24.823 26.238 1.00 0.00 C ATOM 364 C ASP A 23 51.546 24.379 25.217 1.00 0.00 C ATOM 365 O ASP A 23 51.874 23.598 24.325 1.00 0.00 O ATOM 366 CB ASP A 23 52.742 23.683 27.248 1.00 0.00 C ATOM 367 CG ASP A 23 54.026 23.817 28.056 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.786 24.809 27.898 1.00 0.00 O ATOM 369 OD2 ASP A 23 54.295 22.878 28.852 1.00 0.00 O ATOM 0 H ASP A 23 51.908 25.884 27.885 1.00 0.00 H new ATOM 0 HA ASP A 23 53.478 25.053 25.736 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.893 23.655 27.931 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.754 22.732 26.715 1.00 0.00 H new ATOM 374 N HIS A 24 50.295 24.870 25.279 1.00 0.00 N ATOM 375 CA HIS A 24 49.241 24.464 24.403 1.00 0.00 C ATOM 376 C HIS A 24 48.547 25.629 23.784 1.00 0.00 C ATOM 377 O HIS A 24 47.420 25.900 24.196 1.00 0.00 O ATOM 378 CB HIS A 24 48.252 23.589 25.190 1.00 0.00 C ATOM 379 CG HIS A 24 48.890 22.387 25.820 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.517 21.418 25.082 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.961 21.991 27.120 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.947 20.468 25.891 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.628 20.794 27.129 1.00 0.00 N ATOM 0 H HIS A 24 50.008 25.572 25.961 1.00 0.00 H new ATOM 0 HA HIS A 24 49.671 23.890 23.582 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.784 24.192 25.968 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.457 23.260 24.521 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.568 22.517 27.977 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.472 19.574 25.590 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.843 20.243 27.960 1.00 0.00 H new ATOM 392 N PRO A 25 49.031 26.351 22.818 1.00 0.00 N ATOM 393 CA PRO A 25 48.381 27.534 22.331 1.00 0.00 C ATOM 394 C PRO A 25 47.160 27.273 21.519 1.00 0.00 C ATOM 395 O PRO A 25 46.477 28.217 21.124 1.00 0.00 O ATOM 396 CB PRO A 25 49.420 28.240 21.463 1.00 0.00 C ATOM 397 CG PRO A 25 50.765 27.671 21.942 1.00 0.00 C ATOM 398 CD PRO A 25 50.376 26.222 22.278 1.00 0.00 C ATOM 0 HA PRO A 25 48.037 28.124 23.181 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.257 28.038 20.404 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.377 29.322 21.592 1.00 0.00 H new ATOM 0 HG2 PRO A 25 51.532 27.722 21.169 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.152 28.205 22.810 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.395 25.585 21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.060 25.780 23.003 1.00 0.00 H new ATOM 406 N GLU A 26 46.843 25.994 21.250 1.00 0.00 N ATOM 407 CA GLU A 26 45.741 25.544 20.457 1.00 0.00 C ATOM 408 C GLU A 26 44.463 25.769 21.189 1.00 0.00 C ATOM 409 O GLU A 26 43.435 26.125 20.614 1.00 0.00 O ATOM 410 CB GLU A 26 45.887 24.049 20.122 1.00 0.00 C ATOM 411 CG GLU A 26 47.315 23.698 19.702 1.00 0.00 C ATOM 412 CD GLU A 26 47.459 22.288 19.145 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.620 21.328 19.945 1.00 0.00 O ATOM 414 OE2 GLU A 26 47.463 22.116 17.897 1.00 0.00 O ATOM 0 H GLU A 26 47.398 25.219 21.614 1.00 0.00 H new ATOM 0 HA GLU A 26 45.733 26.112 19.527 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.607 23.453 20.990 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.197 23.787 19.320 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.649 24.412 18.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 47.975 23.809 20.562 1.00 0.00 H new ATOM 421 N ILE A 27 44.517 25.634 22.527 1.00 0.00 N ATOM 422 CA ILE A 27 43.391 25.753 23.401 1.00 0.00 C ATOM 423 C ILE A 27 42.852 27.142 23.395 1.00 0.00 C ATOM 424 O ILE A 27 41.647 27.368 23.489 1.00 0.00 O ATOM 425 CB ILE A 27 43.656 25.327 24.815 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.708 24.231 25.058 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.328 24.824 25.404 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.773 23.093 24.040 1.00 0.00 C ATOM 0 H ILE A 27 45.386 25.433 23.022 1.00 0.00 H new ATOM 0 HA ILE A 27 42.652 25.060 22.999 1.00 0.00 H new ATOM 0 HB ILE A 27 44.075 26.216 25.287 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.688 24.706 25.098 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.524 23.796 26.040 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.485 24.505 26.435 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.592 25.628 25.381 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.965 23.982 24.815 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.555 22.391 24.329 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.814 22.576 24.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.997 23.499 23.054 1.00 0.00 H new ATOM 440 N TYR A 28 43.723 28.152 23.221 1.00 0.00 N ATOM 441 CA TYR A 28 43.359 29.534 23.154 1.00 0.00 C ATOM 442 C TYR A 28 42.526 29.879 21.968 1.00 0.00 C ATOM 443 O TYR A 28 41.769 30.848 21.971 1.00 0.00 O ATOM 444 CB TYR A 28 44.640 30.385 23.203 1.00 0.00 C ATOM 445 CG TYR A 28 44.380 31.803 23.580 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.747 32.101 24.763 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.782 32.831 22.759 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.483 33.404 25.112 1.00 0.00 C ATOM 449 CE2 TYR A 28 44.533 34.138 23.105 1.00 0.00 C ATOM 450 CZ TYR A 28 43.883 34.426 24.281 1.00 0.00 C ATOM 451 OH TYR A 28 43.640 35.771 24.631 1.00 0.00 O ATOM 0 H TYR A 28 44.727 27.998 23.123 1.00 0.00 H new ATOM 0 HA TYR A 28 42.726 29.751 24.014 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.335 29.946 23.919 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.126 30.357 22.228 1.00 0.00 H new ATOM 0 HD1 TYR A 28 43.453 31.301 25.427 1.00 0.00 H new ATOM 0 HD2 TYR A 28 45.297 32.610 21.836 1.00 0.00 H new ATOM 0 HE1 TYR A 28 42.964 33.625 26.033 1.00 0.00 H new ATOM 0 HE2 TYR A 28 44.848 34.939 22.452 1.00 0.00 H new ATOM 0 HH TYR A 28 43.990 36.360 23.930 1.00 0.00 H new ATOM 461 N ARG A 29 42.591 29.083 20.886 1.00 0.00 N ATOM 462 CA ARG A 29 41.708 29.169 19.765 1.00 0.00 C ATOM 463 C ARG A 29 40.415 28.485 20.048 1.00 0.00 C ATOM 464 O ARG A 29 39.344 29.058 19.855 1.00 0.00 O ATOM 465 CB ARG A 29 42.471 28.581 18.565 1.00 0.00 C ATOM 466 CG ARG A 29 41.667 28.122 17.346 1.00 0.00 C ATOM 467 CD ARG A 29 40.950 29.219 16.558 1.00 0.00 C ATOM 468 NE ARG A 29 40.515 28.581 15.284 1.00 0.00 N ATOM 469 CZ ARG A 29 40.079 29.265 14.186 1.00 0.00 C ATOM 470 NH1 ARG A 29 40.044 30.628 14.129 1.00 0.00 N ATOM 471 NH2 ARG A 29 39.696 28.591 13.062 1.00 0.00 N ATOM 0 H ARG A 29 43.290 28.347 20.788 1.00 0.00 H new ATOM 0 HA ARG A 29 41.427 30.199 19.543 1.00 0.00 H new ATOM 0 HB2 ARG A 29 43.187 29.330 18.228 1.00 0.00 H new ATOM 0 HB3 ARG A 29 43.047 27.728 18.923 1.00 0.00 H new ATOM 0 HG2 ARG A 29 42.341 27.598 16.668 1.00 0.00 H new ATOM 0 HG3 ARG A 29 40.924 27.398 17.679 1.00 0.00 H new ATOM 0 HD2 ARG A 29 40.096 29.606 17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 29 41.614 30.062 16.367 1.00 0.00 H new ATOM 0 HE ARG A 29 40.545 27.563 15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 29 40.352 31.180 