USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 114 THR OG1 : rot 94:sc= 0.172 USER MOD Set 1.2: A 116 ASN : amide:sc= -2.15! C(o=-2!,f=-3.5!) USER MOD Set 2.1: A 71 THR OG1 : rot 120:sc= -9.4! USER MOD Set 2.2: A 144 SER OG : rot 180:sc= -0.768 USER MOD Set 3.1: A 27 THR OG1 : rot 105:sc= 0.0636! USER MOD Set 3.2: A 28 SER OG : rot 160:sc= -0.142! USER MOD Single : A 12 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-2) USER MOD Single : A 13 THR OG1 : rot -64:sc= -3.92! USER MOD Single : A 14 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -157:sc= -0.155 (180deg=-0.719) USER MOD Single : A 45 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -11.9! C(o=-12!,f=-6.3!) USER MOD Single : A 55 TYR OH : rot 0:sc= -3.97! USER MOD Single : A 56 ASN : amide:sc= -2.61 K(o=-2.6,f=-0.73) USER MOD Single : A 65 SER OG : rot 180:sc= -1.19 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -66:sc= 1.05 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.883 USER MOD Single : A 78 MET CE :methyl -140:sc= -0.863 (180deg=-2.3!) USER MOD Single : A 93 THR OG1 : rot 137:sc= -0.355! USER MOD Single : A 97 GLN : amide:sc=-0.00852 K(o=-0.0085,f=-1.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.22! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 111 TYR OH : rot 150:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -1.01 USER MOD Single : A 118 THR OG1 : rot 46:sc= 0.077 USER MOD Single : A 128 GLN : amide:sc= -0.513! C(o=-0.51!,f=-3.2!) USER MOD Single : A 132 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-5.6!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -150:sc= -0.453 USER MOD Single : A 145 GLN : amide:sc= -2.95! K(o=-3!,f=-1.3) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 48:sc= -10.9! USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -13.439 -8.064 -10.464 1.00 2.11 N ATOM 82 CA VAL A 7 -12.295 -8.890 -10.952 1.00 2.12 C ATOM 83 C VAL A 7 -11.447 -8.065 -11.924 1.00 2.11 C ATOM 84 O VAL A 7 -10.812 -8.587 -12.818 1.00 2.83 O ATOM 85 CB VAL A 7 -12.831 -10.149 -11.625 1.00 2.16 C ATOM 86 CG1 VAL A 7 -13.970 -9.779 -12.578 1.00 2.17 C ATOM 87 CG2 VAL A 7 -11.711 -10.840 -12.406 1.00 2.42 C ATOM 0 HA VAL A 7 -11.665 -9.188 -10.114 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.206 -10.830 -10.861 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.351 -10.681 -13.057 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.772 -9.300 -12.017 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -13.599 -9.093 -13.339 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -12.101 -11.738 -12.884 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -11.327 -10.162 -13.168 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -10.906 -11.113 -11.723 1.00 2.42 H new ATOM 97 N GLU A 8 -11.435 -6.768 -11.735 1.00 1.96 N ATOM 98 CA GLU A 8 -10.644 -5.861 -12.619 1.00 2.32 C ATOM 99 C GLU A 8 -11.201 -4.440 -12.514 1.00 2.30 C ATOM 100 O GLU A 8 -12.010 -4.023 -13.319 1.00 2.59 O ATOM 101 CB GLU A 8 -10.737 -6.323 -14.076 1.00 3.06 C ATOM 102 CG GLU A 8 -9.389 -6.899 -14.511 1.00 3.55 C ATOM 103 CD GLU A 8 -9.526 -7.533 -15.897 1.00 4.20 C ATOM 104 OE1 GLU A 8 -9.915 -6.828 -16.813 1.00 4.75 O ATOM 105 OE2 GLU A 8 -9.239 -8.713 -16.018 1.00 4.42 O ATOM 0 H GLU A 8 -11.949 -6.294 -10.993 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.602 -5.883 -12.301 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -11.518 -7.076 -14.182 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -11.012 -5.486 -14.718 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.636 -6.112 -14.533 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -9.051 -7.644 -13.791 1.00 3.55 H new ATOM 112 N LEU A 9 -10.774 -3.692 -11.536 1.00 2.76 N ATOM 113 CA LEU A 9 -11.280 -2.299 -11.394 1.00 3.48 C ATOM 114 C LEU A 9 -10.351 -1.348 -12.150 1.00 3.43 C ATOM 115 O LEU A 9 -10.368 -0.152 -11.936 1.00 4.12 O ATOM 116 CB LEU A 9 -11.304 -1.913 -9.912 1.00 3.72 C ATOM 117 CG LEU A 9 -12.610 -2.373 -9.259 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.400 -3.738 -8.603 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.024 -1.359 -8.188 1.00 3.49 C ATOM 0 H LEU A 9 -10.098 -3.984 -10.830 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.288 -2.232 -11.803 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.455 -2.365 -9.399 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.200 -0.833 -9.810 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.389 -2.448 -10.018 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.330 -4.065 -8.138 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.098 -4.462 -9.359 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -11.622 -3.661 -7.843 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -13.954 -1.683 -7.720 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.242 -1.289 -7.431 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.171 -0.382 -8.649 1.00 3.49 H new ATOM 131 N LEU A 10 -9.538 -1.865 -13.031 1.00 2.81 N ATOM 132 CA LEU A 10 -8.612 -0.978 -13.792 1.00 2.72 C ATOM 133 C LEU A 10 -7.859 -1.813 -14.835 1.00 2.86 C ATOM 134 O LEU A 10 -6.872 -2.454 -14.535 1.00 2.83 O ATOM 135 CB LEU A 10 -7.630 -0.333 -12.805 1.00 2.41 C ATOM 136 CG LEU A 10 -6.691 0.649 -13.517 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.538 -0.101 -14.180 1.00 1.99 C ATOM 138 CD2 LEU A 10 -7.454 1.447 -14.577 1.00 2.07 C ATOM 0 H LEU A 10 -9.475 -2.858 -13.256 1.00 2.81 H new ATOM 0 HA LEU A 10 -9.168 -0.195 -14.308 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -8.185 0.190 -12.026 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -7.044 -1.109 -12.313 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.291 1.336 -12.771 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.881 0.610 -14.681 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.974 -0.644 -13.422 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.935 -0.805 -14.911 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -6.773 2.139 -15.072 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -7.876 0.763 -15.314 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -8.258 2.008 -14.101 1.00 2.07 H new ATOM 150 N PRO A 11 -8.340 -1.820 -16.053 1.00 3.10 N ATOM 151 CA PRO A 11 -7.723 -2.601 -17.169 1.00 3.32 C ATOM 152 C PRO A 11 -6.249 -2.254 -17.413 1.00 2.96 C ATOM 153 O PRO A 11 -5.816 -2.127 -18.541 1.00 3.09 O ATOM 154 CB PRO A 11 -8.557 -2.227 -18.397 1.00 3.83 C ATOM 155 CG PRO A 11 -9.845 -1.690 -17.868 1.00 3.73 C ATOM 156 CD PRO A 11 -9.534 -1.085 -16.500 1.00 3.29 C ATOM 0 HA PRO A 11 -7.727 -3.666 -16.938 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -8.044 -1.482 -19.006 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.728 -3.096 -19.033 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -10.257 -0.937 -18.540 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.589 -2.482 -17.782 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -9.341 -0.014 -16.571 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -10.366 -1.214 -15.807 1.00 3.29 H new ATOM 164 N HIS A 12 -5.470 -2.112 -16.376 1.00 2.52 N ATOM 165 CA HIS A 12 -4.027 -1.790 -16.574 1.00 2.16 C ATOM 166 C HIS A 12 -3.256 -2.092 -15.289 1.00 1.83 C ATOM 167 O HIS A 12 -3.308 -1.347 -14.332 1.00 1.69 O ATOM 168 CB HIS A 12 -3.859 -0.312 -16.936 1.00 2.13 C ATOM 169 CG HIS A 12 -2.595 -0.133 -17.730 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.535 -0.374 -19.094 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.333 0.266 -17.363 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.276 -0.122 -19.496 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.501 0.271 -18.480 1.00 1.82 N ATOM 0 H HIS A 12 -5.767 -2.204 -15.405 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.637 -2.400 -17.388 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.717 0.032 -17.514 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.822 0.294 -16.031 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -1.032 0.535 -16.361 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.933 -0.225 -20.515 1.00 1.94 H new ATOM 0 HE2 HIS A 12 0.487 0.521 -18.515 1.00 1.82 H new ATOM 181 N THR A 13 -2.540 -3.182 -15.264 1.00 1.82 N ATOM 182 CA THR A 13 -1.765 -3.536 -14.043 1.00 1.56 C ATOM 183 C THR A 13 -0.523 -4.333 -14.444 1.00 1.39 C ATOM 184 O THR A 13 -0.202 -5.340 -13.846 1.00 1.58 O ATOM 185 CB THR A 13 -2.637 -4.384 -13.116 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.806 -5.183 -12.287 1.00 1.59 O ATOM 187 CG2 THR A 13 -3.545 -5.287 -13.952 1.00 1.97 C ATOM 0 H THR A 13 -2.458 -3.843 -16.037 1.00 1.82 H new ATOM 0 HA THR A 13 -1.462 -2.626 -13.526 1.00 1.56 H new ATOM 0 HB THR A 13 -3.250 -3.731 -12.495 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.302 -5.815 -12.841 1.00 1.59 H new ATOM 0 HG21 THR A 13 -4.166 -5.891 -13.291 1.00 1.97 H new ATOM 0 HG22 THR A 13 -4.183 -4.673 -14.588 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.934 -5.941 -14.574 1.00 1.97 H new ATOM 195 N SER A 14 0.176 -3.894 -15.454 1.00 1.20 N ATOM 196 CA SER A 14 1.395 -4.633 -15.891 1.00 1.07 C ATOM 197 C SER A 14 2.491 -3.635 -16.269 1.00 1.04 C ATOM 198 O SER A 14 2.558 -3.168 -17.390 1.00 1.10 O ATOM 199 CB SER A 14 1.057 -5.502 -17.102 1.00 1.14 C ATOM 200 OG SER A 14 2.235 -5.724 -17.865 1.00 1.96 O ATOM 0 H SER A 14 -0.043 -3.057 -15.995 1.00 1.20 H new ATOM 0 HA SER A 14 1.747 -5.266 -15.076 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.637 -6.453 -16.775 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.300 -5.013 -17.715 1.00 1.14 H new ATOM 0 HG SER A 14 2.021 -6.282 -18.642 1.00 1.96 H new ATOM 206 N PHE A 15 3.353 -3.308 -15.347 1.00 1.01 N ATOM 207 CA PHE A 15 4.446 -2.343 -15.656 1.00 1.00 C ATOM 208 C PHE A 15 5.521 -3.049 -16.485 1.00 1.00 C ATOM 209 O PHE A 15 6.702 -2.846 -16.289 1.00 0.98 O ATOM 210 CB PHE A 15 5.062 -1.834 -14.351 1.00 0.98 C ATOM 211 CG PHE A 15 4.092 -0.905 -13.660 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.842 -1.380 -13.246 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.445 0.430 -13.433 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.944 -0.519 -12.605 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.547 1.292 -12.791 1.00 1.76 C ATOM 216 CZ PHE A 15 2.296 0.817 -12.377 1.00 0.95 C ATOM 0 H PHE A 15 3.348 -3.667 -14.392 1.00 1.01 H new ATOM 0 HA PHE A 15 4.043 -1.501 -16.218 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.303 -2.674 -13.699 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.996 -1.312 -14.558 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.571 -2.411 -13.421 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.410 0.795 -13.753 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.979 -0.885 -12.286 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.819 2.322 -12.615 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.603 1.481 -11.882 1.00 0.95 H new ATOM 226 N ALA A 16 5.120 -3.881 -17.406 1.00 1.06 N ATOM 227 CA ALA A 16 6.118 -4.604 -18.244 1.00 1.09 C ATOM 228 C ALA A 16 6.437 -3.781 -19.494 1.00 1.10 C ATOM 229 O ALA A 16 7.543 -3.802 -19.995 1.00 1.18 O ATOM 230 CB ALA A 16 5.544 -5.960 -18.660 1.00 1.14 C ATOM 0 H ALA A 16 4.144 -4.092 -17.615 1.00 1.06 H new ATOM 0 HA ALA A 16 7.032 -4.753 -17.669 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.272 -6.491 -19.273 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.321 -6.549 -17.770 1.00 1.14 H new ATOM 0 HB3 ALA A 16 4.630 -5.808 -19.233 1.00 1.14 H new ATOM 236 N GLU A 17 5.477 -3.057 -20.003 1.00 1.15 N ATOM 237 CA GLU A 17 5.728 -2.240 -21.221 1.00 1.19 C ATOM 238 C GLU A 17 5.727 -0.755 -20.853 1.00 1.29 C ATOM 239 O GLU A 17 6.765 -0.131 -20.756 1.00 1.41 O ATOM 240 CB GLU A 17 4.626 -2.512 -22.246 1.00 1.32 C ATOM 241 CG GLU A 17 5.044 -3.671 -23.152 1.00 1.41 C ATOM 242 CD GLU A 17 3.816 -4.218 -23.882 1.00 1.67 C ATOM 243 OE1 GLU A 17 2.729 -4.098 -23.342 1.00 1.96 O ATOM 244 OE2 GLU A 17 3.983 -4.748 -24.968 1.00 2.13 O ATOM 0 H GLU A 17 4.531 -2.997 -19.627 1.00 1.15 H new ATOM 0 HA GLU A 17 6.697 -2.505 -21.644 1.00 1.19 H new ATOM 0 HB2 GLU A 17 3.693 -2.753 -21.737 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.442 -1.619 -22.843 1.00 1.32 H new ATOM 0 HG2 GLU A 17 5.788 -3.332 -23.873 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.509 -4.459 -22.560 1.00 1.41 H new ATOM 251 N SER A 18 4.572 -0.184 -20.649 1.00 1.41 N ATOM 252 CA SER A 18 4.510 1.260 -20.289 1.00 1.64 C ATOM 253 C SER A 18 4.024 1.407 -18.847 1.00 1.51 C ATOM 254 O SER A 18 3.189 0.654 -18.383 1.00 1.30 O ATOM 255 CB SER A 18 3.541 1.979 -21.228 1.00 2.02 C ATOM 256 OG SER A 18 2.318 1.256 -21.285 1.00 2.26 O ATOM 0 H SER A 18 3.669 -0.655 -20.716 1.00 1.41 H new ATOM 0 HA SER A 18 5.503 1.700 -20.384 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.360 2.994 -20.875 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.975 2.061 -22.224 1.00 2.02 H new ATOM 0 HG SER A 18 1.694 1.715 -21.885 1.00 2.26 H new ATOM 262 N LEU A 19 4.541 2.368 -18.132 1.00 1.67 N ATOM 263 CA LEU A 19 4.108 2.560 -16.719 1.00 1.59 C ATOM 264 C LEU A 19 2.579 2.573 -16.648 1.00 1.72 C ATOM 265 O LEU A 19 1.990 2.122 -15.685 1.00 2.45 O ATOM 266 CB LEU A 19 4.656 3.888 -16.190 1.00 1.61 C ATOM 267 CG LEU A 19 4.009 5.051 -16.945 1.00 1.71 C ATOM 268 CD1 LEU A 19 4.472 6.375 -16.334 1.00 2.60 C ATOM 269 CD2 LEU A 19 4.427 4.999 -18.416 1.00 1.37 C ATOM 0 H LEU A 19 5.244 3.028 -18.465 1.00 1.67 H new ATOM 0 HA LEU A 19 4.492 1.742 -16.110 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.453 3.977 -15.123 1.00 1.61 H new ATOM 0 HB3 LEU A 19 5.739 3.920 -16.312 1.00 1.61 H new ATOM 0 HG LEU A 19 2.924 4.974 -16.871 1.00 1.71 H new ATOM 0 HD11 LEU A 19 4.012 7.204 -16.871 1.00 2.60 H new ATOM 0 HD12 LEU A 19 4.178 6.414 -15.285 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.557 6.451 -16.410 1.00 2.60 H new ATOM 0 HD21 LEU A 19 3.966 5.827 -18.955 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.512 5.077 -18.489 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.101 4.056 -18.854 1.00 1.37 H new ATOM 281 N GLY A 20 1.930 3.086 -17.657 1.00 1.44 N ATOM 282 CA GLY A 20 0.440 3.125 -17.642 1.00 1.58 C ATOM 283 C GLY A 20 -0.030 4.445 -17.029 1.00 1.59 C ATOM 284 O GLY A 20 0.707 5.410 -16.977 1.00 1.62 O ATOM 0 H GLY A 20 2.366 3.480 -18.491 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.053 3.025 -18.656 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.049 2.285 -17.067 1.00 1.58 H new ATOM 288 N PRO A 21 -1.251 4.486 -16.568 1.00 1.60 N ATOM 289 CA PRO A 21 -1.836 5.706 -15.946 1.00 1.60 C ATOM 290 C PRO A 21 -1.338 5.922 -14.514 1.00 1.43 C ATOM 291 O PRO A 21 -1.576 6.950 -13.912 1.00 1.67 O ATOM 292 CB PRO A 21 -3.340 5.431 -15.956 1.00 1.68 C ATOM 293 CG PRO A 21 -3.475 3.944 -15.943 1.00 1.70 C ATOM 294 CD PRO A 21 -2.210 3.370 -16.588 1.00 1.63 C ATOM 0 HA PRO A 21 -1.556 6.611 -16.485 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.826 5.877 -15.088 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.811 5.860 -16.840 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.588 3.577 -14.923 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.363 3.633 -16.494 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.834 2.512 -16.030 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.402 3.029 -17.605 1.00 1.63 H new ATOM 302 N TRP A 22 -0.646 4.959 -13.967 1.00 1.30 N ATOM 303 CA TRP A 22 -0.131 5.112 -12.577 1.00 1.15 C ATOM 304 C TRP A 22 0.956 6.189 -12.564 1.00 1.24 C ATOM 305 O TRP A 22 1.644 6.399 -13.543 1.00 1.48 O ATOM 306 CB TRP A 22 0.450 3.779 -12.098 1.00 1.19 C ATOM 307 CG TRP A 22 -0.654 2.779 -11.938 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.590 2.496 -12.874 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.954 1.927 -10.792 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.443 1.527 -12.378 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.094 1.144 -11.098 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.356 1.759 -9.530 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.620 0.227 -10.184 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.881 0.838 -8.609 1.00 2.42 C ATOM 315 CH2 TRP A 22 -2.011 0.073 -8.933 1.00 2.39 C ATOM 0 H TRP A 22 -0.416 4.075 -14.422 1.00 1.30 H new ATOM 0 HA TRP A 22 -0.942 5.406 -11.911 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.185 3.413 -12.814 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.970 3.917 -11.150 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.659 2.953 -13.850 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.234 1.142 -12.895 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.514 2.343 -9.267 