USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 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 :FLIP no HE2:sc= 0.0339 F(o=-0.85,f=-0.24) USER MOD Set 1.2: A 39 GLN :FLIP amide:sc= -0.275 F(o=-1.5!,f=-0.24) USER MOD Single : A 8 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.5!) USER MOD Single : A 9 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.2!) USER MOD Single : A 12 SER OG : rot 80:sc= 0.0192 USER MOD Single : A 13 TYR OH : rot 47:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc= -0.0398 K(o=-0.04,f=-2.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 24 HIS :FLIP no HE2:sc= 0.134 F(o=-1,f=0.13) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 34:sc= 0.0265 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= 0.625 K(o=0.63,f=-0.12) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.467 K(o=0.47,f=-0.49) USER MOD Single : B 201 ASN : amide:sc=-0.00147 X(o=-0.0015,f=0.35) USER MOD Single : B 203 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : B 204 MET CE :methyl 171:sc= 0 (180deg=-0.146) USER MOD Single : B 211 TYR OH : rot 180:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 35.777 44.773 39.686 1.00 0.00 N ATOM 53 CA VAL A 5 36.052 43.622 40.489 1.00 0.00 C ATOM 54 C VAL A 5 35.730 42.304 39.873 1.00 0.00 C ATOM 55 O VAL A 5 36.596 41.449 39.692 1.00 0.00 O ATOM 56 CB VAL A 5 35.317 43.719 41.793 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.749 42.588 42.742 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.614 45.094 42.415 1.00 0.00 C ATOM 0 HA VAL A 5 37.134 43.640 40.616 1.00 0.00 H new ATOM 0 HB VAL A 5 34.245 43.614 41.624 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.205 42.675 43.683 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.529 41.624 42.283 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.819 42.663 42.933 1.00 0.00 H new ATOM 0 HG21 VAL A 5 35.088 45.185 43.365 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.686 45.193 42.583 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.278 45.880 41.738 1.00 0.00 H new ATOM 68 N GLU A 6 34.453 42.063 39.525 1.00 0.00 N ATOM 69 CA GLU A 6 34.031 40.776 39.071 1.00 0.00 C ATOM 70 C GLU A 6 34.346 40.548 37.632 1.00 0.00 C ATOM 71 O GLU A 6 34.525 39.416 37.185 1.00 0.00 O ATOM 72 CB GLU A 6 32.546 40.509 39.373 1.00 0.00 C ATOM 73 CG GLU A 6 31.570 41.230 38.442 1.00 0.00 C ATOM 74 CD GLU A 6 30.126 41.064 38.896 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.664 39.918 39.144 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.412 42.097 39.014 1.00 0.00 O ATOM 0 H GLU A 6 33.711 42.763 39.559 1.00 0.00 H new ATOM 0 HA GLU A 6 34.610 40.050 39.641 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.363 39.436 39.311 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.337 40.809 40.400 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.819 42.290 38.405 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.679 40.841 37.430 1.00 0.00 H new ATOM 83 N PHE A 7 34.558 41.652 36.894 1.00 0.00 N ATOM 84 CA PHE A 7 35.199 41.607 35.617 1.00 0.00 C ATOM 85 C PHE A 7 36.581 41.067 35.750 1.00 0.00 C ATOM 86 O PHE A 7 36.955 40.159 35.009 1.00 0.00 O ATOM 87 CB PHE A 7 35.165 42.972 34.911 1.00 0.00 C ATOM 88 CG PHE A 7 35.723 42.993 33.529 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.443 42.007 32.613 1.00 0.00 C ATOM 90 CD2 PHE A 7 36.524 44.038 33.135 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.944 42.060 31.334 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.053 44.095 31.867 1.00 0.00 C ATOM 93 CZ PHE A 7 36.753 43.107 30.959 1.00 0.00 C ATOM 0 H PHE A 7 34.281 42.589 37.188 1.00 0.00 H new ATOM 0 HA PHE A 7 34.639 40.925 34.977 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.131 43.316 34.872 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.717 43.689 35.518 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.818 41.176 32.903 1.00 0.00 H new ATOM 0 HD2 PHE A 7 36.742 44.830 33.835 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.703 41.281 30.625 1.00 0.00 H new ATOM 0 HE2 PHE A 7 37.701 44.912 31.586 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.151 43.153 29.956 1.00 0.00 H new ATOM 103 N ASN A 8 37.351 41.493 36.768 1.00 0.00 N ATOM 104 CA ASN A 8 38.702 41.094 37.012 1.00 0.00 C ATOM 105 C ASN A 8 38.810 39.689 37.496 1.00 0.00 C ATOM 106 O ASN A 8 39.855 39.051 37.376 1.00 0.00 O ATOM 107 CB ASN A 8 39.436 42.025 37.991 1.00 0.00 C ATOM 108 CG ASN A 8 39.701 43.376 37.344 1.00 0.00 C ATOM 109 OD1 ASN A 8 39.570 43.571 36.136 1.00 0.00 O ATOM 110 ND2 ASN A 8 40.133 44.367 38.170 1.00 0.00 N ATOM 0 H ASN A 8 37.008 42.157 37.462 1.00 0.00 H new ATOM 0 HA ASN A 8 39.188 41.166 36.039 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.838 42.158 38.893 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.378 41.571 38.297 1.00 0.00 H new ATOM 0 HD21 ASN A 8 40.353 45.288 37.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 40.236 44.189 39.169 1.00 0.00 H new ATOM 117 N ASN A 9 37.727 39.107 38.043 1.00 0.00 N ATOM 118 CA ASN A 9 37.671 37.716 38.366 1.00 0.00 C ATOM 119 C ASN A 9 37.387 36.881 37.165 1.00 0.00 C ATOM 120 O ASN A 9 37.819 35.732 37.083 1.00 0.00 O ATOM 121 CB ASN A 9 36.661 37.443 39.494 1.00 0.00 C ATOM 122 CG ASN A 9 37.236 38.029 40.775 1.00 0.00 C ATOM 123 OD1 ASN A 9 38.429 37.892 41.047 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.385 38.700 41.596 1.00 0.00 N ATOM 0 H ASN A 9 36.871 39.615 38.266 1.00 0.00 H new ATOM 0 HA ASN A 9 38.657 37.429 38.731 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.697 37.897 39.264 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.491 36.372 39.605 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.730 39.107 42.465 1.00 0.00 H new ATOM 0 HD22 ASN A 9 35.402 38.796 41.343 1.00 0.00 H new ATOM 131 N ALA A 10 36.724 37.450 36.142 1.00 0.00 N ATOM 132 CA ALA A 10 36.675 36.867 34.838 1.00 0.00 C ATOM 133 C ALA A 10 37.999 36.937 34.157 1.00 0.00 C ATOM 134 O ALA A 10 38.467 35.923 33.642 1.00 0.00 O ATOM 135 CB ALA A 10 35.538 37.462 33.990 1.00 0.00 C ATOM 0 H ALA A 10 36.214 38.329 36.222 1.00 0.00 H new ATOM 0 HA ALA A 10 36.444 35.809 34.959 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.534 36.993 33.006 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.583 37.280 34.483 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.690 38.536 33.879 1.00 0.00 H new ATOM 141 N ILE A 11 38.705 38.082 34.182 1.00 0.00 N ATOM 142 CA ILE A 11 40.027 38.274 33.674 1.00 0.00 C ATOM 143 C ILE A 11 41.005 37.265 34.170 1.00 0.00 C ATOM 144 O ILE A 11 41.685 36.587 33.401 1.00 0.00 O ATOM 145 CB ILE A 11 40.605 39.617 34.007 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.736 40.793 33.532 1.00 0.00 C ATOM 147 CG2 ILE A 11 41.979 39.845 33.352 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.196 40.658 32.109 1.00 0.00 C ATOM 0 H ILE A 11 38.321 38.936 34.588 1.00 0.00 H new ATOM 0 HA ILE A 11 39.889 38.174 32.597 1.00 0.00 H new ATOM 0 HB ILE A 11 40.671 39.597 35.095 1.00 0.00 H new ATOM 0 HG12 ILE A 11 38.894 40.904 34.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.323 41.709 33.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.353 40.832 33.625 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.678 39.084 33.698 1.00 0.00 H new ATOM 0 HG23 ILE A 11 41.881 39.781 32.268 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.595 41.534 31.863 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.029 40.581 31.410 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.578 39.763 32.038 1.00 0.00 H new ATOM 160 N SER A 12 41.076 37.106 35.504 1.00 0.00 N ATOM 161 CA SER A 12 41.934 36.162 36.151 1.00 0.00 C ATOM 162 C SER A 12 41.694 34.742 35.770 1.00 0.00 C ATOM 163 O SER A 12 42.619 33.930 35.799 1.00 0.00 O ATOM 164 CB SER A 12 41.910 36.265 37.686 1.00 0.00 C ATOM 165 OG SER A 12 42.555 37.464 38.088 1.00 0.00 O ATOM 0 H SER A 12 40.515 37.655 36.156 1.00 0.00 H new ATOM 0 HA SER A 12 42.919 36.449 35.784 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.881 36.254 38.046 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.411 35.404 38.127 1.00 0.00 H new ATOM 0 HG SER A 12 41.939 38.219 37.981 1.00 0.00 H new ATOM 171 N TYR A 13 40.474 34.392 35.328 1.00 0.00 N ATOM 172 CA TYR A 13 40.171 33.110 34.770 1.00 0.00 C ATOM 173 C TYR A 13 40.823 32.912 33.444 1.00 0.00 C ATOM 174 O TYR A 13 41.584 31.965 33.250 1.00 0.00 O ATOM 175 CB TYR A 13 38.650 32.926 34.644 1.00 0.00 C ATOM 176 CG TYR A 13 38.186 31.539 34.358 1.00 0.00 C ATOM 177 CD1 TYR A 13 38.914 30.406 34.630 1.00 0.00 C ATOM 178 CD2 TYR A 13 36.963 31.420 33.742 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.451 29.171 34.241 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.490 30.190 33.349 1.00 0.00 C ATOM 181 CZ TYR A 13 37.251 29.068 33.578 1.00 0.00 C ATOM 182 OH TYR A 13 36.826 27.807 33.111 1.00 0.00 O ATOM 0 H TYR A 13 39.672 35.021 35.360 1.00 0.00 H new ATOM 0 HA TYR A 13 40.569 32.357 35.450 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.185 33.261 35.571 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.288 33.581 33.851 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.856 30.486 35.153 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.367 32.303 33.565 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.029 28.284 34.456 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.528 30.106 32.864 1.00 0.00 H new ATOM 0 HH TYR A 13 36.932 27.142 33.823 1.00 0.00 H new ATOM 192 N VAL A 14 40.594 33.826 32.485 1.00 0.00 N ATOM 