14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 29 39.710 31.095 13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 29 39.735 27.572 13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 29 39.371 29.107 12.244 1.00 0.00 H new ATOM 485 N SER A 30 40.438 27.222 20.511 1.00 0.00 N ATOM 486 CA SER A 30 39.288 26.377 20.594 1.00 0.00 C ATOM 487 C SER A 30 38.401 26.631 21.764 1.00 0.00 C ATOM 488 O SER A 30 37.192 26.424 21.670 1.00 0.00 O ATOM 489 CB SER A 30 39.714 24.901 20.525 1.00 0.00 C ATOM 490 OG SER A 30 40.767 24.629 21.438 1.00 0.00 O ATOM 0 H SER A 30 41.292 26.772 20.841 1.00 0.00 H new ATOM 0 HA SER A 30 38.672 26.628 19.730 1.00 0.00 H new ATOM 0 HB2 SER A 30 38.860 24.262 20.749 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.035 24.659 19.512 1.00 0.00 H new ATOM 0 HG SER A 30 41.018 23.684 21.375 1.00 0.00 H new ATOM 496 N PHE A 31 38.938 27.119 22.896 1.00 0.00 N ATOM 497 CA PHE A 31 38.216 27.501 24.069 1.00 0.00 C ATOM 498 C PHE A 31 37.170 28.535 23.828 1.00 0.00 C ATOM 499 O PHE A 31 35.988 28.351 24.115 1.00 0.00 O ATOM 500 CB PHE A 31 39.229 27.976 25.123 1.00 0.00 C ATOM 501 CG PHE A 31 38.645 28.514 26.384 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.846 27.718 27.172 1.00 0.00 C ATOM 503 CD2 PHE A 31 38.870 29.817 26.760 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.231 28.237 28.287 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.260 30.345 27.874 1.00 0.00 C ATOM 506 CZ PHE A 31 37.433 29.552 28.636 1.00 0.00 C ATOM 0 H PHE A 31 39.944 27.255 22.998 1.00 0.00 H new ATOM 0 HA PHE A 31 37.667 26.628 24.421 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.883 27.141 25.374 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.856 28.748 24.676 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.701 26.680 26.913 1.00 0.00 H new ATOM 0 HD2 PHE A 31 39.534 30.434 26.173 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.589 27.612 28.889 1.00 0.00 H new ATOM 0 HE2 PHE A 31 38.429 31.376 28.149 1.00 0.00 H new ATOM 0 HZ PHE A 31 36.943 29.962 29.507 1.00 0.00 H new ATOM 516 N LEU A 32 37.562 29.696 23.275 1.00 0.00 N ATOM 517 CA LEU A 32 36.711 30.837 23.141 1.00 0.00 C ATOM 518 C LEU A 32 35.671 30.640 22.092 1.00 0.00 C ATOM 519 O LEU A 32 34.539 31.108 22.201 1.00 0.00 O ATOM 520 CB LEU A 32 37.483 32.090 22.695 1.00 0.00 C ATOM 521 CG LEU A 32 38.878 32.230 23.327 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.724 33.124 22.406 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.785 32.778 24.762 1.00 0.00 C ATOM 0 H LEU A 32 38.502 29.846 22.909 1.00 0.00 H new ATOM 0 HA LEU A 32 36.272 30.964 24.131 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.588 32.071 21.610 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.894 32.973 22.943 1.00 0.00 H new ATOM 0 HG LEU A 32 39.358 31.256 23.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.721 33.242 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.800 32.663 21.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.251 34.102 22.314 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.786 32.866 25.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.310 33.759 24.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.193 32.097 25.374 1.00 0.00 H new ATOM 535 N GLU A 33 36.050 29.922 21.018 1.00 0.00 N ATOM 536 CA GLU A 33 35.177 29.365 20.033 1.00 0.00 C ATOM 537 C GLU A 33 33.958 28.675 20.543 1.00 0.00 C ATOM 538 O GLU A 33 32.877 28.781 19.966 1.00 0.00 O ATOM 539 CB GLU A 33 35.976 28.425 19.116 1.00 0.00 C ATOM 540 CG GLU A 33 36.548 29.136 17.887 1.00 0.00 C ATOM 541 CD GLU A 33 35.473 29.346 16.830 1.00 0.00 C ATOM 542 OE1 GLU A 33 35.007 28.327 16.253 1.00 0.00 O ATOM 543 OE2 GLU A 33 35.100 30.515 16.540 1.00 0.00 O ATOM 0 H GLU A 33 37.031 29.718 20.827 1.00 0.00 H new ATOM 0 HA GLU A 33 34.785 30.223 19.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.792 27.979 19.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.331 27.609 18.790 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.967 30.098 18.181 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.364 28.547 17.469 1.00 0.00 H new ATOM 550 N ILE A 34 34.036 27.951 21.673 1.00 0.00 N ATOM 551 CA ILE A 34 32.920 27.348 22.334 1.00 0.00 C ATOM 552 C ILE A 34 32.077 28.376 23.008 1.00 0.00 C ATOM 553 O ILE A 34 30.854 28.376 22.878 1.00 0.00 O ATOM 554 CB ILE A 34 33.433 26.287 23.261 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.083 25.149 22.456 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.305 25.733 24.149 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.071 24.323 23.279 1.00 0.00 C ATOM 0 H ILE A 34 34.921 27.777 22.149 1.00 0.00 H new ATOM 0 HA ILE A 34 32.259 26.869 21.612 1.00 0.00 H new ATOM 0 HB ILE A 34 34.183 26.738 23.910 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.303 24.493 22.070 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.600 25.571 21.594 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.707 24.966 24.811 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.881 26.541 24.745 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.527 25.299 23.521 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.496 23.536 22.655 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.870 24.969 23.643 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.553 23.874 24.126 1.00 0.00 H new ATOM 569 N LEU A 35 32.662 29.359 23.714 1.00 0.00 N ATOM 570 CA LEU A 35 31.904 30.388 24.355 1.00 0.00 C ATOM 571 C LEU A 35 31.275 31.354 23.412 1.00 0.00 C ATOM 572 O LEU A 35 30.229 31.945 23.679 1.00 0.00 O ATOM 573 CB LEU A 35 32.797 31.176 25.328 1.00 0.00 C ATOM 574 CG LEU A 35 33.798 30.366 26.168 1.00 0.00 C ATOM 575 CD1 LEU A 35 34.057 31.191 27.440 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.379 29.001 26.739 1.00 0.00 C ATOM 0 H LEU A 35 33.671 29.441 23.842 1.00 0.00 H new ATOM 0 HA LEU A 35 31.100 29.872 24.879 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.356 31.914 24.753 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.150 31.728 26.010 1.00 0.00 H new ATOM 0 HG LEU A 35 34.611 30.177 25.466 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.765 30.662 28.079 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.470 32.162 27.166 1.00 0.00 H new ATOM 0 HD13 LEU A 35 33.120 31.334 27.978 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.208 28.573 27.303 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.520 29.130 27.