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.490 -0.359 -10.441 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.411 0.718 -7.644 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.410 -0.633 -8.220 1.00 2.39 H new ATOM 326 N SER A 23 1.112 6.883 -11.469 1.00 1.20 N ATOM 327 CA SER A 23 2.148 7.953 -11.408 1.00 1.36 C ATOM 328 C SER A 23 3.290 7.526 -10.482 1.00 1.28 C ATOM 329 O SER A 23 3.198 6.537 -9.782 1.00 1.33 O ATOM 330 CB SER A 23 1.517 9.238 -10.870 1.00 1.45 C ATOM 331 OG SER A 23 1.018 10.006 -11.957 1.00 1.64 O ATOM 0 H SER A 23 0.568 6.755 -10.616 1.00 1.20 H new ATOM 0 HA SER A 23 2.543 8.124 -12.409 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.710 8.998 -10.178 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.255 9.813 -10.312 1.00 1.45 H new ATOM 0 HG SER A 23 0.611 10.830 -11.616 1.00 1.64 H new ATOM 337 N LEU A 24 4.365 8.268 -10.474 1.00 1.31 N ATOM 338 CA LEU A 24 5.513 7.911 -9.594 1.00 1.25 C ATOM 339 C LEU A 24 6.600 8.980 -9.710 1.00 1.30 C ATOM 340 O LEU A 24 6.589 9.796 -10.610 1.00 1.47 O ATOM 341 CB LEU A 24 6.081 6.554 -10.016 1.00 1.40 C ATOM 342 CG LEU A 24 6.844 6.707 -11.333 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.348 6.620 -11.066 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.432 5.588 -12.292 1.00 2.05 C ATOM 0 H LEU A 24 4.497 9.106 -11.040 1.00 1.31 H new ATOM 0 HA LEU A 24 5.171 7.854 -8.561 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.745 6.169 -9.242 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.274 5.831 -10.133 1.00 1.40 H new ATOM 0 HG LEU A 24 6.610 7.674 -11.778 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.891 6.729 -12.005 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.643 7.416 -10.382 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.583 5.653 -10.621 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.975 5.695 -13.231 1.00 2.05 H new ATOM 0 HD22 LEU A 24 6.667 4.622 -11.846 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.361 5.649 -12.483 1.00 2.05 H new ATOM 356 N TYR A 25 7.534 8.988 -8.798 1.00 1.23 N ATOM 357 CA TYR A 25 8.616 10.010 -8.850 1.00 1.38 C ATOM 358 C TYR A 25 9.369 10.025 -7.518 1.00 1.34 C ATOM 359 O TYR A 25 9.241 9.126 -6.710 1.00 1.42 O ATOM 360 CB TYR A 25 7.995 11.387 -9.092 1.00 1.72 C ATOM 361 CG TYR A 25 6.585 11.408 -8.547 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.264 10.670 -7.400 1.00 1.22 C ATOM 363 CD2 TYR A 25 5.597 12.162 -9.192 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.958 10.688 -6.898 1.00 1.27 C ATOM 365 CE2 TYR A 25 4.290 12.179 -8.690 1.00 1.57 C ATOM 366 CZ TYR A 25 3.970 11.442 -7.543 1.00 1.08 C ATOM 367 OH TYR A 25 2.682 11.459 -7.049 1.00 1.63 O ATOM 0 H TYR A 25 7.594 8.331 -8.020 1.00 1.23 H new ATOM 0 HA TYR A 25 9.308 9.768 -9.657 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.595 12.158 -8.608 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.987 11.612 -10.159 1.00 1.72 H new ATOM 0 HD1 TYR A 25 7.025 10.087 -6.903 1.00 1.22 H new ATOM 0 HD2 TYR A 25 5.843 12.730 -10.077 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.712 10.120 -6.013 1.00 1.27 H new ATOM 0 HE2 TYR A 25 3.528 12.761 -9.188 1.00 1.57 H new ATOM 0 HH TYR A 25 2.123 12.032 -7.614 1.00 1.63 H new ATOM 377 N GLY A 26 10.144 11.046 -7.277 1.00 1.33 N ATOM 378 CA GLY A 26 10.894 11.128 -5.992 1.00 1.32 C ATOM 379 C GLY A 26 12.100 10.186 -6.023 1.00 1.25 C ATOM 380 O GLY A 26 13.042 10.351 -5.274 1.00 1.70 O ATOM 0 H GLY A 26 10.291 11.828 -7.915 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.227 12.152 -5.822 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.238 10.864 -5.162 1.00 1.32 H new ATOM 384 N THR A 27 12.083 9.197 -6.875 1.00 0.93 N ATOM 385 CA THR A 27 13.239 8.258 -6.931 1.00 0.90 C ATOM 386 C THR A 27 14.011 8.477 -8.234 1.00 0.92 C ATOM 387 O THR A 27 14.131 9.585 -8.717 1.00 0.97 O ATOM 388 CB THR A 27 12.705 6.818 -6.859 1.00 0.88 C ATOM 389 OG1 THR A 27 13.430 5.969 -7.736 1.00 0.73 O ATOM 390 CG2 THR A 27 11.226 6.802 -7.247 1.00 0.95 C ATOM 0 H THR A 27 11.326 9.000 -7.529 1.00 0.93 H new ATOM 0 HA THR A 27 13.914 8.436 -6.094 1.00 0.90 H new ATOM 0 HB THR A 27 12.826 6.454 -5.839 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.042 5.408 -7.216 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.847 5.781 -7.196 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.663 7.433 -6.559 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.112 7.181 -8.263 1.00 0.95 H new ATOM 398 N SER A 28 14.519 7.429 -8.813 1.00 1.12 N ATOM 399 CA SER A 28 15.268 7.565 -10.092 1.00 1.40 C ATOM 400 C SER A 28 14.297 7.370 -11.256 1.00 1.29 C ATOM 401 O SER A 28 13.098 7.501 -11.103 1.00 0.98 O ATOM 402 CB SER A 28 16.368 6.503 -10.159 1.00 1.80 C ATOM 403 OG SER A 28 15.792 5.219 -9.960 1.00 1.73 O ATOM 0 H SER A 28 14.448 6.477 -8.454 1.00 1.12 H new ATOM 0 HA SER A 28 15.723 8.554 -10.150 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.870 6.543 -11.125 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.124 6.697 -9.398 1.00 1.80 H new ATOM 0 HG SER A 28 16.398 4.531 -10.307 1.00 1.73 H new ATOM 409 N GLU A 29 14.799 7.039 -12.412 1.00 1.62 N ATOM 410 CA GLU A 29 13.894 6.819 -13.573 1.00 1.60 C ATOM 411 C GLU A 29 13.492 5.340 -13.606 1.00 1.23 C ATOM 412 O GLU A 29 14.339 4.470 -13.579 1.00 1.37 O ATOM 413 CB GLU A 29 14.626 7.180 -14.868 1.00 2.07 C ATOM 414 CG GLU A 29 15.256 8.567 -14.729 1.00 1.86 C ATOM 415 CD GLU A 29 16.771 8.427 -14.576 1.00 1.99 C ATOM 416 OE1 GLU A 29 17.195 7.514 -13.888 1.00 2.35 O ATOM 417 OE2 GLU A 29 17.481 9.237 -15.149 1.00 2.40 O ATOM 0 H GLU A 29 15.793 6.912 -12.603 1.00 1.62 H new ATOM 0 HA GLU A 29 13.007 7.445 -13.479 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.396 6.439 -15.081 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.930 7.167 -15.707 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.023 9.173 -15.604 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.839 9.082 -13.864 1.00 1.86 H new ATOM 424 N PRO A 30 12.218 5.048 -13.660 1.00 0.95 N ATOM 425 CA PRO A 30 11.730 3.638 -13.691 1.00 0.81 C ATOM 426 C PRO A 30 12.082 2.952 -15.012 1.00 0.80 C ATOM 427 O PRO A 30 11.939 3.526 -16.074 1.00 0.86 O ATOM 428 CB PRO A 30 10.212 3.762 -13.535 1.00 0.94 C ATOM 429 CG PRO A 30 9.872 5.151 -13.963 1.00 1.13 C ATOM 430 CD PRO A 30 11.108 6.013 -13.702 1.00 1.10 C ATOM 0 HA PRO A 30 12.187 3.030 -12.911 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.694 3.026 -14.150 1.00 0.94 H new ATOM 0 HB3 PRO A 30 9.909 3.586 -12.503 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.601 5.174 -15.019 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.014 5.527 -13.406 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.252 6.752 -14.490 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.021 6.561 -12.764 1.00 1.10 H new ATOM 438 N VAL A 31 12.554 1.737 -14.962 1.00 0.80 N ATOM 439 CA VAL A 31 12.924 1.041 -16.228 1.00 0.82 C ATOM 440 C VAL A 31 12.131 -0.259 -16.372 1.00 0.78 C ATOM 441 O VAL A 31 12.347 -1.213 -15.651 1.00 0.84 O ATOM 442 CB VAL A 31 14.420 0.722 -16.212 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.160 1.698 -17.128 1.00 0.99 C ATOM 444 CG2 VAL A 31 14.954 0.860 -14.784 1.00 1.05 C ATOM 0 H VAL A 31 12.699 1.199 -14.108 1.00 0.80 H new ATOM 0 HA VAL A 31 12.691 1.692 -17.070 1.00 0.82 H new ATOM 0 HB VAL A 31 14.578 -0.297 -16.564 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.226 1.471 -17.117 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.779 1.602 -18.145 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.003 2.718 -16.776 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.020 0.633 -14.771 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.796 1.880 -14.433 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.427 0.166 -14.130 1.00 1.05 H new ATOM 454 N PHE A 32 11.226 -0.308 -17.315 1.00 0.74 N ATOM 455 CA PHE A 32 10.429 -1.550 -17.531 1.00 0.77 C ATOM 456 C PHE A 32 11.313 -2.607 -18.196 1.00 0.87 C ATOM 457 O PHE A 32 11.186 -2.895 -19.369 1.00 1.19 O ATOM 458 CB PHE A 32 9.223 -1.237 -18.420 1.00 0.78 C ATOM 459 CG PHE A 32 9.541 -0.070 -19.326 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.776 0.002 -19.981 1.00 1.63 C ATOM 461 CD2 PHE A 32 8.592 0.943 -19.508 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.062 1.088 -20.817 1.00 1.82 C ATOM 463 CE2 PHE A 32 8.877 2.028 -20.344 1.00 1.78 C ATOM 464 CZ PHE A 32 10.113 2.101 -20.999 1.00 1.56 C ATOM 0 H PHE A 32 11.005 0.462 -17.946 1.00 0.74 H new ATOM 0 HA PHE A 32 10.073 -1.931 -16.574 1.00 0.77 H new ATOM 0 HB2 PHE A 32 8.963 -2.112 -19.017 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.356 -1.003 -17.802 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.508 -0.780 -19.842 1.00 1.63 H new ATOM 0 HD2 PHE A 32 7.639 0.887 -19.003 1.00 1.50 H new ATOM 0 HE1 PHE A 32 12.015 1.144 -21.322 1.00 1.82 H new ATOM 0 HE2 PHE A 32 8.144 2.809 -20.484 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.334 2.938 -21.644 1.00 1.56 H new ATOM 474 N ALA A 33 12.215 -3.182 -17.448 1.00 0.77 N ATOM 475 CA ALA A 33 13.120 -4.216 -18.025 1.00 0.84 C ATOM 476 C ALA A 33 12.320 -5.471 -18.375 1.00 0.67 C ATOM 477 O ALA A 33 11.216 -5.394 -18.877 1.00 0.92 O ATOM 478 CB ALA A 33 14.201 -4.573 -17.002 1.00 1.17 C ATOM 0 H ALA A 33 12.364 -2.979 -16.460 1.00 0.77 H new ATOM 0 HA ALA A 33 13.584 -3.822 -18.929 1.00 0.84 H new ATOM 0 HB1 ALA A 33 14.864 -5.329 -17.422 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.778 -3.681 -16.756 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.732 -4.963 -16.098 1.00 1.17 H new ATOM 484 N ASP A 34 12.870 -6.626 -18.117 1.00 0.77 N ATOM 485 CA ASP A 34 12.146 -7.889 -18.437 1.00 0.85 C ATOM 486 C ASP A 34 10.696 -7.781 -17.963 1.00 0.84 C ATOM 487 O ASP A 34 10.348 -8.233 -16.890 1.00 0.99 O ATOM 488 CB ASP A 34 12.828 -9.062 -17.729 1.00 1.13 C ATOM 489 CG ASP A 34 12.038 -10.346 -17.989 1.00 1.54 C ATOM 490 OD1 ASP A 34 11.133 -10.627 -17.220 1.00 2.21 O ATOM 491 OD2 ASP A 34 12.352 -11.026 -18.951 1.00 1.78 O ATOM 0 H ASP A 34 13.791 -6.750 -17.698 1.00 0.77 H new ATOM 0 HA ASP A 34 12.164 -8.054 -19.514 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.851 -9.173 -18.089 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.887 -8.869 -16.658 1.00 1.13 H new ATOM 496 N GLY A 35 9.848 -7.184 -18.754 1.00 0.84 N ATOM 497 CA GLY A 35 8.422 -7.047 -18.350 1.00 1.02 C ATOM 498 C GLY A 35 8.344 -6.656 -16.872 1.00 0.90 C ATOM 499 O GLY A 35 7.450 -7.069 -16.160 1.00 1.19 O ATOM 0 H GLY A 35 10.082 -6.785 -19.663 1.00 0.84 H new ATOM 0 HA2 GLY A 35 7.930 -6.292 -18.963 1.00 1.02 H new ATOM 0 HA3 GLY A 35 7.894 -7.986 -18.517 1.00 1.02 H new ATOM 503 N ARG A 36 9.270 -5.864 -16.403 1.00 0.66 N ATOM 504 CA ARG A 36 9.237 -5.452 -14.971 1.00 0.63 C ATOM 505 C ARG A 36 9.824 -4.049 -14.826 1.00 0.62 C ATOM 506 O ARG A 36 10.777 -3.691 -15.491 1.00 0.68 O ATOM 507 CB ARG A 36 10.063 -6.430 -14.134 1.00 0.70 C ATOM 508 CG ARG A 36 11.488 -6.501 -14.686 1.00 1.16 C ATOM 509 CD ARG A 36 12.253 -7.622 -13.981 1.00 1.40 C ATOM 510 NE ARG A 36 11.915 -8.928 -14.613 1.00 2.02 N ATOM 511 CZ ARG A 36 12.659 -9.977 -14.382 1.00 2.19 C ATOM 512 NH1 ARG A 36 13.697 -9.880 -13.596 1.00 2.28 N ATOM 513 NH2 ARG A 36 12.364 -11.120 -14.936 1.00 2.91 N ATOM 0 H ARG A 36 10.045 -5.486 -16.947 1.00 0.66 H new ATOM 0 HA ARG A 36 8.204 -5.455 -14.623 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.081 -6.108 -13.093 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.605 -7.419 -14.154 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.464 -6.682 -15.761 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.996 -5.549 -14.535 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.326 -7.441 -14.046 1.00 1.40 H new ATOM 0 HD3 ARG A 36 11.997 -7.641 -12.922 1.00 1.40 H new ATOM 0 HE ARG A 36 11.103 -9.003 -15.226 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.927 -8.986 -13.163 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.278 -10.699 -13.415 1.00 2.28 H new ATOM 0 HH21 ARG A 36 11.553 -11.195 -15.550 1.00 2.91 H new ATOM 0 HH22 ARG A 36 12.945 -11.939 -14.756 1.00 2.91 H new ATOM 527 N MET A 37 9.266 -3.253 -13.956 1.00 0.63 N ATOM 528 CA MET A 37 9.791 -1.873 -13.763 1.00 0.67 C ATOM 529 C MET A 37 10.411 -1.751 -12.372 1.00 0.68 C ATOM 530 O MET A 37 9.797 -2.075 -11.375 1.00 0.67 O ATOM 531 CB MET A 37 8.648 -0.867 -13.906 1.00 0.71 C ATOM 532 CG MET A 37 9.210 0.556 -13.873 1.00 0.75 C ATOM 533 SD MET A 37 9.773 0.945 -12.199 1.00 0.88 S ATOM 534 CE MET A 37 8.139 1.178 -11.457 1.00 0.93 C ATOM 0 H MET A 37 8.468 -3.499 -13.370 1.00 0.63 H new ATOM 0 HA MET A 37 10.551 -1.666 -14.516 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.115 -1.037 -14.842 1.00 0.71 H new ATOM 0 HB3 MET A 37 7.927 -1.003 -13.100 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.037 0.648 -14.577 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.446 1.267 -14.185 1.00 0.75 H new ATOM 0 HE1 MET A 37 8.228 1.804 -10.569 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.478 1.661 -12.177 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.725 0.209 -11.177 1.00 0.93 H new ATOM 544 N CYS A 38 11.627 -1.287 -12.299 1.00 0.73 N ATOM 545 CA CYS A 38 12.287 -1.149 -10.971 1.00 0.78 C ATOM 546 C CYS A 38 12.717 0.302 -10.753 1.00 0.89 C ATOM 547 O CYS A 38 13.228 0.952 -11.644 1.00 0.88 O ATOM 548 CB CYS A 38 13.520 -2.053 -10.917 1.00 0.79 C ATOM 549 SG CYS A 38 13.580 -2.905 -9.321 1.00 1.06 S ATOM 0 H CYS A 38 12.191 -0.998 -13.098 1.00 0.73 H new ATOM 0 HA CYS A 38 11.583 -1.439 -10.191 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.486 -2.781 -11.728 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.424 -1.461 -11.058 1.00 0.79 H new ATOM 554 N VAL A 39 12.525 0.808 -9.566 1.00 1.04 N ATOM 555 CA VAL A 39 12.933 2.209 -9.270 1.00 1.18 C ATOM 556 C VAL A 39 14.029 2.178 -8.204 1.00 1.37 C ATOM 557 O VAL A 39 14.081 1.284 -7.382 1.00 1.26 O ATOM 558 CB VAL A 39 11.737 3.003 -8.741 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.100 3.794 -9.886 1.00 1.26 C ATOM 560 CG2 VAL A 39 10.703 2.041 -8.152 1.00 1.26 C ATOM 0 H VAL A 39 12.101 0.308 -8.785 1.00 1.04 H new ATOM 0 HA VAL A 39 13.298 2.686 -10.180 1.00 1.18 H new ATOM 0 HB VAL A 39 12.076 3.692 -7.967 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.248 4.359 -9.508 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.834 4.482 -10.306 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.763 3.105 -10.661 1.00 1.26 H new ATOM 0 HG21 VAL A 39 9.852 2.608 -7.776 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.366 1.351 -8.925 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.154 1.478 -7.335 1.00 1.26 H new ATOM 570 N ASP A 40 14.906 3.143 -8.206 1.00 1.71 N ATOM 571 CA ASP A 40 15.992 3.157 -7.187 1.00 1.97 C ATOM 572 C ASP A 40 15.450 3.729 -5.877 1.00 1.61 C ATOM 573 O ASP A 40 15.006 4.859 -5.821 1.00 2.31 O ATOM 574 CB ASP A 40 17.148 4.027 -7.685 1.00 3.21 C ATOM 575 CG ASP A 40 17.799 3.364 -8.901 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.557 2.428 -8.706 1.00 4.39 O ATOM 577 OD2 ASP A 40 17.528 3.804 -10.006 1.00 4.79 O ATOM 0 H ASP A 40 14.918 3.920 -8.867 1.00 1.71 H new ATOM 0 HA ASP A 40 16.349 2.141 -7.021 1.00 1.97 H new ATOM 0 HB2 ASP A 40 16.782 5.019 -7.951 1.00 3.21 H new ATOM 0 HB3 ASP A 40 17.884 4.160 -6.893 1.00 3.21 H new ATOM 582 N LEU A 41 15.484 2.964 -4.818 1.00 1.25 N ATOM 583 CA LEU A 41 14.973 3.478 -3.519 1.00 1.86 C ATOM 584 C LEU A 41 16.104 3.556 -2.482 1.00 1.67 C ATOM 585 O LEU A 41 15.865 3.379 -1.304 1.00 1.20 O ATOM 586 CB LEU A 41 13.877 2.545 -2.992 1.00 2.45 C ATOM 587 CG LEU A 41 12.652 2.597 -3.910 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.197 4.046 -4.083 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.008 2.008 -5.276 1.00 3.54 C ATOM 0 H LEU A 41 15.843 2.009 -4.799 1.00 1.25 H new ATOM 0 HA LEU A 41 14.570 4.478 -3.680 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.255 1.524 -2.935 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.595 2.838 -1.981 1.00 2.45 H new ATOM 0 HG LEU A 41 11.845 2.016 -3.463 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.325 4.078 -4.737 1.00 2.65 H new ATOM 0 HD12 LEU A 41 11.937 4.464 -3.111 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.004 4.630 -4.525 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.135 2.046 -5.927 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.818 2.585 -5.721 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.325 0.972 -5.154 1.00 3.54 H new ATOM 601 N PRO A 42 17.320 3.832 -2.891 1.00 2.30 N ATOM 602 CA PRO A 42 18.468 3.950 -1.947 1.00 2.32 C ATOM 603 C