USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 912 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 20 LYS NZ :NH3+ 139:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -41:sc= 1.89 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 180:sc= 0.6 (180deg=0.6) USER MOD Set 2.2: A 83 SER OG : rot 180:sc= -1.7! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 21 THR OG1 : rot -13:sc= -0.763! USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= 0.488 (180deg=0.003) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= 0.167 (180deg=-2.04!) USER MOD Single : A 38 ASN : amide:sc= -0.0417 K(o=-0.042,f=-1.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0.742 K(o=0.74,f=-5.1!) USER MOD Single : A 44 TYR OH : rot -5:sc= 0.348 USER MOD Single : A 47 LYS NZ :NH3+ -123:sc= 0.382 (180deg=-0.238) USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 51 THR OG1 : rot -32:sc= 0.456 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.3 F(o=-2.5!,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00713) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -1.96! C(o=-2.5!,f=-2!) USER MOD Single : A 71 GLN : amide:sc= -0.0277 K(o=-0.028,f=-10!) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0658 (180deg=-0.447) USER MOD Single : A 81 CYS SG : rot -22:sc= -3.99! USER MOD Single : A 85 MET CE :methyl -145:sc= -4.51! (180deg=-7.42!) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc=-0.00868 (180deg=-0.147) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.07) USER MOD Single : A 91 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -148:sc= -0.338 (180deg=-1.07) USER MOD Single : A 99 TYR OH : rot -33:sc= 0.0779 USER MOD Single : A 101 TYR OH : rot 43:sc= 1.19 USER MOD Single : A 109 SER OG : rot 32:sc= 0.236 USER MOD Single : A 113 ASN : amide:sc= -0.042 K(o=-0.042,f=-1.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -1:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 14.973 -1.480 2.691 1.00 0.87 N ATOM 96 CA PHE A 7 16.113 -1.714 3.565 1.00 0.77 C ATOM 97 C PHE A 7 17.356 -1.010 3.040 1.00 0.72 C ATOM 98 O PHE A 7 17.454 -0.709 1.850 1.00 0.87 O ATOM 99 CB PHE A 7 16.379 -3.212 3.695 1.00 0.77 C ATOM 100 CG PHE A 7 15.185 -3.996 4.154 1.00 1.61 C ATOM 101 CD1 PHE A 7 14.726 -3.884 5.454 1.00 2.72 C ATOM 102 CD2 PHE A 7 14.520 -4.846 3.283 1.00 1.82 C ATOM 103 CE1 PHE A 7 13.624 -4.601 5.880 1.00 3.60 C ATOM 104 CE2 PHE A 7 13.418 -5.565 3.700 1.00 2.63 C ATOM 105 CZ PHE A 7 12.969 -5.442 5.001 1.00 3.44 C ATOM 0 HA PHE A 7 15.876 -1.306 4.547 1.00 0.77 H new ATOM 0 HB2 PHE A 7 16.709 -3.599 2.731 1.00 0.77 H new ATOM 0 HB3 PHE A 7 17.198 -3.368 4.398 1.00 0.77 H new ATOM 0 HD1 PHE A 7 15.235 -3.228 6.145 1.00 2.72 H new ATOM 0 HD2 PHE A 7 14.869 -4.947 2.266 1.00 1.82 H new ATOM 0 HE1 PHE A 7 13.276 -4.504 6.898 1.00 3.60 H new ATOM 0 HE2 PHE A 7 12.908 -6.222 3.011 1.00 2.63 H new ATOM 0 HZ PHE A 7 12.107 -6.003 5.330 1.00 3.44 H new ATOM 115 N GLU A 8 18.305 -0.767 3.930 1.00 0.72 N ATOM 116 CA GLU A 8 19.528 -0.064 3.577 1.00 0.76 C ATOM 117 C GLU A 8 20.741 -0.948 3.874 1.00 0.62 C ATOM 118 O GLU A 8 20.612 -2.009 4.490 1.00 0.61 O ATOM 119 CB GLU A 8 19.603 1.261 4.350 1.00 1.01 C ATOM 120 CG GLU A 8 20.546 2.286 3.739 1.00 1.20 C ATOM 121 CD GLU A 8 20.464 3.635 4.423 1.00 1.97 C ATOM 122 OE1 GLU A 8 19.501 4.385 4.160 1.00 2.22 O ATOM 123 OE2 GLU A 8 21.357 3.949 5.236 1.00 2.71 O ATOM 0 H GLU A 8 18.251 -1.049 4.909 1.00 0.72 H new ATOM 0 HA GLU A 8 19.527 0.161 2.511 1.00 0.76 H new ATOM 0 HB2 GLU A 8 18.604 1.692 4.408 1.00 1.01 H new ATOM 0 HB3 GLU A 8 19.921 1.055 5.372 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.569 1.914 3.799 1.00 1.20 H new ATOM 0 HG3 GLU A 8 20.312 2.405 2.681 1.00 1.20 H new ATOM 130 N LYS A 9 21.909 -0.510 3.427 1.00 0.60 N ATOM 131 CA LYS A 9 23.134 -1.286 3.559 1.00 0.53 C ATOM 132 C LYS A 9 23.853 -0.946 4.859 1.00 0.50 C ATOM 133 O LYS A 9 23.651 0.127 5.428 1.00 0.56 O ATOM 134 CB LYS A 9 24.087 -1.007 2.377 1.00 0.63 C ATOM 135 CG LYS A 9 23.569 -1.412 0.993 1.00 0.72 C ATOM 136 CD LYS A 9 22.413 -0.536 0.510 1.00 0.95 C ATOM 137 CE LYS A 9 22.772 0.949 0.506 1.00 1.49 C ATOM 138 NZ LYS A 9 23.836 1.285 -0.481 1.00 1.88 N ATOM 0 H LYS A 9 22.034 0.390 2.964 1.00 0.60 H new ATOM 0 HA LYS A 9 22.855 -2.340 3.563 1.00 0.53 H new ATOM 0 HB2 LYS A 9 24.314 0.059 2.362 1.00 0.63 H new ATOM 0 HB3 LYS A 9 25.026 -1.530 2.560 1.00 0.63 H new ATOM 0 HG2 LYS A 9 24.386 -1.355 0.274 1.00 0.72 H new ATOM 0 HG3 LYS A 9 23.242 -2.452 1.023 1.00 0.72 H new ATOM 0 HD2 LYS A 9 22.125 -0.841 -0.496 1.00 0.95 H new ATOM 0 HD3 LYS A 9 21.546 -0.696 1.151 1.00 0.95 H new ATOM 0 HE2 LYS A 9 21.879 1.533 0.283 1.00 1.49 H new ATOM 0 HE3 LYS A 9 23.103 1.240 1.503 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 24.038 2.304 -0.440 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 24.700 0.751 -0.256 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 23.514 1.035 -1.438 1.00 1.88 H new ATOM 152 N VAL A 10 24.683 -1.866 5.321 1.00 0.46 N ATOM 153 CA VAL A 10 25.557 -1.607 6.454 1.00 0.46 C ATOM 154 C VAL A 10 26.976 -1.381 5.954 1.00 0.48 C ATOM 155 O VAL A 10 27.592 -2.283 5.376 1.00 0.54 O ATOM 156 CB VAL A 10 25.544 -2.772 7.466 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.432 -2.461 8.664 1.00 0.54 C ATOM 158 CG2 VAL A 10 24.119 -3.078 7.914 1.00 0.59 C ATOM 0 H VAL A 10 24.770 -2.803 4.927 1.00 0.46 H new ATOM 0 HA VAL A 10 25.190 -0.718 6.966 1.00 0.46 H new ATOM 0 HB VAL A 10 25.944 -3.657 6.971 1.00 0.51 H new ATOM 0 HG11 VAL A 10 26.406 -3.297 9.363 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.456 -2.302 8.326 1.00 0.54 H new ATOM 0 HG13 VAL A 10 26.070 -1.561 9.161 1.00 0.54 H new ATOM 0 HG21 VAL A 10 24.131 -3.902 8.627 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.689 -2.195 8.387 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.517 -3.356 7.049 1.00 0.59 H new ATOM 168 N GLU A 11 27.487 -0.179 6.155 1.00 0.53 N ATOM 169 CA GLU A 11 28.804 0.181 5.648 1.00 0.63 C ATOM 170 C GLU A 11 29.894 -0.181 6.641 1.00 0.55 C ATOM 171 O GLU A 11 30.131 0.547 7.605 1.00 0.59 O ATOM 172 CB GLU A 11 28.876 1.669 5.326 1.00 0.88 C ATOM 173 CG GLU A 11 28.066 2.075 4.109 1.00 1.37 C ATOM 174 CD GLU A 11 28.253 3.534 3.765 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.412 3.980 3.655 1.00 2.02 O ATOM 176 OE2 GLU A 11 27.238 4.241 3.587 1.00 2.16 O ATOM 0 H GLU A 11 27.012 0.566 6.665 1.00 0.53 H new ATOM 0 HA GLU A 11 28.965 -0.387 4.732 1.00 0.63 H new ATOM 0 HB2 GLU A 11 28.525 2.235 6.189 1.00 0.88 H new ATOM 0 HB3 GLU A 11 29.918 1.946 5.166 1.00 0.88 H new ATOM 0 HG2 GLU A 11 28.359 1.461 3.257 1.00 1.37 H new ATOM 0 HG3 GLU A 11 27.010 1.879 4.295 1.00 1.37 H new ATOM 183 N LEU A 12 30.548 -1.312 6.390 1.00 0.52 N ATOM 184 CA LEU A 12 31.617 -1.810 7.249 1.00 0.51 C ATOM 185 C LEU A 12 31.163 -1.895 8.699 1.00 0.52 C ATOM 186 O LEU A 12 31.503 -1.046 9.524 1.00 0.61 O ATOM 187 CB LEU A 12 32.878 -0.945 7.136 1.00 0.57 C ATOM 188 CG LEU A 12 33.625 -1.047 5.804 1.00 0.88 C ATOM 189 CD1 LEU A 12 34.849 -0.146 5.818 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.022 -2.488 5.535 1.00 1.45 C ATOM 0 H LEU A 12 30.352 -1.908 5.586 1.00 0.52 H new ATOM 0 HA LEU A 12 31.864 -2.815 6.906 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.600 0.096 7.299 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.561 -1.222 7.939 1.00 0.57 H new ATOM 0 HG LEU A 12 32.964 -0.717 5.002 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.372 -0.228 4.865 1.00 1.35 H new ATOM 0 HD12 LEU A 12 34.539 0.887 5.974 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.516 -0.451 6.625 1.00 1.35 H new ATOM 0 HD21 LEU A 12 34.553 -2.548 4.585 1.00 1.45 H new ATOM 0 HD22 LEU A 12 34.671 -2.842 6.336 1.00 1.45 H new ATOM 0 HD23 LEU A 12 33.128 -3.110 5.491 1.00 1.45 H new ATOM 202 N THR A 13 30.356 -2.904 8.990 1.00 0.50 N ATOM 203 CA THR A 13 29.919 -3.161 10.350 1.00 0.56 C ATOM 204 C THR A 13 31.122 -3.410 11.255 1.00 0.53 C ATOM 205 O THR A 13 32.135 -3.956 10.817 1.00 0.50 O ATOM 206 CB THR A 13 28.953 -4.368 10.408 1.00 0.68 C ATOM 207 OG1 THR A 13 28.609 -4.673 11.765 1.00 0.78 O ATOM 208 CG2 THR A 13 29.565 -5.596 9.748 1.00 0.69 C ATOM 0 H THR A 13 29.991 -3.559 8.299 1.00 0.50 H new ATOM 0 HA THR A 13 29.384 -2.279 10.703 1.00 0.56 H new ATOM 0 HB THR A 13 28.051 -4.093 9.862 1.00 0.68 H new ATOM 0 HG1 THR A 13 27.996 -5.438 11.783 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.863 -6.428 9.805 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.784 -5.376 8.703 1.00 0.69 H new ATOM 0 HG23 THR A 13 30.487 -5.864 10.263 1.00 0.69 H new ATOM 216 N ALA A 14 31.012 -3.007 12.512 1.00 0.61 N ATOM 217 CA ALA A 14 32.089 -3.200 13.479 1.00 0.66 C ATOM 218 C ALA A 14 32.325 -4.683 13.749 1.00 0.69 C ATOM 219 O ALA A 14 33.285 -5.058 14.420 1.00 0.79 O ATOM 220 CB ALA A 14 31.770 -2.468 14.774 1.00 0.81 C ATOM 0 H ALA A 14 30.186 -2.543 12.890 1.00 0.61 H new ATOM 0 HA ALA A 14 33.004 -2.786 13.056 1.00 0.66 H new ATOM 0 HB1 ALA A 14 32.581 -2.620 15.487 1.00 0.81 H new ATOM 0 HB2 ALA A 14 31.659 -1.403 14.572 1.00 0.81 H new ATOM 0 HB3 ALA A 14 30.842 -2.857 15.192 1.00 0.81 H new ATOM 226 N ASP A 15 31.455 -5.513 13.186 1.00 0.71 N ATOM 227 CA ASP A 15 31.491 -6.950 13.391 1.00 0.85 C ATOM 228 C ASP A 15 32.444 -7.625 12.398 1.00 0.74 C ATOM 229 O ASP A 15 32.258 -8.782 12.034 1.00 0.86 O ATOM 230 CB ASP A 15 30.075 -7.515 13.244 1.00 1.08 C ATOM 231 CG ASP A 15 29.892 -8.842 13.952 1.00 1.69 C ATOM 232 OD1 ASP A 15 30.331 -8.962 15.116 1.00 1.87 O ATOM 233 OD2 ASP A 15 29.288 -9.760 13.362 1.00 2.40 O ATOM 0 H ASP A 15 30.702 -5.203 12.572 1.00 0.71 H new ATOM 0 HA ASP A 15 31.863 -7.155 14.395 1.00 0.85 H new ATOM 0 HB2 ASP A 15 29.359 -6.795 13.642 1.00 1.08 H new ATOM 0 HB3 ASP A 15 29.847 -7.640 12.185 1.00 1.08 H new ATOM 238 N GLY A 16 33.474 -6.899 11.971 1.00 0.64 N ATOM 239 CA GLY A 16 34.478 -7.481 11.093 1.00 0.68 C ATOM 240 C GLY A 16 34.644 -6.747 9.777 1.00 0.57 C ATOM 241 O GLY A 16 35.528 -7.080 8.991 1.00 0.63 O ATOM 0 H GLY A 16 33.632 -5.921 12.216 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.436 -7.496 11.613 1.00 0.68 H new ATOM 0 HA3 GLY A 16 34.210 -8.518 10.888 1.00 0.68 H new ATOM 245 N GLY A 17 33.802 -5.756 9.536 1.00 0.54 N ATOM 246 CA GLY A 17 33.961 -4.909 8.368 1.00 0.52 C ATOM 247 C GLY A 17 33.630 -5.597 7.055 1.00 0.46 C ATOM 248 O GLY A 17 34.522 -5.883 6.258 1.00 0.61 O ATOM 0 H GLY A 17 33.007 -5.520 10.130 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.322 -4.033 8.478 1.00 0.52 H new ATOM 0 HA3 GLY A 17 34.990 -4.551 8.329 1.00 0.52 H new ATOM 252 N VAL A 18 32.348 -5.859 6.828 1.00 0.36 N ATOM 253 CA VAL A 18 31.878 -6.391 5.551 1.00 0.34 C ATOM 254 C VAL A 18 30.580 -5.687 5.145 1.00 0.32 C ATOM 255 O VAL A 18 29.772 -5.320 6.006 1.00 0.36 O ATOM 256 CB VAL A 18 31.654 -7.928 5.599 1.00 0.40 C ATOM 257 CG1 VAL A 18 30.976 -8.420 4.330 1.00 0.47 C ATOM 258 CG2 VAL A 18 32.975 -8.659 5.799 1.00 0.49 C ATOM 0 H VAL A 18 31.610 -5.711 7.516 1.00 0.36 H new ATOM 0 HA VAL A 18 32.654 -6.200 4.810 1.00 0.34 H new ATOM 0 HB VAL A 18 31.002 -8.142 6.446 1.00 0.40 H new ATOM 0 HG11 VAL A 18 30.831 -9.499 4.390 1.00 0.47 H new ATOM 0 HG12 VAL A 18 30.009 -7.929 4.221 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.601 -8.185 3.469 1.00 0.47 H new ATOM 0 HG21 VAL A 18 32.795 -9.734 5.830 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.648 -8.427 4.973 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.429 -8.340 6.737 1.00 0.49 H new ATOM 268 N ILE A 19 30.399 -5.490 3.841 1.00 0.31 N ATOM 269 CA ILE A 19 29.210 -4.831 3.309 1.00 0.31 C ATOM 270 C ILE A 19 28.075 -5.835 3.113 1.00 0.30 C ATOM 271 O ILE A 19 28.144 -6.707 2.241 1.00 0.30 O ATOM 272 CB ILE A 19 29.514 -4.161 1.948 1.00 0.34 C ATOM 273 CG1 ILE A 19 30.690 -3.188 2.070 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.281 -3.438 1.422 1.00 0.36 C ATOM 275 CD1 ILE A 19 30.406 -1.977 2.930 1.00 0.47 C ATOM 0 H ILE A 19 31.068 -5.781 3.128 1.00 0.31 H new ATOM 0 HA ILE A 19 28.909 -4.073 4.032 1.00 0.31 H new ATOM 0 HB ILE A 19 29.789 -4.942 1.239 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.546 -3.721 2.484 1.00 0.41 H new ATOM 0 HG13 ILE A 19 30.975 -2.853 1.073 1.00 0.41 H new ATOM 0 HG21 ILE A 19 28.513 -2.973 0.464 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.468 -4.153 1.291 1.00 0.36 H new ATOM 0 HG23 ILE A 19 27.978 -2.671 2.134 1.00 0.36 H new ATOM 0 HD11 ILE A 19 31.290 -1.340 2.964 1.00 0.47 H new ATOM 0 HD12 ILE A 19 29.571 -1.418 2.507 1.00 0.47 H new ATOM 0 HD13 ILE A 19 30.152 -2.299 3.940 1.00 0.47 H new ATOM 287 N LYS A 20 27.037 -5.715 3.930 1.00 0.33 N ATOM 288 CA LYS A 20 25.888 -6.600 3.826 1.00 0.37 C ATOM 289 C LYS A 20 24.589 -5.823 4.023 1.00 0.33 C ATOM 290 O LYS A 20 24.551 -4.831 4.752 1.00 0.37 O ATOM 291 CB LYS A 20 25.993 -7.757 4.829 1.00 0.53 C ATOM 292 CG LYS A 20 25.970 -7.344 6.297 1.00 0.59 C ATOM 293 CD LYS A 20 26.328 -8.521 7.196 1.00 0.76 C ATOM 294 CE LYS A 20 26.223 -8.183 8.678 1.00 0.83 C ATOM 295 NZ LYS A 20 24.811 -8.159 9.157 1.00 1.34 N ATOM 0 H LYS A 20 26.968 -5.016 4.669 1.00 0.33 H new ATOM 0 HA LYS A 20 25.879 -7.027 2.823 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.170 -8.449 4.649 1.00 0.53 H new ATOM 0 HB3 LYS A 20 26.917 -8.303 4.635 1.00 0.53 H new ATOM 0 HG2 LYS A 20 26.674 -6.528 6.461 1.00 0.59 H new ATOM 0 HG3 LYS A 20 24.981 -6.969 6.558 1.00 0.59 H new ATOM 