USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 9 GLN : amide:sc= -1.01 K(o=-1.5,f=-7.1!) USER MOD Set 1.2: A 13 MET CE :methyl 171:sc= -0.467 (180deg=-0.551) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 75:sc= -0.389! USER MOD Single : A 8 MET CE :methyl 165:sc= -0.0878 (180deg=-0.478) USER MOD Single : A 20 CYS SG : rot -110:sc= -2.14 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.414 (180deg=-1.83!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 8:sc= 0.313 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.368 F(o=-5.7!,f=-0.37) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 175:sc= -0.426 (180deg=-0.513) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 86 THR OG1 : rot 55:sc= 0.308 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -162:sc= -0.106 (180deg=-0.546) USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 94 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.48) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 102 THR OG1 : rot 144:sc= -1.02! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0442 F(o=-1.9!,f=-0.044) USER MOD Single : A 104 ASN : amide:sc= -3.76! C(o=-3.8!,f=-4.9!) USER MOD Single : A 105 ASN : amide:sc= -0.118 K(o=-0.12,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -41.921 14.005 1.921 1.00 5.46 N ATOM 16 CA ILE A 2 -41.483 12.676 1.558 1.00 4.94 C ATOM 17 C ILE A 2 -40.275 12.264 2.390 1.00 4.60 C ATOM 18 O ILE A 2 -39.184 12.814 2.244 1.00 4.72 O ATOM 19 CB ILE A 2 -41.153 12.607 0.054 1.00 4.98 C ATOM 20 CG1 ILE A 2 -42.396 12.954 -0.773 1.00 5.40 C ATOM 21 CG2 ILE A 2 -40.640 11.225 -0.311 1.00 4.52 C ATOM 22 CD1 ILE A 2 -42.138 13.040 -2.259 1.00 5.69 C ATOM 0 HA ILE A 2 -42.295 11.979 1.764 1.00 4.94 H new ATOM 0 HB ILE A 2 -40.372 13.333 -0.169 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -43.163 12.202 -0.590 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -42.796 13.908 -0.428 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -40.411 11.191 -1.376 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -39.738 11.009 0.261 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -41.403 10.481 -0.080 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -43.065 13.289 -2.775 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -41.394 13.812 -2.455 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -41.768 12.080 -2.620 1.00 5.69 H new ATOM 34 N ASP A 3 -40.498 11.311 3.286 1.00 4.29 N ATOM 35 CA ASP A 3 -39.448 10.809 4.164 1.00 4.07 C ATOM 36 C ASP A 3 -38.480 9.914 3.392 1.00 3.76 C ATOM 37 O ASP A 3 -38.650 8.693 3.332 1.00 3.50 O ATOM 38 CB ASP A 3 -40.069 10.032 5.330 1.00 3.99 C ATOM 39 CG ASP A 3 -39.050 9.645 6.381 1.00 4.25 C ATOM 40 OD1 ASP A 3 -38.228 8.745 6.117 1.00 4.39 O ATOM 41 OD2 ASP A 3 -39.077 10.228 7.485 1.00 4.60 O ATOM 0 H ASP A 3 -41.406 10.866 3.424 1.00 4.29 H new ATOM 0 HA ASP A 3 -38.890 11.658 4.558 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -40.849 10.638 5.791 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -40.550 9.132 4.947 1.00 3.99 H new ATOM 46 N GLU A 4 -37.488 10.530 2.768 1.00 3.88 N ATOM 47 CA GLU A 4 -36.475 9.792 2.022 1.00 3.72 C ATOM 48 C GLU A 4 -35.511 9.052 2.940 1.00 3.64 C ATOM 49 O GLU A 4 -34.643 8.313 2.479 1.00 3.58 O ATOM 50 CB GLU A 4 -35.721 10.715 1.074 1.00 4.04 C ATOM 51 CG GLU A 4 -36.582 11.208 -0.071 1.00 4.23 C ATOM 52 CD GLU A 4 -35.777 11.879 -1.166 1.00 4.68 C ATOM 53 OE1 GLU A 4 -34.997 11.181 -1.842 1.00 4.67 O ATOM 54 OE2 GLU A 4 -35.920 13.104 -1.360 1.00 5.13 O ATOM 0 H GLU A 4 -37.361 11.542 2.762 1.00 3.88 H new ATOM 0 HA GLU A 4 -36.996 9.039 1.431 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -35.341 11.571 1.632 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -34.856 10.188 0.672 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -37.132 10.367 -0.494 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -37.321 11.911 0.313 1.00 4.23 H new ATOM 61 N SER A 5 -35.653 9.249 4.237 1.00 3.76 N ATOM 62 CA SER A 5 -34.869 8.491 5.194 1.00 3.85 C ATOM 63 C SER A 5 -35.310 7.029 5.150 1.00 3.61 C ATOM 64 O SER A 5 -34.507 6.117 5.341 1.00 3.72 O ATOM 65 CB SER A 5 -35.034 9.073 6.601 1.00 4.10 C ATOM 66 OG SER A 5 -34.044 8.571 7.485 1.00 4.17 O ATOM 0 H SER A 5 -36.299 9.922 4.650 1.00 3.76 H new ATOM 0 HA SER A 5 -33.812 8.553 4.934 1.00 3.85 H new ATOM 0 HB2 SER A 5 -34.968 10.160 6.557 1.00 4.10 H new ATOM 0 HB3 SER A 5 -36.025 8.829 6.984 1.00 4.10 H new ATOM 0 HG SER A 5 -34.172 8.960 8.375 1.00 4.17 H new ATOM 72 N SER A 6 -36.589 6.821 4.854 1.00 3.37 N ATOM 73 CA SER A 6 -37.149 5.483 4.722 1.00 3.21 C ATOM 74 C SER A 6 -36.524 4.744 3.536 1.00 3.07 C ATOM 75 O SER A 6 -36.118 3.590 3.653 1.00 3.14 O ATOM 76 CB SER A 6 -38.664 5.584 4.545 1.00 3.12 C ATOM 77 OG SER A 6 -39.243 6.369 5.576 1.00 3.42 O ATOM 0 H SER A 6 -37.262 7.572 4.700 1.00 3.37 H new ATOM 0 HA SER A 6 -36.925 4.916 5.626 1.00 3.21 H new ATOM 0 HB2 SER A 6 -38.892 6.025 3.575 1.00 3.12 H new ATOM 0 HB3 SER A 6 -39.102 4.586 4.552 1.00 3.12 H new ATOM 0 HG SER A 6 -39.056 7.317 5.410 1.00 3.42 H new ATOM 83 N VAL A 7 -36.428 5.412 2.394 1.00 2.98 N ATOM 84 CA VAL A 7 -35.825 4.784 1.229 1.00 2.91 C ATOM 85 C VAL A 7 -34.333 4.587 1.442 1.00 3.12 C ATOM 86 O VAL A 7 -33.785 3.541 1.106 1.00 3.14 O ATOM 87 CB VAL A 7 -36.076 5.565 -0.081 1.00 2.96 C ATOM 88 CG1 VAL A 7 -35.707 7.030 0.044 1.00 3.24 C ATOM 89 CG2 VAL A 7 -35.311 4.928 -1.223 1.00 2.98 C ATOM 0 H VAL A 7 -36.753 6.368 2.251 1.00 2.98 H new ATOM 0 HA VAL A 7 -36.311 3.815 1.117 1.00 2.91 H new ATOM 0 HB VAL A 7 -37.145 5.517 -0.288 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -35.901 7.536 -0.902 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -36.305 7.490 0.831 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -34.649 7.119 0.293 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -35.495 5.487 -2.141 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -34.244 4.941 -0.998 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -35.642 3.898 -1.353 1.00 2.98 H new ATOM 99 N MET A 8 -33.690 5.582 2.031 1.00 3.37 N ATOM 100 CA MET A 8 -32.265 5.497 2.321 1.00 3.71 C ATOM 101 C MET A 8 -31.962 4.389 3.323 1.00 3.85 C ATOM 102 O MET A 8 -30.889 3.785 3.271 1.00 4.12 O ATOM 103 CB MET A 8 -31.729 6.833 2.828 1.00 4.00 C ATOM 104 CG MET A 8 -31.409 7.811 1.712 1.00 4.07 C ATOM 105 SD MET A 8 -30.983 9.457 2.321 1.00 4.46 S ATOM 106 CE MET A 8 -29.561 9.082 3.345 1.00 5.17 C ATOM 0 H MET A 8 -34.129 6.457 2.318 1.00 3.37 H new ATOM 0 HA MET A 8 -31.759 5.253 1.387 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.464 7.282 3.496 1.00 4.00 H new ATOM 0 HB3 MET A 8 -30.829 6.656 3.417 1.00 4.00 H new ATOM 0 HG2 MET A 8 -30.580 7.422 1.121 1.00 4.07 H new ATOM 0 HG3 MET A 8 -32.268 7.887 1.045 1.00 4.07 H new ATOM 0 HE1 MET A 8 -29.025 10.003 3.575 1.00 5.17 H new ATOM 0 HE2 MET A 8 -29.893 8.614 4.272 1.00 5.17 H new ATOM 0 HE3 MET A 8 -28.898 8.401 2.812 1.00 5.17 H new ATOM 116 N GLN A 9 -32.897 4.111 4.228 1.00 3.77 N ATOM 117 CA GLN A 9 -32.700 3.031 5.184 1.00 4.01 C ATOM 118 C GLN A 9 -32.728 1.692 4.458 1.00 3.96 C ATOM 119 O GLN A 9 -31.944 0.798 4.767 1.00 4.33 O ATOM 120 CB GLN A 9 -33.737 3.082 6.320 1.00 4.00 C ATOM 121 CG GLN A 9 -35.050 2.369 6.038 1.00 4.36 C ATOM 122 CD GLN A 9 -35.971 2.350 7.239 1.00 4.96 C ATOM 123 OE1 GLN A 9 -36.763 3.266 7.444 1.00 5.38 O ATOM 124 NE2 GLN A 9 -35.870 1.306 8.048 1.00 5.37 N ATOM 0 H GLN A 9 -33.782 4.610 4.318 1.00 3.77 H new ATOM 0 HA GLN A 9 -31.723 3.154 5.651 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -33.292 2.647 7.215 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -33.952 4.126 6.546 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -35.554 2.860 5.206 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -34.844 1.345 5.727 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -35.199 0.565 7.843 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -36.463 1.243 8.876 1.00 5.37 H new ATOM 133 N LEU A 10 -33.617 1.563 3.470 1.00 3.56 N ATOM 134 CA LEU A 10 -33.634 0.367 2.624 1.00 3.52 C ATOM 135 C LEU A 10 -32.368 0.316 1.792 1.00 3.65 C ATOM 136 O LEU A 10 -31.742 -0.726 1.637 1.00 3.90 O ATOM 137 CB LEU A 10 -34.798 0.364 1.638 1.00 3.15 C ATOM 138 CG LEU A 10 -36.179 0.714 2.165 1.00 3.03 C ATOM 139 CD1 LEU A 10 -37.196 0.466 1.079 1.00 2.85 C ATOM 140 CD2 LEU A 10 -36.533 -0.077 3.416 1.00 3.23 C ATOM 0 H LEU A 10 -34.324 2.260 3.238 1.00 3.56 H new ATOM 0 HA LEU A 10 -33.725 -0.485 3.298 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -34.559 1.063 0.837 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -34.853 -0.628 1.189 1.00 3.15 H new ATOM 0 HG LEU A 10 -36.182 1.767 2.447 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -38.191 0.715 1.449 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -36.964 1.088 0.214 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -37.169 -0.584 0.788 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -37.529 0.207 3.756 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -36.517 -1.143 3.189 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -35.807 0.138 4.200 1.00 3.23 H new ATOM 152 N ALA A 11 -32.023 1.472 1.254 1.00 3.56 N ATOM 153 CA ALA A 11 -30.922 1.611 0.312 1.00 3.74 C ATOM 154 C ALA A 11 -29.585 1.213 0.926 1.00 4.22 C