193 CA VAL A 14 41.175 33.835 31.178 1.00 0.00 C ATOM 194 C VAL A 14 42.664 33.848 31.216 1.00 0.00 C ATOM 195 O VAL A 14 43.331 33.143 30.460 1.00 0.00 O ATOM 196 CB VAL A 14 40.688 34.983 30.345 1.00 0.00 C ATOM 197 CG1 VAL A 14 40.822 34.667 28.845 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.192 35.258 30.570 1.00 0.00 C ATOM 0 H VAL A 14 39.960 34.611 32.633 1.00 0.00 H new ATOM 0 HA VAL A 14 40.849 32.905 30.713 1.00 0.00 H new ATOM 0 HB VAL A 14 41.295 35.839 30.640 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.463 35.514 28.261 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.868 34.479 28.605 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.230 33.784 28.605 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.879 36.097 29.948 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.615 34.373 30.303 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.020 35.500 31.619 1.00 0.00 H new ATOM 208 N ASN A 15 43.257 34.629 32.136 1.00 0.00 N ATOM 209 CA ASN A 15 44.653 34.605 32.448 1.00 0.00 C ATOM 210 C ASN A 15 45.148 33.313 33.002 1.00 0.00 C ATOM 211 O ASN A 15 46.178 32.810 32.555 1.00 0.00 O ATOM 212 CB ASN A 15 44.994 35.757 33.408 1.00 0.00 C ATOM 213 CG ASN A 15 46.483 36.060 33.499 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.288 35.669 32.656 1.00 0.00 O ATOM 215 ND2 ASN A 15 46.887 36.796 34.570 1.00 0.00 N ATOM 0 H ASN A 15 42.738 35.311 32.689 1.00 0.00 H new ATOM 0 HA ASN A 15 45.169 34.729 31.496 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.469 36.655 33.084 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.621 35.511 34.402 1.00 0.00 H new ATOM 0 HD21 ASN A 15 47.873 37.032 34.684 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.204 37.111 35.259 1.00 0.00 H new ATOM 222 N LYS A 16 44.479 32.682 33.984 1.00 0.00 N ATOM 223 CA LYS A 16 44.829 31.399 34.509 1.00 0.00 C ATOM 224 C LYS A 16 44.907 30.327 33.478 1.00 0.00 C ATOM 225 O LYS A 16 45.844 29.532 33.447 1.00 0.00 O ATOM 226 CB LYS A 16 43.850 30.946 35.605 1.00 0.00 C ATOM 227 CG LYS A 16 44.334 31.218 37.030 1.00 0.00 C ATOM 228 CD LYS A 16 44.991 30.014 37.710 1.00 0.00 C ATOM 229 CE LYS A 16 46.234 29.473 37.001 1.00 0.00 C ATOM 230 NZ LYS A 16 46.931 28.460 37.827 1.00 0.00 N ATOM 0 H LYS A 16 43.656 33.085 34.432 1.00 0.00 H new ATOM 0 HA LYS A 16 45.826 31.540 34.926 1.00 0.00 H new ATOM 0 HB2 LYS A 16 42.896 31.451 35.455 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.667 29.877 35.493 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.047 32.043 37.009 1.00 0.00 H new ATOM 0 HG3 LYS A 16 43.487 31.544 37.633 1.00 0.00 H new ATOM 0 HD2 LYS A 16 45.264 30.294 38.727 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.256 29.212 37.786 1.00 0.00 H new ATOM 0 HE2 LYS A 16 45.947 29.031 36.047 1.00 0.00 H new ATOM 0 HE3 LYS A 16 46.915 30.295 36.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 47.769 28.114 37.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 47.226 28.889 38.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 46.288 27.665 38.017 1.00 0.00 H new ATOM 244 N ILE A 17 43.930 30.311 32.552 1.00 0.00 N ATOM 245 CA ILE A 17 43.870 29.462 31.403 1.00 0.00 C ATOM 246 C ILE A 17 45.038 29.684 30.506 1.00 0.00 C ATOM 247 O ILE A 17 45.737 28.739 30.146 1.00 0.00 O ATOM 248 CB ILE A 17 42.559 29.704 30.714 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.392 29.161 31.558 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.537 29.121 29.291 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.020 29.589 31.040 1.00 0.00 C ATOM 0 H ILE A 17 43.126 30.936 32.612 1.00 0.00 H new ATOM 0 HA ILE A 17 43.925 28.415 31.702 1.00 0.00 H new ATOM 0 HB ILE A 17 42.437 30.783 30.615 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.442 28.072 31.576 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.507 29.503 32.587 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.569 29.320 28.831 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.324 29.585 28.696 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.703 28.045 29.336 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.243 29.172 31.681 1.00 0.00 H new ATOM 0 HD12 ILE A 17 39.951 30.677 31.048 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.885 29.224 30.022 1.00 0.00 H new ATOM 263 N LYS A 18 45.346 30.943 30.145 1.00 0.00 N ATOM 264 CA LYS A 18 46.456 31.268 29.305 1.00 0.00 C ATOM 265 C LYS A 18 47.775 30.879 29.881 1.00 0.00 C ATOM 266 O LYS A 18 48.637 30.363 29.173 1.00 0.00 O ATOM 267 CB LYS A 18 46.444 32.733 28.838 1.00 0.00 C ATOM 268 CG LYS A 18 47.374 33.743 29.513 1.00 0.00 C ATOM 269 CD LYS A 18 47.435 35.061 28.739 1.00 0.00 C ATOM 270 CE LYS A 18 47.390 36.300 29.637 1.00 0.00 C ATOM 271 NZ LYS A 18 47.552 37.529 28.829 1.00 0.00 N ATOM 0 H LYS A 18 44.809 31.756 30.445 1.00 0.00 H new ATOM 0 HA LYS A 18 46.323 30.652 28.416 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.673 32.739 27.772 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.425 33.103 28.947 1.00 0.00 H new ATOM 0 HG2 LYS A 18 47.028 33.933 30.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 48.376 33.320 29.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 48.350 35.084 28.148 1.00 0.00 H new ATOM 0 HD3 LYS A 18 46.602 35.100 28.038 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.442 36.333 30.175 1.00 0.00 H new ATOM 0 HE3 LYS A 18 48.180 36.243 30.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 47.519 38.361 29.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.467 37.502 28.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 46.784 37.589 28.131 1.00 0.00 H new ATOM 285 N THR A 19 47.958 31.077 31.199 1.00 0.00 N ATOM 286 CA THR A 19 49.152 30.808 31.938 1.00 0.00 C ATOM 287 C THR A 19 49.433 29.350 32.070 1.00 0.00 C ATOM 288 O THR A 19 50.588 28.926 32.092 1.00 0.00 O ATOM 289 CB THR A 19 49.115 31.451 33.292 1.00 0.00 C ATOM 290 OG1 THR A 19 48.796 32.832 33.204 1.00 0.00 O ATOM 291 CG2 THR A 19 50.506 31.425 33.948 1.00 0.00 C ATOM 0 H THR A 19 47.216 31.453 31.790 1.00 0.00 H new ATOM 0 HA THR A 19 49.967 31.246 31.362 1.00 0.00 H new ATOM 0 HB THR A 19 48.371 30.894 33.861 1.00 0.00 H new ATOM 0 HG1 THR A 19 47.843 32.935 32.999 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.454 31.897 34.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.837 30.392 34.059 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.214 31.967 33.321 1.00 0.00 H new ATOM 299 N ARG A 20 48.416 28.474 32.143 1.00 0.00 N ATOM 300 CA ARG A 20 48.614 27.061 32.041 1.00 0.00 C ATOM 301 C ARG A 20 48.940 26.623 30.655 1.00 0.00 C ATOM 302 O ARG A 20 49.969 25.995 30.411 1.00 0.00 O ATOM 303 CB ARG A 20 47.362 26.326 32.551 1.00 0.00 C ATOM 304 CG ARG A 20 47.655 25.035 33.318 1.00 0.00 C ATOM 305 CD ARG A 20 48.266 23.863 32.548 1.00 0.00 C ATOM 306 NE ARG A 20 48.261 22.710 33.492 1.00 0.00 N ATOM 307 CZ ARG A 20 48.884 21.517 33.271 1.00 0.00 C ATOM 308 NH1 ARG A 20 49.616 21.232 32.154 1.00 0.00 N ATOM 309 NH2 ARG A 20 48.821 20.521 34.203 1.00 0.00 N ATOM 0 H ARG A 20 47.443 28.749 32.275 1.00 0.00 H new ATOM 0 HA ARG A 20 49.474 26.807 32.660 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.799 26.999 33.198 1.00 0.00 H new ATOM 0 HB3 ARG A 20 46.722 26.092 31.701 1.00 0.00 H new ATOM 0 HG2 ARG A 20 48.327 25.281 34.140 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.721 24.691 33.762 1.00 0.00 H new ATOM 0 HD2 ARG A 20 47.686 23.638 31.653 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.279 24.096 32.221 1.00 0.00 H new ATOM 0 HE ARG A 20 47.753 22.821 34.370 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.722 21.934 31.421 1.00 0.00 H new ATOM 0 HH12 ARG A 20 50.056 20.318 32.052 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.306 20.667 35.071 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.289 19.631 34.031 1.00 0.00 H new ATOM 323 N PHE A 21 48.084 26.973 29.678 1.00 0.00 N ATOM 324 CA PHE A 21 48.214 26.529 28.324 1.00 0.00 C ATOM 325 C PHE A 21 49.187 27.333 27.533 1.00 0.00 C ATOM 326 O PHE A 21 48.973 27.641 26.362 1.00 0.00 O ATOM 327 CB PHE A 21 46.853 26.536 27.605 1.00 0.00 C ATOM 328 CG PHE A 21 45.867 25.639 28.270 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.098 24.292 28.428 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.672 26.164 28.701 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.151 23.486 29.013 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.731 25.374 29.319 1.00 0.00 C ATOM 333 CZ PHE A 21 43.972 24.029 29.467 1.00 0.00 C ATOM 0 H PHE A 21 47.280 27.581 29.833 1.00 0.00 H new ATOM 0 HA PHE A 21 48.598 25.511 28.386 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.460 27.553 27.582 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.988 26.223 26.570 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.030 23.865 28.090 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.469 27.214 28.552 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.333 22.426 29.116 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.811 25.806 29.685 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.235 23.398 29.940 1.00 0.00 H new ATOM 343 N LEU A 22 50.365 27.647 28.101 1.00 0.00 N ATOM 344 CA LEU A 22 51.482 28.201 27.402 1.00 0.00 C ATOM 345 C LEU A 22 52.152 27.147 26.590 1.00 0.00 C ATOM 346 O LEU A 22 52.661 27.381 25.495 1.00 0.00 O ATOM 347 CB LEU A 22 52.508 28.851 28.348 1.00 0.00 C ATOM 348 CG LEU A 22 51.915 30.063 29.085 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.916 30.506 30.165 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.553 31.247 28.173 1.00 0.00 C ATOM 0 H LEU A 22 50.547 27.508 29.095 1.00 0.00 H new ATOM 0 HA LEU A 22 51.092 28.984 26.