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 33.112 28.331 25.922 1.00 0.00 H new ATOM 588 N HIS A 36 31.874 31.566 22.226 1.00 0.00 N ATOM 589 CA HIS A 36 31.335 32.348 21.158 1.00 0.00 C ATOM 590 C HIS A 36 30.161 31.693 20.515 1.00 0.00 C ATOM 591 O HIS A 36 29.234 32.387 20.098 1.00 0.00 O ATOM 592 CB HIS A 36 32.345 32.619 20.029 1.00 0.00 C ATOM 593 CG HIS A 36 33.505 33.519 20.339 1.00 0.00 C ATOM 594 ND1 HIS A 36 33.350 34.850 20.622 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.843 33.312 20.203 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.535 35.427 20.683 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.455 34.515 20.436 1.00 0.00 N ATOM 0 H HIS A 36 32.786 31.169 22.001 1.00 0.00 H new ATOM 0 HA HIS A 36 31.052 33.283 21.640 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.743 31.660 19.696 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.802 33.048 19.187 1.00 0.00 H new ATOM 0 HD1 HIS A 36 32.457 35.322 20.764 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.329 32.379 19.958 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.720 36.469 20.899 1.00 0.00 H new ATOM 606 N THR A 37 30.095 30.351 20.446 1.00 0.00 N ATOM 607 CA THR A 37 28.948 29.602 20.039 1.00 0.00 C ATOM 608 C THR A 37 27.726 29.951 20.816 1.00 0.00 C ATOM 609 O THR A 37 26.623 30.009 20.273 1.00 0.00 O ATOM 610 CB THR A 37 29.225 28.128 20.031 1.00 0.00 C ATOM 611 OG1 THR A 37 29.632 27.699 18.741 1.00 0.00 O ATOM 612 CG2 THR A 37 28.049 27.224 20.438 1.00 0.00 C ATOM 0 H THR A 37 30.888 29.756 20.688 1.00 0.00 H new ATOM 0 HA THR A 37 28.734 29.890 19.010 1.00 0.00 H new ATOM 0 HB THR A 37 30.005 28.019 20.784 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.809 26.735 18.758 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.361 26.180 20.397 1.00 0.00 H new ATOM 0 HG22 THR A 37 27.736 27.469 21.453 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.216 27.381 19.753 1.00 0.00 H new ATOM 620 N TYR A 38 27.880 30.291 22.109 1.00 0.00 N ATOM 621 CA TYR A 38 26.856 30.898 22.900 1.00 0.00 C ATOM 622 C TYR A 38 26.625 32.325 22.540 1.00 0.00 C ATOM 623 O TYR A 38 25.536 32.715 22.123 1.00 0.00 O ATOM 624 CB TYR A 38 27.279 30.790 24.375 1.00 0.00 C ATOM 625 CG TYR A 38 26.386 31.326 25.440 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.092 31.759 25.267 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.973 31.457 26.676 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.408 32.337 26.310 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.312 32.071 27.713 1.00 0.00 C ATOM 630 CZ TYR A 38 25.019 32.503 27.530 1.00 0.00 C ATOM 631 OH TYR A 38 24.348 33.174 28.574 1.00 0.00 O ATOM 0 H TYR A 38 28.749 30.137 22.621 1.00 0.00 H new ATOM 0 HA TYR A 38 25.916 30.378 22.716 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.445 29.734 24.590 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.242 31.291 24.475 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.611 31.644 24.307 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.969 31.071 26.835 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.387 32.662 26.170 1.00 0.00 H new ATOM 0 HE2 TYR A 38 26.804 32.213 28.664 1.00 0.00 H new ATOM 0 HH TYR A 38 25.003 33.515 29.218 1.00 0.00 H new ATOM 641 N GLN A 39 27.639 33.193 22.710 1.00 0.00 N ATOM 642 CA GLN A 39 27.424 34.607 22.693 1.00 0.00 C ATOM 643 C GLN A 39 27.116 35.233 21.376 1.00 0.00 C ATOM 644 O GLN A 39 26.592 36.345 21.330 1.00 0.00 O ATOM 645 CB GLN A 39 28.458 35.366 23.539 1.00 0.00 C ATOM 646 CG GLN A 39 29.918 35.450 23.087 1.00 0.00 C ATOM 647 CD GLN A 39 30.178 36.169 21.770 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.743 35.600 20.837 1.00 0.00 O ATOM 649 NE2 GLN A 39 29.802 37.473 21.690 1.00 0.00 N ATOM 0 H GLN A 39 28.609 32.915 22.859 1.00 0.00 H new ATOM 0 HA GLN A 39 26.463 34.723 23.194 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.096 36.388 23.650 1.00 0.00 H new ATOM 0 HB3 GLN A 39 28.454 34.917 24.532 1.00 0.00 H new ATOM 0 HG2 GLN A 39 30.489 35.951 23.868 1.00 0.00 H new ATOM 0 HG3 GLN A 39 30.310 34.436 23.006 1.00 0.00 H new ATOM 0 HE21 GLN A 39 29.335 37.918 22.480 1.00 0.00 H new ATOM 0 HE22 GLN A 39 29.987 38.006 20.840 1.00 0.00 H new ATOM 898 N SER A 54 22.249 24.767 25.504 1.00 0.00 N ATOM 899 CA SER A 54 22.479 24.262 26.821 1.00 0.00 C ATOM 900 C SER A 54 23.666 24.963 27.387 1.00 0.00 C ATOM 901 O SER A 54 24.767 24.896 26.843 1.00 0.00 O ATOM 902 CB SER A 54 22.791 22.757 26.882 1.00 0.00 C ATOM 903 OG SER A 54 21.636 21.953 26.691 1.00 0.00 O ATOM 0 HA SER A 54 21.555 24.432 27.374 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.530 22.512 26.120 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.238 22.521 27.848 1.00 0.00 H new ATOM 0 HG SER A 54 21.885 21.006 26.737 1.00 0.00 H new ATOM 909 N GLU A 55 23.529 25.632 28.546 1.00 0.00 N ATOM 910 CA GLU A 55 24.594 26.235 29.284 1.00 0.00 C ATOM 911 C GLU A 55 25.594 25.234 29.751 1.00 0.00 C ATOM 912 O GLU A 55 26.795 25.498 29.803 1.00 0.00 O ATOM 913 CB GLU A 55 24.022 27.073 30.441 1.00 0.00 C ATOM 914 CG GLU A 55 23.310 28.333 29.945 1.00 0.00 C ATOM 915 CD GLU A 55 22.223 28.839 30.881 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.222 28.095 31.063 1.00 0.00 O ATOM 917 OE2 GLU A 55 22.321 29.985 31.399 1.00 0.00 O ATOM 0 H GLU A 55 22.621 25.759 28.993 1.00 0.00 H new ATOM 0 HA GLU A 55 25.137 26.904 28.616 1.00 0.00 H new ATOM 0 HB2 GLU A 55 23.323 26.466 31.016 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.830 27.356 31.116 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.048 29.122 29.802 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.869 28.128 28.970 1.00 0.00 H new ATOM 924 N GLU A 56 25.155 23.987 29.998 1.00 0.00 N ATOM 925 CA GLU A 56 25.967 22.817 30.120 1.00 0.00 C ATOM 926 C GLU A 56 26.916 22.533 29.006 1.00 0.00 C ATOM 927 O GLU A 56 27.962 21.925 29.225 1.00 0.00 O ATOM 928 CB GLU A 56 24.999 21.631 30.268 1.00 0.00 C ATOM 929 CG GLU A 56 25.672 20.355 30.776 1.00 0.00 C ATOM 930 CD GLU A 56 24.746 19.148 30.797 1.00 0.00 C ATOM 931 OE1 GLU A 56 23.965 18.961 29.826 1.00 0.00 O ATOM 932 OE2 GLU A 56 24.803 18.346 31.769 1.00 0.00 O ATOM 0 H GLU A 56 24.163 23.784 30.121 1.00 0.00 H new ATOM 0 HA GLU A 56 26.620 22.984 30.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.199 21.908 30.954 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.535 21.428 29.303 1.00 0.00 H new ATOM 0 HG2 GLU A 56 26.533 20.132 30.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 26.051 20.530 31.783 1.00 0.00 H new ATOM 939 N GLU A 57 26.645 22.921 27.747 1.00 0.00 N ATOM 940 CA GLU A 57 27.395 22.435 26.632 1.00 0.00 C ATOM 941 C GLU A 57 28.649 23.219 26.449 1.00 0.00 C ATOM 942 O GLU A 57 29.692 22.730 26.019 1.00 0.00 O ATOM 943 CB GLU A 57 26.616 22.312 25.311 1.00 0.00 C ATOM 944 CG GLU A 57 26.792 23.439 24.292 1.00 0.00 C ATOM 945 CD GLU A 57 25.915 23.185 23.074 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.689 22.948 23.240 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.442 23.174 21.929 1.00 0.00 O ATOM 0 H GLU A 57 25.902 23.575 27.501 1.00 0.00 H new ATOM 0 HA GLU A 57 27.643 21.407 26.895 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.905 21.376 24.834 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.555 22.234 25.550 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.529 24.394 24.746 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.837 23.506 23.990 1.00 0.00 H new ATOM 954 N VAL A 58 28.572 24.507 26.829 1.00 0.00 N ATOM 955 CA VAL A 58 29.662 25.429 26.750 1.00 0.00 C ATOM 956 C VAL A 58 30.731 25.083 27.728 1.00 0.00 C ATOM 957 O VAL A 58 31.930 25.227 27.491 1.00 0.00 O ATOM 958 CB VAL A 58 