ATOM 155 O ALA A 11 -28.711 0.678 0.244 1.00 4.46 O ATOM 156 CB ALA A 11 -30.862 3.045 -0.192 1.00 3.71 C ATOM 0 H ALA A 11 -32.502 2.349 1.459 1.00 3.56 H new ATOM 0 HA ALA A 11 -31.108 0.932 -0.520 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -30.037 3.149 -0.897 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -31.799 3.295 -0.690 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -30.707 3.720 0.649 1.00 3.71 H new ATOM 162 N GLU A 12 -29.436 1.480 2.212 1.00 4.41 N ATOM 163 CA GLU A 12 -28.198 1.172 2.919 1.00 4.92 C ATOM 164 C GLU A 12 -28.158 -0.289 3.348 1.00 5.14 C ATOM 165 O GLU A 12 -27.104 -0.922 3.348 1.00 5.60 O ATOM 166 CB GLU A 12 -28.055 2.078 4.142 1.00 5.13 C ATOM 167 CG GLU A 12 -28.986 1.743 5.295 1.00 5.27 C ATOM 168 CD GLU A 12 -28.661 2.531 6.538 1.00 5.79 C ATOM 169 OE1 GLU A 12 -29.133 3.678 6.661 1.00 5.95 O ATOM 170 OE2 GLU A 12 -27.913 2.012 7.392 1.00 6.27 O ATOM 0 H GLU A 12 -30.157 1.910 2.792 1.00 4.41 H new ATOM 0 HA GLU A 12 -27.366 1.349 2.238 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -27.026 2.025 4.497 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -28.234 3.109 3.836 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -30.015 1.944 4.998 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -28.920 0.677 5.515 1.00 5.27 H new ATOM 177 N MET A 13 -29.313 -0.809 3.724 1.00 4.88 N ATOM 178 CA MET A 13 -29.406 -2.182 4.226 1.00 5.14 C ATOM 179 C MET A 13 -29.675 -3.191 3.109 1.00 4.89 C ATOM 180 O MET A 13 -29.791 -4.391 3.365 1.00 5.03 O ATOM 181 CB MET A 13 -30.500 -2.302 5.295 1.00 5.20 C ATOM 182 CG MET A 13 -31.912 -2.211 4.740 1.00 4.86 C ATOM 183 SD MET A 13 -33.180 -2.556 5.978 1.00 5.10 S ATOM 184 CE MET A 13 -32.821 -1.293 7.198 1.00 5.16 C ATOM 0 H MET A 13 -30.201 -0.309 3.694 1.00 4.88 H new ATOM 0 HA MET A 13 -28.437 -2.416 4.668 1.00 5.14 H new ATOM 0 HB2 MET A 13 -30.384 -3.253 5.815 1.00 5.20 H new ATOM 0 HB3 MET A 13 -30.359 -1.515 6.036 1.00 5.20 H new ATOM 0 HG2 MET A 13 -32.072 -1.213 4.332 1.00 4.86 H new ATOM 0 HG3 MET A 13 -32.018 -2.914 3.914 1.00 4.86 H new ATOM 0 HE1 MET A 13 -33.614 -1.273 7.945 1.00 5.16 H new ATOM 0 HE2 MET A 13 -31.871 -1.516 7.684 1.00 5.16 H new ATOM 0 HE3 MET A 13 -32.759 -0.321 6.708 1.00 5.16 H new ATOM 194 N GLY A 14 -29.772 -2.721 1.874 1.00 4.62 N ATOM 195 CA GLY A 14 -30.084 -3.623 0.784 1.00 4.51 C ATOM 196 C GLY A 14 -29.739 -3.070 -0.584 1.00 4.38 C ATOM 197 O GLY A 14 -28.619 -3.234 -1.060 1.00 4.75 O ATOM 0 H GLY A 14 -29.642 -1.745 1.609 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -29.546 -4.559 0.934 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -31.148 -3.859 0.813 1.00 4.51 H new ATOM 201 N PHE A 15 -30.707 -2.422 -1.216 1.00 4.09 N ATOM 202 CA PHE A 15 -30.566 -1.971 -2.597 1.00 4.04 C ATOM 203 C PHE A 15 -31.106 -0.552 -2.752 1.00 3.73 C ATOM 204 O PHE A 15 -31.860 -0.084 -1.899 1.00 3.48 O ATOM 205 CB PHE A 15 -31.328 -2.925 -3.529 1.00 4.10 C ATOM 206 CG PHE A 15 -30.796 -4.332 -3.536 1.00 4.27 C ATOM 207 CD1 PHE A 15 -29.668 -4.653 -4.271 1.00 4.60 C ATOM 208 CD2 PHE A 15 -31.425 -5.332 -2.810 1.00 4.36 C ATOM 209 CE1 PHE A 15 -29.176 -5.943 -4.282 1.00 5.01 C ATOM 210 CE2 PHE A 15 -30.939 -6.625 -2.819 1.00 4.78 C ATOM 211 CZ PHE A 15 -29.811 -6.931 -3.555 1.00 5.09 C ATOM 0 H PHE A 15 -31.606 -2.194 -0.792 1.00 4.09 H new ATOM 0 HA PHE A 15 -29.509 -1.971 -2.863 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -32.376 -2.946 -3.232 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -31.292 -2.529 -4.544 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -29.167 -3.886 -4.842 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -32.306 -5.097 -2.230 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -28.294 -6.180 -4.859 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -31.440 -7.395 -2.252 1.00 4.78 H new ATOM 0 HZ PHE A 15 -29.426 -7.940 -3.562 1.00 5.09 H new ATOM 221 N PRO A 16 -30.734 0.147 -3.846 1.00 3.83 N ATOM 222 CA PRO A 16 -31.211 1.512 -4.131 1.00 3.69 C ATOM 223 C PRO A 16 -32.701 1.531 -4.458 1.00 3.43 C ATOM 224 O PRO A 16 -33.100 1.640 -5.621 1.00 3.52 O ATOM 225 CB PRO A 16 -30.400 1.915 -5.364 1.00 4.05 C ATOM 226 CG PRO A 16 -30.109 0.621 -6.033 1.00 4.25 C ATOM 227 CD PRO A 16 -29.829 -0.337 -4.910 1.00 4.22 C ATOM 0 HA PRO A 16 -31.085 2.181 -3.280 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -30.965 2.583 -6.014 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -29.484 2.438 -5.088 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -30.954 0.288 -6.635 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -29.254 0.706 -6.703 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -30.047 -1.367 -5.191 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -28.784 -0.305 -4.600 1.00 4.22 H new ATOM 235 N LEU A 17 -33.521 1.427 -3.427 1.00 3.19 N ATOM 236 CA LEU A 17 -34.949 1.255 -3.604 1.00 3.02 C ATOM 237 C LEU A 17 -35.678 2.585 -3.787 1.00 3.04 C ATOM 238 O LEU A 17 -36.511 2.970 -2.971 1.00 2.93 O ATOM 239 CB LEU A 17 -35.522 0.451 -2.425 1.00 2.86 C ATOM 240 CG LEU A 17 -34.947 -0.965 -2.304 1.00 2.99 C ATOM 241 CD1 LEU A 17 -35.464 -1.660 -1.062 1.00 3.21 C ATOM 242 CD2 LEU A 17 -35.278 -1.784 -3.543 1.00 3.29 C ATOM 0 H LEU A 17 -33.218 1.459 -2.453 1.00 3.19 H new ATOM 0 HA LEU A 17 -35.111 0.696 -4.526 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -35.327 0.992 -1.499 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -36.605 0.385 -2.534 1.00 2.86 H new ATOM 0 HG LEU A 17 -33.864 -0.880 -2.219 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -35.039 -2.662 -1.002 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -35.174 -1.090 -0.179 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -36.551 -1.729 -1.109 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -34.862 -2.786 -3.439 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -36.360 -1.851 -3.657 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -34.850 -1.303 -4.422 1.00 3.29 H new ATOM 254 N GLU A 18 -35.369 3.294 -4.872 1.00 3.30 N ATOM 255 CA GLU A 18 -36.147 4.459 -5.258 1.00 3.51 C ATOM 256 C GLU A 18 -37.613 4.079 -5.416 1.00 3.51 C ATOM 257 O GLU A 18 -38.498 4.934 -5.399 1.00 3.70 O ATOM 258 CB GLU A 18 -35.645 5.064 -6.555 1.00 3.90 C ATOM 259 CG GLU A 18 -36.013 6.526 -6.668 1.00 4.24 C ATOM 260 CD GLU A 18 -36.002 7.040 -8.085 1.00 4.90 C ATOM 261 OE1 GLU A 18 -36.719 6.466 -8.930 1.00 5.48 O ATOM 262 OE2 GLU A 18 -35.256 8.000 -8.365 1.00 5.09 O ATOM 0 H GLU A 18 -34.589 3.080 -5.493 1.00 3.30 H new ATOM 0 HA GLU A 18 -36.037 5.202 -4.468 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -34.562 4.956 -6.612 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -36.065 4.517 -7.399 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -37.005 6.677 -6.243 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -35.317 7.115 -6.071 1.00 4.24 H new ATOM 269 N ALA A 19 -37.854 2.784 -5.582 1.00 3.41 N ATOM 270 CA ALA A 19 -39.198 2.240 -5.576 1.00 3.49 C ATOM 271 C ALA A 19 -39.877 2.586 -4.261 1.00 3.32 C ATOM 272 O ALA A 19 -41.079 2.808 -4.206 1.00 3.54 O ATOM 273 CB ALA A 19 -39.148 0.738 -5.764 1.00 3.45 C ATOM 0 H ALA A 19 -37.123 2.087 -5.724 1.00 3.41 H new ATOM 0 HA ALA A 19 -39.770 2.673 -6.397 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -40.161 0.337 -5.758 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -38.671 0.506 -6.716 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -38.575 0.289 -4.953 1.00 3.45 H new ATOM 279 N CYS A 20 -39.072 2.638 -3.212 1.00 3.03 N ATOM 280 CA CYS A 20 -39.525 3.082 -1.902 1.00 2.94 C ATOM 281 C CYS A 20 -39.788 4.571 -1.936 1.00 3.13 C ATOM 282 O CYS A 20 -40.806 5.029 -1.450 1.00 3.27 O ATOM 283 CB CYS A 20 -38.480 2.808 -0.827 1.00 2.73 C ATOM 284 SG CYS A 20 -39.075 3.098 0.858 1.00 2.75 S ATOM 0 H CYS A 20 -38.087 2.374 -3.244 1.00 3.03 H new ATOM 0 HA CYS A 20 -40.434 2.530 -1.662 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -38.147 1.774 -0.912 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -37.610 3.439 -1.009 1.00 2.73 H new ATOM 0 HG CYS A 20 -38.489 4.149 1.350 1.00 2.75 H new ATOM 290 N ARG A 21 -38.854 5.322 -2.509 1.00 3.24 N ATOM 291 CA ARG A 21 -39.020 6.777 -2.617 1.00 3.55 C ATOM 292 C ARG A 21 -40.357 7.131 -3.279 1.00 3.89 C ATOM 293 O ARG A 21 -41.153 7.902 -2.731 1.00 4.07 O ATOM 294 CB ARG A 21 -37.848 7.414 -3.378 1.00 3.75 C ATOM 295 CG ARG A 21 -38.092 8.870 -3.751 1.00 4.17 C ATOM 296 CD ARG A 21 -36.799 9.665 -3.851 1.00 4.74 C ATOM 297 NE ARG A 21 -35.997 9.300 -5.018 1.00 5.08 N ATOM 298 CZ ARG A 21 -34.702 9.594 -5.157 1.00 5.56 C ATOM 299 NH1 ARG A 21 -34.049 10.215 -4.183 1.00 5.80 N ATOM 300 NH2 ARG A 21 -34.060 9.258 -6.273 1.00 6.10 N ATOM 0 H ARG A 21 -37.985 4.960 -2.902 1.00 3.24 H new ATOM 0 HA ARG A 21 -39.025 7.186 -1.606 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -36.948 7.349 -2.766 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -37.659 6.841 -4.285 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -38.618 8.915 -4.704 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -38.742 9.330 -3.006 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -37.034 10.728 -3.896 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -36.210 9.507 -2.948 1.00 4.74 H new ATOM 0 HE ARG A 21 -36.455 8.789 -5.773 