0 HD2 LYS A 20 25.668 -9.359 6.971 1.00 0.76 H new ATOM 0 HD3 LYS A 20 27.344 -8.847 6.973 1.00 0.76 H new ATOM 0 HE2 LYS A 20 26.787 -8.915 9.256 1.00 0.83 H new ATOM 0 HE3 LYS A 20 26.682 -7.211 8.860 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 24.755 -8.606 10.094 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 24.483 -7.174 9.223 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 24.209 -8.680 8.488 1.00 1.34 H new ATOM 309 N THR A 21 23.541 -6.261 3.337 1.00 0.34 N ATOM 310 CA THR A 21 22.243 -5.606 3.403 1.00 0.36 C ATOM 311 C THR A 21 21.224 -6.514 4.080 1.00 0.36 C ATOM 312 O THR A 21 21.211 -7.727 3.852 1.00 0.40 O ATOM 313 CB THR A 21 21.739 -5.240 1.989 1.00 0.44 C ATOM 314 OG1 THR A 21 22.758 -4.512 1.292 1.00 0.49 O ATOM 315 CG2 THR A 21 20.473 -4.397 2.056 1.00 0.50 C ATOM 0 H THR A 21 23.567 -7.075 2.723 1.00 0.34 H new ATOM 0 HA THR A 21 22.360 -4.692 3.986 1.00 0.36 H new ATOM 0 HB THR A 21 21.509 -6.164 1.459 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.450 -4.230 1.926 1.00 0.49 H new ATOM 0 HG21 THR A 21 20.143 -4.155 1.046 1.00 0.50 H new ATOM 0 HG22 THR A 21 19.691 -4.956 2.570 1.00 0.50 H new ATOM 0 HG23 THR A 21 20.678 -3.475 2.601 1.00 0.50 H new ATOM 323 N ILE A 22 20.387 -5.927 4.919 1.00 0.40 N ATOM 324 CA ILE A 22 19.345 -6.668 5.608 1.00 0.43 C ATOM 325 C ILE A 22 18.146 -6.891 4.679 1.00 0.44 C ATOM 326 O ILE A 22 17.737 -5.987 3.957 1.00 0.55 O ATOM 327 CB ILE A 22 18.905 -5.919 6.893 1.00 0.56 C ATOM 328 CG1 ILE A 22 17.835 -6.704 7.665 1.00 0.63 C ATOM 329 CG2 ILE A 22 18.403 -4.519 6.572 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.334 -8.007 8.245 1.00 0.66 C ATOM 0 H ILE A 22 20.410 -4.932 5.140 1.00 0.40 H new ATOM 0 HA ILE A 22 19.745 -7.640 5.897 1.00 0.43 H new ATOM 0 HB ILE A 22 19.786 -5.831 7.529 1.00 0.56 H new ATOM 0 HG12 ILE A 22 17.453 -6.080 8.473 1.00 0.63 H new ATOM 0 HG13 ILE A 22 16.998 -6.911 6.998 1.00 0.63 H new ATOM 0 HG21 ILE A 22 18.102 -4.020 7.493 1.00 0.67 H new ATOM 0 HG22 ILE A 22 19.199 -3.948 6.093 1.00 0.67 H new ATOM 0 HG23 ILE A 22 17.548 -4.584 5.899 1.00 0.67 H new ATOM 0 HD11 ILE A 22 17.522 -8.504 8.775 1.00 0.66 H new ATOM 0 HD12 ILE A 22 18.690 -8.651 7.441 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.151 -7.807 8.938 1.00 0.66 H new ATOM 342 N LEU A 23 17.616 -8.106 4.662 1.00 0.41 N ATOM 343 CA LEU A 23 16.456 -8.414 3.833 1.00 0.47 C ATOM 344 C LEU A 23 15.333 -8.988 4.681 1.00 0.50 C ATOM 345 O LEU A 23 14.326 -8.331 4.928 1.00 0.67 O ATOM 346 CB LEU A 23 16.810 -9.406 2.714 1.00 0.54 C ATOM 347 CG LEU A 23 17.372 -8.801 1.422 1.00 0.53 C ATOM 348 CD1 LEU A 23 16.417 -7.760 0.849 1.00 0.83 C ATOM 349 CD2 LEU A 23 18.753 -8.206 1.651 1.00 0.64 C ATOM 0 H LEU A 23 17.967 -8.892 5.209 1.00 0.41 H new ATOM 0 HA LEU A 23 16.127 -7.481 3.376 1.00 0.47 H new ATOM 0 HB2 LEU A 23 17.539 -10.116 3.104 1.00 0.54 H new ATOM 0 HB3 LEU A 23 15.914 -9.974 2.464 1.00 0.54 H new ATOM 0 HG LEU A 23 17.473 -9.604 0.692 1.00 0.53 H new ATOM 0 HD11 LEU A 23 16.838 -7.345 -0.067 1.00 0.83 H new ATOM 0 HD12 LEU A 23 15.458 -8.229 0.628 1.00 0.83 H new ATOM 0 HD13 LEU A 23 16.271 -6.961 1.576 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.127 -7.784 0.718 1.00 0.64 H new ATOM 0 HD22 LEU A 23 18.691 -7.421 2.405 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.433 -8.986 1.995 1.00 0.64 H new ATOM 361 N LYS A 24 15.525 -10.209 5.142 1.00 0.49 N ATOM 362 CA LYS A 24 14.513 -10.895 5.919 1.00 0.60 C ATOM 363 C LYS A 24 14.930 -10.914 7.383 1.00 0.60 C ATOM 364 O LYS A 24 15.732 -11.750 7.787 1.00 0.76 O ATOM 365 CB LYS A 24 14.336 -12.323 5.389 1.00 0.78 C ATOM 366 CG LYS A 24 12.893 -12.709 5.085 1.00 1.05 C ATOM 367 CD LYS A 24 12.101 -13.018 6.348 1.00 1.11 C ATOM 368 CE LYS A 24 12.696 -14.193 7.112 1.00 1.12 C ATOM 369 NZ LYS A 24 11.801 -14.658 8.206 1.00 1.56 N ATOM 0 H LYS A 24 16.378 -10.748 4.990 1.00 0.49 H new ATOM 0 HA LYS A 24 13.561 -10.372 5.830 1.00 0.60 H new ATOM 0 HB2 LYS A 24 14.928 -12.436 4.481 1.00 0.78 H new ATOM 0 HB3 LYS A 24 14.739 -13.022 6.122 1.00 0.78 H new ATOM 0 HG2 LYS A 24 12.408 -11.897 4.544 1.00 1.05 H new ATOM 0 HG3 LYS A 24 12.882 -13.580 4.429 1.00 1.05 H new ATOM 0 HD2 LYS A 24 12.083 -12.138 6.991 1.00 1.11 H new ATOM 0 HD3 LYS A 24 11.067 -13.241 6.084 1.00 1.11 H new ATOM 0 HE2 LYS A 24 12.883 -15.016 6.422 1.00 1.12 H new ATOM 0 HE3 LYS A 24 13.659 -13.902 7.531 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 12.365 -14.848 9.059 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 11.096 -13.922 8.414 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 11.316 -15.529 7.911 1.00 1.56 H new ATOM 383 N LYS A 25 14.402 -9.978 8.159 1.00 0.61 N ATOM 384 CA LYS A 25 14.787 -9.828 9.558 1.00 0.64 C ATOM 385 C LYS A 25 14.160 -10.921 10.413 1.00 0.72 C ATOM 386 O LYS A 25 12.992 -11.276 10.231 1.00 0.90 O ATOM 387 CB LYS A 25 14.376 -8.444 10.076 1.00 0.76 C ATOM 388 CG LYS A 25 14.681 -8.217 11.553 1.00 1.52 C ATOM 389 CD LYS A 25 14.401 -6.783 11.975 1.00 1.72 C ATOM 390 CE LYS A 25 15.341 -5.810 11.286 1.00 2.60 C ATOM 391 NZ LYS A 25 15.125 -4.413 11.736 1.00 2.95 N ATOM 0 H LYS A 25 13.702 -9.307 7.843 1.00 0.61 H new ATOM 0 HA LYS A 25 15.871 -9.922 9.627 1.00 0.64 H new ATOM 0 HB2 LYS A 25 14.888 -7.681 9.489 1.00 0.76 H new ATOM 0 HB3 LYS A 25 13.307 -8.309 9.912 1.00 0.76 H new ATOM 0 HG2 LYS A 25 14.080 -8.897 12.157 1.00 1.52 H new ATOM 0 HG3 LYS A 25 15.726 -8.456 11.749 1.00 1.52 H new ATOM 0 HD2 LYS A 25 13.369 -6.526 11.735 1.00 1.72 H new ATOM 0 HD3 LYS A 25 14.509 -6.692 13.056 1.00 1.72 H new ATOM 0 HE2 LYS A 25 16.373 -6.100 11.486 1.00 2.60 H new ATOM 0 HE3 LYS A 25 15.197 -5.869 10.207 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 15.787 -3.782 11.241 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 14.148 -4.126 11.522 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 15.288 -4.349 12.761 1.00 2.95 H new ATOM 405 N GLY A 26 14.941 -11.446 11.340 1.00 0.69 N ATOM 406 CA GLY A 26 14.452 -12.472 12.229 1.00 0.85 C ATOM 407 C GLY A 26 13.670 -11.886 13.381 1.00 0.88 C ATOM 408 O GLY A 26 14.095 -10.899 13.979 1.00 1.32 O ATOM 0 H GLY A 26 15.913 -11.177 11.493 1.00 0.69 H new ATOM 0 HA2 GLY A 26 13.819 -13.163 11.673 1.00 0.85 H new ATOM 0 HA3 GLY A 26 15.292 -13.049 12.615 1.00 0.85 H new ATOM 412 N ASP A 27 12.531 -12.496 13.685 1.00 0.84 N ATOM 413 CA ASP A 27 11.670 -12.038 14.778 1.00 1.01 C ATOM 414 C ASP A 27 12.441 -12.031 16.083 1.00 0.93 C ATOM 415 O ASP A 27 12.529 -11.012 16.767 1.00 1.24 O ATOM 416 CB ASP A 27 10.450 -12.949 14.915 1.00 1.33 C ATOM 417 CG ASP A 27 9.527 -12.870 13.723 1.00 2.08 C ATOM 418 OD1 ASP A 27 9.904 -13.351 12.638 1.00 2.77 O ATOM 419 OD2 ASP A 27 8.419 -12.307 13.866 1.00 2.38 O ATOM 0 H ASP A 27 12.177 -13.314 13.189 1.00 0.84 H new ATOM 0 HA ASP A 27 11.336 -11.026 14.549 1.00 1.01 H new ATOM 0 HB2 ASP A 27 10.783 -13.979 15.044 1.00 1.33 H new ATOM 0 HB3 ASP A 27 9.898 -12.678 15.815 1.00 1.33 H new ATOM 424 N GLU A 28 13.006 -13.180 16.414 1.00 0.91 N ATOM 425 CA GLU A 28 13.830 -13.319 17.594 1.00 0.91 C ATOM 426 C GLU A 28 14.888 -14.384 17.354 1.00 0.96 C ATOM 427 O GLU A 28 14.853 -15.088 16.341 1.00 1.22 O ATOM 428 CB GLU A 28 12.979 -13.670 18.818 1.00 1.11 C ATOM 429 CG GLU A 28 12.050 -14.851 18.612 1.00 1.59 C ATOM 430 CD GLU A 28 11.285 -15.200 19.868 1.00 2.09 C ATOM 431 OE1 GLU A 28 10.297 -14.501 20.180 1.00 2.64 O ATOM 432 OE2 GLU A 28 11.677 -16.163 20.556 1.00 2.56 O ATOM 0 H GLU A 28 12.904 -14.038 15.872 1.00 0.91 H new ATOM 0 HA GLU A 28 14.321 -12.366 17.794 1.00 0.91 H new ATOM 0 HB2 GLU A 28 13.641 -13.885 19.657 1.00 1.11 H new ATOM 0 HB3 GLU A 28 12.385 -12.799 19.095 1.00 1.11 H new ATOM 0 HG2 GLU A 28 11.346 -14.623 17.811 1.00 1.59 H new ATOM 0 HG3 GLU A 28 12.630 -15.716 18.290 1.00 1.59 H new ATOM 439 N GLY A 29 15.838 -14.483 18.268 1.00 0.88 N ATOM 440 CA GLY A 29 16.891 -15.467 18.138 1.00 1.04 C ATOM 441 C GLY A 29 18.007 -15.209 19.116 1.00 0.79 C ATOM 442 O GLY A 29 19.180 -15.297 18.768 1.00 0.90 O ATOM 0 H GLY A 29 15.899 -13.898 19.101 1.00 0.88 H new ATOM 0 HA2 GLY A 29 16.482 -16.464 18.304 1.00 1.04 H new ATOM 0 HA3 GLY A 29 17.284 -15.449 17.122 1.00 1.04 H new ATOM 446 N GLU A 30 17.628 -14.890 20.344 1.00 0.73 N ATOM 447 CA GLU A 30 18.582 -14.540 21.390 1.00 0.80 C ATOM 448 C GLU A 30 19.529 -15.703 21.684 1.00 0.78 C ATOM 449 O GLU A 30 20.722 -15.504 21.926 1.00 0.96 O ATOM 450 CB GLU A 30 17.816 -14.143 22.652 1.00 1.08 C ATOM 451 CG GLU A 30 18.689 -13.608 23.772 1.00 1.35 C ATOM 452 CD GLU A 30 17.880 -13.247 24.998 1.00 1.68 C ATOM 453 OE1 GLU A 30 17.375 -12.109 25.068 1.00 1.89 O ATOM 454 OE2 GLU A 30 17.742 -14.109 25.894 1.00 2.29 O ATOM 0 H GLU A 30 16.654 -14.866 20.645 1.00 0.73 H new ATOM 0 HA GLU A 30 19.188 -13.701 21.050 1.00 0.80 H new ATOM 0 HB2 GLU A 30 17.077 -13.386 22.391 1.00 1.08 H new ATOM 0 HB3 GLU A 30 17.268 -15.011 23.018 1.00 1.08 H new ATOM 0 HG2 GLU A 30 19.436 -14.356 24.038 1.00 1.35 H new ATOM 0 HG3 GLU A 30 19.229 -12.728 23.422 1.00 1.35 H new ATOM 461 N GLU A 31 18.986 -16.912 21.651 1.00 0.76 N ATOM 462 CA GLU A 31 19.764 -18.115 21.917 1.00 0.86 C ATOM 463 C GLU A 31 20.272 -18.725 20.609 1.00 0.78 C ATOM 464 O GLU A 31 21.244 -19.480 20.595 1.00 1.11 O ATOM 465 CB GLU A 31 18.903 -19.123 22.688 1.00 1.09 C ATOM 466 CG GLU A 31 19.644 -20.388 23.095 1.00 1.56 C ATOM 467 CD GLU A 31 18.812 -21.296 23.975 1.00 2.17 C ATOM 468 OE1 GLU A 31 17.815 -21.860 23.473 1.00 2.64 O ATOM 469 OE2 GLU A 31 19.146 -21.451 25.172 1.00 2.54 O ATOM 0 H GLU A 31 18.003 -17.087 21.441 1.00 0.76 H new ATOM 0 HA GLU A 31 20.631 -17.853 22.524 1.00 0.86 H new ATOM 0 HB2 GLU A 31 18.511 -18.640 23.583 1.00 1.09 H new ATOM 0 HB3 GLU A 31 18.046 -19.398 22.073 1.00 1.09 H new ATOM 0 HG2 GLU A 31 19.944 -20.932 22.200 1.00 1.56 H new ATOM 0 HG3 GLU A 31 20.558 -20.115 23.623 1.00 1.56 H new ATOM 476 N ASN A 32 19.621 -18.372 19.508 1.00 0.51 N ATOM 477 CA ASN A 32 19.976 -18.915 18.200 1.00 0.55 C ATOM 478 C ASN A 32 20.926 -17.976 17.459 1.00 0.49 C ATOM 479 O ASN A 32 20.499 -17.182 16.620 1.00 0.57 O ATOM 480 CB ASN A 32 18.719 -19.167 17.353 1.00 0.71 C ATOM 481 CG ASN A 32 17.970 -20.421 17.762 1.00 0.95 C ATOM 482 OD1 ASN A 32 18.251 -21.513 17.271 1.00 1.45 O ATOM 483 ND2 ASN A 32 16.990 -20.271 18.642 1.00 1.19 N ATOM 0 H ASN A 32 18.844 -17.712 19.493 1.00 0.51 H new ATOM 0 HA ASN A 32 20.484 -19.866 18.362 1.00 0.55 H new ATOM 0 HB2 ASN A 32 18.053 -18.309 17.438 1.00 0.71 H new ATOM 0 HB3 ASN A 32 19.004 -19.247 16.304 1.00 0.71 H new ATOM 0 HD21 ASN A 32 16.439 -21.078 18.934 1.00 1.19 H new ATOM 0 HD22 ASN A 32 16.787 -19.349 19.027 1.00 1.19 H new ATOM 490 N ILE A 33 22.210 -18.064 17.788 1.00 0.47 N ATOM 491 CA ILE A 33 23.222 -17.191 17.203 1.00 0.51 C ATOM 492 C ILE A 33 24.347 -18.000 16.549 1.00 0.44 C ATOM 493 O ILE A 33 25.006 -18.812 17.205 1.00 0.47 O ATOM 494 CB ILE A 33 23.824 -16.240 18.269 1.00 0.66 C ATOM 495 CG1 ILE A 33 22.755 -15.270 18.788 1.00 0.74 C ATOM 496 CG2 ILE A 33 25.009 -15.465 17.707 1.00 0.76 C ATOM 497 CD1 ILE A 33 22.249 -14.296 17.739 1.00 0.81 C ATOM 0 H ILE A 33 22.577 -18.736 18.462 1.00 0.47 H new ATOM 0 HA ILE A 33 22.725 -16.597 16.436 1.00 0.51 H new ATOM 0 HB ILE A 33 24.179 -16.850 19.099 1.00 0.66 H new ATOM 0 HG12 ILE A 33 21.913 -15.845 19.173 1.00 0.74 H new ATOM 0 HG13 ILE A 33 23.165 -14.706 19.626 1.00 0.74 H new ATOM 0 HG21 ILE A 33 25.411 -14.806 18.477 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.782 -16.164 17.388 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.683 -14.870 16.854 1.00 0.76 H new ATOM 0 HD11 ILE A 33 21.496 -13.644 18.181 1.00 0.81 H new ATOM 0 HD12 ILE A 33 23.080 -13.694 17.371 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.807 -14.850 16.911 1.00 0.81 H new ATOM 509 N PRO A 34 24.553 -17.801 15.238 1.00 0.46 N ATOM 510 CA PRO A 34 25.665 -18.401 14.502 1.00 0.44 C ATOM 511 C PRO A 34 26.982 -17.676 14.791 1.00 0.52 C ATOM 512 O PRO A 34 27.035 -16.444 14.772 1.00 0.75 O ATOM 513 CB PRO A 34 25.260 -18.206 13.043 1.00 0.51 C ATOM 514 CG PRO A 34 24.432 -16.970 13.056 1.00 0.54 C ATOM 515 CD PRO A 34 23.707 -16.967 14.373 1.00 0.62 C ATOM 0 HA PRO A 34 25.835 -19.443 14.773 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.132 -18.094 12.399 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.695 -19.060 12.669 1.00 0.51 H new ATOM 0 HG2 PRO A 34 25.056 -16.082 12.953 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.728 -16.964 12.224 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.601 -15.957 14.770 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.702 -17.379 14.278 1.00 0.62 H new ATOM 523 N LYS A 35 28.038 -18.429 15.077 1.00 0.49 N ATOM 524 CA LYS A 35 29.341 -17.843 15.386 1.00 0.60 C ATOM 525 C LYS A 35 30.477 -18.759 14.935 1.00 0.56 C ATOM 526 O LYS A 35 30.275 -19.960 14.733 1.00 0.58 O ATOM 527 CB LYS A 35 29.460 -17.561 16.892 1.00 0.83 C ATOM 528 CG LYS A 35 28.807 -16.259 17.340 1.00 1.17 C ATOM 529 CD LYS A 35 29.597 -15.053 16.857 1.00 1.46 C ATOM 530 CE LYS A 35 28.928 -13.741 17.241 1.00 1.98 C ATOM 531 NZ LYS A 35 27.695 -13.483 16.449 1.00 2.66 N ATOM 0 H LYS A 35 28.019 -19.449 15.102 1.00 0.49 H new ATOM 0 HA LYS A 35 29.422 -16.902 14.841 1.00 0.60 H new ATOM 0 HB2 LYS A 35 29.009 -18.388 17.441 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.516 -17.536 17.163 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.789 -16.208 16.954 