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.850 28.115 29.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.382 29.164 27.777 1.00 0.00 H new ATOM 0 HG LEU A 22 50.969 29.744 29.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.515 31.366 30.701 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.082 29.687 30.865 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.861 30.779 29.695 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.142 32.057 28.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.448 31.596 27.657 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.812 30.928 27.440 1.00 0.00 H new ATOM 362 N ASP A 23 52.101 25.902 27.097 1.00 0.00 N ATOM 363 CA ASP A 23 52.502 24.736 26.371 1.00 0.00 C ATOM 364 C ASP A 23 51.567 24.400 25.261 1.00 0.00 C ATOM 365 O ASP A 23 51.928 23.736 24.291 1.00 0.00 O ATOM 366 CB ASP A 23 52.551 23.537 27.332 1.00 0.00 C ATOM 367 CG ASP A 23 53.586 23.785 28.422 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.801 23.857 28.098 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.194 23.923 29.611 1.00 0.00 O ATOM 0 H ASP A 23 51.771 25.700 28.041 1.00 0.00 H new ATOM 0 HA ASP A 23 53.480 24.949 25.939 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.570 23.379 27.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.800 22.630 26.782 1.00 0.00 H new ATOM 374 N HIS A 24 50.300 24.842 25.347 1.00 0.00 N ATOM 375 CA HIS A 24 49.289 24.515 24.390 1.00 0.00 C ATOM 376 C HIS A 24 48.601 25.753 23.929 1.00 0.00 C ATOM 377 O HIS A 24 47.404 25.874 24.187 1.00 0.00 O ATOM 378 CB HIS A 24 48.276 23.518 24.978 1.00 0.00 C ATOM 379 CG HIS A 24 48.803 22.186 25.426 1.00 0.00 C ATOM 380 ND1 HIS A 24 50.001 21.566 25.257 1.00 0.00 N flip ATOM 381 CD2 HIS A 24 48.005 21.304 26.103 1.00 0.00 C flip ATOM 382 CE1 HIS A 24 49.901 20.338 25.857 1.00 0.00 C flip ATOM 383 NE2 HIS A 24 48.687 20.203 26.359 1.00 0.00 N flip ATOM 0 H HIS A 24 49.969 25.443 26.102 1.00 0.00 H new ATOM 0 HA HIS A 24 49.766 24.040 23.533 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.791 23.993 25.831 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.503 23.341 24.230 1.00 0.00 H new ATOM 0 HD1 HIS A 24 50.818 21.943 24.776 1.00 0.00 H new ATOM 0 HD2 HIS A 24 46.977 21.481 26.384 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.688 19.600 25.911 1.00 0.00 H new ATOM 392 N PRO A 25 49.172 26.709 23.259 1.00 0.00 N ATOM 393 CA PRO A 25 48.564 27.993 23.062 1.00 0.00 C ATOM 394 C PRO A 25 47.475 27.981 22.044 1.00 0.00 C ATOM 395 O PRO A 25 46.853 29.015 21.803 1.00 0.00 O ATOM 396 CB PRO A 25 49.718 28.889 22.617 1.00 0.00 C ATOM 397 CG PRO A 25 50.670 27.928 21.884 1.00 0.00 C ATOM 398 CD PRO A 25 50.529 26.659 22.739 1.00 0.00 C ATOM 0 HA PRO A 25 48.075 28.338 23.973 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.373 29.688 21.961 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.206 29.364 23.468 1.00 0.00 H new ATOM 0 HG2 PRO A 25 50.371 27.762 20.849 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.695 28.299 21.864 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.691 25.761 22.143 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.261 26.643 23.546 1.00 0.00 H new ATOM 406 N GLU A 26 47.173 26.814 21.447 1.00 0.00 N ATOM 407 CA GLU A 26 46.070 26.600 20.563 1.00 0.00 C ATOM 408 C GLU A 26 44.771 26.478 21.282 1.00 0.00 C ATOM 409 O GLU A 26 43.717 26.766 20.718 1.00 0.00 O ATOM 410 CB GLU A 26 46.340 25.394 19.647 1.00 0.00 C ATOM 411 CG GLU A 26 46.392 24.035 20.348 1.00 0.00 C ATOM 412 CD GLU A 26 47.044 22.986 19.459 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.654 22.856 18.267 1.00 0.00 O ATOM 414 OE2 GLU A 26 48.001 22.314 19.927 1.00 0.00 O ATOM 0 H GLU A 26 47.731 25.972 21.590 1.00 0.00 H new ATOM 0 HA GLU A 26 45.977 27.487 19.937 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.564 25.360 18.882 1.00 0.00 H new ATOM 0 HB3 GLU A 26 47.288 25.555 19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.950 24.124 21.280 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.382 23.718 20.610 1.00 0.00 H new ATOM 421 N ILE A 27 44.780 26.134 22.583 1.00 0.00 N ATOM 422 CA ILE A 27 43.619 26.015 23.409 1.00 0.00 C ATOM 423 C ILE A 27 42.945 27.339 23.526 1.00 0.00 C ATOM 424 O ILE A 27 41.721 27.441 23.468 1.00 0.00 O ATOM 425 CB ILE A 27 43.880 25.500 24.794 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.787 24.267 24.935 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.540 25.066 25.410 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.859 23.337 23.724 1.00 0.00 C ATOM 0 H ILE A 27 45.644 25.928 23.084 1.00 0.00 H new ATOM 0 HA ILE A 27 42.992 25.276 22.911 1.00 0.00 H new ATOM 0 HB ILE A 27 44.391 26.332 25.277 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.796 24.609 25.164 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.445 23.687 25.792 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.709 24.688 26.418 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.865 25.921 25.451 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.095 24.281 24.798 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.529 22.505 23.943 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.864 22.953 23.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.236 23.889 22.863 1.00 0.00 H new ATOM 440 N TYR A 28 43.766 28.402 23.601 1.00 0.00 N ATOM 441 CA TYR A 28 43.394 29.782 23.637 1.00 0.00 C ATOM 442 C TYR A 28 42.532 30.212 22.501 1.00 0.00 C ATOM 443 O TYR A 28 41.701 31.106 22.658 1.00 0.00 O ATOM 444 CB TYR A 28 44.657 30.657 23.702 1.00 0.00 C ATOM 445 CG TYR A 28 44.362 31.995 24.290 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.174 32.092 25.649 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.223 33.119 23.513 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.833 33.296 26.221 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.884 34.326 24.080 1.00 0.00 C ATOM 450 CZ TYR A 28 43.687 34.416 25.437 1.00 0.00 C ATOM 451 OH TYR A 28 43.328 35.650 26.020 1.00 0.00 O ATOM 0 H TYR A 28 44.778 28.283 23.640 1.00 0.00 H new ATOM 0 HA TYR A 28 42.789 29.911 24.534 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.419 30.155 24.299 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.068 30.781 22.700 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.295 31.218 26.271 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.381 33.055 22.447 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.680 33.361 27.288 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.773 35.202 23.459 1.00 0.00 H new ATOM 0 HH TYR A 28 43.269 36.336 25.323 1.00 0.00 H new ATOM 461 N ARG A 29 42.633 29.583 21.317 1.00 0.00 N ATOM 462 CA ARG A 29 41.694 29.817 20.263 1.00 0.00 C ATOM 463 C ARG A 29 40.437 29.051 20.493 1.00 0.00 C ATOM 464 O ARG A 29 39.344 29.611 20.556 1.00 0.00 O ATOM 465 CB ARG A 29 42.214 29.415 18.873 1.00 0.00 C ATOM 466 CG ARG A 29 43.344 30.252 18.271 1.00 0.00 C ATOM 467 CD ARG A 29 44.745 29.884 18.763 1.00 0.00 C ATOM 468 NE ARG A 29 45.713 30.203 17.675 1.00 0.00 N ATOM 469 CZ ARG A 29 46.186 31.456 17.412 1.00 0.00 C ATOM 470 NH1 ARG A 29 46.205 32.437 18.360 1.00 0.00 N ATOM 471 NH2 ARG A 29 46.684 31.761 16.179 1.00 0.00 N ATOM 0 H ARG A 29 43.366 28.911 21.089 1.00 0.00 H new ATOM 0 HA ARG A 29 41.521 30.893 20.278 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.554 28.381 18.928 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.373 29.438 18.180 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.316 30.149 17.186 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.159 31.302 18.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.990 30.441 19.667 1.00 0.00 H new ATOM 0 HD3 ARG A 29 44.794 28.825 19.018 1.00 0.00 H new ATOM 0 HE ARG A 29 46.043 29.436 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 45.859 32.245 19.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 46.566 33.363 18.129 1.00 0.00 H new ATOM 0 HH21 ARG A 29 46.704 31.051 15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 29 47.036 32.699 15.989 1.00 0.00 H new ATOM 485 N SER A 30 40.550 27.716 20.606 1.00 0.00 N ATOM 486 CA SER A 30 39.479 26.784 20.430 1.00 0.00 C ATOM 487 C SER A 30 38.472 26.798 21.527 1.00 0.00 C ATOM 488 O SER A 30 37.281 26.608 21.283 1.00 0.00 O ATOM 489 CB SER A 30 40.060 25.387 20.156 1.00 0.00 C ATOM 490 OG SER A 30 39.089 24.396 19.858 1.00 0.00 O ATOM 0 H SER A 30 41.435 27.263 20.832 1.00 0.00 H new ATOM 0 HA SER A 30 38.904 27.100 19.560 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.760 25.455 19.323 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.632 25.067 21.027 1.00 0.00 H new ATOM 0 HG SER A 30 39.536 23.539 19.695 1.00 0.00 H new ATOM 496 N PHE A 31 38.866 27.091 22.779 1.00 0.00 N ATOM 497 CA PHE A 31 37.920 27.206 23.845 1.00 0.00 C ATOM 498 C PHE A 31 36.986 28.360 23.719 1.00 0.00 C ATOM 499 O PHE A 31 35.797 28.254 24.022 1.00 0.00 O ATOM 500 CB PHE A 31 38.561 27.029 25.231 1.00 0.00 C ATOM 501 CG PHE A 31 38.773 28.267 26.034 1.00 0.00 C ATOM 502 CD1 PHE A 31 39.869 29.069 25.818 1.00 0.00 C ATOM 503 CD2 PHE A 31 37.859 28.627 26.995 1.00 0.00 C ATOM 504 CE1 PHE A 31 40.062 30.207 26.567 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.047 29.761 27.750 1.00 0.00 C ATOM 506 CZ PHE A 31 39.157 30.547 27.543 1.00 0.00 C ATOM 0 H PHE A 31 39.836 27.248 23.053 1.00 0.00 H new ATOM 0 HA PHE A 31 37.253 26.351 23.739 1.00 0.00 H new ATOM 0 HB2 PHE A 31 37.936 26.350 25.811 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.526 26.539 25.100 1.00 0.00 H new ATOM 0 HD1 PHE A 31 40.584 28.803 25.054 1.00 0.00 H new ATOM 0 HD2 PHE A 31 36.985 28.014 27.159 1.00 0.00 H new ATOM 0 HE1 PHE A 31 40.924 30.832 26.388 1.00 0.00 H new ATOM 0 HE2 PHE A 31 37.324 30.034 28.504 1.00 0.00 H new ATOM 0 HZ PHE A 31 39.316 31.429 28.146 1.00 0.00 H new ATOM 516 N LEU A 32 37.454 29.514 23.212 1.00 0.00 N ATOM 517 CA LEU A 32 36.644 30.675 23.007 1.00 0.00 C ATOM 518 C LEU A 32 35.678 30.498 21.887 1.00 0.00 C ATOM 519 O LEU A 32 34.542 30.967 21.934 1.00 0.00 O ATOM 520 CB LEU A 32 37.430 31.918 22.558 1.00 0.00 C ATOM 521 CG LEU A 32 38.757 32.170 23.292 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.563 33.137 22.408 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.556 32.692 24.725 1.00 0.00 C ATOM 0 H LEU A 32 38.427 29.644 22.936 1.00 0.00 H new ATOM 0 HA LEU A 32 36.179 30.807 23.