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -34.536 10.470 -3.324 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -33.060 10.438 -4.293 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -34.557 8.776 -7.022 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -33.071 9.482 -6.380 1.00 6.10 H new ATOM 314 N LYS A 22 -40.619 6.530 -4.433 1.00 4.03 N ATOM 315 CA LYS A 22 -41.865 6.773 -5.150 1.00 4.43 C ATOM 316 C LYS A 22 -43.045 6.133 -4.410 1.00 4.38 C ATOM 317 O LYS A 22 -44.192 6.552 -4.563 1.00 4.73 O ATOM 318 CB LYS A 22 -41.760 6.260 -6.594 1.00 4.63 C ATOM 319 CG LYS A 22 -41.546 4.761 -6.710 1.00 4.60 C ATOM 320 CD LYS A 22 -41.176 4.339 -8.129 1.00 4.73 C ATOM 321 CE LYS A 22 -39.696 4.563 -8.436 1.00 4.49 C ATOM 322 NZ LYS A 22 -39.351 5.999 -8.628 1.00 4.77 N ATOM 0 H LYS A 22 -39.988 5.873 -4.891 1.00 4.03 H new ATOM 0 HA LYS A 22 -42.044 7.847 -5.190 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -42.671 6.528 -7.130 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -40.936 6.772 -7.090 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -40.756 4.454 -6.024 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -42.454 4.241 -6.403 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -41.417 3.285 -8.266 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -41.781 4.900 -8.841 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -39.096 4.157 -7.621 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -39.429 4.008 -9.335 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -38.464 6.074 -9.166 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -40.115 6.473 -9.151 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -39.233 6.455 -7.701 1.00 4.77 H new ATOM 336 N ALA A 23 -42.754 5.117 -3.598 1.00 4.00 N ATOM 337 CA ALA A 23 -43.763 4.482 -2.757 1.00 4.00 C ATOM 338 C ALA A 23 -44.141 5.384 -1.594 1.00 4.05 C ATOM 339 O ALA A 23 -45.301 5.471 -1.220 1.00 4.34 O ATOM 340 CB ALA A 23 -43.256 3.157 -2.225 1.00 3.66 C ATOM 0 H ALA A 23 -41.821 4.715 -3.506 1.00 4.00 H new ATOM 0 HA ALA A 23 -44.647 4.307 -3.371 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -44.022 2.699 -1.600 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -43.024 2.495 -3.059 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -42.356 3.323 -1.633 1.00 3.66 H new ATOM 346 N VAL A 24 -43.145 6.034 -1.008 1.00 3.82 N ATOM 347 CA VAL A 24 -43.368 6.989 0.072 1.00 3.90 C ATOM 348 C VAL A 24 -44.326 8.083 -0.382 1.00 4.37 C ATOM 349 O VAL A 24 -45.231 8.476 0.353 1.00 4.58 O ATOM 350 CB VAL A 24 -42.040 7.631 0.558 1.00 3.69 C ATOM 351 CG1 VAL A 24 -42.295 8.724 1.583 1.00 3.86 C ATOM 352 CG2 VAL A 24 -41.110 6.580 1.142 1.00 3.33 C ATOM 0 H VAL A 24 -42.165 5.916 -1.265 1.00 3.82 H new ATOM 0 HA VAL A 24 -43.804 6.440 0.907 1.00 3.90 H new ATOM 0 HB VAL A 24 -41.561 8.081 -0.311 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -41.345 9.152 1.902 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -42.913 9.504 1.138 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -42.810 8.301 2.445 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -40.187 7.055 1.475 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -41.595 6.096 1.990 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -40.880 5.834 0.381 1.00 3.33 H new ATOM 362 N TYR A 25 -44.128 8.561 -1.604 1.00 4.58 N ATOM 363 CA TYR A 25 -45.044 9.526 -2.197 1.00 5.10 C ATOM 364 C TYR A 25 -46.423 8.896 -2.410 1.00 5.36 C ATOM 365 O TYR A 25 -47.448 9.510 -2.118 1.00 5.71 O ATOM 366 CB TYR A 25 -44.483 10.050 -3.526 1.00 5.32 C ATOM 367 CG TYR A 25 -45.415 10.998 -4.253 1.00 5.87 C ATOM 368 CD1 TYR A 25 -45.522 12.330 -3.872 1.00 6.18 C ATOM 369 CD2 TYR A 25 -46.188 10.559 -5.321 1.00 6.12 C ATOM 370 CE1 TYR A 25 -46.373 13.198 -4.533 1.00 6.71 C ATOM 371 CE2 TYR A 25 -47.039 11.420 -5.989 1.00 6.65 C ATOM 372 CZ TYR A 25 -47.125 12.743 -5.585 1.00 6.94 C ATOM 373 OH TYR A 25 -47.977 13.594 -6.254 1.00 7.48 O ATOM 0 H TYR A 25 -43.344 8.297 -2.202 1.00 4.58 H new ATOM 0 HA TYR A 25 -45.151 10.366 -1.511 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -43.538 10.559 -3.335 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -44.263 9.203 -4.176 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -44.930 12.694 -3.045 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -46.123 9.528 -5.635 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -46.444 14.230 -4.221 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -47.632 11.065 -6.819 1.00 6.65 H new ATOM 0 HH TYR A 25 -48.430 13.105 -6.972 1.00 7.48 H new ATOM 383 N PHE A 26 -46.437 7.660 -2.902 1.00 5.24 N ATOM 384 CA PHE A 26 -47.684 6.953 -3.191 1.00 5.55 C ATOM 385 C PHE A 26 -48.460 6.627 -1.915 1.00 5.56 C ATOM 386 O PHE A 26 -49.680 6.768 -1.874 1.00 5.98 O ATOM 387 CB PHE A 26 -47.382 5.666 -3.967 1.00 5.42 C ATOM 388 CG PHE A 26 -48.610 4.905 -4.383 1.00 5.81 C ATOM 389 CD1 PHE A 26 -49.404 5.356 -5.429 1.00 6.32 C ATOM 390 CD2 PHE A 26 -48.972 3.740 -3.727 1.00 5.81 C ATOM 391 CE1 PHE A 26 -50.535 4.658 -5.810 1.00 6.79 C ATOM 392 CE2 PHE A 26 -50.101 3.040 -4.103 1.00 6.37 C ATOM 393 CZ PHE A 26 -50.877 3.493 -5.158 1.00 6.84 C ATOM 0 H PHE A 26 -45.595 7.124 -3.110 1.00 5.24 H new ATOM 0 HA PHE A 26 -48.309 7.609 -3.797 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -46.803 5.916 -4.856 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -46.757 5.020 -3.351 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -49.135 6.262 -5.951 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -48.364 3.375 -2.912 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -51.150 5.026 -6.618 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -50.379 2.140 -3.575 1.00 6.37 H new ATOM 0 HZ PHE A 26 -51.748 2.934 -5.468 1.00 6.84 H new ATOM 403 N THR A 27 -47.746 6.205 -0.875 1.00 5.14 N ATOM 404 CA THR A 27 -48.368 5.834 0.395 1.00 5.20 C ATOM 405 C THR A 27 -49.022 7.037 1.068 1.00 5.47 C ATOM 406 O THR A 27 -49.918 6.889 1.897 1.00 5.71 O ATOM 407 CB THR A 27 -47.353 5.212 1.378 1.00 4.75 C ATOM 408 OG1 THR A 27 -46.192 6.044 1.482 1.00 4.44 O ATOM 409 CG2 THR A 27 -46.938 3.821 0.931 1.00 4.59 C ATOM 0 H THR A 27 -46.730 6.111 -0.886 1.00 5.14 H new ATOM 0 HA THR A 27 -49.128 5.091 0.152 1.00 5.20 H new ATOM 0 HB THR A 27 -47.837 5.135 2.352 1.00 4.75 H new ATOM 0 HG1 THR A 27 -46.347 6.883 1.000 1.00 4.44 H new ATOM 0 HG21 THR A 27 -46.223 3.408 1.643 1.00 4.59 H new ATOM 0 HG22 THR A 27 -47.816 3.177 0.884 1.00 4.59 H new ATOM 0 HG23 THR A 27 -46.477 3.878 -0.055 1.00 4.59 H new ATOM 417 N GLY A 28 -48.565 8.230 0.703 1.00 5.48 N ATOM 418 CA GLY A 28 -49.064 9.437 1.324 1.00 5.75 C ATOM 419 C GLY A 28 -48.167 9.894 2.454 1.00 5.44 C ATOM 420 O GLY A 28 -48.620 10.574 3.375 1.00 5.64 O ATOM 0 H GLY A 28 -47.856 8.380 -0.014 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -49.140 10.227 0.577 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -50.070 9.262 1.705 1.00 5.75 H new ATOM 424 N ASN A 29 -46.892 9.501 2.378 1.00 5.01 N ATOM 425 CA ASN A 29 -45.885 9.870 3.376 1.00 4.73 C ATOM 426 C ASN A 29 -46.279 9.340 4.749 1.00 4.74 C ATOM 427 O ASN A 29 -46.214 10.051 5.753 1.00 4.97 O ATOM 428 CB ASN A 29 -45.692 11.396 3.429 1.00 4.95 C ATOM 429 CG ASN A 29 -45.284 12.001 2.091 1.00 4.86 C ATOM 430 OD1 ASN A 29 -44.578 11.240 1.269 1.00 4.99 O flip ATOM 431 ND2 ASN A 29 -45.595 13.155 1.802 1.00 5.06 N flip ATOM 0 H ASN A 29 -46.530 8.918 1.623 1.00 5.01 H new ATOM 0 HA ASN A 29 -44.938 9.418 3.082 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -46.620 11.861 3.762 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -44.932 11.633 4.173 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -46.140 13.716 2.457 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -45.308 13.552 0.907 1.00 5.06 H new ATOM 438 N MET A 30 -46.666 8.074 4.783 1.00 4.58 N ATOM 439 CA MET A 30 -47.217 7.467 5.994 1.00 4.71 C ATOM 440 C MET A 30 -46.140 7.140 7.025 1.00 4.46 C ATOM 441 O MET A 30 -46.434 7.021 8.214 1.00 4.65 O ATOM 442 CB MET A 30 -48.005 6.206 5.642 1.00 4.89 C ATOM 443 CG MET A 30 -49.322 6.491 4.942 1.00 5.35 C ATOM 444 SD MET A 30 -50.407 7.562 5.908 1.00 5.80 S ATOM 445 CE MET A 30 -51.808 7.708 4.798 1.00 6.28 C ATOM 0 H MET A 30 -46.610 7.442 3.985 1.00 4.58 H new ATOM 0 HA MET A 30 -47.884 8.202 6.445 1.00 4.71 H new ATOM 0 HB2 MET A 30 -47.392 5.571 5.002 1.00 4.89 H new ATOM 0 HB3 MET A 30 -48.202 5.643 6.555 1.00 4.89 H new ATOM 0 HG2 MET A 30 -49.122 6.958 3.977 1.00 5.35 H new ATOM 0 HG3 MET A 30 -49.833 5.549 4.741 1.00 5.35 H new ATOM 0 HE1 MET A 30 -52.568 8.342 5.253 1.00 6.28 H new ATOM 0 HE2 MET A 30 -51.482 8.151 3.857 1.00 6.28 H new ATOM 0 HE3 MET A 30 -52.226 6.720 4.608 1.00 6.28 H new ATOM 455 N GLY A 31 -44.903 6.977 6.576 1.00 4.17 N ATOM 456 CA GLY A 31 -43.819 6.717 7.504 1.00 4.03 C ATOM 457 C GLY A 31 -42.859 5.658 7.008 1.00 3.77 C ATOM 458 O GLY A 31 -43.086 5.047 5.960 1.00 3.68 O ATOM 0 H GLY A 31 -44.631 7.020 5.594 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -43.271 7.642 7.682 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -44.235 6.403 8.461 1.00 4.03 H new ATOM 462 N ALA A 32 -41.801 5.428 7.781 1.00 3.73 N ATOM 463 CA ALA A 32 -40.744 4.493 7.408 1.00 3.58 C ATOM 464 C ALA A 32 -41.263 3.066 7.314 1.00 3.72 C ATOM 465 O ALA A 32 -41.181 2.441 6.260 