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.737 -16.240 18.428 1.00 1.17 H new ATOM 0 HD2 LYS A 35 30.601 -15.085 17.279 1.00 1.46 H new ATOM 0 HD3 LYS A 35 29.705 -15.101 15.773 1.00 1.46 H new ATOM 0 HE2 LYS A 35 28.678 -13.760 18.302 1.00 1.98 H new ATOM 0 HE3 LYS A 35 29.630 -12.921 17.093 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 27.275 -12.579 16.746 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 27.935 -13.438 15.438 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 27.012 -14.251 16.609 1.00 2.66 H new ATOM 545 N LYS A 36 31.663 -18.175 14.759 1.00 0.67 N ATOM 546 CA LYS A 36 32.865 -18.937 14.428 1.00 0.82 C ATOM 547 C LYS A 36 33.110 -20.026 15.469 1.00 0.84 C ATOM 548 O LYS A 36 33.131 -19.760 16.672 1.00 0.91 O ATOM 549 CB LYS A 36 34.083 -18.006 14.341 1.00 1.09 C ATOM 550 CG LYS A 36 35.418 -18.742 14.344 1.00 1.26 C ATOM 551 CD LYS A 36 35.573 -19.642 13.127 1.00 1.36 C ATOM 552 CE LYS A 36 36.791 -20.545 13.259 1.00 2.14 C ATOM 553 NZ LYS A 36 38.041 -19.766 13.451 1.00 2.51 N ATOM 0 H LYS A 36 31.816 -17.170 14.841 1.00 0.67 H new ATOM 0 HA LYS A 36 32.716 -19.409 13.457 1.00 0.82 H new ATOM 0 HB2 LYS A 36 34.009 -17.409 13.432 1.00 1.09 H new ATOM 0 HB3 LYS A 36 34.059 -17.311 15.181 1.00 1.09 H new ATOM 0 HG2 LYS A 36 36.232 -18.017 14.365 1.00 1.26 H new ATOM 0 HG3 LYS A 36 35.500 -19.341 15.251 1.00 1.26 H new ATOM 0 HD2 LYS A 36 34.677 -20.251 13.006 1.00 1.36 H new ATOM 0 HD3 LYS A 36 35.666 -19.031 12.229 1.00 1.36 H new ATOM 0 HE2 LYS A 36 36.652 -21.221 14.102 1.00 2.14 H new ATOM 0 HE3 LYS A 36 36.883 -21.164 12.366 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 38.721 -20.011 12.703 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 37.827 -18.749 13.405 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 38.451 -19.991 14.380 1.00 2.51 H new ATOM 567 N GLY A 37 33.294 -21.248 14.995 1.00 0.92 N ATOM 568 CA GLY A 37 33.491 -22.375 15.881 1.00 1.04 C ATOM 569 C GLY A 37 32.264 -23.255 15.951 1.00 0.96 C ATOM 570 O GLY A 37 32.365 -24.452 16.208 1.00 1.12 O ATOM 0 H GLY A 37 33.310 -21.481 14.002 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.341 -22.964 15.537 1.00 1.04 H new ATOM 0 HA3 GLY A 37 33.737 -22.014 16.880 1.00 1.04 H new ATOM 574 N ASN A 38 31.107 -22.660 15.704 1.00 0.79 N ATOM 575 CA ASN A 38 29.858 -23.407 15.668 1.00 0.75 C ATOM 576 C ASN A 38 29.677 -24.034 14.296 1.00 0.72 C ATOM 577 O ASN A 38 29.992 -23.422 13.274 1.00 0.79 O ATOM 578 CB ASN A 38 28.660 -22.500 15.978 1.00 0.75 C ATOM 579 CG ASN A 38 28.637 -21.999 17.410 1.00 0.87 C ATOM 580 OD1 ASN A 38 29.674 -21.820 18.042 1.00 1.38 O ATOM 581 ND2 ASN A 38 27.443 -21.762 17.930 1.00 0.98 N ATOM 0 H ASN A 38 31.006 -21.661 15.525 1.00 0.79 H new ATOM 0 HA ASN A 38 29.905 -24.186 16.429 1.00 0.75 H new ATOM 0 HB2 ASN A 38 28.677 -21.645 15.302 1.00 0.75 H new ATOM 0 HB3 ASN A 38 27.739 -23.047 15.777 1.00 0.75 H new ATOM 0 HD21 ASN A 38 27.363 -21.419 18.887 1.00 0.98 H new ATOM 0 HD22 ASN A 38 26.603 -21.923 17.374 1.00 0.98 H new ATOM 588 N GLU A 39 29.181 -25.260 14.271 1.00 0.71 N ATOM 589 CA GLU A 39 28.941 -25.952 13.018 1.00 0.73 C ATOM 590 C GLU A 39 27.671 -25.408 12.377 1.00 0.63 C ATOM 591 O GLU A 39 26.558 -25.720 12.807 1.00 0.69 O ATOM 592 CB GLU A 39 28.844 -27.464 13.258 1.00 0.86 C ATOM 593 CG GLU A 39 28.978 -28.315 12.000 1.00 1.37 C ATOM 594 CD GLU A 39 27.672 -28.505 11.255 1.00 1.73 C ATOM 595 OE1 GLU A 39 26.853 -29.338 11.689 1.00 2.17 O ATOM 596 OE2 GLU A 39 27.454 -27.800 10.246 1.00 2.20 O ATOM 0 H GLU A 39 28.937 -25.795 15.104 1.00 0.71 H new ATOM 0 HA GLU A 39 29.774 -25.779 12.336 1.00 0.73 H new ATOM 0 HB2 GLU A 39 29.621 -27.757 13.964 1.00 0.86 H new ATOM 0 HB3 GLU A 39 27.886 -27.683 13.729 1.00 0.86 H new ATOM 0 HG2 GLU A 39 29.703 -27.850 11.332 1.00 1.37 H new ATOM 0 HG3 GLU A 39 29.377 -29.292 12.273 1.00 1.37 H new ATOM 603 N VAL A 40 27.849 -24.548 11.385 1.00 0.60 N ATOM 604 CA VAL A 40 26.726 -23.928 10.699 1.00 0.54 C ATOM 605 C VAL A 40 26.667 -24.354 9.234 1.00 0.54 C ATOM 606 O VAL A 40 27.682 -24.358 8.530 1.00 0.67 O ATOM 607 CB VAL A 40 26.792 -22.380 10.774 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.813 -21.895 12.213 1.00 0.61 C ATOM 609 CG2 VAL A 40 28.010 -21.837 10.052 1.00 0.67 C ATOM 0 H VAL A 40 28.764 -24.263 11.036 1.00 0.60 H new ATOM 0 HA VAL A 40 25.825 -24.268 11.210 1.00 0.54 H new ATOM 0 HB VAL A 40 25.893 -22.008 10.283 1.00 0.57 H new ATOM 0 HG11 VAL A 40 26.859 -20.806 12.229 1.00 0.61 H new ATOM 0 HG12 VAL A 40 25.908 -22.227 12.722 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.686 -22.303 12.722 1.00 0.61 H new ATOM 0 HG21 VAL A 40 28.022 -20.750 10.126 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.914 -22.242 10.508 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.971 -22.129 9.002 1.00 0.67 H new ATOM 619 N THR A 41 25.480 -24.714 8.783 1.00 0.46 N ATOM 620 CA THR A 41 25.272 -25.078 7.397 1.00 0.48 C ATOM 621 C THR A 41 24.591 -23.925 6.664 1.00 0.42 C ATOM 622 O THR A 41 23.406 -23.650 6.881 1.00 0.44 O ATOM 623 CB THR A 41 24.419 -26.355 7.283 1.00 0.56 C ATOM 624 OG1 THR A 41 24.943 -27.363 8.157 1.00 0.65 O ATOM 625 CG2 THR A 41 24.411 -26.878 5.854 1.00 0.63 C ATOM 0 H THR A 41 24.641 -24.762 9.362 1.00 0.46 H new ATOM 0 HA THR A 41 26.241 -25.279 6.941 1.00 0.48 H new ATOM 0 HB THR A 41 23.396 -26.111 7.569 1.00 0.56 H new ATOM 0 HG1 THR A 41 24.398 -28.174 8.084 1.00 0.65 H new ATOM 0 HG21 THR A 41 23.802 -27.780 5.800 1.00 0.63 H new ATOM 0 HG22 THR A 41 23.995 -26.119 5.191 1.00 0.63 H new ATOM 0 HG23 THR A 41 25.430 -27.110 5.546 1.00 0.63 H new ATOM 633 N VAL A 42 25.348 -23.234 5.823 1.00 0.40 N ATOM 634 CA VAL A 42 24.842 -22.043 5.154 1.00 0.42 C ATOM 635 C VAL A 42 24.844 -22.179 3.636 1.00 0.43 C ATOM 636 O VAL A 42 25.760 -22.749 3.041 1.00 0.49 O ATOM 637 CB VAL A 42 25.646 -20.790 5.555 1.00 0.46 C ATOM 638 CG1 VAL A 42 25.209 -20.286 6.917 1.00 0.80 C ATOM 639 CG2 VAL A 42 27.133 -21.088 5.577 1.00 0.87 C ATOM 0 H VAL A 42 26.311 -23.476 5.588 1.00 0.40 H new ATOM 0 HA VAL A 42 23.809 -21.931 5.483 1.00 0.42 H new ATOM 0 HB VAL A 42 25.451 -20.018 4.811 1.00 0.46 H new ATOM 0 HG11 VAL A 42 25.789 -19.401 7.181 1.00 0.80 H new ATOM 0 HG12 VAL A 42 24.150 -20.030 6.888 1.00 0.80 H new ATOM 0 HG13 VAL A 42 25.374 -21.064 7.663 1.00 0.80 H new ATOM 0 HG21 VAL A 42 27.680 -20.189 5.862 1.00 0.87 H new ATOM 0 HG22 VAL A 42 27.335 -21.880 6.298 1.00 0.87 H new ATOM 0 HG23 VAL A 42 27.454 -21.409 4.586 1.00 0.87 H new ATOM 649 N HIS A 43 23.799 -21.639 3.025 1.00 0.44 N ATOM 650 CA HIS A 43 23.640 -21.649 1.581 1.00 0.49 C ATOM 651 C HIS A 43 23.998 -20.274 1.016 1.00 0.47 C ATOM 652 O HIS A 43 23.809 -19.264 1.689 1.00 0.53 O ATOM 653 CB HIS A 43 22.191 -22.064 1.234 1.00 0.64 C ATOM 654 CG HIS A 43 21.529 -21.282 0.131 1.00 1.16 C ATOM 655 ND1 HIS A 43 21.443 -21.730 -1.171 1.00 2.00 N ATOM 656 CD2 HIS A 43 20.903 -20.083 0.153 1.00 2.04 C ATOM 657 CE1 HIS A 43 20.792 -20.837 -1.896 1.00 2.74 C ATOM 658 NE2 HIS A 43 20.457 -19.828 -1.117 1.00 2.75 N ATOM 0 H HIS A 43 23.035 -21.180 3.521 1.00 0.44 H new ATOM 0 HA HIS A 43 24.315 -22.374 1.126 1.00 0.49 H new ATOM 0 HB2 HIS A 43 22.192 -23.118 0.956 1.00 0.64 H new ATOM 0 HB3 HIS A 43 21.582 -21.973 2.134 1.00 0.64 H new ATOM 0 HD2 HIS A 43 20.778 -19.444 1.014 1.00 2.04 H new ATOM 0 HE1 HIS A 43 20.572 -20.920 -2.950 1.00 2.74 H new ATOM 0 HE2 HIS A 43 19.949 -18.994 -1.411 1.00 2.75 H new ATOM 667 N TYR A 44 24.523 -20.248 -0.205 1.00 0.44 N ATOM 668 CA TYR A 44 24.886 -18.996 -0.861 1.00 0.42 C ATOM 669 C TYR A 44 24.613 -19.077 -2.363 1.00 0.41 C ATOM 670 O TYR A 44 24.812 -20.125 -2.979 1.00 0.47 O ATOM 671 CB TYR A 44 26.365 -18.663 -0.606 1.00 0.46 C ATOM 672 CG TYR A 44 27.343 -19.615 -1.267 1.00 0.50 C ATOM 673 CD1 TYR A 44 27.362 -20.964 -0.938 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.252 -19.159 -2.216 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.254 -21.831 -1.532 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.148 -20.023 -2.817 1.00 0.68 C ATOM 677 CZ TYR A 44 29.144 -21.358 -2.472 1.00 0.66 C ATOM 678 OH TYR A 44 30.039 -22.218 -3.061 1.00 0.76 O ATOM 0 H TYR A 44 24.707 -21.082 -0.762 1.00 0.44 H new ATOM 0 HA TYR A 44 24.273 -18.199 -0.440 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.564 -17.652 -0.961 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.545 -18.664 0.469 1.00 0.46 H new ATOM 0 HD1 TYR A 44 26.665 -21.341 -0.204 1.00 0.52 H new ATOM 0 HD2 TYR A 44 28.258 -18.114 -2.487 1.00 0.60 H new ATOM 0 HE1 TYR A 44 28.255 -22.877 -1.262 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.847 -19.654 -3.553 1.00 0.68 H new ATOM 0 HH TYR A 44 29.969 -23.101 -2.642 1.00 0.76 H new ATOM 688 N VAL A 45 24.119 -17.982 -2.934 1.00 0.35 N ATOM 689 CA VAL A 45 23.868 -17.893 -4.373 1.00 0.36 C ATOM 690 C VAL A 45 23.591 -16.436 -4.751 1.00 0.30 C ATOM 691 O VAL A 45 23.273 -15.633 -3.883 1.00 0.30 O ATOM 692 CB VAL A 45 22.672 -18.790 -4.779 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.349 -18.202 -4.310 1.00 0.47 C ATOM 694 CG2 VAL A 45 22.656 -19.033 -6.276 1.00 0.49 C ATOM 0 H VAL A 45 23.882 -17.135 -2.418 1.00 0.35 H new ATOM 0 HA VAL A 45 24.750 -18.245 -4.908 1.00 0.36 H new ATOM 0 HB VAL A 45 22.801 -19.751 -4.281 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.532 -18.857 -4.612 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.357 -18.109 -3.224 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.209 -17.218 -4.758 1.00 0.47 H new ATOM 0 HG21 VAL A 45 21.806 -19.665 -6.533 1.00 0.49 H new ATOM 0 HG22 VAL A 45 22.570 -18.080 -6.798 1.00 0.49 H new ATOM 0 HG23 VAL A 45 23.580 -19.528 -6.574 1.00 0.49 H new ATOM 704 N GLY A 46 23.722 -16.075 -6.023 1.00 0.31 N ATOM 705 CA GLY A 46 23.432 -14.705 -6.414 1.00 0.30 C ATOM 706 C GLY A 46 23.824 -14.396 -7.841 1.00 0.30 C ATOM 707 O GLY A 46 23.607 -15.206 -8.742 1.00 0.36 O ATOM 0 H GLY A 46 24.018 -16.692 -6.779 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.366 -14.516 -6.288 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.957 -14.024 -5.744 1.00 0.30 H new ATOM 711 N LYS A 47 24.412 -13.222 -8.046 1.00 0.27 N ATOM 712 CA LYS A 47 24.805 -12.783 -9.378 1.00 0.29 C ATOM 713 C LYS A 47 26.118 -12.005 -9.319 1.00 0.25 C ATOM 714 O LYS A 47 26.623 -11.697 -8.237 1.00 0.26 O ATOM 715 CB LYS A 47 23.699 -11.926 -10.017 1.00 0.36 C ATOM 716 CG LYS A 47 23.445 -10.601 -9.311 1.00 0.42 C ATOM 717 CD LYS A 47 22.250 -9.870 -9.908 1.00 0.66 C ATOM 718 CE LYS A 47 22.039 -8.503 -9.266 1.00 0.83 C ATOM 719 NZ LYS A 47 23.072 -7.515 -9.690 1.00 1.43 N ATOM 0 H LYS A 47 24.627 -12.556 -7.304 1.00 0.27 H new ATOM 0 HA LYS A 47 24.954 -13.666 -9.999 1.00 0.29 H new ATOM 0 HB2 LYS A 47 23.965 -11.726 -11.055 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.773 -12.500 -10.030 1.00 0.36 H new ATOM 0 HG2 LYS A 47 23.270 -10.781 -8.250 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.332 -9.972 -9.386 1.00 0.42 H new ATOM 0 HD2 LYS A 47 22.398 -9.748 -10.981 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.353 -10.475 -9.777 1.00 0.66 H new ATOM 0 HE2 LYS A 47 21.050 -8.128 -9.531 1.00 0.83 H new ATOM 0 HE3 LYS A 47 22.061 -8.606 -8.181 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 23.556 -7.137 -8.851 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 23.766 -7.982 -10.308 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 22.616 -6.736 -10.207 1.00 1.43 H new ATOM 733 N LEU A 48 26.668 -11.699 -10.484 1.00 0.27 N ATOM 734 CA LEU A 48 27.927 -10.974 -10.569 1.00 0.26 C ATOM 735 C LEU A 48 27.663 -9.482 -10.736 1.00 0.25 C ATOM 736 O LEU A 48 27.329 -9.018 -11.825 1.00 0.27 O ATOM 737 CB LEU A 48 28.768 -11.513 -11.732 1.00 0.29 C ATOM 738 CG LEU A 48 30.120 -10.824 -11.962 1.00 0.32 C ATOM 739 CD1 LEU A 48 30.959 -10.847 -10.698 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.867 -11.503 -13.099 1.00 0.38 C ATOM 0 H LEU A 48 26.261 -11.942 -11.387 1.00 0.27 H new ATOM 0 HA LEU A 48 28.486 -11.121 -9.645 1.00 0.26 H new ATOM 0 HB2 LEU A 48 28.948 -12.575 -11.562 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.181 -11.431 -12.647 1.00 0.29 H new ATOM 0 HG LEU A 48 29.933 -9.784 -12.230 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.912 -10.353 -10.885 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.430 -10.325 -9.901 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.138 -11.880 -10.399 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.825 -11.006 -13.253 1.00 0.38 H new ATOM 0 HD22 LEU A 48 31.038 -12.550 -12.848 1.00 0.38 H new ATOM 0 HD23 LEU A 48 30.275 -11.441 -14.012 1.00 0.38 H new ATOM 752 N GLU A 49 27.810 -8.743 -9.640 1.00 0.29 N ATOM 753 CA GLU A 49 27.556 -7.303 -9.627 1.00 0.36 C ATOM 754 C GLU A 49 28.498 -6.585 -10.583 1.00 0.34 C ATOM 755 O GLU A 49 28.128 -5.612 -11.236 1.00 0.41 O ATOM 756 CB GLU A 49 27.767 -6.748 -8.216 1.00 0.50 C ATOM 757 CG GLU A 49 27.269 -5.325 -8.031 1.00 0.63 C ATOM 758 CD GLU A 49 25.762 -5.237 -7.897 1.00 1.20 C ATOM 759 OE1 GLU A 49 25.055 -5.758 -8.780 1.00 1.75 O ATOM 760 OE2 GLU A 49 25.273 -4.638 -6.917 1.00 1.96 O ATOM 0 H GLU A 49 28.107 -9.121 -8.740 1.00 0.29 H new ATOM 0 HA GLU A 49 26.526 -7.136 -9.942 1.00 0.36 H new ATOM 0 HB2 GLU A 49 27.258 -7.396 -7.502 1.00 0.50 H new ATOM 0 HB3 GLU A 49 28.830 -6.784 -7.978 1.00 0.50 H new ATOM 0 HG2 GLU A 49 27.733 -4.896 -7.143 1.00 0.63 H new ATOM 0 HG3 GLU A 49 27.588 -4.721 -8.880 1.00 0.63 H