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.637 31.828 21.492 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.793 32.793 22.686 1.00 0.00 H new ATOM 0 HG LEU A 32 39.302 31.237 23.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.520 33.352 22.883 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.736 32.681 21.433 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.005 34.064 22.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.527 32.852 25.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.008 33.634 24.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 37.990 31.961 25.303 1.00 0.00 H new ATOM 535 N GLU A 33 36.134 29.825 20.815 1.00 0.00 N ATOM 536 CA GLU A 33 35.312 29.385 19.730 1.00 0.00 C ATOM 537 C GLU A 33 34.089 28.644 20.145 1.00 0.00 C ATOM 538 O GLU A 33 33.006 28.886 19.613 1.00 0.00 O ATOM 539 CB GLU A 33 36.079 28.577 18.669 1.00 0.00 C ATOM 540 CG GLU A 33 37.123 29.407 17.920 1.00 0.00 C ATOM 541 CD GLU A 33 37.755 28.657 16.756 1.00 0.00 C ATOM 542 OE1 GLU A 33 38.305 27.541 16.958 1.00 0.00 O ATOM 543 OE2 GLU A 33 37.752 29.211 15.624 1.00 0.00 O ATOM 0 H GLU A 33 37.117 29.577 20.700 1.00 0.00 H new ATOM 0 HA GLU A 33 34.983 30.320 19.276 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.572 27.733 19.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.369 28.165 17.952 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.655 30.318 17.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.905 29.712 18.616 1.00 0.00 H new ATOM 550 N ILE A 34 34.161 27.769 21.163 1.00 0.00 N ATOM 551 CA ILE A 34 33.035 27.143 21.783 1.00 0.00 C ATOM 552 C ILE A 34 32.167 28.118 22.500 1.00 0.00 C ATOM 553 O ILE A 34 30.949 28.111 22.329 1.00 0.00 O ATOM 554 CB ILE A 34 33.518 26.016 22.648 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.122 24.896 21.784 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.405 25.457 23.550 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.115 24.024 22.552 1.00 0.00 C ATOM 0 H ILE A 34 35.050 27.484 21.574 1.00 0.00 H new ATOM 0 HA ILE A 34 32.387 26.723 21.014 1.00 0.00 H new ATOM 0 HB ILE A 34 34.291 26.419 23.301 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.319 24.269 21.397 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.624 25.338 20.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.803 24.644 24.157 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.033 26.248 24.202 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.589 25.083 22.932 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.508 23.252 21.891 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.936 24.642 22.916 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.610 23.556 23.397 1.00 0.00 H new ATOM 569 N LEU A 35 32.704 29.080 23.272 1.00 0.00 N ATOM 570 CA LEU A 35 31.905 30.098 23.881 1.00 0.00 C ATOM 571 C LEU A 35 31.258 31.043 22.928 1.00 0.00 C ATOM 572 O LEU A 35 30.273 31.707 23.243 1.00 0.00 O ATOM 573 CB LEU A 35 32.745 30.946 24.850 1.00 0.00 C ATOM 574 CG LEU A 35 33.678 30.198 25.817 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.820 31.072 27.074 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.233 28.844 26.395 1.00 0.00 C ATOM 0 H LEU A 35 33.701 29.153 23.476 1.00 0.00 H new ATOM 0 HA LEU A 35 31.118 29.542 24.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.352 31.632 24.259 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.063 31.555 25.443 1.00 0.00 H new ATOM 0 HG LEU A 35 34.556 30.007 25.200 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.477 30.577 27.789 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.245 32.038 26.800 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.839 31.222 27.525 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.009 28.458 27.056 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.309 28.975 26.958 1.00 0.00 H new ATOM 0 HD23 LEU A 35 33.065 28.138 25.581 1.00 0.00 H new ATOM 588 N HIS A 36 31.746 31.147 21.680 1.00 0.00 N ATOM 589 CA HIS A 36 31.112 31.909 20.649 1.00 0.00 C ATOM 590 C HIS A 36 29.797 31.355 20.221 1.00 0.00 C ATOM 591 O HIS A 36 28.887 32.128 19.926 1.00 0.00 O ATOM 592 CB HIS A 36 31.962 32.117 19.384 1.00 0.00 C ATOM 593 CG HIS A 36 33.085 33.100 19.532 1.00 0.00 C ATOM 594 ND1 HIS A 36 33.886 33.444 20.576 1.00 0.00 N flip ATOM 595 CD2 HIS A 36 33.520 33.826 18.455 1.00 0.00 C flip ATOM 596 CE1 HIS A 36 34.774 34.372 20.098 1.00 0.00 C flip ATOM 597 NE2 HIS A 36 34.528 34.595 18.820 1.00 0.00 N flip ATOM 0 H HIS A 36 32.606 30.688 21.379 1.00 0.00 H new ATOM 0 HA HIS A 36 30.970 32.874 21.136 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.377 31.156 19.081 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.310 32.451 18.577 1.00 0.00 H new ATOM 0 HD1 HIS A 36 33.836 33.082 21.528 1.00 0.00 H new ATOM 0 HD2 HIS A 36 33.102 33.777 17.460 1.00 0.00 H new ATOM 0 HE1 HIS A 36 35.553 34.847 20.676 1.00 0.00 H new ATOM 606 N THR A 37 29.604 30.023 20.237 1.00 0.00 N ATOM 607 CA THR A 37 28.366 29.348 19.996 1.00 0.00 C ATOM 608 C THR A 37 27.315 29.757 20.969 1.00 0.00 C ATOM 609 O THR A 37 26.129 29.834 20.653 1.00 0.00 O ATOM 610 CB THR A 37 28.588 27.865 20.022 1.00 0.00 C ATOM 611 OG1 THR A 37 29.328 27.487 18.870 1.00 0.00 O ATOM 612 CG2 THR A 37 27.320 26.994 20.034 1.00 0.00 C ATOM 0 H THR A 37 30.367 29.374 20.432 1.00 0.00 H new ATOM 0 HA THR A 37 28.004 29.633 19.008 1.00 0.00 H new ATOM 0 HB THR A 37 29.106 27.685 20.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.478 26.519 18.881 1.00 0.00 H new ATOM 0 HG21 THR A 37 27.602 25.941 20.053 1.00 0.00 H new ATOM 0 HG22 THR A 37 26.727 27.227 20.919 1.00 0.00 H new ATOM 0 HG23 THR A 37 26.731 27.196 19.139 1.00 0.00 H new ATOM 620 N TYR A 38 27.735 30.103 22.198 1.00 0.00 N ATOM 621 CA TYR A 38 26.905 30.660 23.221 1.00 0.00 C ATOM 622 C TYR A 38 26.561 32.093 23.001 1.00 0.00 C ATOM 623 O TYR A 38 25.399 32.462 22.837 1.00 0.00 O ATOM 624 CB TYR A 38 27.683 30.490 24.537 1.00 0.00 C ATOM 625 CG TYR A 38 26.878 30.702 25.773 1.00 0.00 C ATOM 626 CD1 TYR A 38 26.250 29.658 26.409 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.869 31.957 26.335 1.00 0.00 C ATOM 628 CE1 TYR A 38 25.592 29.882 27.596 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.263 32.170 27.551 1.00 0.00 C ATOM 630 CZ TYR A 38 25.608 31.132 28.171 1.00 0.00 C ATOM 631 OH TYR A 38 24.948 31.369 29.395 1.00 0.00 O ATOM 0 H TYR A 38 28.704 29.988 22.494 1.00 0.00 H new ATOM 0 HA TYR A 38 25.946 30.142 23.229 1.00 0.00 H new ATOM 0 HB2 TYR A 38 28.107 29.486 24.565 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.519 31.189 24.541 1.00 0.00 H new ATOM 0 HD1 TYR A 38 26.273 28.667 25.979 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.340 32.780 25.819 1.00 0.00 H new ATOM 0 HE1 TYR A 38 25.061 29.074 28.078 1.00 0.00 H new ATOM 0 HE2 TYR A 38 26.301 33.144 28.015 1.00 0.00 H new ATOM 0 HH TYR A 38 25.064 32.307 29.653 1.00 0.00 H new ATOM 641 N GLN A 39 27.584 32.966 22.954 1.00 0.00 N ATOM 642 CA GLN A 39 27.458 34.391 22.974 1.00 0.00 C ATOM 643 C GLN A 39 26.870 35.013 21.754 1.00 0.00 C ATOM 644 O GLN A 39 26.473 36.177 21.774 1.00 0.00 O ATOM 645 CB GLN A 39 28.794 35.044 23.366 1.00 0.00 C ATOM 646 CG GLN A 39 29.905 34.917 22.321 1.00 0.00 C ATOM 647 CD GLN A 39 30.542 36.185 21.772 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.033 37.397 22.121 1.00 0.00 O flip ATOM 649 NE2 GLN A 39 31.503 36.090 21.010 1.00 0.00 N flip ATOM 0 H GLN A 39 28.555 32.659 22.899 1.00 0.00 H new ATOM 0 HA GLN A 39 26.711 34.596 23.741 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.620 36.102 23.564 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.140 34.598 24.299 1.00 0.00 H new ATOM 0 HG2 GLN A 39 30.699 34.310 22.756 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.502 34.358 21.477 1.00 0.00 H new ATOM 0 HE21 GLN A 39 31.868 35.171 20.762 1.00 0.00 H new ATOM 0 HE22 GLN A 39 31.935 36.931 20.626 1.00 0.00 H new ATOM 898 N SER A 54 22.461 25.233 25.795 1.00 0.00 N ATOM 899 CA SER A 54 22.450 25.171 27.224 1.00 0.00 C ATOM 900 C SER A 54 23.847 25.212 27.743 1.00 0.00 C ATOM 901 O SER A 54 24.790 24.712 27.132 1.00 0.00 O ATOM 902 CB SER A 54 21.784 23.890 27.751 1.00 0.00 C ATOM 903 OG SER A 54 20.426 23.806 27.343 1.00 0.00 O ATOM 0 HA SER A 54 21.874 26.029 27.