1.00 3.56 O ATOM 466 CB ALA A 32 -39.608 4.564 8.416 1.00 3.73 C ATOM 0 H ALA A 32 -41.653 5.883 8.682 1.00 3.73 H new ATOM 0 HA ALA A 32 -40.378 4.781 6.423 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -38.824 3.863 8.130 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -39.202 5.575 8.436 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -39.983 4.305 9.406 1.00 3.73 H new ATOM 472 N GLU A 33 -41.806 2.566 8.421 1.00 4.10 N ATOM 473 CA GLU A 33 -42.311 1.197 8.490 1.00 4.38 C ATOM 474 C GLU A 33 -43.337 0.927 7.395 1.00 4.28 C ATOM 475 O GLU A 33 -43.399 -0.170 6.843 1.00 4.30 O ATOM 476 CB GLU A 33 -42.938 0.938 9.858 1.00 4.91 C ATOM 477 CG GLU A 33 -41.950 1.040 11.009 1.00 5.11 C ATOM 478 CD GLU A 33 -40.839 0.017 10.911 1.00 5.12 C ATOM 479 OE1 GLU A 33 -41.058 -1.141 11.318 1.00 5.46 O ATOM 480 OE2 GLU A 33 -39.746 0.361 10.425 1.00 5.09 O ATOM 0 H GLU A 33 -41.908 3.093 9.289 1.00 4.10 H new ATOM 0 HA GLU A 33 -41.468 0.522 8.341 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -43.746 1.652 10.019 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -43.385 -0.056 9.861 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -41.518 2.041 11.025 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -42.480 0.907 11.952 1.00 5.11 H new ATOM 487 N VAL A 34 -44.125 1.942 7.073 1.00 4.27 N ATOM 488 CA VAL A 34 -45.166 1.813 6.067 1.00 4.34 C ATOM 489 C VAL A 34 -44.568 1.594 4.679 1.00 4.01 C ATOM 490 O VAL A 34 -44.995 0.704 3.945 1.00 4.11 O ATOM 491 CB VAL A 34 -46.084 3.053 6.058 1.00 4.54 C ATOM 492 CG1 VAL A 34 -47.187 2.905 5.021 1.00 4.83 C ATOM 493 CG2 VAL A 34 -46.676 3.284 7.442 1.00 4.88 C ATOM 0 H VAL A 34 -44.062 2.868 7.497 1.00 4.27 H new ATOM 0 HA VAL A 34 -45.764 0.939 6.327 1.00 4.34 H new ATOM 0 HB VAL A 34 -45.483 3.921 5.788 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -47.820 3.792 5.034 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -46.744 2.791 4.032 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -47.789 2.026 5.253 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -47.321 4.162 7.420 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -47.260 2.412 7.738 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -45.871 3.443 8.160 1.00 4.88 H new ATOM 503 N ALA A 35 -43.568 2.392 4.325 1.00 3.68 N ATOM 504 CA ALA A 35 -42.930 2.261 3.021 1.00 3.42 C ATOM 505 C ALA A 35 -41.973 1.076 2.995 1.00 3.28 C ATOM 506 O ALA A 35 -41.769 0.456 1.949 1.00 3.21 O ATOM 507 CB ALA A 35 -42.210 3.535 2.634 1.00 3.22 C ATOM 0 H ALA A 35 -43.184 3.130 4.916 1.00 3.68 H new ATOM 0 HA ALA A 35 -43.716 2.080 2.288 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -41.744 3.407 1.657 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -42.924 4.358 2.591 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -41.443 3.759 3.375 1.00 3.22 H new ATOM 513 N PHE A 36 -41.379 0.768 4.143 1.00 3.36 N ATOM 514 CA PHE A 36 -40.592 -0.450 4.294 1.00 3.45 C ATOM 515 C PHE A 36 -41.477 -1.653 3.987 1.00 3.68 C ATOM 516 O PHE A 36 -41.084 -2.564 3.262 1.00 3.69 O ATOM 517 CB PHE A 36 -40.020 -0.543 5.716 1.00 3.70 C ATOM 518 CG PHE A 36 -39.409 -1.876 6.046 1.00 3.98 C ATOM 519 CD1 PHE A 36 -38.141 -2.201 5.593 1.00 3.93 C ATOM 520 CD2 PHE A 36 -40.105 -2.802 6.802 1.00 4.38 C ATOM 521 CE1 PHE A 36 -37.577 -3.427 5.891 1.00 4.29 C ATOM 522 CE2 PHE A 36 -39.548 -4.030 7.103 1.00 4.71 C ATOM 523 CZ PHE A 36 -38.278 -4.336 6.664 1.00 4.66 C ATOM 0 H PHE A 36 -41.428 1.345 4.983 1.00 3.36 H new ATOM 0 HA PHE A 36 -39.754 -0.434 3.598 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -39.265 0.232 5.844 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -40.816 -0.333 6.431 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -37.587 -1.488 5.000 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -41.095 -2.562 7.161 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -36.593 -3.675 5.522 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -40.108 -4.750 7.682 1.00 4.71 H new ATOM 0 HZ PHE A 36 -37.830 -5.284 6.923 1.00 4.66 H new ATOM 533 N ASN A 37 -42.692 -1.625 4.527 1.00 3.94 N ATOM 534 CA ASN A 37 -43.683 -2.658 4.255 1.00 4.25 C ATOM 535 C ASN A 37 -44.066 -2.661 2.778 1.00 4.16 C ATOM 536 O ASN A 37 -44.271 -3.718 2.180 1.00 4.35 O ATOM 537 CB ASN A 37 -44.936 -2.447 5.118 1.00 4.57 C ATOM 538 CG ASN A 37 -46.050 -3.436 4.799 1.00 5.25 C ATOM 539 OD1 ASN A 37 -46.106 -4.530 5.362 1.00 5.69 O ATOM 540 ND2 ASN A 37 -46.953 -3.046 3.911 1.00 5.66 N ATOM 0 H ASN A 37 -43.014 -0.892 5.159 1.00 3.94 H new ATOM 0 HA ASN A 37 -43.241 -3.622 4.506 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -44.666 -2.539 6.170 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -45.305 -1.432 4.971 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -47.731 -3.660 3.671 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -46.870 -2.131 3.467 1.00 5.66 H new ATOM 547 N TRP A 38 -44.141 -1.477 2.181 1.00 3.97 N ATOM 548 CA TRP A 38 -44.536 -1.364 0.785 1.00 4.01 C ATOM 549 C TRP A 38 -43.473 -1.981 -0.121 1.00 3.81 C ATOM 550 O TRP A 38 -43.787 -2.571 -1.160 1.00 4.02 O ATOM 551 CB TRP A 38 -44.784 0.102 0.396 1.00 3.96 C ATOM 552 CG TRP A 38 -45.714 0.231 -0.774 1.00 4.29 C ATOM 553 CD1 TRP A 38 -45.384 0.549 -2.060 1.00 4.58 C ATOM 554 CD2 TRP A 38 -47.131 0.021 -0.762 1.00 4.67 C ATOM 555 NE1 TRP A 38 -46.512 0.561 -2.844 1.00 4.88 N ATOM 556 CE2 TRP A 38 -47.596 0.239 -2.071 1.00 4.93 C ATOM 557 CE3 TRP A 38 -48.052 -0.325 0.229 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -48.941 0.118 -2.413 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -49.387 -0.445 -0.111 1.00 5.81 C ATOM 560 CH2 TRP A 38 -49.821 -0.224 -1.423 1.00 5.87 C ATOM 0 H TRP A 38 -43.935 -0.589 2.639 1.00 3.97 H new ATOM 0 HA TRP A 38 -45.470 -1.911 0.654 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -45.201 0.636 1.249 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -43.833 0.578 0.156 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -44.384 0.760 -2.409 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -46.538 0.775 -3.841 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -47.727 -0.496 1.245 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -49.277 0.288 -3.425 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -50.106 -0.714 0.648 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -50.870 -0.325 -1.658 1.00 5.87 H new ATOM 571 N ILE A 39 -42.216 -1.865 0.280 1.00 3.49 N ATOM 572 CA ILE A 39 -41.128 -2.398 -0.515 1.00 3.34 C ATOM 573 C ILE A 39 -41.025 -3.909 -0.363 1.00 3.60 C ATOM 574 O ILE A 39 -40.773 -4.616 -1.330 1.00 3.69 O ATOM 575 CB ILE A 39 -39.772 -1.725 -0.175 1.00 3.04 C ATOM 576 CG1 ILE A 39 -38.921 -1.615 -1.438 1.00 2.98 C ATOM 577 CG2 ILE A 39 -39.002 -2.494 0.901 1.00 3.21 C ATOM 578 CD1 ILE A 39 -39.582 -0.824 -2.546 1.00 3.10 C ATOM 0 H ILE A 39 -41.929 -1.409 1.146 1.00 3.49 H new ATOM 0 HA ILE A 39 -41.357 -2.169 -1.556 1.00 3.34 H new ATOM 0 HB ILE A 39 -39.986 -0.732 0.219 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -37.970 -1.146 -1.186 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -38.696 -2.617 -1.803 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -38.060 -1.986 1.107 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -39.597 -2.538 1.813 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -38.800 -3.506 0.551 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -38.920 -0.787 -3.411 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -40.520 -1.304 -2.826 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -39.783 0.190 -2.200 1.00 3.10 H new ATOM 590 N ILE A 40 -41.243 -4.410 0.844 1.00 3.82 N ATOM 591 CA ILE A 40 -41.121 -5.835 1.088 1.00 4.18 C ATOM 592 C ILE A 40 -42.266 -6.599 0.434 1.00 4.46 C ATOM 593 O ILE A 40 -42.114 -7.759 0.059 1.00 4.72 O ATOM 594 CB ILE A 40 -40.994 -6.158 2.595 1.00 4.46 C ATOM 595 CG1 ILE A 40 -42.205 -5.682 3.400 1.00 4.61 C ATOM 596 CG2 ILE A 40 -39.720 -5.529 3.137 1.00 4.32 C ATOM 597 CD1 ILE A 40 -43.345 -6.675 3.425 1.00 5.04 C ATOM 0 H ILE A 40 -41.502 -3.856 1.660 1.00 3.82 H new ATOM 0 HA ILE A 40 -40.193 -6.170 0.624 1.00 4.18 H new ATOM 0 HB ILE A 40 -40.952 -7.242 2.702 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -41.892 -5.476 4.423 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -42.563 -4.742 2.980 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -39.626 -5.754 4.199 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -38.859 -5.933 2.603 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -39.760 -4.449 2.997 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -44.168 -6.270 4.014 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -43.686 -6.864 2.407 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -43.004 -7.609 3.872 1.00 5.04 H new ATOM 609 N VAL A 41 -43.409 -5.942 0.284 1.00 4.47 N ATOM 610 CA VAL A 41 -44.515 -6.530 -0.450 1.00 4.80 C ATOM 611 C VAL A 41 -44.298 -6.378 -1.961 1.00 4.72 C ATOM 612 O VAL A 41 -44.795 -7.177 -2.750 1.00 5.04 O ATOM 613 CB VAL A 41 -45.880 -5.928 -0.029 1.00 4.99 C ATOM 614 CG1 VAL A 41 -46.060 -4.514 -0.543 1.00 5.34 C ATOM 615 CG2 VAL A 41 -47.026 -6.816 -0.488 1.00 5.37 C ATOM 0 H VAL A 41 -43.591 -5.011 0.658 1.00 4.47 H new ATOM 0 HA VAL A 41 -44.542 -7.591 -0.203 1.00 4.80 H new ATOM 0 HB VAL A 41 -45.890 -5.881 