PRO A 42 18.507 5.324 -1.272 1.00 1.85 C ATOM 604 O PRO A 42 17.816 5.577 -0.304 1.00 2.18 O ATOM 605 CB PRO A 42 19.683 3.783 -2.855 1.00 3.11 C ATOM 606 CG PRO A 42 19.249 4.362 -4.159 1.00 3.74 C ATOM 607 CD PRO A 42 17.755 4.059 -4.284 1.00 3.24 C ATOM 0 HA PRO A 42 18.415 3.222 -1.138 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.552 4.306 -2.457 1.00 3.11 H new ATOM 0 HB3 PRO A 42 19.962 2.734 -2.958 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.432 5.436 -4.188 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.806 3.921 -4.986 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.216 4.889 -4.740 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.576 3.182 -4.906 1.00 3.24 H new ATOM 615 N GLY A 43 19.303 6.219 -1.792 1.00 1.69 N ATOM 616 CA GLY A 43 19.388 7.588 -1.210 1.00 1.65 C ATOM 617 C GLY A 43 19.709 7.514 0.284 1.00 1.62 C ATOM 618 O GLY A 43 20.854 7.417 0.680 1.00 2.03 O ATOM 0 H GLY A 43 19.902 6.058 -2.601 1.00 1.69 H new ATOM 0 HA2 GLY A 43 20.158 8.162 -1.726 1.00 1.65 H new ATOM 0 HA3 GLY A 43 18.445 8.113 -1.360 1.00 1.65 H new ATOM 622 N GLY A 44 18.706 7.578 1.117 1.00 1.61 N ATOM 623 CA GLY A 44 18.945 7.532 2.584 1.00 2.13 C ATOM 624 C GLY A 44 17.956 8.480 3.265 1.00 2.06 C ATOM 625 O GLY A 44 18.325 9.303 4.080 1.00 2.41 O ATOM 0 H GLY A 44 17.727 7.661 0.841 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.815 6.516 2.958 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.970 7.826 2.811 1.00 2.13 H new ATOM 629 N GLN A 45 16.701 8.377 2.921 1.00 1.86 N ATOM 630 CA GLN A 45 15.677 9.272 3.524 1.00 1.96 C ATOM 631 C GLN A 45 14.938 8.536 4.644 1.00 1.90 C ATOM 632 O GLN A 45 14.258 7.557 4.412 1.00 1.92 O ATOM 633 CB GLN A 45 14.678 9.676 2.441 1.00 2.10 C ATOM 634 CG GLN A 45 15.246 10.841 1.628 1.00 2.29 C ATOM 635 CD GLN A 45 15.129 10.528 0.136 1.00 2.34 C ATOM 636 OE1 GLN A 45 15.958 9.832 -0.418 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.128 11.015 -0.544 1.00 2.07 N ATOM 0 H GLN A 45 16.340 7.706 2.243 1.00 1.86 H new ATOM 0 HA GLN A 45 16.162 10.156 3.937 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.473 8.829 1.787 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.730 9.964 2.896 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.706 11.758 1.861 1.00 2.29 H new ATOM 0 HG3 GLN A 45 16.290 11.009 1.894 1.00 2.29 H new ATOM 0 HE21 GLN A 45 13.432 11.599 -0.080 1.00 2.07 H new ATOM 0 HE22 GLN A 45 14.041 10.812 -1.540 1.00 2.07 H new ATOM 646 N GLY A 46 15.062 9.002 5.857 1.00 2.04 N ATOM 647 CA GLY A 46 14.363 8.331 6.988 1.00 2.08 C ATOM 648 C GLY A 46 12.876 8.691 6.956 1.00 2.01 C ATOM 649 O GLY A 46 12.316 9.141 7.937 1.00 2.08 O ATOM 0 H GLY A 46 15.617 9.818 6.113 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.488 7.251 6.917 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.803 8.641 7.936 1.00 2.08 H new ATOM 653 N ASN A 47 12.231 8.496 5.839 1.00 2.09 N ATOM 654 CA ASN A 47 10.781 8.827 5.749 1.00 2.14 C ATOM 655 C ASN A 47 10.164 8.097 4.551 1.00 1.80 C ATOM 656 O ASN A 47 10.726 8.084 3.474 1.00 1.63 O ATOM 657 CB ASN A 47 10.615 10.336 5.565 1.00 2.60 C ATOM 658 CG ASN A 47 11.700 10.857 4.621 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.628 11.516 5.047 1.00 2.65 O ATOM 660 ND2 ASN A 47 11.621 10.589 3.346 1.00 3.61 N ATOM 0 H ASN A 47 12.645 8.122 4.985 1.00 2.09 H new ATOM 0 HA ASN A 47 10.279 8.513 6.664 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.628 10.557 5.159 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.684 10.840 6.529 1.00 2.60 H new ATOM 0 HD21 ASN A 47 12.338 10.933 2.707 1.00 3.61 H new ATOM 0 HD22 ASN A 47 10.842 10.036 2.988 1.00 3.61 H new ATOM 667 N PRO A 48 9.016 7.493 4.730 1.00 1.85 N ATOM 668 CA PRO A 48 8.320 6.751 3.640 1.00 1.74 C ATOM 669 C PRO A 48 7.621 7.681 2.644 1.00 1.36 C ATOM 670 O PRO A 48 6.999 7.235 1.700 1.00 1.19 O ATOM 671 CB PRO A 48 7.290 5.903 4.385 1.00 2.19 C ATOM 672 CG PRO A 48 6.987 6.664 5.633 1.00 2.36 C ATOM 673 CD PRO A 48 8.253 7.445 5.990 1.00 2.21 C ATOM 0 HA PRO A 48 9.021 6.170 3.040 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.392 5.757 3.785 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.685 4.913 4.613 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.146 7.340 5.480 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.709 5.987 6.441 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.015 8.446 6.350 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.818 6.949 6.779 1.00 2.21 H new ATOM 681 N TRP A 49 7.710 8.969 2.841 1.00 1.49 N ATOM 682 CA TRP A 49 7.042 9.909 1.897 1.00 1.39 C ATOM 683 C TRP A 49 8.098 10.656 1.082 1.00 1.17 C ATOM 684 O TRP A 49 8.277 11.849 1.224 1.00 1.45 O ATOM 685 CB TRP A 49 6.194 10.914 2.681 1.00 1.79 C ATOM 686 CG TRP A 49 6.901 11.302 3.939 1.00 1.85 C ATOM 687 CD1 TRP A 49 7.871 12.241 4.028 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.709 10.783 5.287 1.00 2.46 C ATOM 689 NE1 TRP A 49 8.287 12.331 5.344 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.601 11.452 6.159 1.00 2.36 C ATOM 691 CE3 TRP A 49 5.857 9.807 5.832 1.00 3.27 C ATOM 692 CZ2 TRP A 49 7.645 11.162 7.525 1.00 2.90 C ATOM 693 CZ3 TRP A 49 5.897 9.512 7.204 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.789 10.188 8.048 1.00 3.62 C ATOM 0 H TRP A 49 8.214 9.409 3.611 1.00 1.49 H new ATOM 0 HA TRP A 49 6.398 9.343 1.223 1.00 1.39 H new ATOM 0 HB2 TRP A 49 6.006 11.798 2.072 1.00 1.79 H new ATOM 0 HB3 TRP A 49 5.224 10.478 2.918 1.00 1.79 H new ATOM 0 HD1 TRP A 49 8.257 12.825 3.206 1.00 1.69 H new ATOM 0 HE1 TRP A 49 9.012 12.969 5.673 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.166 9.280 5.190 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.334 11.685 8.171 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 5.237 8.760 7.611 1.00 3.87 H new ATOM 0 HH2 TRP A 49 6.815 9.956 9.103 1.00 3.62 H new ATOM 705 N ASP A 50 8.798 9.963 0.226 1.00 1.07 N ATOM 706 CA ASP A 50 9.841 10.636 -0.600 1.00 1.36 C ATOM 707 C ASP A 50 9.814 10.076 -2.025 1.00 1.21 C ATOM 708 O ASP A 50 10.104 10.771 -2.978 1.00 1.27 O ATOM 709 CB ASP A 50 11.218 10.393 0.020 1.00 1.73 C ATOM 710 CG ASP A 50 11.534 11.511 1.014 1.00 2.02 C ATOM 711 OD1 ASP A 50 10.641 11.886 1.757 1.00 2.14 O ATOM 712 OD2 ASP A 50 12.661 11.976 1.015 1.00 2.38 O ATOM 0 H ASP A 50 8.693 8.962 0.063 1.00 1.07 H new ATOM 0 HA ASP A 50 9.640 11.707 -0.632 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.236 9.427 0.525 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.979 10.359 -0.760 1.00 1.73 H new ATOM 717 N ALA A 51 9.471 8.826 -2.181 1.00 1.09 N ATOM 718 CA ALA A 51 9.432 8.231 -3.548 1.00 1.02 C ATOM 719 C ALA A 51 8.419 7.083 -3.580 1.00 0.89 C ATOM 720 O ALA A 51 8.005 6.581 -2.555 1.00 0.87 O ATOM 721 CB ALA A 51 10.818 7.697 -3.910 1.00 1.11 C ATOM 0 H ALA A 51 9.217 8.192 -1.423 1.00 1.09 H new ATOM 0 HA ALA A 51 9.136 8.995 -4.267 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.791 7.262 -4.909 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.539 8.514 -3.890 1.00 1.11 H new ATOM 0 HB3 ALA A 51 11.113 6.934 -3.190 1.00 1.11 H new ATOM 727 N GLY A 52 8.019 6.663 -4.751 1.00 0.86 N ATOM 728 CA GLY A 52 7.035 5.547 -4.842 1.00 0.86 C ATOM 729 C GLY A 52 6.101 5.773 -6.032 1.00 0.87 C ATOM 730 O GLY A 52 6.110 6.818 -6.651 1.00 0.94 O ATOM 0 H GLY A 52 8.330 7.043 -5.645 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.558 4.597 -4.954 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.456 5.485 -3.921 1.00 0.86 H new ATOM 734 N LEU A 53 5.289 4.801 -6.354 1.00 0.83 N ATOM 735 CA LEU A 53 4.350 4.963 -7.496 1.00 0.84 C ATOM 736 C LEU A 53 2.928 5.131 -6.957 1.00 0.79 C ATOM 737 O LEU A 53 2.569 4.569 -5.941 1.00 0.78 O ATOM 738 CB LEU A 53 4.429 3.745 -8.423 1.00 0.85 C ATOM 739 CG LEU A 53 4.384 2.448 -7.614 1.00 0.90 C ATOM 740 CD1 LEU A 53 2.939 1.956 -7.510 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.229 1.384 -8.320 1.00 0.96 C ATOM 0 H LEU A 53 5.237 3.903 -5.874 1.00 0.83 H new ATOM 0 HA LEU A 53 4.625 5.848 -8.070 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.601 3.767 -9.132 1.00 0.85 H new ATOM 0 HB3 LEU A 53 5.349 3.784 -9.006 1.00 0.85 H new ATOM 0 HG LEU A 53 4.778 2.631 -6.614 1.00 0.90 H new ATOM 0 HD11 LEU A 53 2.910 1.032 -6.933 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.332 2.713 -7.013 