new ATOM 767 N SER A 50 29.714 -7.102 -10.662 1.00 0.33 N ATOM 768 CA SER A 50 30.784 -6.482 -11.431 1.00 0.40 C ATOM 769 C SER A 50 30.394 -6.245 -12.899 1.00 0.45 C ATOM 770 O SER A 50 30.841 -5.276 -13.514 1.00 0.55 O ATOM 771 CB SER A 50 32.038 -7.351 -11.348 1.00 0.46 C ATOM 772 OG SER A 50 33.156 -6.705 -11.922 1.00 0.67 O ATOM 0 H SER A 50 29.988 -7.966 -10.194 1.00 0.33 H new ATOM 0 HA SER A 50 30.980 -5.502 -10.996 1.00 0.40 H new ATOM 0 HB2 SER A 50 32.249 -7.588 -10.305 1.00 0.46 H new ATOM 0 HB3 SER A 50 31.861 -8.297 -11.860 1.00 0.46 H new ATOM 0 HG SER A 50 33.840 -7.371 -12.144 1.00 0.67 H new ATOM 778 N THR A 51 29.560 -7.114 -13.456 1.00 0.44 N ATOM 779 CA THR A 51 29.144 -6.975 -14.848 1.00 0.53 C ATOM 780 C THR A 51 27.618 -6.900 -14.959 1.00 0.54 C ATOM 781 O THR A 51 27.071 -6.688 -16.046 1.00 0.73 O ATOM 782 CB THR A 51 29.689 -8.139 -15.716 1.00 0.59 C ATOM 783 OG1 THR A 51 29.322 -7.951 -17.090 1.00 0.72 O ATOM 784 CG2 THR A 51 29.161 -9.478 -15.231 1.00 0.53 C ATOM 0 H THR A 51 29.160 -7.917 -12.971 1.00 0.44 H new ATOM 0 HA THR A 51 29.565 -6.043 -15.224 1.00 0.53 H new ATOM 0 HB THR A 51 30.775 -8.139 -15.626 1.00 0.59 H new ATOM 0 HG1 THR A 51 28.458 -7.491 -17.138 1.00 0.72 H new ATOM 0 HG21 THR A 51 29.560 -10.275 -15.858 1.00 0.53 H new ATOM 0 HG22 THR A 51 29.471 -9.639 -14.199 1.00 0.53 H new ATOM 0 HG23 THR A 51 28.072 -9.482 -15.288 1.00 0.53 H new ATOM 792 N GLY A 52 26.939 -7.054 -13.827 1.00 0.48 N ATOM 793 CA GLY A 52 25.488 -6.992 -13.806 1.00 0.51 C ATOM 794 C GLY A 52 24.828 -8.196 -14.458 1.00 0.54 C ATOM 795 O GLY A 52 23.694 -8.110 -14.934 1.00 0.78 O ATOM 0 H GLY A 52 27.371 -7.222 -12.918 1.00 0.48 H new ATOM 0 HA2 GLY A 52 25.149 -6.915 -12.773 1.00 0.51 H new ATOM 0 HA3 GLY A 52 25.162 -6.086 -14.317 1.00 0.51 H new ATOM 799 N LYS A 53 25.526 -9.323 -14.466 1.00 0.44 N ATOM 800 CA LYS A 53 24.997 -10.541 -15.059 1.00 0.49 C ATOM 801 C LYS A 53 24.656 -11.560 -13.978 1.00 0.41 C ATOM 802 O LYS A 53 25.387 -11.718 -12.995 1.00 0.38 O ATOM 803 CB LYS A 53 25.993 -11.144 -16.053 1.00 0.60 C ATOM 804 CG LYS A 53 26.379 -10.209 -17.197 1.00 0.84 C ATOM 805 CD LYS A 53 25.172 -9.796 -18.027 1.00 1.47 C ATOM 806 CE LYS A 53 25.581 -8.947 -19.224 1.00 2.09 C ATOM 807 NZ LYS A 53 24.406 -8.503 -20.025 1.00 2.89 N ATOM 0 H LYS A 53 26.460 -9.418 -14.068 1.00 0.44 H new ATOM 0 HA LYS A 53 24.086 -10.282 -15.598 1.00 0.49 H new ATOM 0 HB2 LYS A 53 26.896 -11.434 -15.515 1.00 0.60 H new ATOM 0 HB3 LYS A 53 25.565 -12.055 -16.472 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.862 -9.320 -16.791 1.00 0.84 H new ATOM 0 HG3 LYS A 53 27.109 -10.703 -17.839 1.00 0.84 H new ATOM 0 HD2 LYS A 53 24.646 -10.686 -18.373 1.00 1.47 H new ATOM 0 HD3 LYS A 53 24.475 -9.236 -17.404 1.00 1.47 H new ATOM 0 HE2 LYS A 53 26.133 -8.074 -18.877 1.00 2.09 H new ATOM 0 HE3 LYS A 53 26.257 -9.519 -19.860 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 24.731 -7.929 -20.829 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 23.893 -9.335 -20.379 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 23.773 -7.935 -19.427 1.00 2.89 H new ATOM 821 N VAL A 54 23.543 -12.246 -14.163 1.00 0.44 N ATOM 822 CA VAL A 54 23.089 -13.241 -13.206 1.00 0.44 C ATOM 823 C VAL A 54 23.772 -14.585 -13.482 1.00 0.46 C ATOM 824 O VAL A 54 24.297 -14.802 -14.575 1.00 0.51 O ATOM 825 CB VAL A 54 21.548 -13.390 -13.264 1.00 0.52 C ATOM 826 CG1 VAL A 54 21.112 -14.088 -14.542 1.00 0.59 C ATOM 827 CG2 VAL A 54 21.019 -14.117 -12.039 1.00 0.57 C ATOM 0 H VAL A 54 22.933 -12.132 -14.972 1.00 0.44 H new ATOM 0 HA VAL A 54 23.360 -12.911 -12.203 1.00 0.44 H new ATOM 0 HB VAL A 54 21.120 -12.388 -13.267 1.00 0.52 H new ATOM 0 HG11 VAL A 54 20.026 -14.178 -14.555 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.438 -13.506 -15.404 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.559 -15.081 -14.585 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.935 -14.206 -12.109 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.462 -15.111 -11.986 1.00 0.57 H new ATOM 0 HG23 VAL A 54 21.280 -13.556 -11.142 1.00 0.57 H new ATOM 837 N PHE A 55 23.792 -15.465 -12.489 1.00 0.48 N ATOM 838 CA PHE A 55 24.391 -16.786 -12.650 1.00 0.54 C ATOM 839 C PHE A 55 23.484 -17.673 -13.490 1.00 0.61 C ATOM 840 O PHE A 55 22.274 -17.738 -13.257 1.00 0.78 O ATOM 841 CB PHE A 55 24.625 -17.457 -11.289 1.00 0.59 C ATOM 842 CG PHE A 55 25.769 -16.897 -10.475 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.339 -15.669 -10.775 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.266 -17.609 -9.391 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.379 -15.166 -10.014 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.306 -17.111 -8.630 1.00 0.70 C ATOM 847 CZ PHE A 55 27.864 -15.889 -8.941 1.00 0.56 C ATOM 0 H PHE A 55 23.401 -15.289 -11.564 1.00 0.48 H new ATOM 0 HA PHE A 55 25.351 -16.657 -13.150 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.710 -17.376 -10.702 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.805 -18.519 -11.454 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.967 -15.098 -11.613 1.00 0.52 H new ATOM 0 HD2 PHE A 55 25.833 -18.566 -9.139 1.00 0.58 H new ATOM 0 HE1 PHE A 55 27.812 -14.207 -10.259 1.00 0.46 H new ATOM 0 HE2 PHE A 55 27.682 -17.679 -7.792 1.00 0.70 H new ATOM 0 HZ PHE A 55 28.678 -15.498 -8.348 1.00 0.56 H new ATOM 857 N ASP A 56 24.067 -18.326 -14.483 1.00 0.61 N ATOM 858 CA ASP A 56 23.343 -19.283 -15.304 1.00 0.71 C ATOM 859 C ASP A 56 24.304 -20.348 -15.811 1.00 0.70 C ATOM 860 O ASP A 56 24.954 -20.184 -16.844 1.00 0.87 O ATOM 861 CB ASP A 56 22.656 -18.581 -16.477 1.00 0.91 C ATOM 862 CG ASP A 56 21.718 -19.500 -17.237 1.00 1.59 C ATOM 863 OD1 ASP A 56 20.569 -19.683 -16.782 1.00 2.18 O ATOM 864 OD2 ASP A 56 22.111 -20.019 -18.306 1.00 2.14 O ATOM 0 H ASP A 56 25.047 -18.209 -14.741 1.00 0.61 H new ATOM 0 HA ASP A 56 22.571 -19.756 -14.697 1.00 0.71 H new ATOM 0 HB2 ASP A 56 22.096 -17.723 -16.105 1.00 0.91 H new ATOM 0 HB3 ASP A 56 23.414 -18.196 -17.159 1.00 0.91 H new ATOM 869 N SER A 57 24.448 -21.410 -15.038 1.00 0.61 N ATOM 870 CA SER A 57 25.376 -22.473 -15.371 1.00 0.67 C ATOM 871 C SER A 57 24.750 -23.844 -15.131 1.00 0.68 C ATOM 872 O SER A 57 23.690 -23.956 -14.510 1.00 0.75 O ATOM 873 CB SER A 57 26.648 -22.316 -14.534 1.00 0.75 C ATOM 874 OG SER A 57 27.254 -21.051 -14.757 1.00 1.24 O ATOM 0 H SER A 57 23.931 -21.558 -14.171 1.00 0.61 H new ATOM 0 HA SER A 57 25.625 -22.402 -16.430 1.00 0.67 H new ATOM 0 HB2 SER A 57 26.407 -22.426 -13.477 1.00 0.75 H new ATOM 0 HB3 SER A 57 27.352 -23.109 -14.785 1.00 0.75 H new ATOM 0 HG SER A 57 28.063 -20.975 -14.210 1.00 1.24 H new ATOM 880 N SER A 58 25.408 -24.886 -15.627 1.00 0.75 N ATOM 881 CA SER A 58 24.934 -26.254 -15.454 1.00 0.82 C ATOM 882 C SER A 58 24.897 -26.649 -13.978 1.00 0.70 C ATOM 883 O SER A 58 24.077 -27.464 -13.566 1.00 0.70 O ATOM 884 CB SER A 58 25.838 -27.222 -16.223 1.00 1.03 C ATOM 885 OG SER A 58 25.926 -26.863 -17.592 1.00 1.49 O ATOM 0 H SER A 58 26.277 -24.808 -16.155 1.00 0.75 H new ATOM 0 HA SER A 58 23.919 -26.308 -15.847 1.00 0.82 H new ATOM 0 HB2 SER A 58 26.834 -27.224 -15.780 1.00 1.03 H new ATOM 0 HB3 SER A 58 25.448 -28.236 -16.134 1.00 1.03 H new ATOM 0 HG SER A 58 26.510 -27.496 -18.059 1.00 1.49 H new ATOM 891 N PHE A 59 25.777 -26.057 -13.182 1.00 0.69 N ATOM 892 CA PHE A 59 25.924 -26.447 -11.786 1.00 0.70 C ATOM 893 C PHE A 59 25.054 -25.603 -10.858 1.00 0.64 C ATOM 894 O PHE A 59 24.380 -26.143 -9.986 1.00 0.67 O ATOM 895 CB PHE A 59 27.390 -26.340 -11.361 1.00 0.85 C ATOM 896 CG PHE A 59 28.296 -27.292 -12.091 1.00 1.08 C ATOM 897 CD1 PHE A 59 28.429 -28.606 -11.670 1.00 1.28 C ATOM 898 CD2 PHE A 59 29.019 -26.872 -13.198 1.00 1.39 C ATOM 899 CE1 PHE A 59 29.264 -29.482 -12.337 1.00 1.58 C ATOM 900 CE2 PHE A 59 29.856 -27.745 -13.869 1.00 1.77 C ATOM 901 CZ PHE A 59 29.971 -29.055 -13.443 1.00 1.80 C ATOM 0 H PHE A 59 26.400 -25.305 -13.479 1.00 0.69 H new ATOM 0 HA PHE A 59 25.590 -27.481 -11.702 1.00 0.70 H new ATOM 0 HB2 PHE A 59 27.736 -25.320 -11.530 1.00 0.85 H new ATOM 0 HB3 PHE A 59 27.464 -26.529 -10.290 1.00 0.85 H new ATOM 0 HD1 PHE A 59 27.873 -28.949 -10.810 1.00 1.28 H new ATOM 0 HD2 PHE A 59 28.927 -25.852 -13.540 1.00 1.39 H new ATOM 0 HE1 PHE A 59 29.363 -30.501 -11.993 1.00 1.58 H new ATOM 0 HE2 PHE A 59 30.419 -27.404 -14.725 1.00 1.77 H new ATOM 0 HZ PHE A 59 30.612 -29.743 -13.974 1.00 1.80 H new ATOM 911 N ASP A 60 25.045 -24.289 -11.071 1.00 0.66 N ATOM 912 CA ASP A 60 24.436 -23.357 -10.110 1.00 0.72 C ATOM 913 C ASP A 60 22.936 -23.613 -9.935 1.00 0.71 C ATOM 914 O ASP A 60 22.388 -23.417 -8.849 1.00 0.86 O ATOM 915 CB ASP A 60 24.676 -21.899 -10.539 1.00 0.83 C ATOM 916 CG ASP A 60 23.556 -21.338 -11.395 1.00 1.54 C ATOM 917 OD1 ASP A 60 23.502 -21.674 -12.593 1.00 1.89 O ATOM 918 OD2 ASP A 60 22.725 -20.568 -10.863 1.00 2.19 O ATOM 0 H ASP A 60 25.449 -23.842 -11.894 1.00 0.66 H new ATOM 0 HA ASP A 60 24.918 -23.530 -9.147 1.00 0.72 H new ATOM 0 HB2 ASP A 60 24.791 -21.279 -9.650 1.00 0.83 H new ATOM 0 HB3 ASP A 60 25.613 -21.839 -11.092 1.00 0.83 H new ATOM 923 N ARG A 61 22.277 -24.056 -10.993 1.00 0.68 N ATOM 924 CA ARG A 61 20.844 -24.296 -10.932 1.00 0.80 C ATOM 925 C ARG A 61 20.542 -25.755 -10.599 1.00 0.75 C ATOM 926 O ARG A 61 19.415 -26.101 -10.250 1.00 0.92 O ATOM 927 CB ARG A 61 20.180 -23.884 -12.259 1.00 0.97 C ATOM 928 CG ARG A 61 20.607 -24.711 -13.471 1.00 1.23 C ATOM 929 CD ARG A 61 19.732 -25.943 -13.638 1.00 1.65 C ATOM 930 NE ARG A 61 20.257 -26.873 -14.636 1.00 1.75 N ATOM 931 CZ ARG A 61 19.908 -28.159 -14.717 1.00 2.15 C ATOM 932 NH1 ARG A 61 19.020 -28.677 -13.873 1.00 2.58 N ATOM 933 NH2 ARG A 61 20.462 -28.927 -15.643 1.00 2.78 N ATOM 0 H ARG A 61 22.706 -24.255 -11.897 1.00 0.68 H new ATOM 0 HA ARG A 61 20.428 -23.685 -10.131 1.00 0.80 H new ATOM 0 HB2 ARG A 61 19.098 -23.960 -12.147 1.00 0.97 H new ATOM 0 HB3 ARG A 61 20.407 -22.836 -12.453 1.00 0.97 H new ATOM 0 HG2 ARG A 61 20.550 -24.098 -14.370 1.00 1.23 H new ATOM 0 HG3 ARG A 61 21.648 -25.015 -13.358 1.00 1.23 H new ATOM 0 HD2 ARG A 61 19.645 -26.455 -12.680 1.00 1.65 H new ATOM 0 HD3 ARG A 61 18.727 -25.634 -13.927 1.00 1.65 H new ATOM 0 HE ARG A 61 20.932 -26.517 -15.313 1.00 1.75 H new ATOM 0 HH11 ARG A 61 18.597 -28.090 -13.154 1.00 2.58 H new ATOM 0 HH12 ARG A 61 18.762 -29.661 -13.945 1.00 2.58 H new ATOM 0 HH21 ARG A 61 21.149 -28.535 -16.287 1.00 2.78 H new ATOM 0 HH22 ARG A 61 20.202 -29.911 -15.712 1.00 2.78 H new ATOM 947 N ASN A 62 21.553 -26.612 -10.705 1.00 0.64 N ATOM 948 CA ASN A 62 21.349 -28.050 -10.540 1.00 0.68 C ATOM 949 C ASN A 62 21.766 -28.517 -9.149 1.00 0.73 C ATOM 950 O ASN A 62 21.052 -29.282 -8.499 1.00 0.89 O ATOM 951 CB ASN A 62 22.122 -28.821 -11.617 1.00 0.71 C ATOM 952 CG ASN A 62 21.857 -30.315 -11.588 1.00 0.83 C ATOM 953 OD1 ASN A 62 22.743 -31.065 -10.952 1.00 0.93 O flip ATOM 954 ND2 ASN A 62 20.880 -30.792 -12.161 1.00 1.10 N flip ATOM 0 H ASN A 62 22.516 -26.340 -10.903 1.00 0.64 H new ATOM 0 HA ASN A 62 20.284 -28.253 -10.652 1.00 0.68 H new ATOM 0 HB2 ASN A 62 21.853 -28.430 -12.598 1.00 0.71 H new ATOM 0 HB3 ASN A 62 23.190 -28.645 -11.485 1.00 0.71 H new ATOM 0 HD21 ASN A 62 20.220 -30.179 -12.640 1.00 1.10 H new ATOM 0 HD22 ASN A 62 20.729 -31.801 -12.158 1.00 1.10 H new ATOM 961 N VAL A 63 22.920 -28.051 -8.691 1.00 0.68 N ATOM 962 CA VAL A 63 23.446 -28.465 -7.398 1.00 0.83 C ATOM 963 C VAL A 63 23.843 -27.262 -6.533 1.00 0.62 C ATOM 964 O VAL A 63 24.906 -26.666 -6.704 1.00 0.64 O ATOM 965 CB VAL A 63 24.653 -29.428 -7.546 1.00 1.16 C ATOM 966 CG1 VAL A 63 24.180 -30.837 -7.912 1.00 1.76 C ATOM 967 CG2 VAL A 63 25.645 -28.913 -8.589 1.00 2.03 C ATOM 0 H VAL A 63 23.509 -27.387 -9.195 1.00 0.68 H new ATOM 0 HA VAL A 63 22.639 -29.000 -6.897 1.00 0.83 H new ATOM 0 HB VAL A 63 25.163 -29.471 -6.584 1.00 1.16 H new ATOM 0 HG11 VAL A 63 25.042 -31.496 -8.011 1.00 1.76 H new ATOM 0 HG12 VAL A 63 23.522 -31.215 -7.129 1.00 1.76 H new ATOM 0 HG13 VAL A 63 23.638 -30.805 -8.857 1.00 1.76 H new ATOM 0 HG21 VAL A 63 26.480 -29.608 -8.671 1.00 2.03 H new ATOM 0 HG22 VAL A 63 25.147 -28.829 -9.555 1.00 2.03 H new ATOM 0 HG23 VAL A 63 26.016 -27.934 -8.286 1.00 2.03 H new ATOM 977 N PRO A 64 22.965 -26.867 -5.605 1.00 0.91 N ATOM 978 CA PRO A 64 23.266 -25.799 -4.651 1.00 1.03 C ATOM 979 C PRO A 64 24.301 -26.246 -3.616 1.00 0.81 C ATOM 980 O PRO A 64 24.148 -27.294 -2.983 1.00 0.86 O ATOM 981 CB PRO A 64 21.916 -25.522 -3.986 1.00 1.53 C ATOM 982 CG PRO A 64 21.143 -26.789 -4.137 1.00 1.76 C ATOM 983 CD PRO A 64 21.609 -27.417 -5.421 1.00 1.40 C ATOM 0 HA PRO A 64 23.696 -24.920 -5.131 1.00 1.03 H new ATOM 0 HB2 PRO A 64 22.040 -25.258 -2.936 1.00 1.53 H new ATOM 0 HB3 PRO A 64 21.404 -24.688 -4.465 1.00 1.53 H new ATOM 0 HG2 PRO A 64 21.319 -27.455 -3.292 1.00 1.76 H new ATOM 0 HG3 PRO A 64 20.072 -26.590 -4.168 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.624 -28.505 -5.353 1.00 1.40 H new ATOM 0 HD3 PRO A 64 20.955 -27.158 -6.254 1.00 1.40 H new ATOM 991 N PHE A 65 25.350 -25.454 -3.448 1.00 0.68 N ATOM 992 CA PHE A 65 26.436 -25.810 -2.546 1.00 0.53 C ATOM 993 C PHE A 65 26.234 -25.155 -1.179 1.00 0.47 C ATOM 994 O PHE A 65 25.658 -24.069 -1.076 1.00 0.54 O ATOM 995 CB PHE A 65 27.777 -25.385 -3.155 1.00 0.62 C ATOM 996 CG PHE A 65 28.978 -25.967 -2.461 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.394 -27.256 -2.746 1.00 1.06 C ATOM 998 CD2 PHE A 65 29.695 -25.228 -1.528 