1.060 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -47.030 -4.132 -0.224 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -45.270 -3.878 -0.143 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -46.010 -4.513 -1.632 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -47.974 -6.374 -0.182 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -47.003 -6.908 -1.574 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -46.924 -7.803 -0.038 1.00 5.37 H new ATOM 625 N HIS A 42 -43.532 -5.355 -2.365 1.00 4.36 N ATOM 626 CA HIS A 42 -43.234 -5.144 -3.783 1.00 4.38 C ATOM 627 C HIS A 42 -41.852 -5.664 -4.163 1.00 4.19 C ATOM 628 O HIS A 42 -41.371 -5.401 -5.262 1.00 4.21 O ATOM 629 CB HIS A 42 -43.354 -3.664 -4.151 1.00 4.29 C ATOM 630 CG HIS A 42 -44.722 -3.276 -4.618 1.00 4.59 C ATOM 631 ND1 HIS A 42 -45.593 -2.514 -3.869 1.00 4.88 N ATOM 632 CD2 HIS A 42 -45.363 -3.541 -5.781 1.00 5.00 C ATOM 633 CE1 HIS A 42 -46.712 -2.332 -4.551 1.00 5.32 C ATOM 634 NE2 HIS A 42 -46.592 -2.942 -5.712 1.00 5.35 N ATOM 0 H HIS A 42 -43.113 -4.670 -1.736 1.00 4.36 H new ATOM 0 HA HIS A 42 -43.972 -5.714 -4.348 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -43.089 -3.059 -3.284 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -42.632 -3.432 -4.934 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -44.977 -4.117 -6.609 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -47.576 -1.778 -4.214 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -47.302 -2.965 -6.444 1.00 5.35 H new ATOM 643 N MET A 43 -41.213 -6.406 -3.258 1.00 4.14 N ATOM 644 CA MET A 43 -39.930 -7.047 -3.558 1.00 4.14 C ATOM 645 C MET A 43 -40.098 -8.054 -4.692 1.00 4.46 C ATOM 646 O MET A 43 -39.129 -8.442 -5.343 1.00 4.53 O ATOM 647 CB MET A 43 -39.322 -7.732 -2.329 1.00 4.26 C ATOM 648 CG MET A 43 -40.040 -8.996 -1.892 1.00 4.64 C ATOM 649 SD MET A 43 -39.090 -9.936 -0.681 1.00 4.92 S ATOM 650 CE MET A 43 -38.847 -8.709 0.602 1.00 5.73 C ATOM 0 H MET A 43 -41.560 -6.578 -2.315 1.00 4.14 H new ATOM 0 HA MET A 43 -39.239 -6.262 -3.867 1.00 4.14 H new ATOM 0 HB2 MET A 43 -38.281 -7.976 -2.543 1.00 4.26 H new ATOM 0 HB3 MET A 43 -39.320 -7.025 -1.499 1.00 4.26 H new ATOM 0 HG2 MET A 43 -41.008 -8.733 -1.466 1.00 4.64 H new ATOM 0 HG3 MET A 43 -40.234 -9.621 -2.764 1.00 4.64 H new ATOM 0 HE1 MET A 43 -38.352 -9.170 1.457 1.00 5.73 H new ATOM 0 HE2 MET A 43 -38.228 -7.898 0.218 1.00 5.73 H new ATOM 0 HE3 MET A 43 -39.813 -8.312 0.913 1.00 5.73 H new ATOM 1066 N GLN A 76 25.024 -3.033 0.265 1.00 5.05 N ATOM 1067 CA GLN A 76 26.121 -2.377 0.940 1.00 4.93 C ATOM 1068 C GLN A 76 27.093 -3.423 1.483 1.00 4.67 C ATOM 1069 O GLN A 76 26.666 -4.486 1.930 1.00 4.88 O ATOM 1070 CB GLN A 76 25.567 -1.522 2.083 1.00 5.47 C ATOM 1071 CG GLN A 76 26.528 -0.454 2.572 1.00 5.74 C ATOM 1072 CD GLN A 76 25.951 0.392 3.688 1.00 6.61 C ATOM 1073 OE1 GLN A 76 25.183 -0.088 4.523 1.00 7.14 O ATOM 1074 NE2 GLN A 76 26.291 1.667 3.691 1.00 7.04 N ATOM 0 HA GLN A 76 26.656 -1.736 0.239 1.00 4.93 H new ATOM 0 HB2 GLN A 76 24.645 -1.044 1.752 1.00 5.47 H new ATOM 0 HB3 GLN A 76 25.307 -2.173 2.918 1.00 5.47 H new ATOM 0 HG2 GLN A 76 27.445 -0.929 2.920 1.00 5.74 H new ATOM 0 HG3 GLN A 76 26.801 0.192 1.737 1.00 5.74 H new ATOM 0 HE21 GLN A 76 26.930 2.026 2.982 1.00 7.04 H new ATOM 0 HE22 GLN A 76 25.915 2.294 4.402 1.00 7.04 H new ATOM 1083 N PRO A 77 28.407 -3.143 1.422 1.00 4.45 N ATOM 1084 CA PRO A 77 29.450 -4.021 1.974 1.00 4.52 C ATOM 1085 C PRO A 77 29.181 -4.422 3.423 1.00 5.11 C ATOM 1086 O PRO A 77 28.405 -3.772 4.123 1.00 5.41 O ATOM 1087 CB PRO A 77 30.694 -3.146 1.911 1.00 4.27 C ATOM 1088 CG PRO A 77 30.458 -2.262 0.760 1.00 4.17 C ATOM 1089 CD PRO A 77 28.991 -1.950 0.787 1.00 4.44 C ATOM 0 HA PRO A 77 29.520 -4.960 1.425 1.00 4.52 H new ATOM 0 HB2 PRO A 77 30.826 -2.575 2.830 1.00 4.27 H new ATOM 0 HB3 PRO A 77 31.595 -3.744 1.775 1.00 4.27 H new ATOM 0 HG2 PRO A 77 31.054 -1.352 0.835 1.00 4.17 H new ATOM 0 HG3 PRO A 77 30.738 -2.750 -0.173 1.00 4.17 H new ATOM 0 HD2 PRO A 77 28.782 -1.046 1.359 1.00 4.44 H new ATOM 0 HD3 PRO A 77 28.594 -1.792 -0.216 1.00 4.44 H new ATOM 1097 N PRO A 78 29.861 -5.479 3.897 1.00 5.63 N ATOM 1098 CA PRO A 78 29.647 -6.015 5.239 1.00 6.52 C ATOM 1099 C PRO A 78 30.000 -4.995 6.310 1.00 6.80 C ATOM 1100 O PRO A 78 31.164 -4.631 6.483 1.00 6.74 O ATOM 1101 CB PRO A 78 30.577 -7.228 5.296 1.00 7.14 C ATOM 1102 CG PRO A 78 31.613 -6.951 4.277 1.00 6.55 C ATOM 1103 CD PRO A 78 30.919 -6.208 3.183 1.00 5.69 C ATOM 0 HA PRO A 78 28.605 -6.273 5.426 1.00 6.52 H new ATOM 0 HB2 PRO A 78 31.016 -7.345 6.287 1.00 7.14 H new ATOM 0 HB3 PRO A 78 30.040 -8.150 5.075 1.00 7.14 H new ATOM 0 HG2 PRO A 78 32.426 -6.359 4.697 1.00 6.55 H new ATOM 0 HG3 PRO A 78 32.052 -7.876 3.904 1.00 6.55 H new ATOM 0 HD2 PRO A 78 31.596 -5.530 2.663 1.00 5.69 H new ATOM 0 HD3 PRO A 78 30.508 -6.884 2.434 1.00 5.69 H new ATOM 1111 N GLU A 79 28.976 -4.537 7.012 1.00 7.24 N ATOM 1112 CA GLU A 79 29.103 -3.469 7.989 1.00 7.85 C ATOM 1113 C GLU A 79 30.092 -3.818 9.095 1.00 8.62 C ATOM 1114 O GLU A 79 30.696 -2.927 9.685 1.00 8.98 O ATOM 1115 CB GLU A 79 27.734 -3.173 8.593 1.00 8.51 C ATOM 1116 CG GLU A 79 27.172 -4.331 9.399 1.00 9.18 C ATOM 1117 CD GLU A 79 25.679 -4.237 9.618 1.00 9.68 C ATOM 1118 OE1 GLU A 79 25.235 -3.267 10.271 1.00 9.76 O ATOM 1119 OE2 GLU A 79 24.943 -5.113 9.118 1.00 10.13 O ATOM 0 H GLU A 79 28.027 -4.899 6.919 1.00 7.24 H new ATOM 0 HA GLU A 79 29.488 -2.588 7.475 1.00 7.85 H new ATOM 0 HB2 GLU A 79 27.809 -2.295 9.235 1.00 8.51 H new ATOM 0 HB3 GLU A 79 27.037 -2.924 7.793 1.00 8.51 H new ATOM 0 HG2 GLU A 79 27.399 -5.266 8.886 1.00 9.18 H new ATOM 0 HG3 GLU A 79 27.673 -4.368 10.366 1.00 9.18 H new ATOM 1126 N GLU A 80 30.266 -5.101 9.379 1.00 9.00 N ATOM 1127 CA GLU A 80 31.218 -5.504 10.393 1.00 9.80 C ATOM 1128 C GLU A 80 32.616 -5.249 9.871 1.00 9.30 C ATOM 1129 O GLU A 80 33.476 -4.724 10.571 1.00 9.74 O ATOM 1130 CB GLU A 80 31.037 -6.978 10.779 1.00 10.33 C ATOM 1131 CG GLU A 80 31.731 -7.984 9.875 1.00 10.80 C ATOM 1132 CD GLU A 80 30.860 -8.416 8.716 1.00 11.40 C ATOM 1133 OE1 GLU A 80 30.068 -7.584 8.229 1.00 11.61 O ATOM 1134 OE2 GLU A 80 30.967 -9.581 8.284 1.00 11.78 O ATOM 0 H GLU A 80 29.767 -5.867 8.927 1.00 9.00 H new ATOM 0 HA GLU A 80 31.049 -4.919 11.297 1.00 9.80 H new ATOM 0 HB2 GLU A 80 31.404 -7.116 11.796 1.00 10.33 H new ATOM 0 HB3 GLU A 80 29.971 -7.203 10.792 1.00 10.33 H new ATOM 0 HG2 GLU A 80 32.652 -7.547 9.490 1.00 10.80 H new ATOM 0 HG3 GLU A 80 32.013 -8.860 10.460 1.00 10.80 H new ATOM 1141 N ILE A 81 32.808 -5.599 8.612 1.00 8.42 N ATOM 1142 CA ILE A 81 34.093 -5.421 7.955 1.00 7.96 C ATOM 1143 C ILE A 81 34.394 -3.957 7.696 1.00 7.34 C ATOM 1144 O ILE A 81 35.505 -3.507 7.972 1.00 7.45 O ATOM 1145 CB ILE A 81 34.204 -6.189 6.626 1.00 7.44 C ATOM 1146 CG1 ILE A 81 34.217 -7.697 6.870 1.00 8.39 C ATOM 1147 CG2 ILE A 81 35.463 -5.757 5.895 1.00 6.94 C ATOM 1148 CD1 ILE A 81 34.304 -8.519 5.593 1.00 8.28 C ATOM 0 H ILE A 81 32.087 -6.011 8.020 1.00 8.42 H new ATOM 0 HA ILE A 81 34.825 -5.831 8.651 1.00 7.96 H new ATOM 0 HB ILE A 81 33.335 -5.958 6.011 1.00 7.44 H new ATOM 0 HG12 ILE A 81 35.063 -7.946 7.511 1.00 8.39 H new ATOM 0 HG13 ILE A 81 33.314 -7.977 7.412 1.00 8.39 H new ATOM 0 HG21 ILE A 81 35.542 -6.301 4.954 1.00 6.94 H new ATOM 0 HG22 ILE A 81 35.417 -4.687 5.693 1.00 6.94 H new ATOM 0 HG23 ILE A 81 36.335 -5.973 6.513 1.00 6.94 H new ATOM 0 HD11 ILE A 81 34.309 -9.580 5.843 1.00 8.28 H new ATOM 0 HD12 ILE A 81 33.445 -8.299 4.960 1.00 8.28 H new ATOM 0 HD13 ILE A 81 35.221 -8.268 5.060 1.00 8.28 H new ATOM 1160 N VAL A 82 33.422 -3.212 7.168 1.00 6.83 N ATOM 1161 CA VAL A 82 33.628 -1.798 6.914 1.00 6.55 C ATOM 1162 C VAL A 82 34.060 -1.130 8.214 1.00 7.54 C ATOM 1163 O VAL A 82 34.937 -0.271 8.230 1.00 7.57 O ATOM 1164 CB VAL A 82 32.368 -1.102 6.345 1.00 6.32 C ATOM 1165 CG1 VAL A 82 31.853 -1.826 5.113 1.00 5.50 C ATOM 1166 CG2 VAL A 82 31.271 -0.986 7.390 1.00 7.25 C ATOM 0 H VAL A 82 32.499 -3.564 6.913 1.00 6.83 H new ATOM 0 HA VAL A 82 34.403 -1.699 6.154 1.00 6.55 H new ATOM 0 HB VAL A 82 32.661 -0.093 6.055 1.00 6.32 H new ATOM 0 HG11 VAL A 82 30.968 -1.315 4.734 1.00 5.50 H new ATOM 0 HG12 VAL A 82 32.626 -1.831 4.344 1.00 5.50 H new ATOM 0 HG13 VAL A 82 31.596 -2.852 5.375 1.00 5.50 H new ATOM 0 HG21 VAL A 82 30.403 -0.492 6.953 1.00 7.25 H new ATOM 0 HG22 VAL A 82 30.988 -1.981 7.733 1.00 7.25 H new ATOM 0 HG23 VAL A 82 31.634 -0.401 8.235 1.00 7.25 H new ATOM 1176 N ALA A 83 33.450 -1.595 9.301 1.00 8.43 N ATOM 1177 CA ALA A 83 33.780 -1.175 10.648 1.00 9.53 C ATOM 1178 C ALA A 83 35.216 -1.536 11.003 1.00 9.70 C ATOM 1179 O ALA A 83 35.959 -0.710 11.522 1.00 10.09 O ATOM 1180 CB ALA A 83 32.826 -1.849 11.605 1.00 10.39 C ATOM 0 H ALA A 83 32.701 -2.286 9.263 1.00 8.43 H new ATOM 0 HA ALA A 83 33.687 -0.091 10.718 1.00 9.53 H new ATOM 0 HB1 ALA A 83 33.059 -1.545 12.625 1.00 10.39 H new ATOM 0 HB2 ALA A 83 31.803 -1.559 11.364 1.00 10.39 H new ATOM 0 HB3 ALA A 83 32.926 -2.931 11.517 1.00 10.39 H new ATOM 1186 N ILE A 84 35.598 -2.777 10.712 1.00 9.53 N ATOM 1187 CA ILE A 84 36.949 -3.252 10.977 1.00 9.80 C ATOM 1188 C ILE A 84 37.964 -2.410 10.211 1.00 9.04 C ATOM 1189 O ILE A 84 38.995 -2.017 10.748 1.00 9.43 O ATOM 1190 CB ILE A 84 37.101 -4.741 10.580 1.00 9.84 C ATOM 1191 CG1 ILE