1.00 0.90 H new ATOM 0 HD13 LEU A 53 2.544 1.772 -8.509 1.00 0.90 H new ATOM 0 HD21 LEU A 53 5.200 0.457 -7.747 1.00 0.96 H new ATOM 0 HD22 LEU A 53 4.830 1.206 -9.318 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.260 1.730 -8.398 1.00 0.96 H new ATOM 753 N VAL A 54 2.120 5.915 -7.617 1.00 0.79 N ATOM 754 CA VAL A 54 0.729 6.131 -7.126 1.00 0.78 C ATOM 755 C VAL A 54 -0.268 5.941 -8.272 1.00 0.80 C ATOM 756 O VAL A 54 0.103 5.842 -9.424 1.00 0.90 O ATOM 757 CB VAL A 54 0.604 7.555 -6.580 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.736 7.716 -5.862 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.746 7.823 -5.597 1.00 0.92 C ATOM 0 H VAL A 54 2.362 6.414 -8.473 1.00 0.79 H new ATOM 0 HA VAL A 54 0.511 5.409 -6.339 1.00 0.78 H new ATOM 0 HB VAL A 54 0.657 8.265 -7.405 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.821 8.731 -5.475 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.549 7.525 -6.562 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.794 7.007 -5.037 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.659 8.837 -5.206 1.00 0.92 H new ATOM 0 HG22 VAL A 54 1.692 7.111 -4.773 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.701 7.712 -6.110 1.00 0.92 H new ATOM 769 N TYR A 55 -1.534 5.896 -7.957 1.00 0.78 N ATOM 770 CA TYR A 55 -2.563 5.719 -9.019 1.00 0.82 C ATOM 771 C TYR A 55 -3.956 5.922 -8.417 1.00 0.81 C ATOM 772 O TYR A 55 -4.218 5.543 -7.293 1.00 1.06 O ATOM 773 CB TYR A 55 -2.467 4.310 -9.605 1.00 0.83 C ATOM 774 CG TYR A 55 -3.661 4.062 -10.496 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.843 4.836 -11.648 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.591 3.069 -10.164 1.00 1.54 C ATOM 777 CE1 TYR A 55 -4.955 4.617 -12.469 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.702 2.849 -10.987 1.00 1.71 C ATOM 779 CZ TYR A 55 -5.884 3.624 -12.139 1.00 1.37 C ATOM 780 OH TYR A 55 -6.981 3.411 -12.949 1.00 1.61 O ATOM 0 H TYR A 55 -1.900 5.974 -7.008 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.392 6.451 -9.809 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.544 4.202 -10.175 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.436 3.571 -8.804 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.126 5.602 -11.903 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.451 2.473 -9.274 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.096 5.215 -13.357 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.419 2.082 -10.733 1.00 1.71 H new ATOM 0 HH TYR A 55 -6.956 4.035 -13.704 1.00 1.61 H new ATOM 790 N ASN A 56 -4.851 6.517 -9.158 1.00 0.93 N ATOM 791 CA ASN A 56 -6.224 6.745 -8.634 1.00 1.01 C ATOM 792 C ASN A 56 -7.219 5.896 -9.429 1.00 1.28 C ATOM 793 O ASN A 56 -6.840 5.012 -10.172 1.00 2.04 O ATOM 794 CB ASN A 56 -6.581 8.223 -8.783 1.00 1.81 C ATOM 795 CG ASN A 56 -6.166 8.979 -7.519 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.650 10.063 -7.260 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.285 8.449 -6.716 1.00 2.47 N ATOM 0 H ASN A 56 -4.688 6.855 -10.106 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.267 6.463 -7.582 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.077 8.644 -9.653 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.652 8.334 -8.951 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.002 8.945 -5.870 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.879 7.539 -6.934 1.00 2.47 H new ATOM 804 N GLY A 57 -8.489 6.156 -9.280 1.00 1.18 N ATOM 805 CA GLY A 57 -9.504 5.365 -10.029 1.00 1.77 C ATOM 806 C GLY A 57 -9.823 4.080 -9.262 1.00 1.64 C ATOM 807 O GLY A 57 -9.710 2.989 -9.786 1.00 2.48 O ATOM 0 H GLY A 57 -8.867 6.882 -8.672 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.411 5.954 -10.164 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.129 5.123 -11.024 1.00 1.77 H new ATOM 811 N VAL A 58 -10.223 4.199 -8.025 1.00 1.34 N ATOM 812 CA VAL A 58 -10.551 2.984 -7.228 1.00 1.99 C ATOM 813 C VAL A 58 -11.648 3.321 -6.214 1.00 1.78 C ATOM 814 O VAL A 58 -11.384 3.898 -5.178 1.00 1.95 O ATOM 815 CB VAL A 58 -9.301 2.510 -6.483 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.533 3.719 -5.947 1.00 3.79 C ATOM 817 CG2 VAL A 58 -9.713 1.612 -5.314 1.00 2.88 C ATOM 0 H VAL A 58 -10.337 5.085 -7.533 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.899 2.195 -7.895 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.664 1.950 -7.168 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.643 3.379 -5.417 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.238 4.360 -6.778 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.170 4.281 -5.264 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -8.823 1.274 -4.783 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -10.351 2.173 -4.632 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -10.259 0.748 -5.694 1.00 2.88 H new ATOM 827 N PRO A 59 -12.874 2.968 -6.507 1.00 1.85 N ATOM 828 CA PRO A 59 -14.023 3.243 -5.602 1.00 1.84 C ATOM 829 C PRO A 59 -14.095 2.242 -4.445 1.00 1.90 C ATOM 830 O PRO A 59 -14.093 1.044 -4.647 1.00 2.05 O ATOM 831 CB PRO A 59 -15.242 3.100 -6.513 1.00 2.07 C ATOM 832 CG PRO A 59 -14.824 2.163 -7.598 1.00 2.39 C ATOM 833 CD PRO A 59 -13.302 2.269 -7.731 1.00 2.40 C ATOM 0 HA PRO A 59 -13.947 4.223 -5.130 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -16.098 2.707 -5.964 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.541 4.065 -6.922 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.118 1.141 -7.358 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.311 2.422 -8.538 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.841 1.285 -7.808 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -13.019 2.825 -8.625 1.00 2.40 H new ATOM 841 N VAL A 60 -14.154 2.724 -3.233 1.00 2.10 N ATOM 842 CA VAL A 60 -14.219 1.798 -2.069 1.00 2.46 C ATOM 843 C VAL A 60 -15.650 1.741 -1.531 1.00 2.53 C ATOM 844 O VAL A 60 -15.957 2.297 -0.496 1.00 2.50 O ATOM 845 CB VAL A 60 -13.278 2.296 -0.969 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.614 1.101 -0.284 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.202 3.190 -1.587 1.00 2.93 C ATOM 0 H VAL A 60 -14.160 3.717 -3.000 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.915 0.800 -2.385 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.848 2.865 -0.234 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -11.944 1.456 0.499 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.380 0.462 0.156 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.044 0.531 -1.018 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.531 3.546 -0.805 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.633 2.620 -2.322 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.674 4.043 -2.075 1.00 2.93 H new ATOM 857 N GLY A 61 -16.527 1.066 -2.221 1.00 2.83 N ATOM 858 CA GLY A 61 -17.935 0.968 -1.742 1.00 3.05 C ATOM 859 C GLY A 61 -18.039 -0.180 -0.737 1.00 2.72 C ATOM 860 O GLY A 61 -18.278 -1.315 -1.099 1.00 2.61 O ATOM 0 H GLY A 61 -16.330 0.578 -3.095 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.241 1.905 -1.276 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.608 0.795 -2.582 1.00 3.05 H new ATOM 864 N GLU A 62 -17.850 0.104 0.523 1.00 3.03 N ATOM 865 CA GLU A 62 -17.926 -0.972 1.551 1.00 2.96 C ATOM 866 C GLU A 62 -18.985 -2.001 1.150 1.00 2.29 C ATOM 867 O GLU A 62 -19.887 -1.716 0.389 1.00 2.02 O ATOM 868 CB GLU A 62 -18.293 -0.366 2.905 1.00 4.03 C ATOM 869 CG GLU A 62 -19.327 0.742 2.714 1.00 4.32 C ATOM 870 CD GLU A 62 -20.502 0.211 1.889 1.00 5.32 C ATOM 871 OE1 GLU A 62 -21.010 -0.844 2.231 1.00 5.54 O ATOM 872 OE2 GLU A 62 -20.873 0.869 0.932 1.00 6.05 O ATOM 0 H GLU A 62 -17.646 1.036 0.885 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.956 -1.463 1.624 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -18.692 -1.138 3.563 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -17.402 0.035 3.388 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.680 1.095 3.683 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.872 1.595 2.211 1.00 4.32 H new ATOM 879 N GLY A 63 -18.880 -3.198 1.660 1.00 2.54 N ATOM 880 CA GLY A 63 -19.879 -4.249 1.313 1.00 2.46 C ATOM 881 C GLY A 63 -19.156 -5.552 0.970 1.00 2.21 C ATOM 882 O GLY A 63 -19.256 -6.533 1.681 1.00 2.29 O ATOM 0 H GLY A 63 -18.145 -3.494 2.302 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -20.559 -4.408 2.150 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.485 -3.924 0.467 1.00 2.46 H new ATOM 886 N GLU A 64 -18.430 -5.573 -0.114 1.00 2.23 N ATOM 887 CA GLU A 64 -17.704 -6.813 -0.501 1.00 2.27 C ATOM 888 C GLU A 64 -16.235 -6.698 -0.090 1.00 2.19 C ATOM 889 O GLU A 64 -15.773 -5.647 0.310 1.00 2.81 O ATOM 890 CB GLU A 64 -17.796 -6.999 -2.017 1.00 2.70 C ATOM 891 CG GLU A 64 -19.037 -7.826 -2.358 1.00 3.18 C ATOM 892 CD GLU A 64 -20.295 -7.026 -2.010 1.00 3.59 C ATOM 893 OE1 GLU A 64 -20.343 -5.857 -2.354 1.00 4.03 O ATOM 894 OE2 GLU A 64 -21.187 -7.597 -1.405 1.00 3.92 O ATOM 0 H GLU A 64 -18.309 -4.783 -0.748 1.00 2.23 H new ATOM 0 HA GLU A 64 -18.153 -7.670 0.002 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.847 -6.028 -2.510 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.901 -7.498 -2.387 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.037 -8.081 -3.418 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.025 -8.765 -1.804 1.00 3.18 H new ATOM 901 N SER A 65 -15.496 -7.769 -0.186 1.00 1.71 N ATOM 902 CA SER A 65 -14.058 -7.721 0.198 1.00 1.83 C ATOM 903 C SER A 65 -13.202 -7.590 -1.062 1.00 1.49 C ATOM 904 O SER A 65 -13.471 -8.209 -2.072 1.00 1.87 O ATOM 905 CB SER A 65 -13.683 -9.006 0.939 1.00 2.37 C ATOM 906 OG SER A 65 -14.410 -9.075 2.158 1.00 2.91 O ATOM 0 H SER A 65 -15.827 -8.676 -0.514 1.00 1.71 H new ATOM 0 HA SER A 65 -13.883 -6.864 0.849 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.906 -9.875 0.320 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.612 -9.024 1.140 1.00 2.37 H new ATOM 0 HG SER A 65 -14.173 -9.898 2.634 1.00 2.91 H new ATOM 912 N TYR A 66 -12.175 -6.785 -1.017 1.00 1.14 N ATOM 913 CA TYR A 66 -11.312 -6.613 -2.216 1.00 1.22 C ATOM 914 C TYR A 66 -9.984 -7.340 -2.008 1.00 1.63 C ATOM 915 O TYR A 66 -9.733 -7.911 -0.963 1.00 2.01 O ATOM 916 CB TYR A 66 -11.051 -5.123 -2.429 1.00 1.29 C ATOM 917 CG TYR A 66 -12.268 -4.487 -3.053 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.564 -4.716 -4.402 1.00 1.79 C ATOM 919 CD2 TYR A 66 -13.104 -3.670 -2.282 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.696 -4.129 -4.979 1.00 1.98 C ATOM 921 CE2 TYR A 66 -14.235 -3.082 -2.859 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.531 -3.312 -4.209 1.00 1.87 C ATOM 923 OH TYR A 66 -15.648 -2.733 -4.777 1.00 2.38 O ATOM 0 H TYR A 66 -11.898 -6.240 -0.201 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.812 -7.031 -3.090 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.823 -4.643 -1.478 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -10.183 -4.983 -3.073 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -11.919 -5.345 -4.997 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -12.876 -3.494 -1.241 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -13.925 -4.307 -6.019 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -14.879 -2.451 -2.264 1.00 1.86 H new ATOM 0 HH TYR A 66 -16.117 -2.198 -4.103 1.00 2.38 H new ATOM 933 N VAL A 67 -9.132 -7.322 -2.997 1.00 1.69 N ATOM 934 CA VAL A 67 -7.818 -8.013 -2.869 1.00 2.07 C ATOM 935 C VAL A 67 -6.774 -7.298 -3.733 1.00 2.20 C ATOM 936 O VAL A 67 -7.041 -6.917 -4.856 1.00 2.22 O ATOM 937 CB VAL A 67 -7.959 -9.459 -3.348 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.819 -10.311 -2.782 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.302 -10.024 -2.878 1.00 2.54 C ATOM 0 H VAL A 67 -9.290 -6.857 -3.891 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.501 -7.997 -1.826 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.914 -9.481 -4.437 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.927 -11.339 -3.128 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.863 -9.912 -3.122 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.854 -10.289 -1.693 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.403 -11.054 -3.219 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.347 -9.996 -1.789 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.113 -9.424 -3.290 1.00 2.54 H new ATOM 949 N LEU A 68 -5.584 -7.121 -3.223 1.00 2.36 N ATOM 950 CA LEU A 68 -4.525 -6.441 -4.022 1.00 2.59 C ATOM 951 C LEU A 68 -3.343 -7.397 -4.204 1.00 2.17 C ATOM 952 O LEU A 68 -2.685 -7.770 -3.251 1.00 2.07 O ATOM 953 CB LEU A 68 -4.054 -5.183 -3.286 1.00 3.01 C ATOM 954 CG LEU A 68 -3.604 -4.125 -4.297 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.826 -3.371 -4.822 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.656 -3.139 -3.612 1.00 3.61 C ATOM 0 H LEU A 68 -5.301 -7.418 -2.289 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.926 -6.160 -4.996 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.861 -4.789 -2.669 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.231 -5.430 -2.615 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.090 -4.610 -5.127 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.507 -2.617 -5.542 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.505 -4.072 -5.307 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.338 -2.885 -3.991 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.334 -2.385 -4.330 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -3.172 -2.654 -2.783 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.785 -3.675 -3.234 1.00 3.61 H new ATOM 968 N SER A 69 -3.069 -7.797 -5.416 1.00 1.98 N ATOM 969 CA SER A 69 -1.928 -8.729 -5.653 1.00 1.66 C ATOM 970 C SER A 69 -0.838 -8.004 -6.444 1.00 1.53 C ATOM 971 O SER A 69 -0.929 -7.853 -7.646 1.00 1.60 O ATOM 972 CB SER A 69 -2.416 -9.945 -6.440 1.00 1.82 C ATOM 973 OG SER A 69 -1.537 -10.181 -7.532 1.00 2.27 O ATOM 0 H SER A 69 -3.584 -7.520 -6.251 1.00 1.98 H new ATOM 0 HA SER A 69 -1.522 -9.061 -4.697 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.453 -10.821 -5.792 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.429 -9.774 -6.804 1.00 1.82 H new ATOM 0 HG SER A 69 -1.593 -9.434 -8.164 1.00 2.27 H new ATOM 979 N PHE A 70 0.191 -7.547 -5.780 1.00 1.38 N ATOM 980 CA PHE A 70 1.274 -6.827 -6.506 1.00 1.30 C ATOM 981 C PHE A 70 2.397 -7.789 -6.887 1.00 1.23 C ATOM 982 O PHE A 70 2.843 -8.590 -6.088 1.00 1.40 O ATOM 983 CB PHE A 70 1.834 -5.689 -5.647 1.00 1.34 C ATOM 984 CG PHE A 70 1.814 -6.070 -4.188 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.596 -6.269 -3.529 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.020 -6.213 -3.491 1.00 1.23 C ATOM 987 CE1 PHE A 70 0.584 -6.613 -2.172 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.008 -6.554 -2.135 1.00 1.35 C ATOM 989 CZ PHE A 70 1.790 -6.755 -1.476 1.00 1.48 C ATOM 0 H PHE A 70 0.327 -7.641 -4.773 1.00 1.38 H new ATOM 0 HA PHE A 70 0.848 -6.405 -7.416 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.854 -5.461 -5.955 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.245 -4.785 -5.801 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.334 -6.157 -4.067 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.960 -6.060 -4.001 1.00 1.23 H new ATOM 0 HE1 PHE A 70 -0.355 -6.769 -1.662 1.00 2.01 H new ATOM 0 HE2 PHE A 70 3.938 -6.662 -1.597 1.00 1.35 H new ATOM 0 HZ PHE A 70 1.781 -7.020 -0.429 1.00 1.48 H new ATOM 999 N THR A 71 2.871 -7.700 -8.100 1.00 1.13 N ATOM 1000 CA THR A 71 3.982 -8.581 -8.545 1.00 1.16 C ATOM 1001 C THR A 71 5.301 -7.845 -8.322 1.00 1.11 C ATOM 1002 O THR A 71 5.732 -7.074 -9.156 1.00 1.39 O ATOM 1003 CB THR A 71 3.826 -8.868 -10.038 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.509 -7.659 -10.710 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.712 -9.890 -10.264 1.00 1.80 C ATOM 0 H THR A 71 2.531 -7.048 -8.806 1.00 1.13 H new ATOM 0 HA THR A 71 3.967 -9.516 -7.985 1.00 1.16 H new ATOM 0 HB THR A 71 4.759 -9.275 -10.428 1.00 1.26 H new ATOM 0 HG1 THR A 71 4.204 -7.461 -11.372 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.610 -10.087 -11.331 1.00 1.80 H new ATOM 0 HG22 THR A 71 2.958 -10.817 -9.746 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.773 -9.496 -9.876 1.00 1.80 H new ATOM 1013 N ALA A 72 5.947 -8.057 -7.210 1.00 0.96 N ATOM 1014 CA ALA A 72 7.227 -7.335 -6.981 1.00 0.87 C ATOM 1015 C ALA A 72 8.002 -7.967 -5.827 1.00 0.81 C ATOM 1016 O ALA A 72 7.471 -8.724 -5.039 1.00 0.85 O ATOM 1017 CB ALA A 72 6.926 -5.872 -6.645 1.00 0.81 C ATOM 0 H ALA A 72 5.651 -8.686 -6.464 1.00 0.96 H new ATOM 0 HA ALA A 72 7.832 -7.397 -7.885 