29.095 26.815 26.833 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.193 27.446 28.233 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.862 27.713 25.848 1.00 0.00 C ATOM 0 H VAL A 58 27.719 24.921 27.205 1.00 0.00 H new ATOM 0 HA VAL A 58 30.187 25.371 25.797 1.00 0.00 H new ATOM 0 HB VAL A 58 28.035 26.736 26.592 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.762 28.447 28.212 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.647 26.831 28.948 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.239 27.507 28.532 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.464 28.727 25.894 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.919 27.726 26.115 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.748 27.324 24.836 1.00 0.00 H new ATOM 970 N PHE A 59 30.281 24.493 28.849 1.00 0.00 N ATOM 971 CA PHE A 59 31.050 23.746 29.796 1.00 0.00 C ATOM 972 C PHE A 59 31.574 22.469 29.236 1.00 0.00 C ATOM 973 O PHE A 59 32.781 22.231 29.246 1.00 0.00 O ATOM 974 CB PHE A 59 30.215 23.509 31.065 1.00 0.00 C ATOM 975 CG PHE A 59 30.965 22.952 32.226 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.117 21.593 32.370 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.446 23.780 33.212 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.743 21.067 33.475 1.00 0.00 C ATOM 979 CE2 PHE A 59 32.060 23.266 34.329 1.00 0.00 C ATOM 980 CZ PHE A 59 32.210 21.906 34.460 1.00 0.00 C ATOM 0 H PHE A 59 29.297 24.543 29.114 1.00 0.00 H new ATOM 0 HA PHE A 59 31.930 24.336 30.053 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.764 24.455 31.365 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.398 22.829 30.821 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.740 20.930 31.605 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.340 24.850 33.108 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.868 19.998 33.570 1.00 0.00 H new ATOM 0 HE2 PHE A 59 32.423 23.928 35.101 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.694 21.497 35.335 1.00 0.00 H new ATOM 990 N THR A 60 30.700 21.586 28.718 1.00 0.00 N ATOM 991 CA THR A 60 30.998 20.292 28.189 1.00 0.00 C ATOM 992 C THR A 60 32.089 20.248 27.175 1.00 0.00 C ATOM 993 O THR A 60 32.970 19.392 27.237 1.00 0.00 O ATOM 994 CB THR A 60 29.782 19.544 27.729 1.00 0.00 C ATOM 995 OG1 THR A 60 29.689 18.256 28.319 1.00 0.00 O ATOM 996 CG2 THR A 60 29.681 19.357 26.205 1.00 0.00 C ATOM 0 H THR A 60 29.703 21.797 28.666 1.00 0.00 H new ATOM 0 HA THR A 60 31.400 19.764 29.053 1.00 0.00 H new ATOM 0 HB THR A 60 28.961 20.184 28.053 1.00 0.00 H new ATOM 0 HG1 THR A 60 28.882 17.805 27.993 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.771 18.806 25.965 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.653 20.333 25.720 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.547 18.799 25.849 1.00 0.00 H new ATOM 1004 N GLU A 61 32.108 21.182 26.207 1.00 0.00 N ATOM 1005 CA GLU A 61 33.131 21.210 25.210 1.00 0.00 C ATOM 1006 C GLU A 61 34.434 21.599 25.819 1.00 0.00 C ATOM 1007 O GLU A 61 35.387 20.824 25.740 1.00 0.00 O ATOM 1008 CB GLU A 61 32.739 21.928 23.907 1.00 0.00 C ATOM 1009 CG GLU A 61 31.587 21.250 23.163 1.00 0.00 C ATOM 1010 CD GLU A 61 31.531 21.554 21.672 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.556 21.345 20.970 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.441 21.933 21.167 1.00 0.00 O ATOM 0 H GLU A 61 31.411 21.921 26.116 1.00 0.00 H new ATOM 0 HA GLU A 61 33.269 20.195 24.838 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.458 22.956 24.137 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.608 21.975 23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.669 20.172 23.298 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.646 21.558 23.619 1.00 0.00 H new ATOM 1019 N VAL A 62 34.535 22.715 26.562 1.00 0.00 N ATOM 1020 CA VAL A 62 35.690 23.168 27.274 1.00 0.00 C ATOM 1021 C VAL A 62 36.344 22.139 28.131 1.00 0.00 C ATOM 1022 O VAL A 62 37.563 22.078 28.286 1.00 0.00 O ATOM 1023 CB VAL A 62 35.293 24.335 28.128 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.395 24.784 29.104 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.934 25.498 27.188 1.00 0.00 C ATOM 0 H VAL A 62 33.745 23.351 26.673 1.00 0.00 H new ATOM 0 HA VAL A 62 36.429 23.435 26.519 1.00 0.00 H new ATOM 0 HB VAL A 62 34.448 24.030 28.746 1.00 0.00 H new ATOM 0 HG11 VAL A 62 36.039 25.632 29.690 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.646 23.961 29.773 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.281 25.078 28.542 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.640 26.366 27.779 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.800 25.752 26.576 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.108 25.202 26.542 1.00 0.00 H new ATOM 1035 N ALA A 63 35.538 21.219 28.689 1.00 0.00 N ATOM 1036 CA ALA A 63 35.964 20.186 29.582 1.00 0.00 C ATOM 1037 C ALA A 63 36.808 19.159 28.911 1.00 0.00 C ATOM 1038 O ALA A 63 37.664 18.537 29.539 1.00 0.00 O ATOM 1039 CB ALA A 63 34.753 19.443 30.172 1.00 0.00 C ATOM 0 H ALA A 63 34.535 21.194 28.507 1.00 0.00 H new ATOM 0 HA ALA A 63 36.544 20.690 30.355 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.100 18.662 30.848 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.127 20.146 30.721 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.173 18.994 29.365 1.00 0.00 H new ATOM 1045 N ASN A 64 36.606 18.936 27.600 1.00 0.00 N ATOM 1046 CA ASN A 64 37.419 18.012 26.872 1.00 0.00 C ATOM 1047 C ASN A 64 38.717 18.611 26.455 1.00 0.00 C ATOM 1048 O ASN A 64 39.732 17.930 26.309 1.00 0.00 O ATOM 1049 CB ASN A 64 36.678 17.281 25.740 1.00 0.00 C ATOM 1050 CG ASN A 64 36.518 18.029 24.424 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.441 18.136 23.618 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.286 18.531 24.141 1.00 0.00 N ATOM 0 H ASN A 64 35.882 19.394 27.046 1.00 0.00 H new ATOM 0 HA ASN A 64 37.667 17.217 27.575 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.204 16.348 25.538 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.685 17.015 26.102 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.119 19.003 23.252 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.529 18.436 24.818 1.00 0.00 H new ATOM 1059 N LEU A 65 38.745 19.941 26.256 1.00 0.00 N ATOM 1060 CA LEU A 65 39.915 20.716 25.982 1.00 0.00 C ATOM 1061 C LEU A 65 40.830 20.784 27.156 1.00 0.00 C ATOM 1062 O LEU A 65 42.049 20.644 27.062 1.00 0.00 O ATOM 1063 CB LEU A 65 39.589 22.178 25.631 1.00 0.00 C ATOM 1064 CG LEU A 65 38.970 22.414 24.244 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.534 21.871 24.138 1.00 0.00 C ATOM 1066 CD2 LEU A 65 38.935 23.926 23.961 1.00 0.00 C ATOM 0 H LEU A 65 37.898 20.509 26.289 1.00 0.00 H new ATOM 0 HA LEU A 65 40.382 20.207 25.139 1.00 0.00 H new ATOM 0 HB2 LEU A 65 38.904 22.568 26.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.507 22.762 25.702 1.00 0.00 H new ATOM 0 HG LEU A 65 39.587 21.883 23.519 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.145 22.064 23.138 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.536 20.797 24.325 1.00 0.00 H new ATOM 0 HD13 LEU A 65 36.902 22.367 24.