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.329 23.019 27.388 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.840 23.870 28.839 1.00 0.00 H new ATOM 0 HG SER A 54 20.326 24.205 26.453 1.00 0.00 H new ATOM 909 N GLU A 55 24.019 25.795 28.943 1.00 0.00 N ATOM 910 CA GLU A 55 25.248 26.042 29.633 1.00 0.00 C ATOM 911 C GLU A 55 26.115 24.838 29.769 1.00 0.00 C ATOM 912 O GLU A 55 27.333 24.886 29.608 1.00 0.00 O ATOM 913 CB GLU A 55 24.943 26.587 31.039 1.00 0.00 C ATOM 914 CG GLU A 55 23.906 27.708 31.131 1.00 0.00 C ATOM 915 CD GLU A 55 22.480 27.216 31.322 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.907 26.622 30.370 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.894 27.419 32.420 1.00 0.00 O ATOM 0 H GLU A 55 23.218 26.125 29.481 1.00 0.00 H new ATOM 0 HA GLU A 55 25.797 26.765 29.029 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.603 25.757 31.659 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.875 26.949 31.473 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.168 28.364 31.961 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.954 28.309 30.223 1.00 0.00 H new ATOM 924 N GLU A 56 25.477 23.676 30.002 1.00 0.00 N ATOM 925 CA GLU A 56 26.076 22.379 30.033 1.00 0.00 C ATOM 926 C GLU A 56 26.869 21.980 28.836 1.00 0.00 C ATOM 927 O GLU A 56 27.799 21.192 29.003 1.00 0.00 O ATOM 928 CB GLU A 56 24.999 21.315 30.306 1.00 0.00 C ATOM 929 CG GLU A 56 23.740 21.480 29.453 1.00 0.00 C ATOM 930 CD GLU A 56 22.999 20.173 29.210 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.525 19.515 30.175 1.00 0.00 O ATOM 932 OE2 GLU A 56 22.889 19.784 28.016 1.00 0.00 O ATOM 0 H GLU A 56 24.473 23.643 30.181 1.00 0.00 H new ATOM 0 HA GLU A 56 26.807 22.443 30.839 1.00 0.00 H new ATOM 0 HB2 GLU A 56 25.423 20.327 30.125 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.721 21.354 31.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.068 22.184 29.943 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.015 21.917 28.493 1.00 0.00 H new ATOM 939 N GLU A 57 26.589 22.445 27.605 1.00 0.00 N ATOM 940 CA GLU A 57 27.296 21.984 26.451 1.00 0.00 C ATOM 941 C GLU A 57 28.564 22.749 26.281 1.00 0.00 C ATOM 942 O GLU A 57 29.617 22.218 25.932 1.00 0.00 O ATOM 943 CB GLU A 57 26.497 21.918 25.139 1.00 0.00 C ATOM 944 CG GLU A 57 26.809 22.985 24.087 1.00 0.00 C ATOM 945 CD GLU A 57 26.201 22.632 22.737 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.967 22.395 22.647 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.974 22.584 21.743 1.00 0.00 O ATOM 0 H GLU A 57 25.871 23.142 27.409 1.00 0.00 H new ATOM 0 HA GLU A 57 27.512 20.937 26.663 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.662 20.939 24.689 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.437 21.982 25.383 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.424 23.949 24.420 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.889 23.091 23.984 1.00 0.00 H new ATOM 954 N VAL A 58 28.499 24.068 26.530 1.00 0.00 N ATOM 955 CA VAL A 58 29.602 24.952 26.313 1.00 0.00 C ATOM 956 C VAL A 58 30.692 24.675 27.291 1.00 0.00 C ATOM 957 O VAL A 58 31.878 24.599 26.976 1.00 0.00 O ATOM 958 CB VAL A 58 29.049 26.346 26.255 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.056 27.092 27.599 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.887 27.198 25.286 1.00 0.00 C ATOM 0 H VAL A 58 27.664 24.531 26.889 1.00 0.00 H new ATOM 0 HA VAL A 58 30.108 24.797 25.360 1.00 0.00 H new ATOM 0 HB VAL A 58 28.014 26.222 25.936 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.639 28.090 27.463 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.454 26.543 28.323 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.080 27.173 27.965 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.482 28.209 25.247 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.920 27.234 25.633 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.854 26.755 24.290 1.00 0.00 H new ATOM 970 N PHE A 59 30.243 24.350 28.516 1.00 0.00 N ATOM 971 CA PHE A 59 30.960 23.706 29.574 1.00 0.00 C ATOM 972 C PHE A 59 31.548 22.391 29.195 1.00 0.00 C ATOM 973 O PHE A 59 32.735 22.158 29.420 1.00 0.00 O ATOM 974 CB PHE A 59 29.972 23.562 30.743 1.00 0.00 C ATOM 975 CG PHE A 59 30.522 22.975 31.998 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.341 23.721 32.811 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.150 21.712 32.396 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.777 23.218 34.014 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.587 21.199 33.594 1.00 0.00 C ATOM 980 CZ PHE A 59 31.404 21.953 34.403 1.00 0.00 C ATOM 0 H PHE A 59 29.283 24.560 28.791 1.00 0.00 H new ATOM 0 HA PHE A 59 31.824 24.313 29.843 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.568 24.548 30.974 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.137 22.944 30.412 1.00 0.00 H new ATOM 0 HD1 PHE A 59 31.645 24.710 32.502 1.00 0.00 H new ATOM 0 HD2 PHE A 59 29.509 21.118 31.762 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.411 23.815 34.652 1.00 0.00 H new ATOM 0 HE2 PHE A 59 30.289 20.207 33.899 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.753 21.552 35.343 1.00 0.00 H new ATOM 990 N THR A 60 30.772 21.474 28.589 1.00 0.00 N ATOM 991 CA THR A 60 31.216 20.200 28.117 1.00 0.00 C ATOM 992 C THR A 60 32.349 20.279 27.152 1.00 0.00 C ATOM 993 O THR A 60 33.345 19.568 27.279 1.00 0.00 O ATOM 994 CB THR A 60 30.140 19.282 27.621 1.00 0.00 C ATOM 995 OG1 THR A 60 30.210 18.007 28.243 1.00 0.00 O ATOM 996 CG2 THR A 60 30.120 19.007 26.108 1.00 0.00 C ATOM 0 H THR A 60 29.779 21.632 28.419 1.00 0.00 H new ATOM 0 HA THR A 60 31.593 19.734 29.027 1.00 0.00 H new ATOM 0 HB THR A 60 29.238 19.837 27.878 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.493 17.435 27.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.299 18.331 25.872 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.984 19.945 25.569 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.063 18.550 25.809 1.00 0.00 H new ATOM 1004 N GLU A 61 32.269 21.163 26.142 1.00 0.00 N ATOM 1005 CA GLU A 61 33.283 21.215 25.135 1.00 0.00 C ATOM 1006 C GLU A 61 34.538 21.847 25.628 1.00 0.00 C ATOM 1007 O GLU A 61 35.611 21.310 25.359 1.00 0.00 O ATOM 1008 CB GLU A 61 32.762 21.651 23.755 1.00 0.00 C ATOM 1009 CG GLU A 61 31.675 20.708 23.236 1.00 0.00 C ATOM 1010 CD GLU A 61 31.526 20.714 21.721 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.402 20.141 21.018 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.506 21.240 21.203 1.00 0.00 O ATOM 0 H GLU A 61 31.511 21.835 26.022 1.00 0.00 H new ATOM 0 HA GLU A 61 33.595 20.192 24.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.364 22.664 23.820 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.589 21.678 23.046 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.900 19.694 23.565 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.722 20.985 23.686 1.00 0.00 H new ATOM 1019 N VAL A 62 34.494 22.900 26.464 1.00 0.00 N ATOM 1020 CA VAL A 62 35.622 23.462 27.142 1.00 0.00 C ATOM 1021 C VAL A 62 36.384 22.497 27.984 1.00 0.00 C ATOM 1022 O VAL A 62 37.610 22.508 28.072 1.00 0.00 O ATOM 1023 CB VAL A 62 35.174 24.618 27.985 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.280 25.164 28.902 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.759 25.736 27.013 1.00 0.00 C ATOM 0 H VAL A 62 33.623 23.386 26.679 1.00 0.00 H new ATOM 0 HA VAL A 62 36.310 23.784 26.361 1.00 0.00 H new ATOM 0 HB VAL A 62 34.364 24.282 28.632 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.890 25.999 29.485 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.616 24.376 29.576 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.120 25.505 28.296 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.423 26.605 27.580 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.611 26.014 26.393 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.948 25.382 26.376 1.00 0.00 H new ATOM 1035 N ALA A 63 35.654 21.553 28.606 1.00 0.00 N ATOM 1036 CA ALA A 63 36.187 20.549 29.474 1.00 0.00 C ATOM 1037 C ALA A 63 37.054 19.580 28.746 1.00 0.00 C ATOM 1038 O ALA A 63 38.025 19.060 29.292 1.00 0.00 O ATOM 1039 CB ALA A 63 35.068 19.734 30.144 1.00 0.00 C ATOM 0 H ALA A 63 34.642 21.487 28.498 1.00 0.00 H new ATOM 0 HA ALA A 63 36.772 21.089 30.219 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.508 18.980 30.797 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.436 20.399 30.732 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.466 19.245 29.378 1.00 0.00 H new ATOM 1045 N ASN A 64 36.753 19.318 27.461 1.00 0.00 N ATOM 1046 CA ASN A 64 37.528 18.388 26.700 1.00 0.00 C ATOM 1047 C ASN A 64 38.884 18.919 26.388 1.00 0.00 C ATOM 1048 O ASN A 64 39.864 18.176 26.381 1.00 0.00 O ATOM 1049 CB ASN A 64 36.798 17.800 25.481 1.00 0.00 C ATOM 1050 CG ASN A 64 36.768 18.658 24.224 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.797 19.050 23.675 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.552 18.949 23.690 1.00 0.00 N ATOM 0 H ASN A 64 35.979 19.746 26.953 1.00 0.00 H new ATOM 0 HA ASN A 64 37.675 17.525 27.349 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.265 16.847 25.232 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.770 17.585 25.771 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.490 19.495 22.830 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.702 18.622 24.149 1.00 0.00 H new ATOM 1059 N LEU A 65 39.006 20.242 26.178 1.00 0.00 N ATOM 1060 CA LEU A 65 40.270 20.868 25.944 1.00 0.00 C ATOM 1061 C LEU A 65 41.150 20.870 27.146 1.00 0.00 C ATOM 1062 O LEU A 65 42.377 20.843 27.070 1.00 0.00 O ATOM 1063 CB LEU A 65 40.178 22.330 25.474 1.00 0.00 C ATOM 1064 CG LEU A 65 39.330 22.549 24.211 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.924 22.989 24.652 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.927 23.610 23.269 1.00 0.00 C ATOM 0 H LEU A 65 38.216 20.887 26.171 1.00 0.00 H new ATOM 0 HA LEU A 65 40.692 20.254 25.149 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.762 22.931 26.