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.496 -27.802 -2.117 1.00 1.31 C ATOM 1000 CE2 PHE A 65 30.798 -25.769 -0.896 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.199 -27.058 -1.191 1.00 1.24 C ATOM 0 H PHE A 65 25.472 -24.560 -3.924 1.00 0.68 H new ATOM 0 HA PHE A 65 26.440 -26.891 -2.406 1.00 0.53 H new ATOM 0 HB2 PHE A 65 27.798 -25.681 -4.204 1.00 0.62 H new ATOM 0 HB3 PHE A 65 27.847 -24.298 -3.129 1.00 0.62 H new ATOM 0 HD1 PHE A 65 28.849 -27.843 -3.470 1.00 1.06 H new ATOM 0 HD2 PHE A 65 29.387 -24.220 -1.294 1.00 0.71 H new ATOM 0 HE1 PHE A 65 30.807 -28.810 -2.349 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.346 -25.185 -0.172 1.00 0.95 H new ATOM 0 HZ PHE A 65 32.061 -27.483 -0.698 1.00 1.24 H new ATOM 1011 N LYS A 66 26.691 -25.834 -0.137 1.00 0.41 N ATOM 1012 CA LYS A 66 26.650 -25.301 1.216 1.00 0.39 C ATOM 1013 C LYS A 66 28.003 -25.509 1.891 1.00 0.38 C ATOM 1014 O LYS A 66 28.670 -26.521 1.658 1.00 0.48 O ATOM 1015 CB LYS A 66 25.498 -25.936 2.018 1.00 0.45 C ATOM 1016 CG LYS A 66 25.452 -27.462 1.998 1.00 0.60 C ATOM 1017 CD LYS A 66 26.403 -28.078 3.013 1.00 0.67 C ATOM 1018 CE LYS A 66 26.213 -29.584 3.125 1.00 0.93 C ATOM 1019 NZ LYS A 66 26.532 -30.294 1.857 1.00 1.36 N ATOM 0 H LYS A 66 27.099 -26.766 -0.205 1.00 0.41 H new ATOM 0 HA LYS A 66 26.454 -24.229 1.178 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.573 -25.605 3.054 1.00 0.45 H new ATOM 0 HB3 LYS A 66 24.554 -25.555 1.629 1.00 0.45 H new ATOM 0 HG2 LYS A 66 24.435 -27.796 2.206 1.00 0.60 H new ATOM 0 HG3 LYS A 66 25.707 -27.819 1.000 1.00 0.60 H new ATOM 0 HD2 LYS A 66 27.432 -27.862 2.725 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.242 -27.618 3.988 1.00 0.67 H new ATOM 0 HE2 LYS A 66 26.848 -29.969 3.923 1.00 0.93 H new ATOM 0 HE3 LYS A 66 25.182 -29.797 3.408 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 26.420 -31.319 1.995 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 25.887 -29.973 1.107 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 27.513 -30.088 1.581 1.00 1.36 H new ATOM 1033 N PHE A 67 28.413 -24.549 2.705 1.00 0.39 N ATOM 1034 CA PHE A 67 29.748 -24.571 3.292 1.00 0.42 C ATOM 1035 C PHE A 67 29.698 -24.382 4.805 1.00 0.42 C ATOM 1036 O PHE A 67 28.623 -24.263 5.393 1.00 0.46 O ATOM 1037 CB PHE A 67 30.626 -23.486 2.651 1.00 0.46 C ATOM 1038 CG PHE A 67 30.123 -22.078 2.856 1.00 0.45 C ATOM 1039 CD1 PHE A 67 29.170 -21.536 2.011 1.00 0.55 C ATOM 1040 CD2 PHE A 67 30.608 -21.297 3.894 1.00 0.43 C ATOM 1041 CE1 PHE A 67 28.708 -20.245 2.196 1.00 0.57 C ATOM 1042 CE2 PHE A 67 30.151 -20.006 4.086 1.00 0.46 C ATOM 1043 CZ PHE A 67 29.199 -19.480 3.235 1.00 0.51 C ATOM 0 H PHE A 67 27.844 -23.746 2.975 1.00 0.39 H new ATOM 0 HA PHE A 67 30.184 -25.550 3.093 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.634 -23.562 3.060 1.00 0.46 H new ATOM 0 HB3 PHE A 67 30.700 -23.681 1.581 1.00 0.46 H new ATOM 0 HD1 PHE A 67 28.782 -22.129 1.196 1.00 0.55 H new ATOM 0 HD2 PHE A 67 31.353 -21.703 4.562 1.00 0.43 H new ATOM 0 HE1 PHE A 67 27.964 -19.836 1.528 1.00 0.57 H new ATOM 0 HE2 PHE A 67 30.538 -19.410 4.900 1.00 0.46 H new ATOM 0 HZ PHE A 67 28.839 -18.472 3.382 1.00 0.51 H new ATOM 1053 N HIS A 68 30.875 -24.362 5.424 1.00 0.42 N ATOM 1054 CA HIS A 68 30.996 -24.155 6.860 1.00 0.44 C ATOM 1055 C HIS A 68 31.696 -22.838 7.149 1.00 0.42 C ATOM 1056 O HIS A 68 32.518 -22.381 6.358 1.00 0.44 O ATOM 1057 CB HIS A 68 31.743 -25.318 7.522 1.00 0.53 C ATOM 1058 CG HIS A 68 30.872 -26.504 7.792 1.00 0.89 C ATOM 1059 ND1 HIS A 68 29.571 -26.567 8.147 1.00 1.68 N flip ATOM 1060 CD2 HIS A 68 31.314 -27.805 7.741 1.00 1.56 C flip ATOM 1061 CE1 HIS A 68 29.248 -27.887 8.304 1.00 1.98 C flip ATOM 1062 NE2 HIS A 68 30.319 -28.618 8.055 1.00 1.87 N flip ATOM 0 H HIS A 68 31.767 -24.488 4.945 1.00 0.42 H new ATOM 0 HA HIS A 68 29.992 -24.115 7.283 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.570 -25.622 6.880 1.00 0.53 H new ATOM 0 HB3 HIS A 68 32.178 -24.974 8.461 1.00 0.53 H new ATOM 0 HD1 HIS A 68 28.943 -25.774 8.275 1.00 1.68 H new ATOM 0 HD2 HIS A 68 32.316 -28.115 7.485 1.00 1.56 H new ATOM 0 HE1 HIS A 68 28.277 -28.268 8.585 1.00 1.98 H new ATOM 1071 N LEU A 69 31.349 -22.225 8.274 1.00 0.44 N ATOM 1072 CA LEU A 69 31.879 -20.915 8.630 1.00 0.47 C ATOM 1073 C LEU A 69 33.378 -20.971 8.928 1.00 0.49 C ATOM 1074 O LEU A 69 33.816 -21.706 9.815 1.00 0.58 O ATOM 1075 CB LEU A 69 31.124 -20.348 9.835 1.00 0.59 C ATOM 1076 CG LEU A 69 31.393 -18.874 10.137 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.070 -18.019 8.927 1.00 0.74 C ATOM 1078 CD2 LEU A 69 30.580 -18.420 11.337 1.00 0.95 C ATOM 0 H LEU A 69 30.701 -22.616 8.958 1.00 0.44 H new ATOM 0 HA LEU A 69 31.736 -20.258 7.772 1.00 0.47 H new ATOM 0 HB2 LEU A 69 30.055 -20.479 9.668 1.00 0.59 H new ATOM 0 HB3 LEU A 69 31.383 -20.936 10.715 1.00 0.59 H new ATOM 0 HG LEU A 69 32.451 -18.758 10.372 1.00 0.71 H new ATOM 0 HD11 LEU A 69 31.267 -16.972 9.158 1.00 0.74 H new ATOM 0 HD12 LEU A 69 31.692 -18.328 8.087 1.00 0.74 H new ATOM 0 HD13 LEU A 69 30.019 -18.141 8.665 1.00 0.74 H new ATOM 0 HD21 LEU A 69 30.784 -17.368 11.538 1.00 0.95 H new ATOM 0 HD22 LEU A 69 29.518 -18.550 11.128 1.00 0.95 H new ATOM 0 HD23 LEU A 69 30.854 -19.015 12.208 1.00 0.95 H new ATOM 1090 N GLU A 70 34.133 -20.162 8.179 1.00 0.59 N ATOM 1091 CA GLU A 70 35.592 -20.055 8.293 1.00 0.69 C ATOM 1092 C GLU A 70 36.263 -21.422 8.455 1.00 0.69 C ATOM 1093 O GLU A 70 36.725 -21.777 9.541 1.00 0.96 O ATOM 1094 CB GLU A 70 35.982 -19.137 9.457 1.00 0.95 C ATOM 1095 CG GLU A 70 37.401 -18.609 9.350 1.00 1.12 C ATOM 1096 CD GLU A 70 38.121 -18.584 10.680 1.00 1.47 C ATOM 1097 OE1 GLU A 70 37.841 -17.696 11.513 1.00 2.08 O ATOM 1098 OE2 GLU A 70 38.968 -19.466 10.915 1.00 1.79 O ATOM 0 H GLU A 70 33.741 -19.551 7.463 1.00 0.59 H new ATOM 0 HA GLU A 70 35.950 -19.620 7.360 1.00 0.69 H new ATOM 0 HB2 GLU A 70 35.290 -18.296 9.496 1.00 0.95 H new ATOM 0 HB3 GLU A 70 35.874 -19.683 10.394 1.00 0.95 H new ATOM 0 HG2 GLU A 70 37.962 -19.228 8.650 1.00 1.12 H new ATOM 0 HG3 GLU A 70 37.378 -17.601 8.936 1.00 1.12 H new ATOM 1105 N GLN A 71 36.299 -22.199 7.380 1.00 0.68 N ATOM 1106 CA GLN A 71 36.948 -23.502 7.415 1.00 0.86 C ATOM 1107 C GLN A 71 38.092 -23.560 6.403 1.00 0.83 C ATOM 1108 O GLN A 71 38.570 -24.631 6.027 1.00 0.96 O ATOM 1109 CB GLN A 71 35.926 -24.628 7.183 1.00 1.05 C ATOM 1110 CG GLN A 71 35.624 -24.993 5.723 1.00 0.96 C ATOM 1111 CD GLN A 71 34.920 -23.910 4.914 1.00 1.14 C ATOM 1112 OE1 GLN A 71 35.164 -22.715 5.075 1.00 1.98 O ATOM 1113 NE2 GLN A 71 34.021 -24.334 4.037 1.00 0.97 N ATOM 0 H GLN A 71 35.889 -21.952 6.479 1.00 0.68 H new ATOM 0 HA GLN A 71 37.376 -23.650 8.406 1.00 0.86 H new ATOM 0 HB2 GLN A 71 36.285 -25.523 7.691 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.990 -24.343 7.663 1.00 1.05 H new ATOM 0 HG2 GLN A 71 36.562 -25.243 5.227 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.007 -25.892 5.710 1.00 0.96 H new ATOM 0 HE21 GLN A 71 33.844 -25.333 3.930 1.00 0.97 H new ATOM 0 HE22 GLN A 71 33.506 -23.661 3.469 1.00 0.97 H new ATOM 1122 N GLY A 72 38.542 -22.387 5.992 1.00 0.72 N ATOM 1123 CA GLY A 72 39.645 -22.297 5.056 1.00 0.72 C ATOM 1124 C GLY A 72 39.196 -21.962 3.649 1.00 0.67 C ATOM 1125 O GLY A 72 39.993 -21.506 2.833 1.00 0.70 O ATOM 0 H GLY A 72 38.162 -21.489 6.291 1.00 0.72 H new ATOM 0 HA2 GLY A 72 40.346 -21.536 5.400 1.00 0.72 H new ATOM 0 HA3 GLY A 72 40.184 -23.244 5.044 1.00 0.72 H new ATOM 1129 N GLU A 73 37.920 -22.174 3.365 1.00 0.63 N ATOM 1130 CA GLU A 73 37.375 -21.856 2.054 1.00 0.62 C ATOM 1131 C GLU A 73 36.912 -20.406 2.031 1.00 0.57 C ATOM 1132 O GLU A 73 37.273 -19.633 1.148 1.00 0.66 O ATOM 1133 CB GLU A 73 36.204 -22.781 1.721 1.00 0.67 C ATOM 1134 CG GLU A 73 36.520 -24.261 1.874 1.00 0.73 C ATOM 1135 CD GLU A 73 37.670 -24.711 1.003 1.00 0.81 C ATOM 1136 OE1 GLU A 73 37.435 -25.047 -0.176 1.00 0.97 O ATOM 1137 OE2 GLU A 73 38.819 -24.710 1.484 1.00 0.92 O ATOM 0 H GLU A 73 37.244 -22.564 4.022 1.00 0.63 H new ATOM 0 HA GLU A 73 38.154 -22.000 1.305 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.362 -22.531 2.367 1.00 0.67 H new ATOM 0 HB3 GLU A 73 35.886 -22.592 0.696 1.00 0.67 H new ATOM 0 HG2 GLU A 73 36.757 -24.470 2.917 1.00 0.73 H new ATOM 0 HG3 GLU A 73 35.633 -24.844 1.626 1.00 0.73 H new ATOM 1144 N VAL A 74 36.115 -20.045 3.022 1.00 0.50 N ATOM 1145 CA VAL A 74 35.612 -18.689 3.132 1.00 0.45 C ATOM 1146 C VAL A 74 36.425 -17.902 4.156 1.00 0.41 C ATOM 1147 O VAL A 74 36.714 -18.396 5.247 1.00 0.46 O ATOM 1148 CB VAL A 74 34.109 -18.675 3.497 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.301 -19.393 2.427 1.00 0.58 C ATOM 1150 CG2 VAL A 74 33.861 -19.304 4.859 1.00 0.55 C ATOM 0 H VAL A 74 35.803 -20.674 3.762 1.00 0.50 H new ATOM 0 HA VAL A 74 35.720 -18.209 2.159 1.00 0.45 H new ATOM 0 HB VAL A 74 33.787 -17.635 3.548 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.245 -19.376 2.696 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.440 -18.892 1.469 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.639 -20.426 2.348 1.00 0.58 H new ATOM 0 HG21 VAL A 74 32.795 -19.277 5.083 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.204 -20.339 4.850 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.406 -18.748 5.621 1.00 0.55 H new ATOM 1160 N ILE A 75 36.827 -16.689 3.790 1.00 0.38 N ATOM 1161 CA ILE A 75 37.680 -15.884 4.658 1.00 0.40 C ATOM 1162 C ILE A 75 36.888 -14.889 5.511 1.00 0.39 C ATOM 1163 O ILE A 75 36.722 -15.106 6.706 1.00 0.47 O ATOM 1164 CB ILE A 75 38.818 -15.149 3.897 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.354 -14.587 2.539 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.007 -16.078 3.716 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.364 -15.584 1.399 1.00 0.62 C ATOM 0 H ILE A 75 36.579 -16.245 2.906 1.00 0.38 H new ATOM 0 HA ILE A 75 38.148 -16.607 5.326 1.00 0.40 H new ATOM 0 HB ILE A 75 39.116 -14.294 4.504 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.343 -14.195 2.651 1.00 0.46 H new ATOM 0 HG13 ILE A 75 38.994 -13.746 2.272 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.800 -15.554 3.182 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.374 -16.393 4.693 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.701 -16.954 3.144 1.00 0.53 H new ATOM 0 HD11 ILE A 75 38.022 -15.096 0.486 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.377 -15.959 1.253 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.700 -16.415 1.637 1.00 0.62 H new ATOM 1179 N LYS A 76 36.390 -13.800 4.915 1.00 0.33 N ATOM 1180 CA LYS A 76 35.720 -12.758 5.698 1.00 0.35 C ATOM 1181 C LYS A 76 34.352 -12.400 5.128 1.00 0.29 C ATOM 1182 O LYS A 76 33.400 -12.207 5.883 1.00 0.31 O ATOM 1183 CB LYS A 76 36.577 -11.488 5.776 1.00 0.48 C ATOM 1184 CG LYS A 76 37.992 -11.728 6.271 1.00 0.62 C ATOM 1185 CD LYS A 76 38.605 -10.471 6.865 1.00 0.98 C ATOM 1186 CE LYS A 76 37.923 -10.079 8.170 1.00 1.18 C ATOM 1187 NZ LYS A 76 38.002 -11.160 9.189 1.00 2.04 N ATOM 0 H LYS A 76 36.437 -13.619 3.912 1.00 0.33 H new ATOM 0 HA LYS A 76 35.582 -13.168 6.698 1.00 0.35 H new ATOM 0 HB2 LYS A 76 36.621 -11.031 4.788 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.088 -10.772 6.437 1.00 0.48 H new ATOM 0 HG2 LYS A 76 37.985 -12.518 7.022 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.611 -12.079 5.445 1.00 0.62 H new ATOM 0 HD2 LYS A 76 39.668 -10.633 7.043 1.00 0.98 H new ATOM 0 HD3 LYS A 76 38.523 -9.652 6.150 1.00 0.98 H new ATOM 0 HE2 LYS A 76 38.388 -9.175 8.564 1.00 1.18 H new ATOM 0 HE3 LYS A 76 36.877 -9.841 7.975 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 37.794 -10.767 10.129 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 37.309 -11.901 8.963 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 38.958 -11.569 9.188 1.00 2.04 H new ATOM 1201 N GLY A 77 34.256 -12.318 3.802 1.00 0.29 N ATOM 1202 CA GLY A 77 33.019 -11.883 3.169 1.00 0.30 C ATOM 1203 C GLY A 77 31.816 -12.675 3.643 1.00 0.27 C ATOM 1204 O GLY A 77 30.802 -12.105 4.037 1.00 0.32 O ATOM 0 H GLY A 77 35.011 -12.545 3.155 1.00 0.29 H new ATOM 0 HA2 GLY A 77 32.859 -10.825 3.379 1.00 0.30 H new ATOM 0 HA3 GLY A 77 33.113 -11.983 2.088 1.00 0.30 H new ATOM 1208 N TRP A 78 31.941 -13.991 3.622 1.00 0.24 N ATOM 1209 CA TRP A 78 30.884 -14.859 4.110 1.00 0.26 C ATOM 1210 C TRP A 78 30.855 -14.875 5.637 1.00 0.29 C ATOM 1211 O TRP A 78 29.788 -14.826 6.243 1.00 0.30 O ATOM 1212 CB TRP A 78 31.089 -16.279 3.586 1.00 0.28 C ATOM 1213 CG TRP A 78 31.197 -16.363 2.090 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.186 -16.622 1.207 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.384 -16.190 1.296 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.671 -16.631 -0.078 1.00 0.36 N ATOM 1217 CE2 TRP A 78 32.011 -16.364 -0.051 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.724 -15.903 1.592 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 32.926 -16.262 -1.096 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.629 -15.804 0.553 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.227 -15.984 -0.775 1.00 0.49 C ATOM 0 H TRP A 78 32.764 -14.481 3.272 1.00 0.24 H new ATOM 0 HA TRP A 78 29.932 -14.472 3.748 1.00 0.26 H new ATOM 0 HB2 TRP A 78 31.994 -16.693 4.030 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.258 -16.902 3.917 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.155 -16.795 1.480 1.00 0.32 H new ATOM 0 HE1 TRP A 78 30.120 -16.808 -0.918 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.043 -15.762 2.614 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.620 -16.397 -2.123 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.664 -15.584 0.769 1.00 0.48 H new ATOM 0 HH2 TRP A 78 34.960 -15.902 -1.564 1.00 0.49 H new ATOM 1232 N ASP A 79 32.040 -14.915 6.242 1.00 0.35 N ATOM 1233 CA ASP A 79 32.186 -15.099 7.691 1.00 0.42 C ATOM 1234 C ASP A 79 31.421 -14.047 8.489 1.00 0.43 C ATOM 1235 O ASP A 79 30.582 -14.389 9.326 1.00 0.47 O ATOM 1236 CB ASP A 79 33.673 -15.071 8.068 1.00 0.52 C ATOM 1237 CG ASP A 79 33.923 -15.249 9.556 1.00 0.76 C ATOM 1238 OD1 ASP A 79 33.630 -16.344 10.079 1.00 1.14 O ATOM 1239 OD2 ASP A 79 34.382 -14.293 10.206 1.00 0.90 O ATOM 0 H ASP A 79 32.927 -14.821 5.746 1.00 0.35 H new ATOM 0 HA ASP A 79 31.757 -16.068 7.945 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.193 -15.859 7.523 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.104 -14.123 7.746 1.00 0.52 H new ATOM 1244 N ILE A 80 31.668 -12.776 8.193 1.00 0.45 N ATOM 1245 CA ILE A 80 31.043 -11.683 8.932 1.00 0.52 C ATOM 1246 C ILE A 80 29.534 -11.651 8.685 1.00 0.47 C ATOM 1247 O ILE A 80 28.752 -11.313 9.576 1.00 0.56 O ATOM 1248 CB ILE A 80 31.676 -10.311 8.579 1.00 0.63 C ATOM 1249 CG1 ILE A 80 33.039 -10.137 9.264 1.00 0.75 C ATOM 1250 CG2 ILE A 80 30.755 -9.158 8.959 1.00 0.78 C ATOM 1251 CD1 ILE A 80 34.122 -11.067 8.760 1.00 0.70 C ATOM 0 H ILE A 80 32.296 -12.476 7.447 1.00 0.45 H new ATOM 0 HA ILE A 80 31.221 -11.868 9.991 1.00 0.52 H new ATOM 0 HB ILE A 80 31.822 -10.294 7.499 1.00 0.63 H new ATOM 0 HG12 ILE A 80 33.370 -9.108 9.128 1.00 0.75 H new ATOM 0 HG13 ILE A 80 32.915 -10.293 10.336 1.00 0.75 H new ATOM 0 HG21 ILE A 80 31.229 -8.212 8.698 1.00 0.78 H new ATOM 0 HG22 ILE A 80 29.812 -9.252 8.420 1.00 0.78 H new ATOM 0 HG23 ILE A 80 30.563 -9.184 10.032 1.00 0.78 H new ATOM 0 HD11 ILE A 80 35.049 -10.873 9.300 1.00 0.70 H new ATOM 0 HD12 ILE A 80 33.818 -12.101 8.921 1.00 0.70 H new ATOM 0 HD13 ILE A 80 34.280 -10.898 7.695 1.00 0.70 H new ATOM 1263 N CYS A 81 29.124 -12.027 7.485 1.00 0.38 N ATOM 1264 CA CYS A 81 27.706 -12.080 7.165 1.00 0.40 C ATOM 1265 C CYS A 81 27.034 -13.214 7.932 1.00 0.35 C ATOM 1266 O CYS A 81 26.023 -13.003 8.598 1.00 0.42 O ATOM 1267 CB CYS A 81 27.491 -12.256 5.661 1.00 0.44 C ATOM 1268 SG CYS A 81 25.758 -12.170 5.150 1.00 0.55 S ATOM 0 H CYS A 81 29.745 -12.298 6.723 1.00 0.38 H new ATOM 0 HA CYS A 81 27.253 -11.135 7.464 1.00 0.40 H new ATOM 0 HB2 CYS A 81 28.054 -11.487 5.132 1.00 0.44 H new ATOM 0 HB3 CYS A 81 27.902 -13.218 5.356 1.00 0.44 H new ATOM 0 HG CYS A 81 24.992 -12.436 6.166 1.00 0.55 H new ATOM 1274 N VAL A 82 27.619 -14.404 7.863 1.00 0.30 N ATOM 1275 CA VAL A 82 27.058 -15.587 8.511 1.00 0.34 C ATOM 1276 C VAL A 82 27.017 -15.422 10.033 1.00 0.39 C ATOM 1277 O VAL A 82 26.038 -15.797 10.677 1.00 0.48 O ATOM 1278 CB VAL A 82 27.855 -16.862 8.159 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.330 -18.061 8.931 1.00 0.84 C ATOM 1280 CG2 VAL A 82 27.794 -17.135 6.662 1.00 0.73 C ATOM 0 H VAL A 82 28.490 -14.577 7.360 1.00 0.30 H new ATOM 0 HA VAL A 82 26.040 -15.694 8.135 1.00 0.34 H new ATOM 0 HB VAL A 82 28.894 -16.698 8.444 1.00 0.36 H new ATOM 0 HG11 VAL A 82 27.908 -18.946 8.665 1.00 0.84 H new ATOM 0 HG12 VAL A 82 27.423 -17.874 10.001 1.00 0.84 H new ATOM 0 HG13 VAL A 82 26.282 -18.224 8.681 1.00 0.84 H new ATOM 0 HG21 VAL A 82 28.361 -18.037 6.433 1.00 0.73 H new ATOM 0 HG22 VAL A 82 26.756 -17.273 6.359 1.00 0.73 H new ATOM 0 HG23 VAL A 82 28.221 -16.291 6.121 1.00 0.73 H new ATOM 1290 N SER A 83 28.067 -14.836 10.595 1.00 0.39 N ATOM 1291 CA SER A 83 28.172 -14.664 12.042 1.00 0.49 C ATOM 1292 C SER A 83 27.195 -13.595 12.553 1.00 0.48 C ATOM 1293 O SER A 83 27.020 -13.425 13.763 1.00 0.60 O ATOM 1294 CB SER A 83 29.613 -14.292 12.413 1.00 0.63 C ATOM 1295 OG SER A 83 29.804 -14.281 13.819 1.00 1.43 O ATOM 0 H SER A 83 28.861 -14.470 10.070 1.00 0.39 H new ATOM 0 HA SER A 83 27.906 -15.607 12.520 1.00 0.49 H new ATOM 0 HB2 SER A 83 30.302 -15.003 11.957 1.00 0.63 H new ATOM 0 HB3 SER A 83 29.852 -13.310 12.005 1.00 0.63 H new ATOM 0 HG SER A 83 30.733 -14.042 14.021 1.00 1.43 H new ATOM 1301 N SER A 84 26.556 -12.887 11.628 1.00 0.50 N ATOM 1302 CA SER A 84 25.601 -11.842 11.973 1.00 0.53 C ATOM 1303 C SER A 84 24.190 -12.239 11.525 1.00 0.51 C ATOM 1304 O SER A 84 23.318 -11.389 11.341 1.00 0.64 O ATOM 1305 CB SER A 84 26.027 -10.521 11.316 1.00 0.69 C ATOM 1306 OG SER A 84 25.144 -9.452 11.638 1.00 1.23 O ATOM 0 H SER A 84 26.684 -13.020 10.625 1.00 0.50 H new ATOM 0 HA SER A 84 25.587 -11.711 13.055 1.00 0.53 H new ATOM 0 HB2 SER A 84 27.037 -10.266 11.638 1.00 0.69 H new ATOM 0 HB3 SER A 84 26.060 -10.649 10.234 1.00 0.69 H new ATOM 0 HG SER A 84 24.218 -9.772 11.607 1.00 1.23 H new ATOM 1312 N MET A 85 23.969 -13.540 11.371 1.00 0.46 N ATOM 1313 CA MET A 85 22.684 -14.058 10.903 1.00 0.49 C ATOM 1314 C MET A 85 21.828 -14.553 12.066 1.00 0.49 C ATOM 1315 O MET A 85 22.255 -14.538 13.218 1.00 0.74 O ATOM 1316 CB MET A 85 22.904 -15.211 9.915 1.00 0.54 C ATOM 1317 CG MET A 85 23.535 -14.786 8.600 1.00 0.63 C ATOM 1318 SD MET A 85 22.384 -13.922 7.517 1.00 1.05 S ATOM 1319 CE MET A 85 21.223 -15.240 7.161 1.00 2.27 C ATOM 0 H MET A 85 24.665 -14.260 11.564 1.00 0.46 H new ATOM 0 HA MET A 85 22.161 -13.240 10.407 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.539 -15.962 10.385 1.00 0.54 H new ATOM 0 HB3 MET A 85 21.945 -15.687 9.709 1.00 0.54 H new ATOM 0 HG2 MET A 85 24.388 -14.140 8.805 1.00 0.63 H new ATOM 0 HG3 MET A 85 23.919 -15.667 8.085 1.00 0.63 H new ATOM 0 HE1 MET A 85 20.863 -15.141 6.137 1.00 2.27 H new ATOM 0 HE2 MET A 85 21.719 -16.203 7.280 1.00 2.27 H new ATOM 0 HE3 MET A 85 20.380 -15.178 7.850 1.00 2.27 H new ATOM 1329 N ARG A 86 20.617 -14.992 11.743 1.00 0.45 N ATOM 1330 CA ARG A 86 19.722 -15.626 12.704 1.00 0.46 C ATOM 1331 C ARG A 86 19.003 -16.771 12.008 1.00 0.49 C ATOM 1332 O ARG A 86 18.918 -16.785 10.783 1.00 0.57 O ATOM 1333 CB ARG A 86 18.692 -14.626 13.252 1.00 0.49 C ATOM 1334 CG ARG A 86 19.292 -13.521 14.104 1.00 0.96 C ATOM 1335 CD ARG A 86 18.249 -12.475 14.451 1.00 1.24 C ATOM 1336 NE ARG A 86 18.798 -11.364 15.224 1.00 2.20 N ATOM 1337 CZ ARG A 86 18.214 -10.168 15.312 1.00 3.10 C ATOM 1338 NH1 ARG A 86 17.141 -9.896 14.579 1.00 3.34 N ATOM 1339 NH2 ARG A 86 18.726 -9.225 16.096 1.00 4.19 N ATOM 0 H ARG A 86 20.227 -14.918 10.804 1.00 0.45 H new ATOM 0 HA ARG A 86 20.308 -15.994 13.546 1.00 0.46 H new ATOM 0 HB2 ARG A 86 18.158 -14.175 12.415 1.00 0.49 H new ATOM 0 HB3 ARG A 86 17.955 -15.168 13.845 1.00 0.49 H new ATOM 0 HG2 ARG A 86 19.705 -13.946 15.019 1.00 0.96 H new ATOM 0 HG3 ARG A 86 20.118 -13.053 13.569 1.00 0.96 H new ATOM 0 HD2 ARG A 86 17.808 -12.089 13.532 1.00 1.24 H new ATOM 0 HD3 ARG A 86 17.445 -12.944 15.018 1.00 1.24 H new ATOM 0 HE ARG A 86 19.675 -11.511 15.723 1.00 2.20 H new ATOM 0 HH11 ARG A 86 16.762 -10.602 13.948 1.00 3.34 H new ATOM 0 HH12 ARG A 86 16.695 -8.981 14.647 1.00 3.34 H new ATOM 0 HH21 ARG A 86 19.571 -9.413 16.635 1.00 4.19 H new ATOM 0 HH22 ARG A 86 18.274 -8.313 16.158 1.00 4.19 H new ATOM 1353 N LYS A 87 18.478 -17.719 12.775 1.00 0.51 N ATOM 1354 CA LYS A 87 17.807 -18.885 12.196 1.00 0.59 C ATOM 1355 C LYS A 87 16.519 -18.477 11.472 1.00 0.59 C ATOM 1356 O LYS A 87 16.028 -19.190 10.601 1.00 0.74 O ATOM 1357 CB LYS A 87 17.503 -19.919 13.286 1.00 0.68 C ATOM 1358 CG LYS A 87 16.945 -21.226 12.747 1.00 0.84 C ATOM 1359 CD LYS A 87 16.859 -22.293 13.827 1.00 1.03 C ATOM 1360 CE LYS A 87 16.305 -23.592 13.271 1.00 1.26 C ATOM 1361 NZ LYS A 87 14.884 -23.454 12.862 1.00 1.94 N ATOM 0 H LYS A 87 18.502 -17.707 13.795 1.00 0.51 H new ATOM 0 HA LYS A 87 18.478 -19.333 11.463 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.417 -20.126 13.843 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.789 -19.492 13.991 1.00 0.68 H new ATOM 0 HG2 LYS A 87 15.954 -21.052 12.328 1.00 0.84 H new ATOM 0 HG3 LYS A 87 17.577 -21.583 11.934 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.849 -22.468 14.249 1.00 1.03 H new ATOM 0 HD3 LYS A 87 16.223 -21.942 14.640 1.00 1.03 H new ATOM 0 HE2 LYS A 87 16.901 -23.904 12.414 1.00 1.26 H new ATOM 0 HE3 LYS A 87 16.393 -24.376 14.023 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 14.487 -24.395 12.664 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 14.344 -23.004 13.629 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 14.825 -22.866 12.006 1.00 1.94 H new ATOM 1375 N ASN A 88 15.985 -17.316 11.837 1.00 0.55 N ATOM 1376 CA ASN A 88 14.775 -16.791 11.204 1.00 0.66 C ATOM 1377 C ASN A 88 15.101 -15.576 10.343 1.00 0.60 C ATOM 1378 O ASN A 88 14.198 -14.865 9.895 1.00 0.71 O ATOM 1379 CB ASN A 88 13.725 -16.402 12.256 1.00 0.79 C ATOM 1380 CG ASN A 88 12.996 -17.598 12.840 1.00 0.96 C ATOM 1381 OD1 ASN A 88 11.968 -18.024 12.319 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.510 -18.135 13.934 1.00 1.20 N ATOM 0 H ASN A 88 16.370 -16.718 12.569 1.00 0.55 H new ATOM 0 HA ASN A 88 14.367 -17.580 10.573 1.00 0.66 H new ATOM 0 HB2 ASN A 88 14.212 -15.852 13.061 1.00 0.79 H new ATOM 0 HB3 ASN A 88 12.999 -15.727 11.803 1.00 0.79 H new ATOM 0 HD21 ASN A 88 13.051 -18.932 14.375 1.00 1.20 H new ATOM 0 HD22 ASN A 88 14.366 -17.752 14.336 1.00 1.20 H new ATOM 1389 N GLU A 89 16.387 -15.350 10.102 1.00 0.50 N ATOM 1390 CA GLU A 89 16.835 -14.149 9.408 1.00 0.46 C ATOM 1391 C GLU A 89 17.633 -14.520 8.162 1.00 0.47 C ATOM 1392 O GLU A 89 18.181 -15.618 8.074 1.00 0.65 O ATOM 1393 CB GLU A 89 17.666 -13.289 10.363 1.00 0.50 C ATOM 1394 CG GLU A 89 17.951 -11.883 9.861 1.00 0.48 C ATOM 1395 CD GLU A 89 18.335 -10.945 10.983 1.00 1.01 C ATOM 1396 OE1 GLU A 89 17.450 -10.616 11.806 1.00 1.38 O ATOM 1397 OE2 GLU A 89 19.513 -10.548 11.056 1.00 1.60 O ATOM 0 H GLU A 89 17.138 -15.983 10.377 1.00 0.50 H new ATOM 0 HA GLU A 89 15.969 -13.572 9.085 1.00 0.46 H new ATOM 0 HB2 GLU A 89 17.144 -13.221 11.318 1.00 0.50 H new ATOM 0 HB3 GLU A 89 18.614 -13.792 10.553 1.00 0.50 H new ATOM 0 HG2 GLU A 89 18.755 -11.917 9.126 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.069 -11.495 9.351 1.00 0.48 H new ATOM 1404 N LYS A 90 17.683 -13.608 7.202 1.00 0.39 N ATOM 1405 CA LYS A 90 18.344 -13.862 5.928 1.00 0.40 C ATOM 1406 C LYS A 90 18.765 -12.549 5.266 1.00 0.39 C ATOM 1407 O LYS A 90 17.978 -11.601 5.208 1.00 0.47 O ATOM 1408 CB LYS A 90 17.395 -14.641 5.020 1.00 0.50 C ATOM 1409 CG LYS A 90 17.936 -14.882 3.630 1.00 0.56 C ATOM 1410 CD LYS A 90 17.050 -15.838 2.864 1.00 0.93 C ATOM 1411 CE LYS A 90 17.524 -15.986 1.438 1.00 0.85 C ATOM 1412 NZ LYS A 90 16.975 -17.207 0.791 1.00 1.17 N ATOM 0 H LYS A 90 17.271 -12.678 7.282 1.00 0.39 H new ATOM 0 HA LYS A 90 19.245 -14.451 6.101 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.171 -15.602 5.484 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.453 -14.097 4.943 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.006 -13.936 3.094 1.00 0.56 H new ATOM 0 HG3 LYS A 90 18.946 -15.288 3.694 1.00 0.56 H new ATOM 0 HD2 LYS A 90 17.049 -16.812 3.354 1.00 0.93 H new ATOM 0 HD3 LYS A 90 16.022 -15.475 2.874 1.00 0.93 H new ATOM 0 HE2 LYS A 90 17.227 -15.108 0.865 1.00 0.85 H new ATOM 0 HE3 LYS A 90 18.613 -16.025 1.420 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.366 -17.297 -0.169 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.236 -18.044 1.351 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 15.939 -17.136 0.738 1.00 1.17 H new ATOM 1426 N CYS A 91 19.994 -12.497 4.750 1.00 0.35 N ATOM 1427 CA CYS A 91 20.529 -11.247 4.218 1.00 0.38 C ATOM 1428 C CYS A 91 21.316 -11.441 2.920 1.00 0.32 C ATOM 1429 O CYS A 91 21.582 -12.568 2.496 1.00 0.37 O ATOM 1430 CB CYS A 91 21.431 -10.580 5.262 1.00 0.48 C ATOM 1431 SG CYS A 91 20.623 -10.237 6.844 1.00 1.20 S ATOM 0 H CYS A 91 20.628 -13.294 4.690 1.00 0.35 H new ATOM 0 HA CYS A 91 19.674 -10.611 3.989 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.294 -11.222 5.441 1.00 0.48 H new ATOM 0 HB3 CYS A 91 21.809 -9.644 4.851 1.00 0.48 H new ATOM 0 HG CYS A 91 21.473 -9.676 7.653 1.00 1.20 H new ATOM 1437 N LEU A 92 21.677 -10.317 2.301 1.00 0.31 N ATOM 1438 CA LEU A 92 22.477 -10.305 1.078 1.00 0.32 C ATOM 1439 C LEU A 92 23.826 -9.646 1.342 1.00 0.28 C ATOM 1440 O LEU A 92 23.880 -8.507 1.811 1.00 0.39 O ATOM 1441 CB LEU A 92 21.759 -9.525 -0.029 1.00 0.40 C ATOM 1442 CG LEU A 92 21.162 -10.359 -1.167 1.00 0.79 C ATOM 1443 CD1 LEU A 92 22.262 -11.060 -1.947 1.00 1.39 C ATOM 1444 CD2 LEU A 92 20.157 -11.365 -0.631 1.00 1.73 C ATOM 0 H LEU A 92 21.422 -9.388 2.635 1.00 0.31 H new ATOM 0 HA LEU A 92 22.622 -11.337 0.760 1.00 0.32 H new ATOM 0 HB2 LEU A 92 20.957 -8.944 0.426 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.464 -8.814 -0.459 1.00 0.40 H new ATOM 0 HG LEU A 92 20.636 -9.686 -1.844 1.00 0.79 H new ATOM 0 HD11 LEU A 92 21.820 -11.648 -2.751 1.00 1.39 H new ATOM 0 HD12 LEU A 92 22.938 -10.317 -2.370 1.00 1.39 H new ATOM 0 HD13 LEU A 92 22.818 -11.719 -1.280 1.00 1.39 H new ATOM 0 HD21 LEU A 92 19.747 -11.945 -1.458 1.00 1.73 H new ATOM 0 HD22 LEU A 92 20.652 -12.035 0.072 1.00 1.73 H new ATOM 0 HD23 LEU A 92 19.350 -10.837 -0.122 1.00 1.73 H new ATOM 1456 N VAL A 93 24.906 -10.341 1.022 1.00 0.25 N ATOM 1457 CA VAL A 93 26.246 -9.823 1.277 1.00 0.25 C ATOM 1458 C VAL A 93 27.024 -9.640 -0.029 1.00 0.23 C ATOM 1459 O VAL A 93 26.778 -10.338 -1.016 1.00 0.26 O ATOM 1460 CB VAL A 