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.497 24.102 22.979 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.334 24.425 24.721 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.950 24.324 23.983 1.00 0.00 H new ATOM 1078 N PHE A 66 40.241 21.025 28.341 1.00 0.00 N ATOM 1079 CA PHE A 66 40.913 21.401 29.546 1.00 0.00 C ATOM 1080 C PHE A 66 41.135 20.204 30.403 1.00 0.00 C ATOM 1081 O PHE A 66 41.504 20.302 31.573 1.00 0.00 O ATOM 1082 CB PHE A 66 40.086 22.396 30.376 1.00 0.00 C ATOM 1083 CG PHE A 66 40.078 23.815 29.917 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.530 24.255 28.696 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.584 24.738 30.807 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.499 25.593 28.374 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.558 26.080 30.507 1.00 0.00 C ATOM 1088 CZ PHE A 66 40.023 26.505 29.285 1.00 0.00 C ATOM 0 H PHE A 66 39.231 20.952 28.464 1.00 0.00 H new ATOM 0 HA PHE A 66 41.855 21.861 29.247 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.055 22.042 30.402 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.457 22.373 31.401 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.914 23.543 27.981 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.208 24.403 31.762 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.848 25.925 27.407 1.00 0.00 H new ATOM 0 HE2 PHE A 66 39.176 26.792 31.224 1.00 0.00 H new ATOM 0 HZ PHE A 66 40.014 27.557 29.041 1.00 0.00 H new ATOM 1098 N ARG A 67 40.916 19.004 29.835 1.00 0.00 N ATOM 1099 CA ARG A 67 40.752 17.762 30.524 1.00 0.00 C ATOM 1100 C ARG A 67 41.810 17.418 31.516 1.00 0.00 C ATOM 1101 O ARG A 67 43.010 17.531 31.270 1.00 0.00 O ATOM 1102 CB ARG A 67 40.536 16.689 29.444 1.00 0.00 C ATOM 1103 CG ARG A 67 41.803 16.260 28.700 1.00 0.00 C ATOM 1104 CD ARG A 67 41.547 15.245 27.585 1.00 0.00 C ATOM 1105 NE ARG A 67 42.879 14.800 27.087 1.00 0.00 N ATOM 1106 CZ ARG A 67 43.066 13.647 26.382 1.00 0.00 C ATOM 1107 NH1 ARG A 67 42.026 12.883 25.937 1.00 0.00 N ATOM 1108 NH2 ARG A 67 44.341 13.231 26.130 1.00 0.00 N ATOM 0 H ARG A 67 40.849 18.896 28.823 1.00 0.00 H new ATOM 0 HA ARG A 67 39.886 17.838 31.181 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.090 15.810 29.910 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.815 17.065 28.718 1.00 0.00 H new ATOM 0 HG2 ARG A 67 42.280 17.143 28.273 1.00 0.00 H new ATOM 0 HG3 ARG A 67 42.506 15.832 29.415 1.00 0.00 H new ATOM 0 HD2 ARG A 67 40.972 14.398 27.959 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.965 15.694 26.780 1.00 0.00 H new ATOM 0 HE ARG A 67 43.691 15.386 27.283 1.00 0.00 H new ATOM 0 HH11 ARG A 67 41.065 13.168 26.129 1.00 0.00 H new ATOM 0 HH12 ARG A 67 42.209 12.027 25.413 1.00 0.00 H new ATOM 0 HH21 ARG A 67 45.132 13.779 26.467 1.00 0.00 H new ATOM 0 HH22 ARG A 67 44.503 12.372 25.605 1.00 0.00 H new ATOM 1122 N GLY A 68 41.392 17.060 32.744 1.00 0.00 N ATOM 1123 CA GLY A 68 42.272 16.855 33.852 1.00 0.00 C ATOM 1124 C GLY A 68 42.400 18.052 34.728 1.00 0.00 C ATOM 1125 O GLY A 68 42.624 17.928 35.931 1.00 0.00 O ATOM 0 H GLY A 68 40.410 16.908 32.973 1.00 0.00 H new ATOM 0 HA2 GLY A 68 41.909 16.016 34.445 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.258 16.579 33.478 1.00 0.00 H new ATOM 1129 N GLN A 69 42.296 19.272 34.170 1.00 0.00 N ATOM 1130 CA GLN A 69 42.549 20.488 34.877 1.00 0.00 C ATOM 1131 C GLN A 69 41.288 21.114 35.364 1.00 0.00 C ATOM 1132 O GLN A 69 40.775 22.115 34.864 1.00 0.00 O ATOM 1133 CB GLN A 69 43.370 21.479 34.035 1.00 0.00 C ATOM 1134 CG GLN A 69 44.743 20.907 33.672 1.00 0.00 C ATOM 1135 CD GLN A 69 45.177 21.192 32.241 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.246 21.750 31.995 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.359 20.759 31.244 1.00 0.00 N ATOM 0 H GLN A 69 42.027 19.416 33.197 1.00 0.00 H new ATOM 0 HA GLN A 69 43.147 20.227 35.750 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.824 21.723 33.124 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.497 22.409 34.588 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.487 21.317 34.354 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.728 19.828 33.828 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.477 20.299 31.471 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.627 20.894 30.269 1.00 0.00 H new ATOM 1146 N GLU A 70 40.767 20.512 36.448 1.00 0.00 N ATOM 1147 CA GLU A 70 39.517 20.789 37.086 1.00 0.00 C ATOM 1148 C GLU A 70 39.538 22.057 37.868 1.00 0.00 C ATOM 1149 O GLU A 70 38.496 22.659 38.124 1.00 0.00 O ATOM 1150 CB GLU A 70 39.074 19.587 37.938 1.00 0.00 C ATOM 1151 CG GLU A 70 39.000 18.307 37.102 1.00 0.00 C ATOM 1152 CD GLU A 70 38.373 17.114 37.810 1.00 0.00 C ATOM 1153 OE1 GLU A 70 37.886 17.235 38.966 1.00 0.00 O ATOM 1154 OE2 GLU A 70 38.342 16.019 37.187 1.00 0.00 O ATOM 0 H GLU A 70 41.270 19.761 36.921 1.00 0.00 H new ATOM 0 HA GLU A 70 38.774 20.942 36.303 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.774 19.445 38.762 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.099 19.792 38.380 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.430 18.514 36.196 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.008 18.036 36.789 1.00 0.00 H new ATOM 1161 N ASP A 71 40.742 22.556 38.201 1.00 0.00 N ATOM 1162 CA ASP A 71 41.027 23.814 38.818 1.00 0.00 C ATOM 1163 C ASP A 71 40.483 24.975 38.057 1.00 0.00 C ATOM 1164 O ASP A 71 40.131 26.012 38.616 1.00 0.00 O ATOM 1165 CB ASP A 71 42.558 23.900 38.930 1.00 0.00 C ATOM 1166 CG ASP A 71 43.057 24.943 39.919 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.862 24.731 41.146 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.678 25.954 39.494 1.00 0.00 O ATOM 0 H ASP A 71 41.595 22.027 38.020 1.00 0.00 H new ATOM 0 HA ASP A 71 40.543 23.865 39.793 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.944 22.924 39.224 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.970 24.123 37.946 1.00 0.00 H new ATOM 1173 N LEU A 72 40.378 24.847 36.722 1.00 0.00 N ATOM 1174 CA LEU A 72 39.777 25.822 35.864 1.00 0.00 C ATOM 1175 C LEU A 72 38.289 25.760 35.886 1.00 0.00 C ATOM 1176 O LEU A 72 37.613 26.760 36.121 1.00 0.00 O ATOM 1177 CB LEU A 72 40.348 25.637 34.448 1.00 0.00 C ATOM 1178 CG LEU A 72 41.878 25.783 34.378 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.389 25.564 32.944 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.377 27.143 34.893 1.00 0.00 C ATOM 0 H LEU A 72 40.726 24.031 36.219 1.00 0.00 H new ATOM 0 HA LEU A 72 40.023 26.820 36.227 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.068 24.651 34.078 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.891 26.369 33.782 1.00 0.00 H new ATOM 0 HG LEU A 72 42.280 25.012 35.035 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.473 25.673 32.924 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.119 24.562 32.