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.186 22.701 25.287 1.00 0.00 H new ATOM 0 HG LEU A 65 39.302 21.613 23.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.301 23.151 23.772 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.478 22.213 25.274 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.995 23.915 25.222 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.286 23.722 22.395 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.997 24.563 23.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.922 23.297 22.952 1.00 0.00 H new ATOM 1078 N PHE A 66 40.524 20.935 28.335 1.00 0.00 N ATOM 1079 CA PHE A 66 41.165 21.227 29.581 1.00 0.00 C ATOM 1080 C PHE A 66 41.397 19.979 30.362 1.00 0.00 C ATOM 1081 O PHE A 66 42.016 20.004 31.425 1.00 0.00 O ATOM 1082 CB PHE A 66 40.321 22.184 30.438 1.00 0.00 C ATOM 1083 CG PHE A 66 40.168 23.584 29.950 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.658 24.068 28.760 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.482 24.452 30.767 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.445 25.372 28.377 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.287 25.766 30.415 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.765 26.227 29.211 1.00 0.00 C ATOM 0 H PHE A 66 39.521 20.776 28.432 1.00 0.00 H new ATOM 0 HA PHE A 66 42.117 21.701 29.342 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.325 21.753 30.544 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.760 22.220 31.435 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.221 23.412 28.113 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.088 24.093 31.706 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.811 25.723 27.423 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.761 26.434 31.081 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.607 27.256 28.922 1.00 0.00 H new ATOM 1098 N ARG A 67 40.902 18.837 29.855 1.00 0.00 N ATOM 1099 CA ARG A 67 40.832 17.542 30.458 1.00 0.00 C ATOM 1100 C ARG A 67 41.987 17.116 31.300 1.00 0.00 C ATOM 1101 O ARG A 67 43.142 17.102 30.878 1.00 0.00 O ATOM 1102 CB ARG A 67 40.576 16.534 29.326 1.00 0.00 C ATOM 1103 CG ARG A 67 40.006 15.187 29.774 1.00 0.00 C ATOM 1104 CD ARG A 67 39.696 14.202 28.645 1.00 0.00 C ATOM 1105 NE ARG A 67 40.970 13.605 28.152 1.00 0.00 N ATOM 1106 CZ ARG A 67 41.090 12.943 26.965 1.00 0.00 C ATOM 1107 NH1 ARG A 67 40.036 12.782 26.114 1.00 0.00 N ATOM 1108 NH2 ARG A 67 42.286 12.391 26.606 1.00 0.00 N ATOM 0 H ARG A 67 40.506 18.823 28.915 1.00 0.00 H new ATOM 0 HA ARG A 67 40.024 17.586 31.188 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.887 16.982 28.610 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.514 16.357 28.799 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.715 14.720 30.457 1.00 0.00 H new ATOM 0 HG3 ARG A 67 39.091 15.367 30.338 1.00 0.00 H new ATOM 0 HD2 ARG A 67 39.028 13.419 29.003 1.00 0.00 H new ATOM 0 HD3 ARG A 67 39.181 14.713 27.831 1.00 0.00 H new ATOM 0 HE ARG A 67 41.801 13.697 28.736 1.00 0.00 H new ATOM 0 HH11 ARG A 67 39.121 13.163 26.357 1.00 0.00 H new ATOM 0 HH12 ARG A 67 40.163 12.281 25.234 1.00 0.00 H new ATOM 0 HH21 ARG A 67 43.092 12.473 27.226 1.00 0.00 H new ATOM 0 HH22 ARG A 67 42.373 11.897 25.718 1.00 0.00 H new ATOM 1122 N GLY A 68 41.687 16.803 32.573 1.00 0.00 N ATOM 1123 CA GLY A 68 42.649 16.576 33.607 1.00 0.00 C ATOM 1124 C GLY A 68 42.679 17.695 34.590 1.00 0.00 C ATOM 1125 O GLY A 68 42.871 17.491 35.788 1.00 0.00 O ATOM 0 H GLY A 68 40.725 16.703 32.897 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.415 15.645 34.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.637 16.455 33.164 1.00 0.00 H new ATOM 1129 N GLN A 69 42.506 18.942 34.116 1.00 0.00 N ATOM 1130 CA GLN A 69 42.540 20.122 34.925 1.00 0.00 C ATOM 1131 C GLN A 69 41.161 20.514 35.329 1.00 0.00 C ATOM 1132 O GLN A 69 40.419 21.197 34.625 1.00 0.00 O ATOM 1133 CB GLN A 69 43.203 21.288 34.174 1.00 0.00 C ATOM 1134 CG GLN A 69 44.653 21.013 33.772 1.00 0.00 C ATOM 1135 CD GLN A 69 45.038 21.693 32.465 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.538 21.067 31.532 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.787 23.026 32.378 1.00 0.00 N ATOM 0 H GLN A 69 42.336 19.136 33.129 1.00 0.00 H new ATOM 0 HA GLN A 69 43.129 19.898 35.814 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.622 21.509 33.278 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.172 22.178 34.802 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.317 21.356 34.565 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.801 19.938 33.675 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.371 23.519 33.168 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.014 23.533 31.523 1.00 0.00 H new ATOM 1146 N GLU A 70 40.746 20.058 36.525 1.00 0.00 N ATOM 1147 CA GLU A 70 39.423 20.220 37.043 1.00 0.00 C ATOM 1148 C GLU A 70 39.172 21.556 37.655 1.00 0.00 C ATOM 1149 O GLU A 70 38.037 22.026 37.703 1.00 0.00 O ATOM 1150 CB GLU A 70 39.097 19.107 38.052 1.00 0.00 C ATOM 1151 CG GLU A 70 39.230 17.712 37.437 1.00 0.00 C ATOM 1152 CD GLU A 70 38.607 16.637 38.317 1.00 0.00 C ATOM 1153 OE1 GLU A 70 37.354 16.648 38.449 1.00 0.00 O ATOM 1154 OE2 GLU A 70 39.340 15.768 38.860 1.00 0.00 O ATOM 0 H GLU A 70 41.363 19.552 37.161 1.00 0.00 H new ATOM 0 HA GLU A 70 38.758 20.148 36.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.765 19.189 38.909 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.082 19.243 38.425 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.751 17.701 36.458 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.284 17.485 37.279 1.00 0.00 H new ATOM 1161 N ASP A 71 40.224 22.245 38.132 1.00 0.00 N ATOM 1162 CA ASP A 71 40.127 23.477 38.853 1.00 0.00 C ATOM 1163 C ASP A 71 39.686 24.631 38.020 1.00 0.00 C ATOM 1164 O ASP A 71 39.061 25.568 38.512 1.00 0.00 O ATOM 1165 CB ASP A 71 41.422 23.760 39.635 1.00 0.00 C ATOM 1166 CG ASP A 71 42.668 23.871 38.768 1.00 0.00 C ATOM 1167 OD1 ASP A 71 43.116 22.841 38.196 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.242 24.990 38.690 1.00 0.00 O ATOM 0 H ASP A 71 41.186 21.929 38.010 1.00 0.00 H new ATOM 0 HA ASP A 71 39.324 23.350 39.579 1.00 0.00 H new ATOM 0 HB2 ASP A 71 41.299 24.688 40.194 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.572 22.965 40.366 1.00 0.00 H new ATOM 1173 N LEU A 72 39.931 24.582 36.698 1.00 0.00 N ATOM 1174 CA LEU A 72 39.450 25.547 35.758 1.00 0.00 C ATOM 1175 C LEU A 72 37.973 25.510 35.566 1.00 0.00 C ATOM 1176 O LEU A 72 37.320 26.549 35.468 1.00 0.00 O ATOM 1177 CB LEU A 72 40.151 25.361 34.403 1.00 0.00 C ATOM 1178 CG LEU A 72 41.681 25.511 34.459 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.264 25.270 33.056 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.131 26.883 34.986 1.00 0.00 C ATOM 0 H LEU A 72 40.485 23.842 36.267 1.00 0.00 H new ATOM 0 HA LEU A 72 39.687 26.524 36.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.908 24.372 34.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.751 26.089 33.697 1.00 0.00 H new ATOM 0 HG LEU A 72 42.056 24.769 35.163 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.348 25.375 33.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.007 24.264 32.723 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.850 26.000 32.360 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.220 26.927 35.002 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.745 27.667 34.335 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.747 27.029 35.996 1.00 0.00 H new ATOM 1192 N LEU A 73 37.335 24.327 35.533 1.00 0.00 N ATOM 1193 CA LEU A 73 35.918 24.209 35.377 1.00 0.00 C ATOM 1194 C LEU A 73 35.201 24.557 36.635 1.00 0.00 C ATOM 1195 O LEU A 73 34.027 24.926 36.648 1.00 0.00 O ATOM 1196 CB LEU A 73 35.490 22.800 34.936 1.00 0.00 C ATOM 1197 CG LEU A 73 35.807 22.433 33.477 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.215 23.424 32.459 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.315 22.233 33.254 1.00 0.00 C ATOM 0 H LEU A 73 37.815 23.431 35.617 1.00 0.00 H new ATOM 0 HA LEU A 73 35.647 24.915 34.592 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.974 22.073 35.588 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.416 22.701 35.091 1.00 0.00 H new ATOM 0 HG LEU A 73 35.312 21.479 33.296 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.475 23.107 31.449 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.130 23.448 32.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.620 24.419 32.643 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.497 21.975 32.211 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.844 23.154 33.498 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.674 21.428 33.895 1.00 0.00 H new ATOM 1211 N SER A 74 35.931 24.499 37.763 1.00 0.00 N ATOM 1212 CA SER A 74 35.500 24.931 39.056 1.00 0.00 C ATOM 1213 C SER A 74 35.331 26.408 39.141 1.00 0.00 C ATOM 1214 O SER A 74 34.314 26.908 39.621 1.00 0.00 O ATOM 1215 CB SER A 74 36.417 24.418 40.180 1.00 0.00 C ATOM 1216 OG SER A 74 35.758 24.386 41.437 1.00 0.00 O ATOM 0 H SER A 74 36.881 24.127 37.772 1.00 0.00 H new ATOM 0 HA SER A 74 34.517 24.484 39.202 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.769 23.417 39.931 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.297 25.058 40.249 1.00 0.00 H new ATOM 0 HG SER A 74 36.375 24.053 42.122 1.00 0.00 H new ATOM 1222 N GLU A 75 36.284 27.180 38.590 1.00 0.00 N ATOM 1223 CA GLU A 75 36.179 28.591 38.378 1.00 0.00 C ATOM 1224 C GLU A 75 35.177 28.968 37.341 1.00 0.00 C ATOM 1225 O GLU A 75 34.702 30.102 37.311 1.00 0.00 O ATOM 1226 CB GLU A 75 37.525 29.225 37.989 1.00 0.00 C ATOM 1227 CG GLU A 75 38.533 29.413 39.125 1.00 0.00 C ATOM 1228 CD GLU A 75 38.240 30.608 40.021 1.00 0.00 C ATOM 1229 OE1 GLU A 75 37.300 30.537 40.857 1.00 0.00 O ATOM 1230 OE2 GLU A 75 38.984 31.619 39.927 1.00 0.00 O ATOM 0 H GLU A 75 37.176 26.799 38.275 1.00 0.00 H new ATOM 0 HA GLU A 75 35.846 28.977 39.341 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.986 28.606 37.