93 27.029 -10.754 2.239 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.276 -12.113 1.607 1.00 0.74 C ATOM 1462 CG2 VAL A 93 28.340 -10.120 2.679 1.00 0.60 C ATOM 0 H VAL A 93 24.884 -11.263 0.586 1.00 0.25 H new ATOM 0 HA VAL A 93 26.136 -8.848 1.752 1.00 0.25 H new ATOM 0 HB VAL A 93 26.412 -10.899 3.126 1.00 0.34 H new ATOM 0 HG11 VAL A 93 27.827 -12.744 2.305 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.322 -12.582 1.369 1.00 0.74 H new ATOM 0 HG13 VAL A 93 27.857 -11.989 0.693 1.00 0.74 H new ATOM 0 HG21 VAL A 93 28.864 -10.798 3.352 1.00 0.60 H new ATOM 0 HG22 VAL A 93 28.961 -9.925 1.805 1.00 0.60 H new ATOM 0 HG23 VAL A 93 28.135 -9.182 3.196 1.00 0.60 H new ATOM 1472 N ARG A 94 27.940 -8.679 -0.037 1.00 0.25 N ATOM 1473 CA ARG A 94 28.770 -8.422 -1.205 1.00 0.30 C ATOM 1474 C ARG A 94 30.196 -8.873 -0.945 1.00 0.33 C ATOM 1475 O ARG A 94 30.875 -8.336 -0.069 1.00 0.38 O ATOM 1476 CB ARG A 94 28.777 -6.933 -1.574 1.00 0.40 C ATOM 1477 CG ARG A 94 27.675 -6.504 -2.530 1.00 0.92 C ATOM 1478 CD ARG A 94 26.296 -6.816 -1.984 1.00 0.65 C ATOM 1479 NE ARG A 94 25.267 -5.981 -2.597 1.00 0.89 N ATOM 1480 CZ ARG A 94 24.226 -5.498 -1.928 1.00 1.05 C ATOM 1481 NH1 ARG A 94 24.063 -5.809 -0.646 1.00 1.71 N ATOM 1482 NH2 ARG A 94 23.343 -4.715 -2.535 1.00 1.58 N ATOM 0 H ARG A 94 28.126 -8.064 0.755 1.00 0.25 H new ATOM 0 HA ARG A 94 28.346 -8.986 -2.036 1.00 0.30 H new ATOM 0 HB2 ARG A 94 28.692 -6.347 -0.659 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.741 -6.689 -2.021 1.00 0.40 H new ATOM 0 HG2 ARG A 94 27.756 -5.434 -2.720 1.00 0.92 H new ATOM 0 HG3 ARG A 94 27.809 -7.008 -3.487 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.064 -7.866 -2.161 1.00 0.65 H new ATOM 0 HD3 ARG A 94 26.290 -6.666 -0.904 1.00 0.65 H new ATOM 0 HE ARG A 94 25.352 -5.757 -3.589 1.00 0.89 H new ATOM 0 HH11 ARG A 94 24.736 -6.417 -0.179 1.00 1.71 H new ATOM 0 HH12 ARG A 94 23.265 -5.440 -0.129 1.00 1.71 H new ATOM 0 HH21 ARG A 94 23.462 -4.481 -3.521 1.00 1.58 H new ATOM 0 HH22 ARG A 94 22.546 -4.347 -2.016 1.00 1.58 H new ATOM 1496 N ILE A 95 30.644 -9.864 -1.694 1.00 0.35 N ATOM 1497 CA ILE A 95 32.019 -10.312 -1.583 1.00 0.38 C ATOM 1498 C ILE A 95 32.889 -9.489 -2.519 1.00 0.41 C ATOM 1499 O ILE A 95 32.849 -9.649 -3.740 1.00 0.45 O ATOM 1500 CB ILE A 95 32.196 -11.831 -1.868 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.657 -12.671 -0.700 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.663 -12.175 -2.115 1.00 0.52 C ATOM 1503 CD1 ILE A 95 30.159 -12.580 -0.490 1.00 0.51 C ATOM 0 H ILE A 95 30.082 -10.369 -2.379 1.00 0.35 H new ATOM 0 HA ILE A 95 32.328 -10.163 -0.549 1.00 0.38 H new ATOM 0 HB ILE A 95 31.626 -12.066 -2.767 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.923 -13.714 -0.868 1.00 0.47 H new ATOM 0 HG13 ILE A 95 32.158 -12.358 0.216 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.758 -13.243 -2.312 1.00 0.52 H new ATOM 0 HG22 ILE A 95 34.029 -11.614 -2.975 1.00 0.52 H new ATOM 0 HG23 ILE A 95 34.251 -11.914 -1.235 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.871 -13.205 0.355 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.882 -11.546 -0.287 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.644 -12.923 -1.387 1.00 0.51 H new ATOM 1515 N GLU A 96 33.622 -8.561 -1.930 1.00 0.43 N ATOM 1516 CA GLU A 96 34.518 -7.692 -2.674 1.00 0.49 C ATOM 1517 C GLU A 96 35.871 -8.380 -2.833 1.00 0.45 C ATOM 1518 O GLU A 96 36.078 -9.467 -2.291 1.00 0.45 O ATOM 1519 CB GLU A 96 34.658 -6.361 -1.928 1.00 0.55 C ATOM 1520 CG GLU A 96 35.085 -5.192 -2.805 1.00 0.77 C ATOM 1521 CD GLU A 96 35.092 -3.876 -2.060 1.00 0.88 C ATOM 1522 OE1 GLU A 96 36.065 -3.615 -1.327 1.00 1.37 O ATOM 1523 OE2 GLU A 96 34.127 -3.095 -2.213 1.00 1.19 O ATOM 0 H GLU A 96 33.614 -8.388 -0.925 1.00 0.43 H new ATOM 0 HA GLU A 96 34.117 -7.492 -3.668 1.00 0.49 H new ATOM 0 HB2 GLU A 96 33.704 -6.119 -1.459 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.386 -6.483 -1.126 1.00 0.55 H new ATOM 0 HG2 GLU A 96 36.082 -5.386 -3.202 1.00 0.77 H new ATOM 0 HG3 GLU A 96 34.411 -5.118 -3.658 1.00 0.77 H new ATOM 1530 N SER A 97 36.783 -7.750 -3.561 1.00 0.49 N ATOM 1531 CA SER A 97 38.104 -8.312 -3.820 1.00 0.54 C ATOM 1532 C SER A 97 38.792 -8.791 -2.539 1.00 0.52 C ATOM 1533 O SER A 97 39.278 -9.919 -2.475 1.00 0.59 O ATOM 1534 CB SER A 97 38.969 -7.266 -4.525 1.00 0.64 C ATOM 1535 OG SER A 97 38.933 -6.030 -3.832 1.00 1.00 O ATOM 0 H SER A 97 36.630 -6.837 -3.988 1.00 0.49 H new ATOM 0 HA SER A 97 37.978 -9.186 -4.459 1.00 0.54 H new ATOM 0 HB2 SER A 97 39.997 -7.622 -4.589 1.00 0.64 H new ATOM 0 HB3 SER A 97 38.616 -7.125 -5.547 1.00 0.64 H new ATOM 0 HG SER A 97 39.494 -5.377 -4.299 1.00 1.00 H new ATOM 1541 N MET A 98 38.808 -7.945 -1.514 1.00 0.48 N ATOM 1542 CA MET A 98 39.503 -8.266 -0.269 1.00 0.53 C ATOM 1543 C MET A 98 38.705 -9.250 0.587 1.00 0.49 C ATOM 1544 O MET A 98 39.195 -9.741 1.602 1.00 0.58 O ATOM 1545 CB MET A 98 39.803 -6.991 0.528 1.00 0.59 C ATOM 1546 CG MET A 98 38.567 -6.268 1.038 1.00 0.57 C ATOM 1547 SD MET A 98 38.980 -4.827 2.040 1.00 0.79 S ATOM 1548 CE MET A 98 39.966 -5.585 3.335 1.00 1.79 C ATOM 0 H MET A 98 38.349 -7.034 -1.519 1.00 0.48 H new ATOM 0 HA MET A 98 40.445 -8.745 -0.537 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.436 -7.248 1.377 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.375 -6.309 -0.101 1.00 0.59 H new ATOM 0 HG2 MET A 98 37.956 -5.955 0.191 1.00 0.57 H new ATOM 0 HG3 MET A 98 37.964 -6.957 1.629 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.827 -5.036 4.266 1.00 1.79 H new ATOM 0 HE2 MET A 98 39.652 -6.620 3.473 1.00 1.79 H new ATOM 0 HE3 MET A 98 41.019 -5.560 3.053 1.00 1.79 H new ATOM 1558 N TYR A 99 37.473 -9.535 0.180 1.00 0.41 N ATOM 1559 CA TYR A 99 36.617 -10.448 0.929 1.00 0.43 C ATOM 1560 C TYR A 99 36.718 -11.857 0.373 1.00 0.49 C ATOM 1561 O TYR A 99 36.206 -12.806 0.972 1.00 0.48 O ATOM 1562 CB TYR A 99 35.157 -9.995 0.890 1.00 0.43 C ATOM 1563 CG TYR A 99 34.901 -8.667 1.557 1.00 0.46 C ATOM 1564 CD1 TYR A 99 35.695 -8.227 2.605 1.00 0.51 C ATOM 1565 CD2 TYR A 99 33.856 -7.854 1.142 1.00 0.53 C ATOM 1566 CE1 TYR A 99 35.459 -7.015 3.217 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.614 -6.636 1.747 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.414 -6.222 2.785 1.00 0.63 C ATOM 1569 OH TYR A 99 34.168 -5.012 3.391 1.00 0.75 O ATOM 0 H TYR A 99 37.046 -9.149 -0.662 1.00 0.41 H new ATOM 0 HA TYR A 99 36.961 -10.441 1.963 1.00 0.43 H new ATOM 0 HB2 TYR A 99 34.835 -9.934 -0.150 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.540 -10.755 1.370 1.00 0.43 H new ATOM 0 HD1 TYR A 99 36.512 -8.844 2.947 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.221 -8.179 0.332 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.088 -6.687 4.031 1.00 0.59 H new ATOM 0 HE2 TYR A 99 32.801 -6.013 1.406 1.00 0.62 H new ATOM 0 HH TYR A 99 34.399 -5.069 4.342 1.00 0.75 H new ATOM 1579 N GLY A 100 37.375 -11.982 -0.771 1.00 0.60 N ATOM 1580 CA GLY A 100 37.519 -13.270 -1.411 1.00 0.71 C ATOM 1581 C GLY A 100 38.974 -13.638 -1.613 1.00 0.67 C ATOM 1582 O GLY A 100 39.866 -12.956 -1.107 1.00 0.67 O ATOM 0 H GLY A 100 37.813 -11.207 -1.269 1.00 0.60 H new ATOM 0 HA2 GLY A 100 37.032 -14.034 -0.805 1.00 0.71 H new ATOM 0 HA3 GLY A 100 37.010 -13.256 -2.375 1.00 0.71 H new ATOM 1586 N TYR A 101 39.215 -14.719 -2.342 1.00 0.76 N ATOM 1587 CA TYR A 101 40.575 -15.139 -2.665 1.00 0.86 C ATOM 1588 C TYR A 101 41.056 -14.476 -3.947 1.00 0.93 C ATOM 1589 O TYR A 101 42.239 -14.167 -4.095 1.00 1.52 O ATOM 1590 CB TYR A 101 40.654 -16.660 -2.814 1.00 1.01 C ATOM 1591 CG TYR A 101 40.876 -17.390 -1.509 1.00 0.86 C ATOM 1592 CD1 TYR A 101 39.813 -17.759 -0.696 1.00 0.75 C ATOM 1593 CD2 TYR A 101 42.161 -17.698 -1.086 1.00 1.09 C ATOM 1594 CE1 TYR A 101 40.025 -18.415 0.502 1.00 0.74 C ATOM 1595 CE2 TYR A 101 42.381 -18.356 0.105 1.00 1.14 C ATOM 1596 CZ TYR A 101 41.314 -18.713 0.898 1.00 0.92 C ATOM 1597 OH TYR A 101 41.539 -19.357 2.094 1.00 1.09 O ATOM 0 H TYR A 101 38.486 -15.323 -2.722 1.00 0.76 H new ATOM 0 HA TYR A 101 41.220 -14.830 -1.843 1.00 0.86 H new ATOM 0 HB2 TYR A 101 39.731 -17.020 -3.268 1.00 1.01 H new ATOM 0 HB3 TYR A 101 41.464 -16.907 -3.500 1.00 1.01 H new ATOM 0 HD1 TYR A 101 38.804 -17.530 -1.005 1.00 0.75 H new ATOM 0 HD2 TYR A 101 43.004 -17.417 -1.701 1.00 1.09 H new ATOM 0 HE1 TYR A 101 39.188 -18.693 1.125 1.00 0.74 H new ATOM 0 HE2 TYR A 101 43.388 -18.591 0.415 1.00 1.14 H new ATOM 0 HH TYR A 101 40.890 -20.083 2.202 1.00 1.09 H new ATOM 1681 N SER A 109 33.166 -19.375 -8.680 1.00 0.97 N ATOM 1682 CA SER A 109 32.473 -19.172 -9.942 1.00 0.88 C ATOM 1683 C SER A 109 33.232 -18.188 -10.832 1.00 0.77 C ATOM 1684 O SER A 109 33.906 -18.596 -11.776 1.00 0.85 O ATOM 1685 CB SER A 109 31.057 -18.665 -9.674 1.00 0.92 C ATOM 1686 OG SER A 109 30.398 -19.485 -8.727 1.00 1.52 O ATOM 0 HA SER A 109 32.420 -20.125 -10.468 1.00 0.88 H new ATOM 0 HB2 SER A 109 31.097 -17.639 -9.308 1.00 0.92 H new ATOM 0 HB3 SER A 109 30.490 -18.649 -10.605 1.00 0.92 H new ATOM 0 HG SER A 109 31.054 -19.849 -8.096 1.00 1.52 H new ATOM 1692 N ILE A 110 33.164 -16.897 -10.499 1.00 0.68 N ATOM 1693 CA ILE A 110 33.861 -15.864 -11.274 1.00 0.65 C ATOM 1694 C ILE A 110 34.333 -14.711 -10.379 1.00 0.63 C ATOM 1695 O ILE A 110 33.993 -13.555 -10.616 1.00 0.75 O ATOM 1696 CB ILE A 110 32.992 -15.272 -12.426 1.00 0.64 C ATOM 1697 CG1 ILE A 110 31.593 -14.847 -11.934 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.886 -16.251 -13.590 1.00 0.72 C ATOM 1699 CD1 ILE A 110 30.569 -15.966 -11.869 1.00 0.74 C ATOM 0 H ILE A 110 32.636 -16.542 -9.702 1.00 0.68 H new ATOM 0 HA ILE A 110 34.719 -16.370 -11.716 1.00 0.65 H new ATOM 0 HB ILE A 110 33.497 -14.373 -12.780 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.691 -14.407 -10.942 1.00 0.66 H new ATOM 0 HG13 ILE A 110 31.214 -14.066 -12.593 1.00 0.66 H new ATOM 0 HG21 ILE A 110 32.275 -15.813 -14.379 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.882 -16.464 -13.978 1.00 0.72 H new ATOM 0 HG23 ILE A 110 32.425 -17.177 -13.246 1.00 0.72 H new ATOM 0 HD11 ILE A 110 29.619 -15.569 -11.512 1.00 0.74 H new ATOM 0 HD12 ILE A 110 30.434 -16.394 -12.862 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.918 -16.740 -11.185 1.00 0.74 H new ATOM 1711 N PRO A 111 35.140 -14.996 -9.345 1.00 0.70 N ATOM 1712 CA PRO A 111 35.610 -13.995 -8.408 1.00 0.78 C ATOM 1713 C PRO A 111 37.015 -13.491 -8.744 1.00 0.79 C ATOM 1714 O PRO A 111 37.929 -13.598 -7.927 1.00 1.58 O ATOM 1715 CB PRO A 111 35.611 -14.778 -7.092 1.00 1.10 C ATOM 1716 CG PRO A 111 35.770 -16.223 -7.477 1.00 1.22 C ATOM 1717 CD PRO A 111 35.673 -16.309 -8.982 1.00 0.89 C ATOM 0 HA PRO A 111 34.996 -13.094 -8.401 1.00 0.78 H new ATOM 0 HB2 PRO A 111 36.426 -14.454 -6.444 1.00 1.10 H new ATOM 0 HB3 PRO A 111 34.684 -14.619 -6.542 1.00 1.10 H new ATOM 0 HG2 PRO A 111 36.730 -16.607 -7.133 1.00 1.22 H new ATOM 0 HG3 PRO A 111 34.997 -16.831 -7.008 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.645 -16.493 -9.441 1.00 0.89 H new ATOM 0 HD3 PRO A 111 35.013 -17.116 -9.300 1.00 0.89 H new ATOM 1725 N GLY A 112 37.180 -12.929 -9.938 1.00 0.95 N ATOM 1726 CA GLY A 112 38.483 -12.423 -10.349 1.00 1.02 C ATOM 1727 C GLY A 112 38.791 -11.073 -9.729 1.00 1.09 C ATOM 1728 O GLY A 112 39.075 -10.103 -10.436 1.00 2.05 O ATOM 0 H GLY A 112 36.438 -12.814 -10.629 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.255 -13.137 -10.064 1.00 1.02 H new ATOM 0 HA3 GLY A 112 38.513 -12.338 -11.435 1.00 1.02 H new ATOM 1732 N ASN A 113 38.739 -11.029 -8.397 1.00 0.74 N ATOM 1733 CA ASN A 113 38.862 -9.788 -7.627 1.00 0.84 C ATOM 1734 C ASN A 113 37.654 -8.896 -7.888 1.00 0.75 C ATOM 1735 O ASN A 113 37.647 -7.716 -7.550 1.00 1.00 O ATOM 1736 CB ASN A 113 40.169 -9.036 -7.945 1.00 1.00 C ATOM 1737 CG ASN A 113 41.417 -9.778 -7.481 1.00 1.49 C ATOM 1738 OD1 ASN A 113 41.471 -11.009 -7.496 1.00 2.03 O ATOM 1739 ND2 ASN A 113 42.432 -9.032 -7.058 1.00 1.79 N ATOM 0 H ASN A 113 38.610 -11.858 -7.817 1.00 0.74 H new ATOM 0 HA ASN A 113 38.895 -10.053 -6.570 1.00 0.84 H new ATOM 0 HB2 ASN A 113 40.232 -8.869 -9.020 1.00 1.00 H new ATOM 0 HB3 ASN A 113 40.140 -8.055 -7.471 1.00 1.00 H new ATOM 0 HD21 ASN A 113 43.290 -9.476 -6.732 1.00 1.79 H new ATOM 0 HD22 ASN A 113 42.353 -8.015 -7.059 1.00 1.79 H new ATOM 1746 N SER A 114 36.629 -9.489 -8.481 1.00 0.57 N ATOM 1747 CA SER A 114 35.402 -8.788 -8.810 1.00 0.58 C ATOM 1748 C SER A 114 34.443 -8.803 -7.618 1.00 0.50 C ATOM 1749 O SER A 114 34.572 -9.636 -6.722 1.00 0.59 O ATOM 1750 CB SER A 114 34.747 -9.465 -10.018 1.00 0.65 C ATOM 1751 OG SER A 114 35.716 -9.794 -11.002 1.00 1.14 O ATOM 0 H SER A 114 36.627 -10.474 -8.748 1.00 0.57 H new ATOM 0 HA SER A 114 35.634 -7.751 -9.051 1.00 0.58 H new ATOM 0 HB2 SER A 114 34.228 -10.368 -9.697 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.996 -8.802 -10.449 1.00 0.65 H new ATOM 0 HG SER A 114 35.276 -10.227 -11.763 1.00 1.14 H new ATOM 1757 N VAL A 115 33.492 -7.878 -7.608 1.00 0.44 N ATOM 1758 CA VAL A 115 32.487 -7.834 -6.554 1.00 0.38 C ATOM 1759 C VAL A 115 31.249 -8.641 -6.953 1.00 0.31 C ATOM 1760 O VAL A 115 30.701 -8.468 -8.049 1.00 0.31 O ATOM 1761 CB VAL A 115 32.082 -6.377 -6.210 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.592 -5.630 -7.443 1.00 0.48 C ATOM 1763 CG2 VAL A 115 31.028 -6.353 -5.110 1.00 0.42 C ATOM 0 H VAL A 115 33.395 -7.150 -8.316 1.00 0.44 H new ATOM 0 HA VAL A 