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.938 26.301 32.280 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.464 27.184 34.818 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.941 27.942 34.293 1.00 0.00 H new ATOM 0 HD23 LEU A 72 42.080 27.269 35.934 1.00 0.00 H new ATOM 1192 N LEU A 73 37.685 24.573 35.698 1.00 0.00 N ATOM 1193 CA LEU A 73 36.275 24.362 35.604 1.00 0.00 C ATOM 1194 C LEU A 73 35.532 24.660 36.861 1.00 0.00 C ATOM 1195 O LEU A 73 34.327 24.911 36.879 1.00 0.00 O ATOM 1196 CB LEU A 73 35.934 22.916 35.207 1.00 0.00 C ATOM 1197 CG LEU A 73 36.231 22.513 33.753 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.492 23.377 32.718 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.740 22.472 33.459 1.00 0.00 C ATOM 0 H LEU A 73 38.216 23.707 35.606 1.00 0.00 H new ATOM 0 HA LEU A 73 35.959 25.064 34.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.483 22.243 35.866 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.873 22.752 35.396 1.00 0.00 H new ATOM 0 HG LEU A 73 35.841 21.501 33.650 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.747 23.039 31.714 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.416 23.286 32.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.788 24.419 32.836 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.901 22.183 32.420 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.171 23.458 33.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.219 21.746 34.116 1.00 0.00 H new ATOM 1211 N SER A 74 36.250 24.663 37.999 1.00 0.00 N ATOM 1212 CA SER A 74 35.746 25.041 39.283 1.00 0.00 C ATOM 1213 C SER A 74 35.368 26.478 39.368 1.00 0.00 C ATOM 1214 O SER A 74 34.255 26.823 39.764 1.00 0.00 O ATOM 1215 CB SER A 74 36.641 24.612 40.458 1.00 0.00 C ATOM 1216 OG SER A 74 37.828 25.381 40.590 1.00 0.00 O ATOM 0 H SER A 74 37.232 24.388 38.024 1.00 0.00 H new ATOM 0 HA SER A 74 34.824 24.469 39.387 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.069 24.684 41.383 1.00 0.00 H new ATOM 0 HB3 SER A 74 36.911 23.564 40.332 1.00 0.00 H new ATOM 0 HG SER A 74 38.321 25.370 39.743 1.00 0.00 H new ATOM 1222 N GLU A 75 36.246 27.392 38.918 1.00 0.00 N ATOM 1223 CA GLU A 75 35.973 28.788 38.771 1.00 0.00 C ATOM 1224 C GLU A 75 35.084 29.098 37.616 1.00 0.00 C ATOM 1225 O GLU A 75 34.421 30.133 37.591 1.00 0.00 O ATOM 1226 CB GLU A 75 37.251 29.641 38.693 1.00 0.00 C ATOM 1227 CG GLU A 75 37.737 30.115 40.064 1.00 0.00 C ATOM 1228 CD GLU A 75 38.862 31.138 39.984 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.362 31.439 38.868 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.270 31.674 41.049 1.00 0.00 O ATOM 0 H GLU A 75 37.196 27.144 38.642 1.00 0.00 H new ATOM 0 HA GLU A 75 35.438 29.057 39.682 1.00 0.00 H new ATOM 0 HB2 GLU A 75 38.040 29.061 38.214 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.064 30.508 38.060 1.00 0.00 H new ATOM 0 HG2 GLU A 75 36.899 30.549 40.609 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.079 29.254 40.638 1.00 0.00 H new ATOM 1237 N PHE A 76 34.967 28.192 36.629 1.00 0.00 N ATOM 1238 CA PHE A 76 34.002 28.301 35.580 1.00 0.00 C ATOM 1239 C PHE A 76 32.613 28.091 36.074 1.00 0.00 C ATOM 1240 O PHE A 76 31.629 28.572 35.515 1.00 0.00 O ATOM 1241 CB PHE A 76 34.363 27.260 34.507 1.00 0.00 C ATOM 1242 CG PHE A 76 33.943 27.526 33.102 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.932 28.784 32.547 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.699 26.445 32.289 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.678 28.954 31.206 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.463 26.603 30.944 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.443 27.866 30.401 1.00 0.00 C ATOM 0 H PHE A 76 35.558 27.363 36.559 1.00 0.00 H new ATOM 0 HA PHE A 76 34.028 29.309 35.165 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.446 27.136 34.514 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.931 26.306 34.809 1.00 0.00 H new ATOM 0 HD1 PHE A 76 34.124 29.646 33.169 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.693 25.453 32.715 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.663 29.948 30.784 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.294 25.740 30.317 1.00 0.00 H new ATOM 0 HZ PHE A 76 33.244 28.002 29.348 1.00 0.00 H new ATOM 1257 N GLY A 77 32.496 27.382 37.211 1.00 0.00 N ATOM 1258 CA GLY A 77 31.304 26.990 37.898 1.00 0.00 C ATOM 1259 C GLY A 77 30.519 28.077 38.548 1.00 0.00 C ATOM 1260 O GLY A 77 29.364 27.875 38.920 1.00 0.00 O ATOM 0 H GLY A 77 33.328 27.049 37.699 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.654 26.479 37.188 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.575 26.262 38.663 1.00 0.00 H new ATOM 1264 N GLN A 78 31.092 29.272 38.775 1.00 0.00 N ATOM 1265 CA GLN A 78 30.437 30.335 39.471 1.00 0.00 C ATOM 1266 C GLN A 78 29.163 30.788 38.844 1.00 0.00 C ATOM 1267 O GLN A 78 28.126 30.912 39.493 1.00 0.00 O ATOM 1268 CB GLN A 78 31.373 31.550 39.594 1.00 0.00 C ATOM 1269 CG GLN A 78 32.723 31.173 40.209 1.00 0.00 C ATOM 1270 CD GLN A 78 33.653 32.376 40.275 1.00 0.00 C ATOM 1271 OE1 GLN A 78 33.414 33.359 40.976 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.760 32.302 39.490 1.00 0.00 N ATOM 0 H GLN A 78 32.036 29.505 38.466 1.00 0.00 H new ATOM 0 HA GLN A 78 30.187 29.922 40.448 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.533 31.986 38.608 1.00 0.00 H new ATOM 0 HB3 GLN A 78 30.896 32.315 40.207 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.570 30.773 41.211 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.187 30.383 39.618 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.927 31.472 38.921 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.423 33.076 39.470 1.00 0.00 H new ATOM 1466 N ASN B 201 28.170 36.296 33.510 1.00 0.00 N ATOM 1467 CA ASN B 201 27.663 35.544 32.403 1.00 0.00 C ATOM 1468 C ASN B 201 28.743 35.406 31.386 1.00 0.00 C ATOM 1469 O ASN B 201 29.596 36.282 31.265 1.00 0.00 O ATOM 1470 CB ASN B 201 26.416 36.255 31.853 1.00 0.00 C ATOM 1471 CG ASN B 201 25.566 35.437 30.890 1.00 0.00 C ATOM 1472 OD1 ASN B 201 25.968 34.423 30.323 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.304 35.898 30.677 1.00 0.00 N ATOM 0 HA ASN B 201 27.362 34.540 32.702 1.00 0.00 H new ATOM 0 HB2 ASN B 201 25.792 36.558 32.694 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.733 37.167 31.346 1.00 0.00 H new ATOM 0 HD21 ASN B 201 23.680 35.401 30.041 1.00 0.00 H new ATOM 0 HD22 ASN B 201 23.982 36.740 31.153 1.00 0.00 H new ATOM 1480 N ILE B 202 28.795 34.294 30.631 1.00 0.00 N ATOM 1481 CA ILE B 202 29.930 33.883 29.865 1.00 0.00 C ATOM 1482 C ILE B 202 30.393 34.854 28.832 1.00 0.00 C ATOM 1483 O ILE B 202 31.577 34.891 28.503 1.00 0.00 O ATOM 1484 CB ILE B 202 29.824 32.462 29.400 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.651 31.586 30.356 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.232 32.259 27.931 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.646 30.083 30.076 1.00 0.00 C ATOM 0 H ILE B 202 28.007 33.651 30.551 1.00 0.00 H new ATOM 0 HA ILE B 202 30.763 33.897 30.567 1.00 0.00 H new ATOM 0 HB ILE B 202 28.775 32.166 29.428 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.683 