A 84 36.237 -5.619 11.491 1.00 10.78 C ATOM 1192 CG2 ILE A 84 38.559 -5.174 10.653 1.00 10.13 C ATOM 1193 CD1 ILE A 84 35.720 -6.870 10.820 1.00 10.71 C ATOM 0 H ILE A 84 34.985 -3.474 10.290 1.00 9.53 H new ATOM 0 HA ILE A 84 37.135 -3.157 12.047 1.00 9.80 H new ATOM 0 HB ILE A 84 36.763 -4.860 9.551 1.00 9.84 H new ATOM 0 HG12 ILE A 84 36.821 -5.902 12.367 1.00 10.78 H new ATOM 0 HG13 ILE A 84 35.390 -5.033 11.848 1.00 10.78 H new ATOM 0 HG21 ILE A 84 38.642 -6.223 10.370 1.00 10.13 H new ATOM 0 HG22 ILE A 84 39.154 -4.566 9.971 1.00 10.13 H new ATOM 0 HG23 ILE A 84 38.927 -5.043 11.671 1.00 10.13 H new ATOM 0 HD11 ILE A 84 35.117 -7.440 11.527 1.00 10.71 H new ATOM 0 HD12 ILE A 84 35.108 -6.596 9.961 1.00 10.71 H new ATOM 0 HD13 ILE A 84 36.561 -7.479 10.487 1.00 10.71 H new ATOM 1205 N ILE A 85 37.637 -2.102 8.966 1.00 8.01 N ATOM 1206 CA ILE A 85 38.518 -1.333 8.108 1.00 7.27 C ATOM 1207 C ILE A 85 38.706 0.088 8.637 1.00 7.66 C ATOM 1208 O ILE A 85 39.829 0.588 8.711 1.00 7.73 O ATOM 1209 CB ILE A 85 37.985 -1.291 6.670 1.00 6.22 C ATOM 1210 CG1 ILE A 85 37.874 -2.715 6.129 1.00 6.07 C ATOM 1211 CG2 ILE A 85 38.892 -0.440 5.789 1.00 5.61 C ATOM 1212 CD1 ILE A 85 37.190 -2.813 4.784 1.00 5.25 C ATOM 0 H ILE A 85 36.759 -2.377 8.526 1.00 8.01 H new ATOM 0 HA ILE A 85 39.488 -1.831 8.107 1.00 7.27 H new ATOM 0 HB ILE A 85 36.995 -0.834 6.664 1.00 6.22 H new ATOM 0 HG12 ILE A 85 38.874 -3.140 6.048 1.00 6.07 H new ATOM 0 HG13 ILE A 85 37.326 -3.324 6.848 1.00 6.07 H new ATOM 0 HG21 ILE A 85 38.499 -0.421 4.773 1.00 5.61 H new ATOM 0 HG22 ILE A 85 38.931 0.576 6.182 1.00 5.61 H new ATOM 0 HG23 ILE A 85 39.896 -0.865 5.782 1.00 5.61 H new ATOM 0 HD11 ILE A 85 37.152 -3.856 4.471 1.00 5.25 H new ATOM 0 HD12 ILE A 85 36.176 -2.420 4.862 1.00 5.25 H new ATOM 0 HD13 ILE A 85 37.748 -2.234 4.049 1.00 5.25 H new ATOM 1224 N THR A 86 37.614 0.735 9.024 1.00 8.07 N ATOM 1225 CA THR A 86 37.713 2.072 9.592 1.00 8.77 C ATOM 1226 C THR A 86 38.298 2.020 11.007 1.00 9.82 C ATOM 1227 O THR A 86 38.856 3.003 11.503 1.00 10.38 O ATOM 1228 CB THR A 86 36.366 2.851 9.554 1.00 9.14 C ATOM 1229 OG1 THR A 86 36.436 4.038 10.352 1.00 10.16 O ATOM 1230 CG2 THR A 86 35.189 2.005 9.994 1.00 9.36 C ATOM 0 H THR A 86 36.666 0.364 8.957 1.00 8.07 H new ATOM 0 HA THR A 86 38.399 2.634 8.959 1.00 8.77 H new ATOM 0 HB THR A 86 36.202 3.126 8.512 1.00 9.14 H new ATOM 0 HG1 THR A 86 37.194 4.585 10.058 1.00 10.16 H new ATOM 0 HG21 THR A 86 34.276 2.599 9.948 1.00 9.36 H new ATOM 0 HG22 THR A 86 35.094 1.142 9.334 1.00 9.36 H new ATOM 0 HG23 THR A 86 35.348 1.664 11.017 1.00 9.36 H new ATOM 1238 N SER A 87 38.204 0.854 11.637 1.00 10.16 N ATOM 1239 CA SER A 87 38.842 0.630 12.927 1.00 11.17 C ATOM 1240 C SER A 87 40.352 0.476 12.733 1.00 10.93 C ATOM 1241 O SER A 87 41.143 0.808 13.617 1.00 11.68 O ATOM 1242 CB SER A 87 38.257 -0.617 13.606 1.00 11.77 C ATOM 1243 OG SER A 87 38.656 -0.708 14.966 1.00 12.35 O ATOM 0 H SER A 87 37.692 0.050 11.274 1.00 10.16 H new ATOM 0 HA SER A 87 38.652 1.488 13.572 1.00 11.17 H new ATOM 0 HB2 SER A 87 37.169 -0.588 13.547 1.00 11.77 H new ATOM 0 HB3 SER A 87 38.581 -1.509 13.071 1.00 11.77 H new ATOM 0 HG SER A 87 38.265 -1.512 15.368 1.00 12.35 H new ATOM 1249 N MET A 88 40.743 -0.020 11.559 1.00 9.91 N ATOM 1250 CA MET A 88 42.154 -0.129 11.195 1.00 9.62 C ATOM 1251 C MET A 88 42.767 1.253 11.057 1.00 9.52 C ATOM 1252 O MET A 88 43.966 1.443 11.254 1.00 9.66 O ATOM 1253 CB MET A 88 42.332 -0.891 9.879 1.00 8.63 C ATOM 1254 CG MET A 88 41.934 -2.357 9.945 1.00 8.93 C ATOM 1255 SD MET A 88 42.895 -3.289 11.154 1.00 10.15 S ATOM 1256 CE MET A 88 44.550 -3.101 10.491 1.00 10.33 C ATOM 0 H MET A 88 40.099 -0.354 10.842 1.00 9.91 H new ATOM 0 HA MET A 88 42.658 -0.680 11.989 1.00 9.62 H new ATOM 0 HB2 MET A 88 41.740 -0.401 9.106 1.00 8.63 H new ATOM 0 HB3 MET A 88 43.376 -0.824 9.572 1.00 8.63 H new ATOM 0 HG2 MET A 88 40.876 -2.430 10.195 1.00 8.93 H new ATOM 0 HG3 MET A 88 42.061 -2.808 8.961 1.00 8.93 H new ATOM 0 HE1 MET A 88 45.203 -3.861 10.921 1.00 10.33 H new ATOM 0 HE2 MET A 88 44.523 -3.217 9.407 1.00 10.33 H new ATOM 0 HE3 MET A 88 44.932 -2.111 10.741 1.00 10.33 H new ATOM 1266 N GLY A 89 41.929 2.217 10.715 1.00 9.41 N ATOM 1267 CA GLY A 89 42.382 3.578 10.545 1.00 9.53 C ATOM 1268 C GLY A 89 41.838 4.206 9.282 1.00 8.82 C ATOM 1269 O GLY A 89 42.047 5.393 9.032 1.00 9.04 O ATOM 0 H GLY A 89 40.932 2.078 10.551 1.00 9.41 H new ATOM 0 HA2 GLY A 89 42.075 4.172 11.406 1.00 9.53 H new ATOM 0 HA3 GLY A 89 43.472 3.596 10.518 1.00 9.53 H new ATOM 1273 N PHE A 90 41.140 3.406 8.489 1.00 8.10 N ATOM 1274 CA PHE A 90 40.559 3.877 7.242 1.00 7.50 C ATOM 1275 C PHE A 90 39.169 4.453 7.492 1.00 8.05 C ATOM 1276 O PHE A 90 38.734 4.570 8.636 1.00 8.89 O ATOM 1277 CB PHE A 90 40.510 2.723 6.235 1.00 6.45 C ATOM 1278 CG PHE A 90 41.877 2.197 5.898 1.00 6.07 C ATOM 1279 CD1 PHE A 90 42.880 3.061 5.483 1.00 6.07 C ATOM 1280 CD2 PHE A 90 42.163 0.847 6.007 1.00 5.98 C ATOM 1281 CE1 PHE A 90 44.141 2.586 5.181 1.00 5.89 C ATOM 1282 CE2 PHE A 90 43.423 0.366 5.705 1.00 5.84 C ATOM 1283 CZ PHE A 90 44.412 1.236 5.291 1.00 5.76 C ATOM 0 H PHE A 90 40.962 2.422 8.690 1.00 8.10 H new ATOM 0 HA PHE A 90 41.178 4.673 6.827 1.00 7.50 H new ATOM 0 HB2 PHE A 90 39.903 1.915 6.643 1.00 6.45 H new ATOM 0 HB3 PHE A 90 40.019 3.061 5.323 1.00 6.45 H new ATOM 0 HD1 PHE A 90 42.672 4.117 5.395 1.00 6.07 H new ATOM 0 HD2 PHE A 90 41.393 0.162 6.331 1.00 5.98 H new ATOM 0 HE1 PHE A 90 44.914 3.269 4.859 1.00 5.89 H new ATOM 0 HE2 PHE A 90 43.634 -0.690 5.793 1.00 5.84 H new ATOM 0 HZ PHE A 90 45.397 0.861 5.053 1.00 5.76 H new ATOM 1293 N GLN A 91 38.489 4.833 6.430 1.00 7.71 N ATOM 1294 CA GLN A 91 37.141 5.351 6.540 1.00 8.28 C ATOM 1295 C GLN A 91 36.135 4.244 6.241 1.00 7.66 C ATOM 1296 O GLN A 91 36.410 3.377 5.417 1.00 6.72 O ATOM 1297 CB GLN A 91 36.969 6.530 5.576 1.00 8.59 C ATOM 1298 CG GLN A 91 35.547 7.044 5.476 1.00 9.30 C ATOM 1299 CD GLN A 91 35.417 8.280 4.605 1.00 9.79 C ATOM 1300 OE1 GLN A 91 36.293 8.422 3.620 1.00 10.05 O flip ATOM 1301 NE2 GLN A 91 34.534 9.108 4.820 1.00 10.16 N flip ATOM 0 H GLN A 91 38.850 4.793 5.477 1.00 7.71 H new ATOM 0 HA GLN A 91 36.962 5.705 7.555 1.00 8.28 H new ATOM 0 HB2 GLN A 91 37.617 7.346 5.897 1.00 8.59 H new ATOM 0 HB3 GLN A 91 37.305 6.227 4.584 1.00 8.59 H new ATOM 0 HG2 GLN A 91 34.910 6.256 5.074 1.00 9.30 H new ATOM 0 HG3 GLN A 91 35.179 7.272 6.476 1.00 9.30 H new ATOM 0 HE21 GLN A 91 33.877 8.966 5.587 1.00 10.16 H new ATOM 0 HE22 GLN A 91 34.458 9.937 4.231 1.00 10.16 H new ATOM 1310 N ARG A 92 34.990 4.255 6.917 1.00 8.25 N ATOM 1311 CA ARG A 92 33.953 3.248 6.679 1.00 7.79 C ATOM 1312 C ARG A 92 33.559 3.228 5.208 1.00 7.08 C ATOM 1313 O ARG A 92 33.534 2.180 4.573 1.00 6.21 O ATOM 1314 CB ARG A 92 32.714 3.534 7.513 1.00 8.69 C ATOM 1315 CG ARG A 92 31.626 2.500 7.304 1.00 8.30 C ATOM 1316 CD ARG A 92 30.246 3.080 7.515 1.00 8.98 C ATOM 1317 NE ARG A 92 30.046 3.550 8.890 1.00 10.14 N ATOM 1318 CZ ARG A 92 28.934 3.363 9.599 1.00 10.93 C ATOM 1319 NH1 ARG A 92 27.905 2.704 9.084 1.00 10.74 N ATOM 1320 NH2 ARG A 92 28.859 3.838 10.834 1.00 11.98 N ATOM 0 H ARG A 92 34.754 4.945 7.631 1.00 8.25 H new ATOM 0 HA ARG A 92 34.364 2.280 6.965 1.00 7.79 H new ATOM 0 HB2 ARG A 92 32.988 3.561 8.568 1.00 8.69 H new ATOM 0 HB3 ARG A 92 32.328 4.521 7.258 1.00 8.69 H new ATOM 0 HG2 ARG A 92 31.699 2.096 6.294 1.00 8.30 H new ATOM 0 HG3 ARG A 92 31.779 1.669 7.992 1.00 8.30 H new ATOM 0 HD2 ARG A 92 30.093 3.909 6.824 1.00 8.98 H new ATOM 0 HD3 ARG A 92 29.496 2.325 7.278 1.00 8.98 H new ATOM 0 HE ARG A 92 30.812 4.056 9.334 1.00 10.14 H new ATOM 0 HH11 ARG A 92 27.960 2.334 8.135 1.00 10.74 H new ATOM 0 HH12 ARG A 92 27.059 2.567 9.637 1.00 10.74 H new ATOM 0 HH21 ARG A 92 29.649 4.343 11.235 1.00 11.98 H new ATOM 0 HH22 ARG A 92 28.011 3.699 11.383 1.00 11.98 H new ATOM 1334 N ASN A 93 33.246 4.404 4.686 1.00 7.66 N ATOM 1335 CA ASN A 93 32.865 4.562 3.281 1.00 7.40 C ATOM 1336 C ASN A 93 33.980 4.091 2.356 1.00 6.66 C ATOM 1337 O ASN A 93 33.728 3.481 1.317 1.00 6.20 O ATOM 1338 CB ASN A 93 32.545 6.022 3.001 1.00 8.50 C ATOM 1339 CG ASN A 93 32.052 6.261 1.584 1.00 8.62 C ATOM 1340 OD1 ASN A 93 32.836 6.511 0.673 1.00 8.59 O ATOM 1341 ND2 ASN A 93 30.745 6.201 1.393 1.00 9.02 N ATOM 0 H ASN A 93 33.247 5.275 5.217 1.00 7.66 H new ATOM 0 HA ASN A 93 31.983 3.950 3.091 1.00 7.40 H new ATOM 0 HB2 ASN A 93 31.787 6.364 3.706 1.00 8.50 H new ATOM 0 HB3 ASN A 93 33.437 6.624 3.176 1.00 8.50 H new ATOM 0 HD21 ASN A 93 30.357 6.365 0.464 1.00 9.02 H new ATOM 0 HD22 ASN A 93 30.124 5.990 2.175 1.00 9.02 H new ATOM 1348 N GLN A 94 35.212 4.379 2.753 1.00 6.68 N ATOM 1349 CA GLN A 94 36.387 3.899 2.047 1.00 6.08 C ATOM 1350 C GLN A 94 36.382 2.384 2.036 1.00 5.11 C ATOM 1351 O GLN A 94 36.583 1.742 1.007 1.00 4.70 O ATOM 1352 CB GLN A 94 37.628 4.413 2.748 1.00 6.39 C ATOM 1353 CG GLN A 94 38.908 3.740 2.302 1.00 5.72 C ATOM 1354 CD GLN A 94 39.281 4.076 0.873 1.00 6.13 C ATOM 1355 OE1 GLN A 94 38.893 3.386 -0.064 1.00 6.28 O ATOM 1356 NE2 GLN A 94 40.030 5.154 0.701 1.00 6.56 N ATOM 0 H GLN A 94 35.422 4.950 3.571 1.00 6.68 H new ATOM 0 HA GLN A 94 36.380 4.260 1.018 1.00 6.08 H new ATOM 0 HB2 GLN A 94 37.713 5.486 2.574 1.00 6.39 H new ATOM 0 HB3 GLN A 94 37.511 4.273 3.823 1.00 6.39 H new ATOM 0 HG2 GLN