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.329 30.198 37.540 1.00 0.00 H new ATOM 0 HG2 GLU A 75 38.550 28.510 39.735 1.00 0.00 H new ATOM 0 HG3 GLU A 75 39.529 29.528 38.698 1.00 0.00 H new ATOM 1237 N PHE A 76 34.785 28.047 36.443 1.00 0.00 N ATOM 1238 CA PHE A 76 33.710 28.277 35.528 1.00 0.00 C ATOM 1239 C PHE A 76 32.388 28.212 36.214 1.00 0.00 C ATOM 1240 O PHE A 76 31.386 28.792 35.798 1.00 0.00 O ATOM 1241 CB PHE A 76 33.773 27.239 34.396 1.00 0.00 C ATOM 1242 CG PHE A 76 33.453 27.709 33.019 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.061 28.990 32.707 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.578 26.796 31.998 1.00 0.00 C ATOM 1245 CE1 PHE A 76 32.856 29.359 31.398 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.344 27.144 30.688 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.008 28.443 30.384 1.00 0.00 C ATOM 0 H PHE A 76 35.220 27.129 36.350 1.00 0.00 H new ATOM 0 HA PHE A 76 33.817 29.280 35.114 1.00 0.00 H new ATOM 0 HB2 PHE A 76 34.777 26.815 34.383 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.088 26.428 34.643 1.00 0.00 H new ATOM 0 HD1 PHE A 76 32.913 29.712 33.496 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.867 25.782 32.230 1.00 0.00 H new ATOM 0 HE1 PHE A 76 32.574 30.375 31.165 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.423 26.404 29.905 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.865 28.741 29.356 1.00 0.00 H new ATOM 1257 N GLY A 77 32.352 27.518 37.365 1.00 0.00 N ATOM 1258 CA GLY A 77 31.196 27.258 38.165 1.00 0.00 C ATOM 1259 C GLY A 77 30.607 28.443 38.851 1.00 0.00 C ATOM 1260 O GLY A 77 29.478 28.384 39.335 1.00 0.00 O ATOM 0 H GLY A 77 33.196 27.108 37.766 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.431 26.810 37.531 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.458 26.517 38.920 1.00 0.00 H new ATOM 1264 N GLN A 78 31.351 29.560 38.954 1.00 0.00 N ATOM 1265 CA GLN A 78 30.921 30.793 39.535 1.00 0.00 C ATOM 1266 C GLN A 78 29.669 31.325 38.925 1.00 0.00 C ATOM 1267 O GLN A 78 28.721 31.692 39.619 1.00 0.00 O ATOM 1268 CB GLN A 78 32.037 31.844 39.407 1.00 0.00 C ATOM 1269 CG GLN A 78 33.400 31.356 39.902 1.00 0.00 C ATOM 1270 CD GLN A 78 33.491 31.225 41.416 1.00 0.00 C ATOM 1271 OE1 GLN A 78 32.627 31.644 42.185 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.616 30.633 41.898 1.00 0.00 N ATOM 0 H GLN A 78 32.310 29.603 38.610 1.00 0.00 H new ATOM 0 HA GLN A 78 30.704 30.586 40.583 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.125 32.142 38.362 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.753 32.733 39.970 1.00 0.00 H new ATOM 0 HG2 GLN A 78 33.616 30.388 39.449 1.00 0.00 H new ATOM 0 HG3 GLN A 78 34.170 32.047 39.559 1.00 0.00 H new ATOM 0 HE21 GLN A 78 35.327 30.288 41.253 1.00 0.00 H new ATOM 0 HE22 GLN A 78 34.749 30.533 42.904 1.00 0.00 H new ATOM 1466 N ASN B 201 29.580 36.028 33.428 1.00 0.00 N ATOM 1467 CA ASN B 201 28.902 35.222 32.461 1.00 0.00 C ATOM 1468 C ASN B 201 29.777 34.899 31.300 1.00 0.00 C ATOM 1469 O ASN B 201 30.766 35.574 31.019 1.00 0.00 O ATOM 1470 CB ASN B 201 27.645 35.907 31.901 1.00 0.00 C ATOM 1471 CG ASN B 201 26.537 36.072 32.933 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.730 36.125 34.146 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.287 36.169 32.407 1.00 0.00 N ATOM 0 HA ASN B 201 28.623 34.315 32.996 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.918 36.888 31.511 1.00 0.00 H new ATOM 0 HB3 ASN B 201 27.266 35.324 31.061 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.483 36.289 33.023 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.154 36.122 31.397 1.00 0.00 H new ATOM 1480 N ILE B 202 29.399 33.873 30.515 1.00 0.00 N ATOM 1481 CA ILE B 202 30.061 33.524 29.298 1.00 0.00 C ATOM 1482 C ILE B 202 30.014 34.629 28.298 1.00 0.00 C ATOM 1483 O ILE B 202 30.970 34.836 27.554 1.00 0.00 O ATOM 1484 CB ILE B 202 29.650 32.171 28.797 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.311 31.132 29.718 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.056 31.976 27.327 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.034 29.668 29.384 1.00 0.00 C ATOM 0 H ILE B 202 28.608 33.268 30.735 1.00 0.00 H new ATOM 0 HA ILE B 202 31.124 33.409 29.509 1.00 0.00 H new ATOM 0 HB ILE B 202 28.566 32.060 28.823 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.389 31.291 29.697 1.00 0.00 H new ATOM 0 HG13 ILE B 202 29.981 31.320 30.740 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.745 30.987 26.992 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.573 32.736 26.712 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.138 32.067 27.233 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.551 29.028 30.099 1.00 0.00 H new ATOM 0 HD12 ILE B 202 28.962 29.479 29.437 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.392 29.450 28.378 1.00 0.00 H new ATOM 1499 N GLN B 203 28.971 35.477 28.322 1.00 0.00 N ATOM 1500 CA GLN B 203 28.921 36.755 27.682 1.00 0.00 C ATOM 1501 C GLN B 203 30.138 37.607 27.803 1.00 0.00 C ATOM 1502 O GLN B 203 30.645 38.153 26.824 1.00 0.00 O ATOM 1503 CB GLN B 203 27.726 37.542 28.247 1.00 0.00 C ATOM 1504 CG GLN B 203 27.426 38.872 27.552 1.00 0.00 C ATOM 1505 CD GLN B 203 26.402 39.675 28.341 1.00 0.00 C ATOM 1506 OE1 GLN B 203 25.431 39.153 28.887 1.00 0.00 O ATOM 1507 NE2 GLN B 203 26.637 41.011 28.425 1.00 0.00 N ATOM 0 H GLN B 203 28.109 35.256 28.820 1.00 0.00 H new ATOM 0 HA GLN B 203 28.832 36.530 26.619 1.00 0.00 H new ATOM 0 HB2 GLN B 203 26.838 36.913 28.188 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.909 37.737 29.304 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.345 39.449 27.448 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.051 38.685 26.546 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.451 41.416 27.962 1.00 0.00 H new ATOM 0 HE22 GLN B 203 26.000 41.609 28.951 1.00 0.00 H new ATOM 1516 N MET B 204 30.687 37.731 29.024 1.00 0.00 N ATOM 1517 CA MET B 204 31.806 38.553 29.364 1.00 0.00 C ATOM 1518 C MET B 204 33.122 37.937 29.033 1.00 0.00 C ATOM 1519 O MET B 204 34.127 38.628 28.871 1.00 0.00 O ATOM 1520 CB MET B 204 31.647 38.889 30.856 1.00 0.00 C ATOM 1521 CG MET B 204 32.581 40.015 31.304 1.00 0.00 C ATOM 1522 SD MET B 204 31.949 41.137 32.587 1.00 0.00 S ATOM 1523 CE MET B 204 31.998 40.000 34.002 1.00 0.00 C ATOM 0 H MET B 204 30.323 37.221 29.829 1.00 0.00 H new ATOM 0 HA MET B 204 31.810 39.461 28.762 1.00 0.00 H new ATOM 0 HB2 MET B 204 30.614 39.178 31.052 1.00 0.00 H new ATOM 0 HB3 MET B 204 31.847 37.997 31.450 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.505 39.566 31.669 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.841 40.611 30.429 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.797 40.552 34.920 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.243 39.225 33.872 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.984 39.539 34.065 1.00 0.00 H new ATOM 1533 N LEU B 205 33.200 36.602 28.893 1.00 0.00 N ATOM 1534 CA LEU B 205 34.415 35.890 28.644 1.00 0.00 C ATOM 1535 C LEU B 205 35.129 36.211 27.377 1.00 0.00 C ATOM 1536 O LEU B 205 36.357 36.250 27.323 1.00 0.00 O ATOM 1537 CB LEU B 205 34.245 34.366 28.756 1.00 0.00 C ATOM 1538 CG LEU B 205 34.213 33.792 30.183 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.253 32.256 30.117 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.390 34.283 31.042 1.00 0.00 C ATOM 0 H LEU B 205 32.384 35.994 28.956 1.00 0.00 H new ATOM 0 HA LEU B 205 35.054 36.259 29.446 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.320 34.086 28.253 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.060 33.889 28.212 1.00 0.00 H new ATOM 0 HG LEU B 205 33.292 34.139 30.650 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.230 31.848 31.127 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.389 31.893 29.560 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.168 31.937 29.617 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.319 33.848 32.039 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.329 33.980 30.580 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.357 35.370 31.117 1.00 0.00 H new ATOM 1552 N LEU B 206 34.371 36.489 26.301 1.00 0.00 N ATOM 1553 CA LEU B 206 34.881 36.869 25.020 1.00 0.00 C ATOM 1554 C LEU B 206 35.350 38.283 24.985 1.00 0.00 C ATOM 1555 O LEU B 206 36.125 38.668 24.112 1.00 0.00 O ATOM 1556 CB LEU B 206 33.796 36.555 23.976 1.00 0.00 C ATOM 1557 CG LEU B 206 33.384 35.074 23.915 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.604 34.139 23.896 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.374 34.604 24.975 1.00 0.00 C ATOM 0 H LEU B 206 33.352 36.447 26.326 1.00 0.00 H new ATOM 0 HA LEU B 206 35.778 36.294 24.788 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.914 37.157 24.194 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.155 