31.935 30.332 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.284 31.746 31.370 1.00 0.00 H new ATOM 0 HG21 ILE B 202 30.129 31.206 27.667 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.588 32.859 27.288 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.269 32.568 27.795 1.00 0.00 H new ATOM 0 HD11 ILE B 202 31.263 29.573 30.816 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.625 29.706 30.133 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.046 29.897 29.079 1.00 0.00 H new ATOM 1499 N GLN B 203 29.515 35.756 28.359 1.00 0.00 N ATOM 1500 CA GLN B 203 29.823 36.937 27.613 1.00 0.00 C ATOM 1501 C GLN B 203 31.013 37.720 28.054 1.00 0.00 C ATOM 1502 O GLN B 203 31.776 38.219 27.229 1.00 0.00 O ATOM 1503 CB GLN B 203 28.594 37.844 27.447 1.00 0.00 C ATOM 1504 CG GLN B 203 28.115 38.656 28.653 1.00 0.00 C ATOM 1505 CD GLN B 203 28.878 39.951 28.892 1.00 0.00 C ATOM 1506 OE1 GLN B 203 29.289 40.268 30.007 1.00 0.00 O ATOM 1507 NE2 GLN B 203 29.075 40.754 27.812 1.00 0.00 N ATOM 0 H GLN B 203 28.512 35.650 28.511 1.00 0.00 H new ATOM 0 HA GLN B 203 30.120 36.540 26.642 1.00 0.00 H new ATOM 0 HB2 GLN B 203 28.806 38.545 26.639 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.764 37.219 27.117 1.00 0.00 H new ATOM 0 HG2 GLN B 203 27.059 38.892 28.519 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.192 38.035 29.546 1.00 0.00 H new ATOM 0 HE21 GLN B 203 28.726 40.472 26.896 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.572 41.638 27.918 1.00 0.00 H new ATOM 1516 N MET B 204 31.255 37.792 29.376 1.00 0.00 N ATOM 1517 CA MET B 204 32.403 38.345 30.024 1.00 0.00 C ATOM 1518 C MET B 204 33.701 37.835 29.498 1.00 0.00 C ATOM 1519 O MET B 204 34.668 38.579 29.344 1.00 0.00 O ATOM 1520 CB MET B 204 32.387 37.991 31.520 1.00 0.00 C ATOM 1521 CG MET B 204 31.318 38.714 32.343 1.00 0.00 C ATOM 1522 SD MET B 204 31.783 40.396 32.849 1.00 0.00 S ATOM 1523 CE MET B 204 31.567 40.095 34.627 1.00 0.00 C ATOM 0 H MET B 204 30.583 37.428 30.051 1.00 0.00 H new ATOM 0 HA MET B 204 32.339 39.417 29.838 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.238 36.916 31.622 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.366 38.219 31.943 1.00 0.00 H new ATOM 0 HG2 MET B 204 30.398 38.763 31.761 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.101 38.125 33.234 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.799 41.005 35.181 1.00 0.00 H new ATOM 0 HE2 MET B 204 30.535 39.803 34.824 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.237 39.296 34.945 1.00 0.00 H new ATOM 1533 N LEU B 205 33.783 36.529 29.190 1.00 0.00 N ATOM 1534 CA LEU B 205 34.993 35.875 28.797 1.00 0.00 C ATOM 1535 C LEU B 205 35.490 36.242 27.442 1.00 0.00 C ATOM 1536 O LEU B 205 36.695 36.300 27.196 1.00 0.00 O ATOM 1537 CB LEU B 205 34.894 34.349 28.957 1.00 0.00 C ATOM 1538 CG LEU B 205 34.816 33.865 30.414 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.678 32.334 30.455 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.057 34.280 31.223 1.00 0.00 C ATOM 0 H LEU B 205 32.977 35.905 29.215 1.00 0.00 H new ATOM 0 HA LEU B 205 35.745 36.252 29.490 1.00 0.00 H new ATOM 0 HB2 LEU B 205 34.012 33.997 28.423 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.760 33.889 28.481 1.00 0.00 H new ATOM 0 HG LEU B 205 33.941 34.333 30.865 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.624 32.001 31.492 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.770 32.036 29.930 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.542 31.878 29.972 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.962 33.918 32.247 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.949 33.849 30.768 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.141 35.367 31.229 1.00 0.00 H new ATOM 1552 N LEU B 206 34.564 36.574 26.523 1.00 0.00 N ATOM 1553 CA LEU B 206 34.885 37.025 25.205 1.00 0.00 C ATOM 1554 C LEU B 206 35.274 38.463 25.192 1.00 0.00 C ATOM 1555 O LEU B 206 35.948 38.928 24.274 1.00 0.00 O ATOM 1556 CB LEU B 206 33.666 36.721 24.318 1.00 0.00 C ATOM 1557 CG LEU B 206 33.266 35.237 24.279 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.476 34.311 24.063 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.390 34.739 25.440 1.00 0.00 C ATOM 0 H LEU B 206 33.561 36.527 26.704 1.00 0.00 H new ATOM 0 HA LEU B 206 35.759 36.502 24.816 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.817 37.305 24.675 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.878 37.055 23.302 1.00 0.00 H new ATOM 0 HG LEU B 206 32.616 35.183 23.406 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.141 33.274 24.043 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.957 34.556 23.116 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.188 34.447 24.877 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.173 33.680 25.304 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.919 34.883 26.382 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.456 35.301 25.458 1.00 0.00 H new ATOM 1571 N GLU B 207 34.913 39.212 26.250 1.00 0.00 N ATOM 1572 CA GLU B 207 35.364 40.551 26.469 1.00 0.00 C ATOM 1573 C GLU B 207 36.718 40.567 27.090 1.00 0.00 C ATOM 1574 O GLU B 207 37.629 41.243 26.615 1.00 0.00 O ATOM 1575 CB GLU B 207 34.412 41.389 27.341 1.00 0.00 C ATOM 1576 CG GLU B 207 33.069 41.688 26.675 1.00 0.00 C ATOM 1577 CD GLU B 207 32.345 42.850 27.340 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.957 43.941 27.497 1.00 0.00 O ATOM 1579 OE2 GLU B 207 31.142 42.718 27.689 1.00 0.00 O ATOM 0 H GLU B 207 34.285 38.873 26.978 1.00 0.00 H new ATOM 0 HA GLU B 207 35.394 41.006 25.479 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.233 40.861 28.278 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.900 42.331 27.594 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.231 41.917 25.622 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.439 40.799 26.715 1.00 0.00 H new ATOM 1586 N ALA B 208 36.899 39.784 28.169 1.00 0.00 N ATOM 1587 CA ALA B 208 38.110 39.603 28.908 1.00 0.00 C ATOM 1588 C ALA B 208 39.242 39.097 28.081 1.00 0.00 C ATOM 1589 O ALA B 208 40.375 39.555 28.215 1.00 0.00 O ATOM 1590 CB ALA B 208 37.862 38.662 30.099 1.00 0.00 C ATOM 0 H ALA B 208 36.133 39.232 28.555 1.00 0.00 H new ATOM 0 HA ALA B 208 38.407 40.590 29.264 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.789 38.529 30.657 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.104 39.094 30.752 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.517 37.695 29.733 1.00 0.00 H new ATOM 1596 N ALA B 209 38.981 38.166 27.145 1.00 0.00 N ATOM 1597 CA ALA B 209 39.954 37.674 26.220 1.00 0.00 C ATOM 1598 C ALA B 209 40.507 38.695 25.286 1.00 0.00 C ATOM 1599 O ALA B 209 41.696 38.664 24.970 1.00 0.00 O ATOM 1600 CB ALA B 209 39.362 36.515 25.399 1.00 0.00 C ATOM 0 H ALA B 209 38.061 37.742 27.029 1.00 0.00 H new ATOM 0 HA ALA B 209 40.789 37.342 26.837 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.110 36.147 24.697 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.065 35.708 26.070 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.490 