A 94 39.720 4.039 2.965 1.00 5.72 H new ATOM 0 HG3 GLN A 94 38.798 2.660 2.400 1.00 5.72 H new ATOM 0 HE21 GLN A 94 40.331 5.700 1.508 1.00 6.56 H new ATOM 0 HE22 GLN A 94 40.306 5.439 -0.239 1.00 6.56 H new ATOM 1365 N ALA A 95 36.125 1.829 3.208 1.00 5.10 N ATOM 1366 CA ALA A 95 36.011 0.401 3.385 1.00 4.58 C ATOM 1367 C ALA A 95 34.914 -0.170 2.495 1.00 4.24 C ATOM 1368 O ALA A 95 35.076 -1.233 1.902 1.00 3.93 O ATOM 1369 CB ALA A 95 35.723 0.116 4.844 1.00 5.22 C ATOM 0 H ALA A 95 35.990 2.364 4.066 1.00 5.10 H new ATOM 0 HA ALA A 95 36.946 -0.079 3.096 1.00 4.58 H new ATOM 0 HB1 ALA A 95 35.634 -0.960 4.994 1.00 5.22 H new ATOM 0 HB2 ALA A 95 36.537 0.502 5.458 1.00 5.22 H new ATOM 0 HB3 ALA A 95 34.790 0.601 5.132 1.00 5.22 H new ATOM 1375 N ILE A 96 33.800 0.553 2.404 1.00 4.61 N ATOM 1376 CA ILE A 96 32.701 0.163 1.532 1.00 4.48 C ATOM 1377 C ILE A 96 33.171 0.070 0.085 1.00 4.45 C ATOM 1378 O ILE A 96 32.975 -0.949 -0.578 1.00 4.33 O ATOM 1379 CB ILE A 96 31.506 1.149 1.630 1.00 5.19 C ATOM 1380 CG1 ILE A 96 30.611 0.782 2.810 1.00 5.44 C ATOM 1381 CG2 ILE A 96 30.699 1.165 0.340 1.00 5.34 C ATOM 1382 CD1 ILE A 96 30.470 1.885 3.828 1.00 6.39 C ATOM 0 H ILE A 96 33.637 1.414 2.926 1.00 4.61 H new ATOM 0 HA ILE A 96 32.360 -0.817 1.866 1.00 4.48 H new ATOM 0 HB ILE A 96 31.908 2.150 1.789 1.00 5.19 H new ATOM 0 HG12 ILE A 96 29.622 0.516 2.436 1.00 5.44 H new ATOM 0 HG13 ILE A 96 31.015 -0.104 3.300 1.00 5.44 H new ATOM 0 HG21 ILE A 96 29.869 1.865 0.439 1.00 5.34 H new ATOM 0 HG22 ILE A 96 31.339 1.476 -0.486 1.00 5.34 H new ATOM 0 HG23 ILE A 96 30.310 0.166 0.142 1.00 5.34 H new ATOM 0 HD11 ILE A 96 29.820 1.552 4.637 1.00 6.39 H new ATOM 0 HD12 ILE A 96 31.451 2.136 4.231 1.00 6.39 H new ATOM 0 HD13 ILE A 96 30.036 2.765 3.353 1.00 6.39 H new ATOM 1394 N GLN A 97 33.806 1.135 -0.385 1.00 4.95 N ATOM 1395 CA GLN A 97 34.317 1.196 -1.749 1.00 5.42 C ATOM 1396 C GLN A 97 35.274 0.051 -2.019 1.00 5.09 C ATOM 1397 O GLN A 97 35.175 -0.637 -3.039 1.00 5.57 O ATOM 1398 CB GLN A 97 35.033 2.517 -1.986 1.00 6.13 C ATOM 1399 CG GLN A 97 35.627 2.632 -3.377 1.00 6.88 C ATOM 1400 CD GLN A 97 36.126 4.030 -3.688 1.00 7.78 C ATOM 1401 OE1 GLN A 97 36.537 4.772 -2.798 1.00 8.13 O ATOM 1402 NE2 GLN A 97 36.107 4.396 -4.960 1.00 8.36 N ATOM 0 H GLN A 97 33.981 1.977 0.164 1.00 4.95 H new ATOM 0 HA GLN A 97 33.469 1.115 -2.429 1.00 5.42 H new ATOM 0 HB2 GLN A 97 34.332 3.337 -1.828 1.00 6.13 H new ATOM 0 HB3 GLN A 97 35.827 2.630 -1.248 1.00 6.13 H new ATOM 0 HG2 GLN A 97 36.452 1.926 -3.474 1.00 6.88 H new ATOM 0 HG3 GLN A 97 34.875 2.347 -4.113 1.00 6.88 H new ATOM 0 HE21 GLN A 97 35.759 3.753 -5.671 1.00 8.36 H new ATOM 0 HE22 GLN A 97 36.441 5.321 -5.229 1.00 8.36 H new ATOM 1411 N ALA A 98 36.186 -0.151 -1.088 1.00 4.57 N ATOM 1412 CA ALA A 98 37.174 -1.199 -1.204 1.00 4.55 C ATOM 1413 C ALA A 98 36.510 -2.565 -1.305 1.00 4.70 C ATOM 1414 O ALA A 98 36.800 -3.333 -2.218 1.00 5.41 O ATOM 1415 CB ALA A 98 38.115 -1.153 -0.017 1.00 4.17 C ATOM 0 H ALA A 98 36.261 0.404 -0.236 1.00 4.57 H new ATOM 0 HA ALA A 98 37.746 -1.037 -2.118 1.00 4.55 H new ATOM 0 HB1 ALA A 98 38.857 -1.946 -0.110 1.00 4.17 H new ATOM 0 HB2 ALA A 98 38.618 -0.186 0.011 1.00 4.17 H new ATOM 0 HB3 ALA A 98 37.548 -1.294 0.903 1.00 4.17 H new ATOM 1421 N LEU A 99 35.594 -2.850 -0.379 1.00 4.31 N ATOM 1422 CA LEU A 99 34.881 -4.124 -0.375 1.00 4.67 C ATOM 1423 C LEU A 99 34.061 -4.305 -1.645 1.00 5.10 C ATOM 1424 O LEU A 99 33.898 -5.419 -2.122 1.00 5.77 O ATOM 1425 CB LEU A 99 33.967 -4.230 0.839 1.00 4.44 C ATOM 1426 CG LEU A 99 34.673 -4.245 2.187 1.00 4.61 C ATOM 1427 CD1 LEU A 99 33.674 -4.038 3.298 1.00 4.82 C ATOM 1428 CD2 LEU A 99 35.410 -5.553 2.386 1.00 5.40 C ATOM 0 H LEU A 99 35.330 -2.216 0.375 1.00 4.31 H new ATOM 0 HA LEU A 99 35.631 -4.913 -0.329 1.00 4.67 H new ATOM 0 HB2 LEU A 99 33.270 -3.392 0.822 1.00 4.44 H new ATOM 0 HB3 LEU A 99 33.374 -5.140 0.748 1.00 4.44 H new ATOM 0 HG LEU A 99 35.399 -3.432 2.207 1.00 4.61 H new ATOM 0 HD11 LEU A 99 34.190 -4.051 4.258 1.00 4.82 H new ATOM 0 HD12 LEU A 99 33.177 -3.077 3.166 1.00 4.82 H new ATOM 0 HD13 LEU A 99 32.933 -4.837 3.274 1.00 4.82 H new ATOM 0 HD21 LEU A 99 35.909 -5.546 3.355 1.00 5.40 H new ATOM 0 HD22 LEU A 99 34.700 -6.380 2.349 1.00 5.40 H new ATOM 0 HD23 LEU A 99 36.152 -5.676 1.597 1.00 5.40 H new ATOM 1440 N ARG A 100 33.534 -3.215 -2.186 1.00 5.01 N ATOM 1441 CA ARG A 100 32.809 -3.271 -3.454 1.00 5.73 C ATOM 1442 C ARG A 100 33.688 -3.882 -4.534 1.00 6.63 C ATOM 1443 O ARG A 100 33.270 -4.776 -5.273 1.00 7.33 O ATOM 1444 CB ARG A 100 32.384 -1.870 -3.883 1.00 5.96 C ATOM 1445 CG ARG A 100 31.197 -1.321 -3.110 1.00 5.58 C ATOM 1446 CD ARG A 100 31.009 0.158 -3.379 1.00 6.19 C ATOM 1447 NE ARG A 100 29.747 0.668 -2.847 1.00 6.32 N ATOM 1448 CZ ARG A 100 29.448 1.965 -2.771 1.00 7.08 C ATOM 1449 NH1 ARG A 100 30.296 2.878 -3.226 1.00 7.71 N ATOM 1450 NH2 ARG A 100 28.295 2.357 -2.249 1.00 7.36 N ATOM 0 H ARG A 100 33.593 -2.285 -1.772 1.00 5.01 H new ATOM 0 HA ARG A 100 31.922 -3.890 -3.316 1.00 5.73 H new ATOM 0 HB2 ARG A 100 33.229 -1.192 -3.761 1.00 5.96 H new ATOM 0 HB3 ARG A 100 32.138 -1.885 -4.945 1.00 5.96 H new ATOM 0 HG2 ARG A 100 30.294 -1.863 -3.391 1.00 5.58 H new ATOM 0 HG3 ARG A 100 31.347 -1.484 -2.043 1.00 5.58 H new ATOM 0 HD2 ARG A 100 31.837 0.712 -2.936 1.00 6.19 H new ATOM 0 HD3 ARG A 100 31.045 0.336 -4.454 1.00 6.19 H new ATOM 0 HE ARG A 100 29.057 -0.006 -2.515 1.00 6.32 H new ATOM 0 HH11 ARG A 100 31.184 2.590 -3.637 1.00 7.71 H new ATOM 0 HH12 ARG A 100 30.060 3.869 -3.164 1.00 7.71 H new ATOM 0 HH21 ARG A 100 27.631 1.665 -1.903 1.00 7.36 H new ATOM 0 HH22 ARG A 100 28.072 3.351 -2.194 1.00 7.36 H new ATOM 1464 N ALA A 101 34.914 -3.396 -4.600 1.00 6.70 N ATOM 1465 CA ALA A 101 35.887 -3.874 -5.565 1.00 7.62 C ATOM 1466 C ALA A 101 36.357 -5.291 -5.229 1.00 7.91 C ATOM 1467 O ALA A 101 36.489 -6.141 -6.112 1.00 8.88 O ATOM 1468 CB ALA A 101 37.061 -2.910 -5.598 1.00 7.61 C ATOM 0 H ALA A 101 35.263 -2.659 -3.987 1.00 6.70 H new ATOM 0 HA ALA A 101 35.420 -3.917 -6.549 1.00 7.62 H new ATOM 0 HB1 ALA A 101 37.799 -3.260 -6.320 1.00 7.61 H new ATOM 0 HB2 ALA A 101 36.710 -1.919 -5.888 1.00 7.61 H new ATOM 0 HB3 ALA A 101 37.517 -2.858 -4.609 1.00 7.61 H new ATOM 1474 N THR A 102 36.594 -5.543 -3.951 1.00 7.24 N ATOM 1475 CA THR A 102 37.153 -6.807 -3.503 1.00 7.76 C ATOM 1476 C THR A 102 36.087 -7.883 -3.281 1.00 8.12 C ATOM 1477 O THR A 102 36.405 -9.012 -2.918 1.00 8.79 O ATOM 1478 CB THR A 102 37.944 -6.574 -2.224 1.00 7.19 C ATOM 1479 OG1 THR A 102 37.066 -6.199 -1.155 1.00 6.44 O ATOM 1480 CG2 THR A 102 38.929 -5.460 -2.485 1.00 6.79 C ATOM 0 H THR A 102 36.405 -4.880 -3.199 1.00 7.24 H new ATOM 0 HA THR A 102 37.807 -7.180 -4.292 1.00 7.76 H new ATOM 0 HB THR A 102 38.462 -7.488 -1.935 1.00 7.19 H new ATOM 0 HG1 THR A 102 37.385 -6.593 -0.316 1.00 6.44 H new ATOM 0 HG21 THR A 102 39.511 -5.271 -1.583 1.00 6.79 H new ATOM 0 HG22 THR A 102 39.598 -5.749 -3.295 1.00 6.79 H new ATOM 0 HG23 THR A 102 38.389 -4.555 -2.765 1.00 6.79 H new ATOM 1488 N ASN A 103 34.821 -7.513 -3.511 1.00 7.78 N ATOM 1489 CA ASN A 103 33.681 -8.414 -3.342 1.00 8.03 C ATOM 1490 C ASN A 103 33.483 -8.786 -1.875 1.00 7.69 C ATOM 1491 O ASN A 103 33.325 -9.958 -1.536 1.00 8.43 O ATOM 1492 CB ASN A 103 33.831 -9.678 -4.191 1.00 9.26 C ATOM 1493 CG ASN A 103 33.635 -9.441 -5.681 1.00 9.66 C ATOM 1494 OD1 ASN A 103 34.027 -8.272 -6.167 1.00 10.09 O flip ATOM 1495 ND2 ASN A 103 33.140 -10.311 -6.394 1.00 9.74 N flip ATOM 0 H ASN A 103 34.561 -6.577 -3.820 1.00 7.78 H new ATOM 0 HA ASN A 103 32.797 -7.877 -3.686 1.00 8.03 H new ATOM 0 HB2 ASN A 103 34.823 -10.100 -4.027 1.00 9.26 H new ATOM 0 HB3 ASN A 103 33.109 -10.420 -3.852 1.00 9.26 H new ATOM 0 HD21 ASN A 103 32.849 -11.200 -5.987 1.00 9.74 H new ATOM 0 HD22 ASN A 103 33.020 -10.144 -7.393 1.00 9.74 H new ATOM 1502 N ASN A 104 33.497 -7.763 -1.020 1.00 6.74 N ATOM 1503 CA ASN A 104 33.297 -7.910 0.428 1.00 6.57 C ATOM 1504 C ASN A 104 34.482 -8.607 1.087 1.00 7.31 C ATOM 1505 O ASN A 104 34.402 -9.021 2.246 1.00 7.80 O ATOM 1506 CB ASN A 104 32.013 -8.681 0.753 1.00 6.81 C ATOM 1507 CG ASN A 104 30.741 -7.944 0.367 1.00 7.28 C ATOM 1508 OD1 ASN A 104 30.733 -7.101 -0.533 1.00 7.71 O ATOM 1509 ND2 ASN A 104 29.649 -8.269 1.045 1.00 7.45 N ATOM 0 H ASN A 104 33.649 -6.798 -1.313 1.00 6.74 H new ATOM 0 HA ASN A 104 33.208 -6.900 0.829 1.00 6.57 H new ATOM 0 HB2 ASN A 104 32.036 -9.641 0.237 1.00 6.81 H new ATOM 0 HB3 ASN A 104 31.989 -8.894 1.822 1.00 6.81 H new ATOM 0 HD21 ASN A 104 28.761 -7.816 0.829 1.00 7.45 H new ATOM 0 HD22 ASN A 104 29.697 -8.972 1.783 1.00 7.45 H new ATOM 1516 N ASN A 105 35.580 -8.732 0.353 1.00 7.54 N ATOM 1517 CA ASN A 105 36.794 -9.324 0.897 1.00 8.24 C ATOM 1518 C ASN A 105 37.493 -8.304 1.781 1.00 7.62 C ATOM 1519 O ASN A 105 38.028 -7.309 1.294 1.00 6.99 O ATOM 1520 CB ASN A 105 37.734 -9.763 -0.227 1.00 8.91 C ATOM 1521 CG ASN A 105 38.805 -10.719 0.262 1.00 9.80 C ATOM 1522 OD1 ASN A 105 39.843 -10.304 0.776 1.00 10.00 O ATOM 1523 ND2 ASN A 105 38.569 -12.008 0.080 1.00 10.49 N ATOM 0 H ASN A 105 35.655 -8.432 -0.619 1.00 7.54 H new ATOM 0 HA ASN A 105 36.526 -10.203 1.483 1.00 8.24 H new ATOM 0 HB2 ASN A 105 37.155 -10.242 -1.016 1.00 8.91 H new ATOM 0 HB3 ASN A 105 38.207 -8.885 -0.667 1.00 8.91 H new