115 32.931 -8.280 -5.664 1.00 0.38 H new ATOM 0 HB VAL A 115 32.972 -5.865 -5.844 1.00 0.44 H new ATOM 0 HG11 VAL A 115 31.316 -4.612 -7.166 1.00 0.48 H new ATOM 0 HG12 VAL A 115 32.385 -5.601 -8.190 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.723 -6.141 -7.857 1.00 0.48 H new ATOM 0 HG21 VAL A 115 30.760 -5.321 -4.886 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.142 -6.894 -5.443 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.427 -6.827 -4.213 1.00 0.42 H new ATOM 1773 N LEU A 116 30.833 -9.545 -6.078 1.00 0.28 N ATOM 1774 CA LEU A 116 29.651 -10.359 -6.323 1.00 0.25 C ATOM 1775 C LEU A 116 28.634 -10.173 -5.207 1.00 0.28 C ATOM 1776 O LEU A 116 28.954 -9.636 -4.144 1.00 0.37 O ATOM 1777 CB LEU A 116 30.003 -11.851 -6.431 1.00 0.30 C ATOM 1778 CG LEU A 116 30.918 -12.250 -7.594 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.377 -11.973 -7.268 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.728 -13.717 -7.950 1.00 0.50 C ATOM 0 H LEU A 116 31.298 -9.734 -5.190 1.00 0.28 H new ATOM 0 HA LEU A 116 29.226 -10.029 -7.271 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.479 -12.159 -5.500 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.075 -12.416 -6.516 1.00 0.30 H new ATOM 0 HG LEU A 116 30.641 -11.642 -8.455 1.00 0.33 H new ATOM 0 HD11 LEU A 116 33.001 -12.267 -8.112 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.510 -10.909 -7.071 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.668 -12.544 -6.386 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.387 -13.979 -8.778 1.00 0.50 H new ATOM 0 HD22 LEU A 116 30.968 -14.335 -7.085 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.692 -13.889 -8.242 1.00 0.50 H new ATOM 1792 N LEU A 117 27.410 -10.624 -5.450 1.00 0.31 N ATOM 1793 CA LEU A 117 26.365 -10.568 -4.440 1.00 0.38 C ATOM 1794 C LEU A 117 25.935 -11.981 -4.079 1.00 0.31 C ATOM 1795 O LEU A 117 25.375 -12.696 -4.912 1.00 0.38 O ATOM 1796 CB LEU A 117 25.142 -9.786 -4.934 1.00 0.61 C ATOM 1797 CG LEU A 117 25.427 -8.552 -5.788 1.00 0.38 C ATOM 1798 CD1 LEU A 117 25.485 -8.933 -7.255 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.367 -7.492 -5.565 1.00 0.59 C ATOM 0 H LEU A 117 27.118 -11.032 -6.338 1.00 0.31 H new ATOM 0 HA LEU A 117 26.770 -10.055 -3.568 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.513 -10.464 -5.511 1.00 0.61 H new ATOM 0 HB3 LEU A 117 24.562 -9.474 -4.066 1.00 0.61 H new ATOM 0 HG LEU A 117 26.392 -8.142 -5.491 1.00 0.38 H new ATOM 0 HD11 LEU A 117 25.689 -8.045 -7.854 1.00 0.70 H new ATOM 0 HD12 LEU A 117 26.278 -9.665 -7.410 1.00 0.70 H new ATOM 0 HD13 LEU A 117 24.530 -9.363 -7.557 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.588 -6.621 -6.182 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.390 -7.891 -5.837 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.360 -7.200 -4.515 1.00 0.59 H new ATOM 1811 N PHE A 118 26.213 -12.393 -2.856 1.00 0.30 N ATOM 1812 CA PHE A 118 25.837 -13.721 -2.414 1.00 0.34 C ATOM 1813 C PHE A 118 24.753 -13.652 -1.356 1.00 0.34 C ATOM 1814 O PHE A 118 24.884 -12.955 -0.347 1.00 0.37 O ATOM 1815 CB PHE A 118 27.045 -14.504 -1.892 1.00 0.43 C ATOM 1816 CG PHE A 118 27.996 -14.939 -2.972 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.532 -15.304 -4.228 1.00 0.39 C ATOM 1818 CD2 PHE A 118 29.356 -15.001 -2.722 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.411 -15.720 -5.209 1.00 0.38 C ATOM 1820 CE2 PHE A 118 30.238 -15.413 -3.700 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.765 -15.774 -4.944 1.00 0.38 C ATOM 0 H PHE A 118 26.695 -11.830 -2.155 1.00 0.30 H new ATOM 0 HA PHE A 118 25.443 -14.253 -3.280 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.584 -13.887 -1.173 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.692 -15.384 -1.355 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.474 -15.262 -4.440 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.732 -14.723 -1.748 1.00 0.38 H new ATOM 0 HE1 PHE A 118 28.039 -16.003 -6.183 1.00 0.38 H new ATOM 0 HE2 PHE A 118 31.297 -15.453 -3.492 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.453 -16.099 -5.710 1.00 0.38 H new ATOM 1831 N GLU A 119 23.669 -14.343 -1.629 1.00 0.33 N ATOM 1832 CA GLU A 119 22.581 -14.487 -0.691 1.00 0.37 C ATOM 1833 C GLU A 119 22.905 -15.611 0.281 1.00 0.34 C ATOM 1834 O GLU A 119 23.142 -16.744 -0.138 1.00 0.47 O ATOM 1835 CB GLU A 119 21.288 -14.757 -1.478 1.00 0.56 C ATOM 1836 CG GLU A 119 20.094 -15.181 -0.642 1.00 0.82 C ATOM 1837 CD GLU A 119 19.968 -16.689 -0.518 1.00 1.18 C ATOM 1838 OE1 GLU A 119 19.649 -17.350 -1.529 1.00 1.43 O ATOM 1839 OE2 GLU A 119 20.167 -17.216 0.590 1.00 1.46 O ATOM 0 H GLU A 119 23.518 -14.824 -2.516 1.00 0.33 H new ATOM 0 HA GLU A 119 22.441 -13.577 -0.108 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.023 -13.854 -2.029 1.00 0.56 H new ATOM 0 HB3 GLU A 119 21.487 -15.534 -2.216 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.180 -14.745 0.353 1.00 0.82 H new ATOM 0 HG3 GLU A 119 19.184 -14.780 -1.088 1.00 0.82 H new ATOM 1846 N ILE A 120 22.956 -15.287 1.564 1.00 0.29 N ATOM 1847 CA ILE A 120 23.298 -16.266 2.584 1.00 0.31 C ATOM 1848 C ILE A 120 22.081 -16.622 3.434 1.00 0.31 C ATOM 1849 O ILE A 120 21.378 -15.746 3.942 1.00 0.33 O ATOM 1850 CB ILE A 120 24.447 -15.769 3.492 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.724 -15.558 2.666 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.701 -16.751 4.632 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.928 -15.149 3.491 1.00 0.39 C ATOM 0 H ILE A 120 22.765 -14.352 1.924 1.00 0.29 H new ATOM 0 HA ILE A 120 23.638 -17.161 2.063 1.00 0.31 H new ATOM 0 HB ILE A 120 24.153 -14.814 3.928 1.00 0.34 H new ATOM 0 HG12 ILE A 120 25.957 -16.480 2.133 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.535 -14.793 1.912 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.513 -16.380 5.257 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.797 -16.852 5.233 1.00 0.48 H new ATOM 0 HG23 ILE A 120 24.974 -17.723 4.221 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.790 -15.019 2.837 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.716 -14.210 4.003 1.00 0.39 H new ATOM 0 HD13 ILE A 120 27.144 -15.923 4.227 1.00 0.39 H new ATOM 1865 N GLU A 121 21.854 -17.917 3.584 1.00 0.36 N ATOM 1866 CA GLU A 121 20.724 -18.421 4.342 1.00 0.40 C ATOM 1867 C GLU A 121 21.198 -19.395 5.415 1.00 0.35 C ATOM 1868 O GLU A 121 21.853 -20.397 5.108 1.00 0.40 O ATOM 1869 CB GLU A 121 19.750 -19.104 3.383 1.00 0.60 C ATOM 1870 CG GLU A 121 18.458 -19.578 4.025 1.00 1.06 C ATOM 1871 CD GLU A 121 17.475 -20.108 2.999 1.00 1.43 C ATOM 1872 OE1 GLU A 121 16.672 -19.310 2.470 1.00 1.88 O ATOM 1873 OE2 GLU A 121 17.508 -21.320 2.704 1.00 1.67 O ATOM 0 H GLU A 121 22.447 -18.645 3.185 1.00 0.36 H new ATOM 0 HA GLU A 121 20.218 -17.595 4.841 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.507 -18.411 2.578 1.00 0.60 H new ATOM 0 HB3 GLU A 121 20.249 -19.959 2.927 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.680 -20.359 4.752 1.00 1.06 H new ATOM 0 HG3 GLU A 121 18.001 -18.753 4.572 1.00 1.06 H new ATOM 1880 N LEU A 122 20.883 -19.081 6.669 1.00 0.33 N ATOM 1881 CA LEU A 122 21.243 -19.941 7.789 1.00 0.33 C ATOM 1882 C LEU A 122 20.150 -20.982 7.984 1.00 0.38 C ATOM 1883 O LEU A 122 19.186 -20.760 8.717 1.00 0.54 O ATOM 1884 CB LEU A 122 21.425 -19.105 9.067 1.00 0.38 C ATOM 1885 CG LEU A 122 22.037 -19.833 10.271 1.00 0.43 C ATOM 1886 CD1 LEU A 122 23.477 -20.225 9.988 1.00 0.80 C ATOM 1887 CD2 LEU A 122 21.961 -18.954 11.505 1.00 1.12 C ATOM 0 H LEU A 122 20.378 -18.235 6.934 1.00 0.33 H new ATOM 0 HA LEU A 122 22.187 -20.442 7.577 1.00 0.33 H new ATOM 0 HB2 LEU A 122 22.054 -18.248 8.829 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.451 -18.714 9.362 1.00 0.38 H new ATOM 0 HG LEU A 122 21.466 -20.744 10.451 1.00 0.43 H new ATOM 0 HD11 LEU A 122 23.891 -20.740 10.855 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.511 -20.887 9.123 1.00 0.80 H new ATOM 0 HD13 LEU A 122 24.064 -19.330 9.783 1.00 0.80 H new ATOM 0 HD21 LEU A 122 22.398 -19.480 12.354 1.00 1.12 H new ATOM 0 HD22 LEU A 122 22.512 -18.030 11.328 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.919 -18.719 11.721 1.00 1.12 H new ATOM 1899 N LEU A 123 20.295 -22.114 7.307 1.00 0.39 N ATOM 1900 CA LEU A 123 19.248 -23.126 7.288 1.00 0.47 C ATOM 1901 C LEU A 123 19.435 -24.154 8.399 1.00 0.47 C ATOM 1902 O LEU A 123 18.470 -24.775 8.848 1.00 0.59 O ATOM 1903 CB LEU A 123 19.187 -23.798 5.904 1.00 0.55 C ATOM 1904 CG LEU A 123 20.520 -24.308 5.343 1.00 0.58 C ATOM 1905 CD1 LEU A 123 20.829 -25.711 5.840 1.00 1.00 C ATOM 1906 CD2 LEU A 123 20.505 -24.272 3.823 1.00 0.77 C ATOM 0 H LEU A 123 21.125 -22.354 6.765 1.00 0.39 H new ATOM 0 HA LEU A 123 18.295 -22.632 7.475 1.00 0.47 H new ATOM 0 HB2 LEU A 123 18.495 -24.638 5.961 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.766 -23.085 5.195 1.00 0.55 H new ATOM 0 HG LEU A 123 21.309 -23.647 5.701 1.00 0.58 H new ATOM 0 HD11 LEU A 123 21.780 -26.043 5.424 1.00 1.00 H new ATOM 0 HD12 LEU A 123 20.891 -25.706 6.928 1.00 1.00 H new ATOM 0 HD13 LEU A 123 20.038 -26.391 5.525 1.00 1.00 H new ATOM 0 HD21 LEU A 123 21.458 -24.637 3.441 1.00 0.77 H new ATOM 0 HD22 LEU A 123 19.699 -24.905 3.452 1.00 0.77 H new ATOM 0 HD23 LEU A 123 20.347 -23.248 3.485 1.00 0.77 H new ATOM 1918 N SER A 124 20.670 -24.336 8.844 1.00 0.44 N ATOM 1919 CA SER A 124 20.962 -25.272 9.923 1.00 0.47 C ATOM 1920 C SER A 124 22.230 -24.862 10.657 1.00 0.43 C ATOM 1921 O SER A 124 23.174 -24.367 10.050 1.00 0.48 O ATOM 1922 CB SER A 124 21.110 -26.694 9.377 1.00 0.63 C ATOM 1923 OG SER A 124 19.899 -27.143 8.786 1.00 1.19 O ATOM 0 H SER A 124 21.487 -23.849 8.475 1.00 0.44 H new ATOM 0 HA SER A 124 20.128 -25.252 10.625 1.00 0.47 H new ATOM 0 HB2 SER A 124 21.911 -26.722 8.638 1.00 0.63 H new ATOM 0 HB3 SER A 124 21.397 -27.369 10.184 1.00 0.63 H new ATOM 0 HG SER A 124 19.218 -26.443 8.865 1.00 1.19 H new ATOM 1929 N PHE A 125 22.225 -25.041 11.968 1.00 0.39 N ATOM 1930 CA PHE A 125 23.397 -24.789 12.793 1.00 0.43 C ATOM 1931 C PHE A 125 23.172 -25.374 14.172 1.00 0.46 C ATOM 1932 O PHE A 125 22.106 -25.928 14.445 1.00 0.46 O ATOM 1933 CB PHE A 125 23.717 -23.291 12.898 1.00 0.46 C ATOM 1934 CG PHE A 125 22.701 -22.470 13.647 1.00 0.46 C ATOM 1935 CD1 PHE A 125 21.355 -22.560 13.346 1.00 0.44 C ATOM 1936 CD2 PHE A 125 23.103 -21.586 14.635 1.00 0.62 C ATOM 1937 CE1 PHE A 125 20.429 -21.790 14.014 1.00 0.54 C ATOM 1938 CE2 PHE A 125 22.179 -20.814 15.312 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.841 -20.917 15.000 1.00 0.67 C ATOM 0 H PHE A 125 21.411 -25.364 12.490 1.00 0.39 H new ATOM 0 HA PHE A 125 24.254 -25.268 12.319 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.685 -23.176 13.386 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.817 -22.886 11.891 1.00 0.46 H new ATOM 0 HD1 PHE A 125 21.025 -23.243 12.577 1.00 0.44 H new ATOM 0 HD2 PHE A 125 24.152 -21.499 14.879 1.00 0.62 H new ATOM 0 HE1 PHE A 125 19.381 -21.869 13.766 1.00 0.54 H new ATOM 0 HE2 PHE A 125 22.504 -20.132 16.083 1.00 0.72 H new ATOM 0 HZ PHE A 125 20.115 -20.315 15.527 1.00 0.67 H new ATOM 1949 N ARG A 126 24.155 -25.235 15.044 1.00 0.60 N ATOM 1950 CA ARG A 126 24.074 -25.825 16.366 1.00 0.71 C ATOM 1951 C ARG A 126 25.039 -25.137 17.322 1.00 0.76 C ATOM 1952 O ARG A 126 25.998 -24.488 16.898 1.00 0.90 O ATOM 1953 CB ARG A 126 24.369 -27.323 16.268 1.00 0.83 C ATOM 1954 CG ARG A 126 25.692 -27.628 15.592 1.00 0.85 C ATOM 1955 CD ARG A 126 25.790 -29.092 15.203 1.00 1.12 C ATOM 1956 NE ARG A 126 25.280 -29.342 13.854 1.00 1.57 N ATOM 1957 CZ ARG A 126 24.120 -29.942 13.574 1.00 2.14 C ATOM 1958 NH1 ARG A 126 23.303 -30.319 14.554 1.00 2.47 N ATOM 1959 NH2 ARG A 126 23.786 -30.152 12.306 1.00 2.98 N ATOM 0 H ARG A 126 25.016 -24.720 14.860 1.00 0.60 H new ATOM 0 HA ARG A 126 23.068 -25.688 16.763 1.00 0.71 H new ATOM 0 HB2 ARG A 126 24.373 -27.752 17.270 1.00 0.83 H new ATOM 0 HB3 ARG A 126 23.565 -27.810 15.716 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.800 -27.006 14.704 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.512 -27.372 16.262 1.00 0.85 H new ATOM 0 HD2 ARG A 126 26.830 -29.413 15.261 1.00 1.12 H new ATOM 0 HD3 ARG A 126 25.230 -29.694 15.918 1.00 1.12 H new ATOM 0 HE ARG A 126 25.854 -29.035 13.069 1.00 1.57 H new ATOM 0 HH11 ARG A 126 23.561 -30.150 15.526 1.00 2.47 H new ATOM 0 HH12 ARG A 126 22.419 -30.777 14.333 1.00 2.47 H new ATOM 0 HH21 ARG A 126 24.413 -29.856 11.558 1.00 2.98 H new ATOM 0 HH22 ARG A 126 22.903 -30.609 12.080 1.00 2.98 H new ATOM 1973 N GLU A 127 24.763 -25.273 18.608 1.00 0.82 N ATOM 1974 CA GLU A 127 25.560 -24.650 19.653 1.00 0.88 C ATOM 1975 C GLU A 127 26.652 -25.602 20.131 1.00 1.01 C ATOM 1976 O GLU A 127 26.364 -26.664 20.684 1.00 1.11 O ATOM 1977 CB GLU A 127 24.671 -24.235 20.842 1.00 1.10 C ATOM 1978 CG GLU A 127 23.166 -24.402 20.613 1.00 1.68 C ATOM 1979 CD GLU A 127 22.703 -25.845 20.709 1.00 2.69 C ATOM 1980 OE1 GLU A 127 22.763 -26.567 19.689 1.00 3.38 O ATOM 1981 OE2 GLU A 127 22.286 -26.269 21.806 1.00 3.18 O ATOM 0 H GLU A 127 23.977 -25.821 18.959 1.00 0.82 H new ATOM 0 HA GLU A 127 26.026 -23.757 19.236 1.00 0.88 H new ATOM 0 HB2 GLU A 127 24.958 -24.823 21.714 1.00 1.10 H new ATOM 0 HB3 GLU A 127 24.873 -23.191 21.081 1.00 1.10 H new ATOM 0 HG2 GLU A 127 22.625 -23.804 21.346 1.00 1.68 H new ATOM 0 HG3 GLU A 127 22.909 -24.009 19.629 1.00 1.68 H new