36.868 24.848 1.00 0.00 H new ATOM 1606 N ASP B 210 39.694 39.653 24.808 1.00 0.00 N ATOM 1607 CA ASP B 210 40.138 40.698 23.938 1.00 0.00 C ATOM 1608 C ASP B 210 40.932 41.720 24.675 1.00 0.00 C ATOM 1609 O ASP B 210 41.966 42.190 24.201 1.00 0.00 O ATOM 1610 CB ASP B 210 38.928 41.314 23.215 1.00 0.00 C ATOM 1611 CG ASP B 210 39.373 42.225 22.082 1.00 0.00 C ATOM 1612 OD1 ASP B 210 40.020 41.730 21.122 1.00 0.00 O ATOM 1613 OD2 ASP B 210 39.132 43.461 22.160 1.00 0.00 O ATOM 0 H ASP B 210 38.700 39.703 25.032 1.00 0.00 H new ATOM 0 HA ASP B 210 40.806 40.276 23.188 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.294 40.520 22.820 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.325 41.880 23.925 1.00 0.00 H new ATOM 1618 N TYR B 211 40.494 42.074 25.897 1.00 0.00 N ATOM 1619 CA TYR B 211 41.137 42.920 26.853 1.00 0.00 C ATOM 1620 C TYR B 211 42.508 42.465 27.220 1.00 0.00 C ATOM 1621 O TYR B 211 43.459 43.246 27.224 1.00 0.00 O ATOM 1622 CB TYR B 211 40.185 42.998 28.059 1.00 0.00 C ATOM 1623 CG TYR B 211 40.717 43.570 29.327 1.00 0.00 C ATOM 1624 CD1 TYR B 211 40.689 44.925 29.557 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.166 42.731 30.319 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.083 45.434 30.773 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.565 43.232 31.536 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.508 44.586 31.768 1.00 0.00 C ATOM 1629 OH TYR B 211 41.853 45.103 33.034 1.00 0.00 O ATOM 0 H TYR B 211 39.599 41.731 26.247 1.00 0.00 H new ATOM 0 HA TYR B 211 41.311 43.910 26.431 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.317 43.588 27.763 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.828 41.990 28.270 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.355 45.595 28.778 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.206 41.667 30.141 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.058 46.500 30.946 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.922 42.565 32.306 1.00 0.00 H new ATOM 0 HH TYR B 211 42.131 44.370 33.622 1.00 0.00 H new ATOM 1639 N LEU B 212 42.684 41.168 27.533 1.00 0.00 N ATOM 1640 CA LEU B 212 43.925 40.597 27.955 1.00 0.00 C ATOM 1641 C LEU B 212 44.967 40.456 26.899 1.00 0.00 C ATOM 1642 O LEU B 212 46.155 40.373 27.206 1.00 0.00 O ATOM 1643 CB LEU B 212 43.672 39.257 28.667 1.00 0.00 C ATOM 1644 CG LEU B 212 43.659 39.369 30.201 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.037 38.076 30.755 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.054 39.607 30.801 1.00 0.00 C ATOM 0 H LEU B 212 41.926 40.487 27.490 1.00 0.00 H new ATOM 0 HA LEU B 212 44.352 41.322 28.648 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.717 38.852 28.332 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.442 38.546 28.369 1.00 0.00 H new ATOM 0 HG LEU B 212 43.071 40.242 30.485 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.012 38.122 31.844 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.022 37.968 30.373 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.636 37.221 30.441 1.00 0.00 H new ATOM 0 HD21 LEU B 212 44.976 39.677 31.886 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.710 38.778 30.537 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.466 40.536 30.406 1.00 0.00 H new ATOM 1658 N GLU B 213 44.597 40.436 25.606 1.00 0.00 N ATOM 1659 CA GLU B 213 45.531 40.536 24.528 1.00 0.00 C ATOM 1660 C GLU B 213 46.266 41.831 24.513 1.00 0.00 C ATOM 1661 O GLU B 213 47.468 41.903 24.264 1.00 0.00 O ATOM 1662 CB GLU B 213 44.880 40.375 23.143 1.00 0.00 C ATOM 1663 CG GLU B 213 44.610 38.929 22.727 1.00 0.00 C ATOM 1664 CD GLU B 213 44.291 38.858 21.240 1.00 0.00 C ATOM 1665 OE1 GLU B 213 45.180 39.217 20.422 1.00 0.00 O ATOM 1666 OE2 GLU B 213 43.152 38.465 20.869 1.00 0.00 O ATOM 0 H GLU B 213 43.627 40.348 25.303 1.00 0.00 H new ATOM 0 HA GLU B 213 46.221 39.713 24.713 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.938 40.923 23.134 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.526 40.839 22.397 1.00 0.00 H new ATOM 0 HG2 GLU B 213 45.480 38.311 22.949 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.777 38.527 23.304 1.00 0.00 H new ATOM 1673 N ARG B 214 45.562 42.933 24.827 1.00 0.00 N ATOM 1674 CA ARG B 214 46.094 44.261 24.817 1.00 0.00 C ATOM 1675 C ARG B 214 47.108 44.494 25.884 1.00 0.00 C ATOM 1676 O ARG B 214 47.917 45.418 25.821 1.00 0.00 O ATOM 1677 CB ARG B 214 44.970 45.301 24.954 1.00 0.00 C ATOM 1678 CG ARG B 214 43.765 45.099 24.034 1.00 0.00 C ATOM 1679 CD ARG B 214 42.727 46.210 24.204 1.00 0.00 C ATOM 1680 NE ARG B 214 41.445 45.726 23.619 1.00 0.00 N ATOM 1681 CZ ARG B 214 40.358 46.534 23.455 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.363 47.855 23.801 1.00 0.00 N ATOM 1683 NH2 ARG B 214 39.219 46.015 22.907 1.00 0.00 N ATOM 0 H ARG B 214 44.580 42.897 25.100 1.00 0.00 H new ATOM 0 HA ARG B 214 46.594 44.374 23.855 1.00 0.00 H new ATOM 0 HB2 ARG B 214 44.620 45.297 25.986 1.00 0.00 H new ATOM 0 HB3 ARG B 214 45.389 46.289 24.763 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.100 45.070 22.997 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.303 44.135 24.246 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.598 46.455 25.258 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.056 47.121 23.703 1.00 0.00 H new ATOM 0 HE ARG B 214 41.377 44.750 23.329 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.203 48.275 24.200 1.00 0.00 H new ATOM 0 HH12 ARG B 214 39.527 48.422 23.661 1.00 0.00 H new ATOM 0 HH21 ARG B 214 39.189 45.035 22.626 1.00 0.00 H new ATOM 0 HH22 ARG B 214 38.399 46.608 22.779 1.00 0.00 H new ATOM 1697 N ARG B 215 47.113 43.667 26.945 1.00 0.00 N ATOM 1698 CA ARG B 215 48.113 43.693 27.966 1.00 0.00 C ATOM 1699 C ARG B 215 49.422 43.136 27.524 1.00 0.00 C ATOM 1700 O ARG B 215 50.475 43.562 27.999 1.00 0.00 O ATOM 1701 CB ARG B 215 47.637 42.948 29.226 1.00 0.00 C ATOM 1702 CG ARG B 215 46.540 43.720 29.962 1.00 0.00 C ATOM 1703 CD ARG B 215 46.403 43.313 31.431 1.00 0.00 C ATOM 1704 NE ARG B 215 45.488 44.308 32.058 1.00 0.00 N ATOM 1705 CZ ARG B 215 45.461 44.543 33.401 1.00 0.00 C ATOM 1706 NH1 ARG B 215 46.072 43.738 34.318 1.00 0.00 N ATOM 1707 NH2 ARG B 215 44.850 45.678 33.853 1.00 0.00 N ATOM 0 H ARG B 215 46.397 42.957 27.097 1.00 0.00 H new ATOM 0 HA ARG B 215 48.269 44.747 28.197 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.263 41.963 28.946 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.482 42.790 29.896 1.00 0.00 H new ATOM 0 HG2 ARG B 215 46.754 44.787 29.905 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.588 43.559 29.456 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.999 42.304 31.519 1.00 0.00 H new ATOM 0 HD3 ARG B 215 47.374 43.312 31.926 1.00 0.00 H new ATOM 0 HE ARG B 215 44.855 44.836 31.457 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.583 42.910 34.010 1.00 0.00 H new ATOM 0 HH12 ARG B 215 46.018 43.964 35.311 1.00 0.00 H new ATOM 0 HH21 ARG B 215 44.427 46.328 33.190 1.00 0.00 H new ATOM 0 HH22 ARG B 215 44.817 45.876 34.853 1.00 0.00 H new