ATOM 0 HD21 ASN A 105 39.261 -12.699 0.370 1.00 10.49 H new ATOM 0 HD22 ASN A 105 37.695 -12.311 -0.350 1.00 10.49 H new ATOM 1530 N LEU A 106 37.458 -8.568 3.082 1.00 7.99 N ATOM 1531 CA LEU A 106 38.006 -7.675 4.102 1.00 7.70 C ATOM 1532 C LEU A 106 39.477 -7.377 3.851 1.00 7.69 C ATOM 1533 O LEU A 106 39.877 -6.225 3.686 1.00 6.94 O ATOM 1534 CB LEU A 106 37.833 -8.333 5.478 1.00 8.64 C ATOM 1535 CG LEU A 106 38.415 -7.580 6.683 1.00 8.79 C ATOM 1536 CD1 LEU A 106 37.579 -7.858 7.917 1.00 9.54 C ATOM 1537 CD2 LEU A 106 39.853 -7.992 6.947 1.00 9.40 C ATOM 0 H LEU A 106 37.044 -9.418 3.465 1.00 7.99 H new ATOM 0 HA LEU A 106 37.468 -6.728 4.064 1.00 7.70 H new ATOM 0 HB2 LEU A 106 36.767 -8.481 5.652 1.00 8.64 H new ATOM 0 HB3 LEU A 106 38.290 -9.322 5.442 1.00 8.64 H new ATOM 0 HG LEU A 106 38.397 -6.514 6.454 1.00 8.79 H new ATOM 0 HD11 LEU A 106 37.997 -7.321 8.768 1.00 9.54 H new ATOM 0 HD12 LEU A 106 36.555 -7.525 7.745 1.00 9.54 H new ATOM 0 HD13 LEU A 106 37.583 -8.928 8.126 1.00 9.54 H new ATOM 0 HD21 LEU A 106 40.237 -7.442 7.806 1.00 9.40 H new ATOM 0 HD22 LEU A 106 39.893 -9.061 7.154 1.00 9.40 H new ATOM 0 HD23 LEU A 106 40.462 -7.769 6.071 1.00 9.40 H new ATOM 1549 N GLU A 107 40.268 -8.433 3.855 1.00 8.63 N ATOM 1550 CA GLU A 107 41.710 -8.336 3.643 1.00 8.84 C ATOM 1551 C GLU A 107 42.037 -7.600 2.350 1.00 8.19 C ATOM 1552 O GLU A 107 42.908 -6.728 2.323 1.00 7.74 O ATOM 1553 CB GLU A 107 42.315 -9.735 3.604 1.00 10.06 C ATOM 1554 CG GLU A 107 42.142 -10.500 4.897 1.00 10.88 C ATOM 1555 CD GLU A 107 43.276 -10.265 5.870 1.00 11.25 C ATOM 1556 OE1 GLU A 107 44.304 -10.970 5.765 1.00 11.82 O ATOM 1557 OE2 GLU A 107 43.135 -9.406 6.761 1.00 11.09 O ATOM 0 H GLU A 107 39.934 -9.385 4.005 1.00 8.63 H new ATOM 0 HA GLU A 107 42.136 -7.768 4.470 1.00 8.84 H new ATOM 0 HB2 GLU A 107 41.855 -10.299 2.792 1.00 10.06 H new ATOM 0 HB3 GLU A 107 43.378 -9.657 3.376 1.00 10.06 H new ATOM 0 HG2 GLU A 107 41.201 -10.208 5.364 1.00 10.88 H new ATOM 0 HG3 GLU A 107 42.072 -11.565 4.678 1.00 10.88 H new ATOM 1564 N ARG A 108 41.340 -7.955 1.282 1.00 8.29 N ATOM 1565 CA ARG A 108 41.571 -7.337 -0.009 1.00 8.02 C ATOM 1566 C ARG A 108 41.074 -5.899 -0.024 1.00 6.88 C ATOM 1567 O ARG A 108 41.579 -5.080 -0.777 1.00 6.69 O ATOM 1568 CB ARG A 108 40.872 -8.119 -1.105 1.00 8.62 C ATOM 1569 CG ARG A 108 41.453 -7.919 -2.478 1.00 8.99 C ATOM 1570 CD ARG A 108 40.620 -8.676 -3.474 1.00 9.70 C ATOM 1571 NE ARG A 108 40.684 -10.121 -3.262 1.00 10.72 N ATOM 1572 CZ ARG A 108 39.880 -11.001 -3.860 1.00 11.45 C ATOM 1573 NH1 ARG A 108 39.013 -10.597 -4.782 1.00 11.31 N ATOM 1574 NH2 ARG A 108 39.964 -12.286 -3.542 1.00 12.41 N ATOM 0 H ARG A 108 40.610 -8.668 1.286 1.00 8.29 H new ATOM 0 HA ARG A 108 42.646 -7.341 -0.189 1.00 8.02 H new ATOM 0 HB2 ARG A 108 40.910 -9.180 -0.859 1.00 8.62 H new ATOM 0 HB3 ARG A 108 39.820 -7.834 -1.124 1.00 8.62 H new ATOM 0 HG2 ARG A 108 41.470 -6.859 -2.729 1.00 8.99 H new ATOM 0 HG3 ARG A 108 42.485 -8.270 -2.506 1.00 8.99 H new ATOM 0 HD2 ARG A 108 39.584 -8.346 -3.404 1.00 9.70 H new ATOM 0 HD3 ARG A 108 40.961 -8.443 -4.483 1.00 9.70 H new ATOM 0 HE ARG A 108 41.388 -10.479 -2.616 1.00 10.72 H new ATOM 0 HH11 ARG A 108 38.960 -9.610 -5.035 1.00 11.31 H new ATOM 0 HH12 ARG A 108 38.400 -11.274 -5.237 1.00 11.31 H new ATOM 0 HH21 ARG A 108 40.640 -12.595 -2.844 1.00 12.41 H new ATOM 0 HH22 ARG A 108 39.352 -12.965 -3.995 1.00 12.41 H new ATOM 1588 N ALA A 109 40.066 -5.596 0.781 1.00 6.30 N ATOM 1589 CA ALA A 109 39.574 -4.235 0.879 1.00 5.34 C ATOM 1590 C ALA A 109 40.674 -3.340 1.410 1.00 5.09 C ATOM 1591 O ALA A 109 41.001 -2.324 0.817 1.00 4.76 O ATOM 1592 CB ALA A 109 38.368 -4.163 1.788 1.00 5.03 C ATOM 0 H ALA A 109 39.578 -6.270 1.370 1.00 6.30 H new ATOM 0 HA ALA A 109 39.273 -3.899 -0.113 1.00 5.34 H new ATOM 0 HB1 ALA A 109 38.017 -3.133 1.846 1.00 5.03 H new ATOM 0 HB2 ALA A 109 37.574 -4.795 1.390 1.00 5.03 H new ATOM 0 HB3 ALA A 109 38.642 -4.509 2.784 1.00 5.03 H new ATOM 1598 N LEU A 110 41.261 -3.760 2.523 1.00 5.51 N ATOM 1599 CA LEU A 110 42.405 -3.076 3.103 1.00 5.52 C ATOM 1600 C LEU A 110 43.535 -3.017 2.087 1.00 5.67 C ATOM 1601 O LEU A 110 44.243 -2.023 1.981 1.00 5.40 O ATOM 1602 CB LEU A 110 42.862 -3.831 4.343 1.00 6.35 C ATOM 1603 CG LEU A 110 41.775 -4.059 5.387 1.00 6.65 C ATOM 1604 CD1 LEU A 110 42.184 -5.169 6.336 1.00 7.78 C ATOM 1605 CD2 LEU A 110 41.507 -2.777 6.151 1.00 6.44 C ATOM 0 H LEU A 110 40.958 -4.581 3.046 1.00 5.51 H new ATOM 0 HA LEU A 110 42.124 -2.060 3.379 1.00 5.52 H new ATOM 0 HB2 LEU A 110 43.261 -4.798 4.036 1.00 6.35 H new ATOM 0 HB3 LEU A 110 43.681 -3.280 4.806 1.00 6.35 H new ATOM 0 HG LEU A 110 40.857 -4.359 4.881 1.00 6.65 H new ATOM 0 HD11 LEU A 110 41.399 -5.322 7.077 1.00 7.78 H new ATOM 0 HD12 LEU A 110 42.337 -6.090 5.774 1.00 7.78 H new ATOM 0 HD13 LEU A 110 43.110 -4.894 6.840 1.00 7.78 H new ATOM 0 HD21 LEU A 110 40.729 -2.952 6.894 1.00 6.44 H new ATOM 0 HD22 LEU A 110 42.420 -2.454 6.651 1.00 6.44 H new ATOM 0 HD23 LEU A 110 41.179 -2.002 5.458 1.00 6.44 H new ATOM 1617 N ASP A 111 43.678 -4.106 1.345 1.00 6.32 N ATOM 1618 CA ASP A 111 44.640 -4.198 0.246 1.00 6.81 C ATOM 1619 C ASP A 111 44.378 -3.099 -0.778 1.00 6.41 C ATOM 1620 O ASP A 111 45.276 -2.350 -1.162 1.00 6.49 O ATOM 1621 CB ASP A 111 44.517 -5.554 -0.452 1.00 7.75 C ATOM 1622 CG ASP A 111 45.802 -5.973 -1.136 1.00 8.59 C ATOM 1623 OD1 ASP A 111 46.043 -5.542 -2.282 1.00 8.94 O ATOM 1624 OD2 ASP A 111 46.578 -6.735 -0.526 1.00 9.04 O ATOM 0 H ASP A 111 43.131 -4.955 1.485 1.00 6.32 H new ATOM 0 HA ASP A 111 45.642 -4.085 0.661 1.00 6.81 H new ATOM 0 HB2 ASP A 111 44.235 -6.311 0.279 1.00 7.75 H new ATOM 0 HB3 ASP A 111 43.715 -5.508 -1.189 1.00 7.75 H new ATOM 1629 N TRP A 112 43.124 -3.021 -1.200 1.00 6.15 N ATOM 1630 CA TRP A 112 42.683 -2.061 -2.198 1.00 6.12 C ATOM 1631 C TRP A 112 42.862 -0.645 -1.678 1.00 5.57 C ATOM 1632 O TRP A 112 43.371 0.231 -2.380 1.00 5.97 O ATOM 1633 CB TRP A 112 41.212 -2.313 -2.542 1.00 6.03 C ATOM 1634 CG TRP A 112 40.754 -1.568 -3.759 1.00 6.48 C ATOM 1635 CD1 TRP A 112 40.834 -1.994 -5.053 1.00 6.79 C ATOM 1636 CD2 TRP A 112 40.162 -0.264 -3.800 1.00 7.05 C ATOM 1637 NE1 TRP A 112 40.328 -1.037 -5.897 1.00 7.45 N ATOM 1638 CE2 TRP A 112 39.910 0.038 -5.154 1.00 7.60 C ATOM 1639 CE3 TRP A 112 39.822 0.681 -2.828 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 39.334 1.238 -5.555 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 39.250 1.874 -3.229 1.00 8.25 C ATOM 1642 CH2 TRP A 112 39.013 2.144 -4.582 1.00 8.69 C ATOM 0 H TRP A 112 42.380 -3.627 -0.856 1.00 6.15 H new ATOM 0 HA TRP A 112 43.286 -2.181 -3.098 1.00 6.12 H new ATOM 0 HB2 TRP A 112 41.060 -3.381 -2.699 1.00 6.03 H new ATOM 0 HB3 TRP A 112 40.592 -2.025 -1.693 1.00 6.03 H new ATOM 0 HD1 TRP A 112 41.237 -2.946 -5.367 1.00 6.79 H new ATOM 0 HE1 TRP A 112 40.272 -1.113 -6.913 1.00 7.45 H new ATOM 0 HE3 TRP A 112 40.003 0.483 -1.782 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 39.147 1.447 -6.598 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 38.981 2.610 -2.486 1.00 8.25 H new ATOM 0 HH2 TRP A 112 38.568 3.087 -4.863 1.00 8.69 H new ATOM 1653 N ILE A 113 42.446 -0.445 -0.438 1.00 4.92 N ATOM 1654 CA ILE A 113 42.577 0.838 0.224 1.00 4.71 C ATOM 1655 C ILE A 113 44.057 1.219 0.365 1.00 4.95 C ATOM 1656 O ILE A 113 44.421 2.384 0.262 1.00 5.25 O ATOM 1657 CB ILE A 113 41.888 0.821 1.610 1.00 4.41 C ATOM 1658 CG1 ILE A 113 40.390 0.518 1.461 1.00 4.22 C ATOM 1659 CG2 ILE A 113 42.083 2.152 2.317 1.00 4.75 C ATOM 1660 CD1 ILE A 113 39.627 0.529 2.761 1.00 4.30 C ATOM 0 H ILE A 113 42.009 -1.167 0.135 1.00 4.92 H new ATOM 0 HA ILE A 113 42.080 1.589 -0.391 1.00 4.71 H new ATOM 0 HB ILE A 113 42.346 0.035 2.211 1.00 4.41 H new ATOM 0 HG12 ILE A 113 39.948 1.251 0.786 1.00 4.22 H new ATOM 0 HG13 ILE A 113 40.273 -0.459 0.992 1.00 4.22 H new ATOM 0 HG21 ILE A 113 41.592 2.123 3.290 1.00 4.75 H new ATOM 0 HG22 ILE A 113 43.148 2.339 2.453 1.00 4.75 H new ATOM 0 HG23 ILE A 113 41.649 2.951 1.716 1.00 4.75 H new ATOM 0 HD11 ILE A 113 38.577 0.306 2.569 1.00 4.30 H new ATOM 0 HD12 ILE A 113 40.041 -0.224 3.432 1.00 4.30 H new ATOM 0 HD13 ILE A 113 39.710 1.513 3.223 1.00 4.30 H new ATOM 1672 N PHE A 114 44.904 0.215 0.570 1.00 5.07 N ATOM 1673 CA PHE A 114 46.347 0.421 0.678 1.00 5.37 C ATOM 1674 C PHE A 114 46.945 0.824 -0.663 1.00 5.85 C ATOM 1675 O PHE A 114 47.927 1.561 -0.723 1.00 6.10 O ATOM 1676 CB PHE A 114 47.021 -0.860 1.170 1.00 5.75 C ATOM 1677 CG PHE A 114 48.511 -0.749 1.325 1.00 6.09 C ATOM 1678 CD1 PHE A 114 49.060 -0.014 2.364 1.00 6.17 C ATOM 1679 CD2 PHE A 114 49.363 -1.381 0.433 1.00 6.53 C ATOM 1680 CE1 PHE A 114 50.429 0.088 2.510 1.00 6.62 C ATOM 1681 CE2 PHE A 114 50.734 -1.281 0.576 1.00 6.91 C ATOM 1682 CZ PHE A 114 51.267 -0.540 1.608 1.00 6.92 C ATOM 0 H PHE A 114 44.614 -0.758 0.666 1.00 5.07 H new ATOM 0 HA PHE A 114 46.520 1.226 1.392 1.00 5.37 H new ATOM 0 HB2 PHE A 114 46.587 -1.141 2.130 1.00 5.75 H new ATOM 0 HB3 PHE A 114 46.798 -1.666 0.471 1.00 5.75 H new ATOM 0 HD1 PHE A 114 48.409 0.485 3.067 1.00 6.17 H new ATOM 0 HD2 PHE A 114 48.951 -1.958 -0.382 1.00 6.53 H new ATOM 0 HE1 PHE A 114 50.845 0.658 3.328 1.00 6.62 H new ATOM 0 HE2 PHE A 114 51.388 -1.784 -0.121 1.00 6.91 H new ATOM 0 HZ PHE A 114 52.338 -0.450 1.712 1.00 6.92 H new