36.861 22.993 1.00 0.00 H new ATOM 0 HG LEU B 206 32.849 35.010 22.968 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.268 33.103 23.853 1.00 0.00 H new ATOM 0 HD12 LEU B 206 35.217 34.358 23.022 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.194 34.292 24.800 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.161 33.545 24.831 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.792 34.758 25.970 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.451 35.176 24.877 1.00 0.00 H new ATOM 1571 N GLU B 207 34.942 39.100 25.974 1.00 0.00 N ATOM 1572 CA GLU B 207 35.448 40.425 26.150 1.00 0.00 C ATOM 1573 C GLU B 207 36.751 40.396 26.871 1.00 0.00 C ATOM 1574 O GLU B 207 37.733 40.993 26.433 1.00 0.00 O ATOM 1575 CB GLU B 207 34.470 41.351 26.893 1.00 0.00 C ATOM 1576 CG GLU B 207 33.152 41.545 26.140 1.00 0.00 C ATOM 1577 CD GLU B 207 32.279 42.662 26.697 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.798 43.760 27.029 1.00 0.00 O ATOM 1579 OE2 GLU B 207 31.036 42.459 26.735 1.00 0.00 O ATOM 0 H GLU B 207 34.244 38.832 26.667 1.00 0.00 H new ATOM 0 HA GLU B 207 35.584 40.834 25.149 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.262 40.937 27.880 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.942 42.321 27.048 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.371 41.757 25.093 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.590 40.611 26.166 1.00 0.00 H new ATOM 1586 N ALA B 208 36.822 39.643 27.984 1.00 0.00 N ATOM 1587 CA ALA B 208 37.994 39.439 28.776 1.00 0.00 C ATOM 1588 C ALA B 208 39.157 38.887 28.026 1.00 0.00 C ATOM 1589 O ALA B 208 40.303 39.257 28.275 1.00 0.00 O ATOM 1590 CB ALA B 208 37.665 38.543 29.982 1.00 0.00 C ATOM 0 H ALA B 208 36.010 39.147 28.352 1.00 0.00 H new ATOM 0 HA ALA B 208 38.304 40.429 29.110 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.564 38.393 30.580 1.00 0.00 H new ATOM 0 HB2 ALA B 208 36.899 39.021 30.592 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.299 37.579 29.630 1.00 0.00 H new ATOM 1596 N ALA B 209 38.912 38.015 27.032 1.00 0.00 N ATOM 1597 CA ALA B 209 39.912 37.482 26.162 1.00 0.00 C ATOM 1598 C ALA B 209 40.577 38.470 25.267 1.00 0.00 C ATOM 1599 O ALA B 209 41.801 38.450 25.147 1.00 0.00 O ATOM 1600 CB ALA B 209 39.304 36.327 25.349 1.00 0.00 C ATOM 0 H ALA B 209 37.976 37.667 26.826 1.00 0.00 H new ATOM 0 HA ALA B 209 40.716 37.129 26.807 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.061 35.914 24.682 1.00 0.00 H new ATOM 0 HB2 ALA B 209 38.955 35.549 26.028 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.465 36.698 24.760 1.00 0.00 H new ATOM 1606 N ASP B 210 39.833 39.396 24.637 1.00 0.00 N ATOM 1607 CA ASP B 210 40.354 40.435 23.802 1.00 0.00 C ATOM 1608 C ASP B 210 41.101 41.440 24.608 1.00 0.00 C ATOM 1609 O ASP B 210 42.207 41.859 24.272 1.00 0.00 O ATOM 1610 CB ASP B 210 39.207 41.109 23.030 1.00 0.00 C ATOM 1611 CG ASP B 210 39.680 42.088 21.966 1.00 0.00 C ATOM 1612 OD1 ASP B 210 40.069 41.646 20.853 1.00 0.00 O ATOM 1613 OD2 ASP B 210 39.616 43.321 22.216 1.00 0.00 O ATOM 0 H ASP B 210 38.816 39.422 24.714 1.00 0.00 H new ATOM 0 HA ASP B 210 41.050 39.992 23.089 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.597 40.339 22.558 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.565 41.636 23.736 1.00 0.00 H new ATOM 1618 N TYR B 211 40.522 41.836 25.756 1.00 0.00 N ATOM 1619 CA TYR B 211 41.075 42.689 26.762 1.00 0.00 C ATOM 1620 C TYR B 211 42.431 42.275 27.219 1.00 0.00 C ATOM 1621 O TYR B 211 43.359 43.080 27.286 1.00 0.00 O ATOM 1622 CB TYR B 211 40.035 42.714 27.895 1.00 0.00 C ATOM 1623 CG TYR B 211 40.453 43.418 29.139 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.086 42.713 30.134 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.182 44.755 29.317 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.440 43.335 31.309 1.00 0.00 C ATOM 1627 CE2 TYR B 211 40.529 45.378 30.493 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.150 44.666 31.491 1.00 0.00 C ATOM 1629 OH TYR B 211 41.473 45.326 32.696 1.00 0.00 O ATOM 0 H TYR B 211 39.580 41.530 26.000 1.00 0.00 H new ATOM 0 HA TYR B 211 41.253 43.689 26.366 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.127 43.186 27.520 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.778 41.686 28.150 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.307 41.665 29.993 1.00 0.00 H new ATOM 0 HD2 TYR B 211 39.696 45.316 28.532 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.944 42.779 32.086 1.00 0.00 H new ATOM 0 HE2 TYR B 211 40.313 46.427 30.632 1.00 0.00 H new ATOM 0 HH TYR B 211 41.193 46.264 32.641 1.00 0.00 H new ATOM 1639 N LEU B 212 42.637 40.986 27.538 1.00 0.00 N ATOM 1640 CA LEU B 212 43.902 40.482 27.974 1.00 0.00 C ATOM 1641 C LEU B 212 44.960 40.427 26.927 1.00 0.00 C ATOM 1642 O LEU B 212 46.145 40.554 27.230 1.00 0.00 O ATOM 1643 CB LEU B 212 43.701 39.119 28.658 1.00 0.00 C ATOM 1644 CG LEU B 212 43.611 39.221 30.191 1.00 0.00 C ATOM 1645 CD1 LEU B 212 42.978 37.921 30.712 1.00 0.00 C ATOM 1646 CD2 LEU B 212 44.969 39.451 30.876 1.00 0.00 C ATOM 0 H LEU B 212 41.906 40.276 27.492 1.00 0.00 H new ATOM 0 HA LEU B 212 44.290 41.207 28.690 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.790 38.658 28.276 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.527 38.460 28.391 1.00 0.00 H new ATOM 0 HG LEU B 212 43.005 40.094 30.433 1.00 0.00 H new ATOM 0 HD11 LEU B 212 42.901 37.964 31.798 1.00 0.00 H new ATOM 0 HD12 LEU B 212 41.983 37.803 30.282 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.600 37.073 30.426 1.00 0.00 H new ATOM 0 HD21 LEU B 212 44.827 39.512 31.955 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.638 38.622 30.645 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.406 40.382 30.514 1.00 0.00 H new ATOM 1658 N GLU B 213 44.599 40.324 25.635 1.00 0.00 N ATOM 1659 CA GLU B 213 45.520 40.500 24.555 1.00 0.00 C ATOM 1660 C GLU B 213 45.995 41.905 24.417 1.00 0.00 C ATOM 1661 O GLU B 213 47.122 42.167 23.999 1.00 0.00 O ATOM 1662 CB GLU B 213 44.944 40.043 23.204 1.00 0.00 C ATOM 1663 CG GLU B 213 44.715 38.534 23.118 1.00 0.00 C ATOM 1664 CD GLU B 213 44.396 38.130 21.685 1.00 0.00 C ATOM 1665 OE1 GLU B 213 43.326 38.528 21.152 1.00 0.00 O ATOM 1666 OE2 GLU B 213 45.239 37.450 21.041 1.00 0.00 O ATOM 0 H GLU B 213 43.647 40.114 25.334 1.00 0.00 H new ATOM 0 HA GLU B 213 46.367 39.866 24.817 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.999 40.557 23.029 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.624 40.345 22.407 1.00 0.00 H new ATOM 0 HG2 GLU B 213 45.603 38.004 23.464 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.895 38.245 23.776 1.00 0.00 H new ATOM 1673 N ARG B 214 45.168 42.888 24.816 1.00 0.00 N ATOM 1674 CA ARG B 214 45.544 44.266 24.905 1.00 0.00 C ATOM 1675 C ARG B 214 46.425 44.536 26.076 1.00 0.00 C ATOM 1676 O ARG B 214 47.290 45.408 26.012 1.00 0.00 O ATOM 1677 CB ARG B 214 44.318 45.194 24.910 1.00 0.00 C ATOM 1678 CG ARG B 214 43.460 45.035 23.655 1.00 0.00 C ATOM 1679 CD ARG B 214 42.160 45.843 23.676 1.00 0.00 C ATOM 1680 NE ARG B 214 41.367 45.396 22.496 1.00 0.00 N ATOM 1681 CZ ARG B 214 41.454 45.905 21.233 1.00 0.00 C ATOM 1682 NH1 ARG B 214 42.155 47.035 20.922 1.00 0.00 N ATOM 1683 NH2 ARG B 214 40.808 45.219 20.245 1.00 0.00 N ATOM 0 H ARG B 214 44.200 42.717 25.087 1.00 0.00 H new ATOM 0 HA ARG B 214 46.123 44.486 24.008 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.711 44.984 25.791 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.650 46.229 24.991 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.047 45.335 22.787 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.217 43.980 23.526 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.610 45.670 24.601 1.00 0.00 H new ATOM 0 HD3 ARG B 214 42.366 46.912 23.623 1.00 0.00 H new ATOM 0 HE ARG B 214 40.698 44.641 22.646 1.00 0.00 H new ATOM 0 HH11 ARG B 214 42.650 47.546 21.653 1.00 0.00 H new ATOM 0 HH12 ARG B 214 42.184 47.368 19.958 1.00 0.00 H new ATOM 0 HH21 ARG B 214 40.292 44.368 20.469 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.842 45.557 19.283 1.00 0.00 H new ATOM 1697 N ARG B 215 46.300 43.771 27.175 1.00 0.00 N ATOM 1698 CA ARG B 215 47.249 43.760 28.245 1.00 0.00 C ATOM 1699 C ARG B 215 48.580 43.222 27.846 1.00 0.00 C ATOM 1700 O ARG B 215 49.613 43.745 28.262 1.00 0.00 O ATOM 1701 CB ARG B 215 46.805 42.984 29.497 1.00 0.00 C ATOM 1702 CG ARG B 215 45.721 43.656 30.344 1.00 0.00 C ATOM 1703 CD ARG B 215 45.697 43.088 31.764 1.00 0.00 C ATOM 1704 NE ARG B 215 44.628 43.767 32.548 1.00 0.00 N ATOM 1705 CZ ARG B 215 44.268 43.375 33.806 1.00 0.00 C ATOM 1706 NH1 ARG B 215 44.868 42.329 34.447 1.00 0.00 N ATOM 1707 NH2 ARG B 215 43.267 44.033 34.459 1.00 0.00 N ATOM 0 H ARG B 215 45.513 43.140 27.324 1.00 0.00 H new ATOM 0 HA ARG B 215 47.322 44.819 28.494 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.442 42.005 29.185 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.679 42.815 30.126 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.900 44.731 30.382 1.00 0.00 H new ATOM 0 HG3 ARG B 215 44.748 43.511 29.875 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.516 42.014 31.735 1.00 0.00 H new ATOM 0 HD3 ARG B 215 46.665 43.235 32.243 1.00 0.00 H new ATOM 0 HE ARG B 215 44.143 44.560 32.127 1.00 0.00 H new ATOM 0 HH11 ARG B 215 45.615 41.809 33.986 1.00 0.00 H new ATOM 0 HH12 ARG B 215 44.570 42.068 35.387 1.00 0.00 H new ATOM 0 HH21 ARG B 215 42.791 44.814 34.008 1.00 0.00 H new ATOM 0 HH22 ARG B 215 42.995 43.744 35.398 1.00 0.00 H new