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.861 -5.338 -6.476 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.389 -5.411 -7.474 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.313 -5.824 -5.745 1.00 0.81 H new ATOM 1023 N SER A 73 9.261 -7.646 -5.725 1.00 0.75 N ATOM 1024 CA SER A 73 10.095 -8.206 -4.627 1.00 0.72 C ATOM 1025 C SER A 73 11.018 -7.107 -4.098 1.00 0.64 C ATOM 1026 O SER A 73 11.459 -6.246 -4.835 1.00 0.84 O ATOM 1027 CB SER A 73 10.935 -9.366 -5.161 1.00 0.82 C ATOM 1028 OG SER A 73 11.888 -8.867 -6.090 1.00 0.93 O ATOM 0 H SER A 73 9.751 -7.015 -6.360 1.00 0.75 H new ATOM 0 HA SER A 73 9.453 -8.570 -3.824 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.442 -9.872 -4.339 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.293 -10.104 -5.642 1.00 0.82 H new ATOM 0 HG SER A 73 12.430 -9.608 -6.433 1.00 0.93 H new ATOM 1034 N ALA A 74 11.310 -7.126 -2.828 1.00 0.66 N ATOM 1035 CA ALA A 74 12.202 -6.079 -2.258 1.00 0.59 C ATOM 1036 C ALA A 74 13.661 -6.490 -2.462 1.00 0.61 C ATOM 1037 O ALA A 74 14.038 -7.618 -2.210 1.00 0.67 O ATOM 1038 CB ALA A 74 11.918 -5.927 -0.763 1.00 0.59 C ATOM 0 H ALA A 74 10.971 -7.819 -2.161 1.00 0.66 H new ATOM 0 HA ALA A 74 12.018 -5.129 -2.760 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.571 -5.161 -0.345 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.878 -5.636 -0.618 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.103 -6.876 -0.259 1.00 0.59 H new ATOM 1044 N THR A 75 14.483 -5.585 -2.916 1.00 0.62 N ATOM 1045 CA THR A 75 15.915 -5.916 -3.137 1.00 0.72 C ATOM 1046 C THR A 75 16.786 -4.823 -2.502 1.00 0.72 C ATOM 1047 O THR A 75 16.735 -3.685 -2.923 1.00 0.74 O ATOM 1048 CB THR A 75 16.182 -5.963 -4.641 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.292 -5.076 -5.303 1.00 0.86 O ATOM 1050 CG2 THR A 75 15.966 -7.385 -5.159 1.00 0.97 C ATOM 0 H THR A 75 14.221 -4.626 -3.144 1.00 0.62 H new ATOM 0 HA THR A 75 16.151 -6.880 -2.687 1.00 0.72 H new ATOM 0 HB THR A 75 17.211 -5.663 -4.837 1.00 0.85 H new ATOM 0 HG1 THR A 75 15.462 -5.102 -6.268 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.157 -7.414 -6.232 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.649 -8.065 -4.650 1.00 0.97 H new ATOM 0 HG23 THR A 75 14.938 -7.691 -4.965 1.00 0.97 H new ATOM 1058 N PRO A 76 17.572 -5.142 -1.499 1.00 0.77 N ATOM 1059 CA PRO A 76 17.691 -6.518 -0.926 1.00 0.83 C ATOM 1060 C PRO A 76 16.406 -6.970 -0.230 1.00 0.73 C ATOM 1061 O PRO A 76 15.313 -6.681 -0.672 1.00 0.68 O ATOM 1062 CB PRO A 76 18.830 -6.401 0.099 1.00 0.97 C ATOM 1063 CG PRO A 76 19.512 -5.105 -0.195 1.00 1.02 C ATOM 1064 CD PRO A 76 18.442 -4.197 -0.789 1.00 0.85 C ATOM 0 HA PRO A 76 17.879 -7.257 -1.705 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.442 -6.416 1.118 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.524 -7.237 0.009 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.934 -4.671 0.711 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.336 -5.247 -0.894 1.00 1.02 H new ATOM 0 HD2 PRO A 76 17.901 -3.651 -0.017 1.00 0.85 H new ATOM 0 HD3 PRO A 76 18.870 -3.455 -1.464 1.00 0.85 H new ATOM 1072 N ASP A 77 16.527 -7.671 0.861 1.00 0.81 N ATOM 1073 CA ASP A 77 15.311 -8.136 1.584 1.00 0.76 C ATOM 1074 C ASP A 77 14.886 -7.080 2.606 1.00 0.72 C ATOM 1075 O ASP A 77 15.704 -6.362 3.144 1.00 0.78 O ATOM 1076 CB ASP A 77 15.616 -9.447 2.311 1.00 0.91 C ATOM 1077 CG ASP A 77 16.689 -10.220 1.542 1.00 1.09 C ATOM 1078 OD1 ASP A 77 16.849 -9.959 0.361 1.00 1.30 O ATOM 1079 OD2 ASP A 77 17.334 -11.061 2.147 1.00 1.75 O ATOM 0 H ASP A 77 17.415 -7.942 1.284 1.00 0.81 H new ATOM 0 HA ASP A 77 14.506 -8.295 0.867 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.958 -9.242 3.325 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.710 -10.048 2.395 1.00 0.91 H new ATOM 1084 N MET A 78 13.611 -6.984 2.876 1.00 0.75 N ATOM 1085 CA MET A 78 13.124 -5.977 3.862 1.00 0.87 C ATOM 1086 C MET A 78 11.633 -5.719 3.630 1.00 0.89 C ATOM 1087 O MET A 78 11.094 -6.046 2.591 1.00 0.93 O ATOM 1088 CB MET A 78 13.894 -4.665 3.687 1.00 1.01 C ATOM 1089 CG MET A 78 14.933 -4.521 4.802 1.00 1.19 C ATOM 1090 SD MET A 78 16.346 -3.570 4.187 1.00 1.83 S ATOM 1091 CE MET A 78 17.628 -4.784 4.584 1.00 2.16 C ATOM 0 H MET A 78 12.884 -7.562 2.454 1.00 0.75 H new ATOM 0 HA MET A 78 13.281 -6.358 4.871 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.386 -4.648 2.715 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.204 -3.822 3.709 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.491 -4.021 5.664 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.261 -5.505 5.138 1.00 1.19 H new ATOM 0 HE1 MET A 78 18.509 -4.270 4.969 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.253 -5.476 5.338 1.00 2.16 H new ATOM 0 HE3 MET A 78 17.895 -5.338 3.684 1.00 2.16 H new ATOM 1101 N PRO A 79 10.974 -5.130 4.592 1.00 0.96 N ATOM 1102 CA PRO A 79 9.522 -4.811 4.500 1.00 1.04 C ATOM 1103 C PRO A 79 9.259 -3.535 3.694 1.00 1.13 C ATOM 1104 O PRO A 79 10.072 -2.635 3.656 1.00 1.28 O ATOM 1105 CB PRO A 79 9.113 -4.615 5.958 1.00 1.12 C ATOM 1106 CG PRO A 79 10.345 -4.131 6.649 1.00 1.38 C ATOM 1107 CD PRO A 79 11.542 -4.704 5.882 1.00 1.11 C ATOM 0 HA PRO A 79 8.962 -5.593 3.987 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.302 -3.892 6.046 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.757 -5.547 6.396 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.379 -3.042 6.659 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.359 -4.460 7.688 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.323 -3.956 5.746 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.993 -5.541 6.415 1.00 1.11 H new ATOM 1115 N VAL A 80 8.125 -3.451 3.054 1.00 1.13 N ATOM 1116 CA VAL A 80 7.809 -2.233 2.256 1.00 1.31 C ATOM 1117 C VAL A 80 6.592 -1.531 2.861 1.00 1.45 C ATOM 1118 O VAL A 80 5.914 -2.068 3.716 1.00 1.98 O ATOM 1119 CB VAL A 80 7.504 -2.629 0.811 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.799 -2.635 -0.003 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.881 -4.028 0.787 1.00 1.79 C ATOM 0 H VAL A 80 7.404 -4.173 3.049 1.00 1.13 H new ATOM 0 HA VAL A 80 8.665 -1.558 2.271 1.00 1.31 H new ATOM 0 HB VAL A 80 6.807 -1.911 0.378 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.580 -2.917 -1.033 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.244 -1.640 0.014 1.00 2.01 H new ATOM 0 HG13 VAL A 80 9.497 -3.352 0.429 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.663 -4.312 -0.243 1.00 1.79 H new ATOM 0 HG22 VAL A 80 7.579 -4.744 1.221 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.957 -4.025 1.366 1.00 1.79 H new ATOM 1131 N ARG A 81 6.308 -0.334 2.426 1.00 1.48 N ATOM 1132 CA ARG A 81 5.135 0.401 2.979 1.00 1.84 C ATOM 1133 C ARG A 81 4.086 0.590 1.881 1.00 2.04 C ATOM 1134 O ARG A 81 4.404 0.910 0.753 1.00 2.57 O ATOM 1135 CB ARG A 81 5.587 1.769 3.494 1.00 2.24 C ATOM 1136 CG ARG A 81 4.374 2.550 4.002 1.00 2.95 C ATOM 1137 CD ARG A 81 4.732 3.257 5.311 1.00 4.04 C ATOM 1138 NE ARG A 81 3.531 3.964 5.838 1.00 4.81 N ATOM 1139 CZ ARG A 81 3.511 4.382 7.074 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.542 4.181 7.849 1.00 4.94 N ATOM 1141 NH2 ARG A 81 2.460 5.001 7.537 1.00 6.01 N ATOM 0 H ARG A 81 6.837 0.167 1.712 1.00 1.48 H new ATOM 0 HA ARG A 81 4.702 -0.171 3.799 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.315 1.645 4.296 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.082 2.324 2.697 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.060 3.280 3.256 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.533 1.874 4.160 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.091 2.532 6.042 1.00 4.04 H new ATOM 0 HD3 ARG A 81 5.541 3.968 5.143 1.00 4.04 H new ATOM 0 HE ARG A 81 2.725 4.121 5.233 1.00 4.81 H new ATOM 0 HH11 ARG A 81 5.364 3.697 7.489 1.00 4.94 H new ATOM 0 HH12 ARG A 81 4.525 4.508 8.815 1.00 4.94 H new ATOM 0 HH21 ARG A 81 1.653 5.158 6.933 1.00 6.01 H new ATOM 0 HH22 ARG A 81 2.445 5.328 8.503 1.00 6.01 H new ATOM 1155 N VAL A 82 2.837 0.397 2.205 1.00 2.00 N ATOM 1156 CA VAL A 82 1.766 0.567 1.185 1.00 2.41 C ATOM 1157 C VAL A 82 0.562 1.262 1.824 1.00 1.99 C ATOM 1158 O VAL A 82 0.302 1.116 3.001 1.00 1.85 O ATOM 1159 CB VAL A 82 1.345 -0.805 0.655 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.347 -1.820 1.799 1.00 3.76 C ATOM 1161 CG2 VAL A 82 -0.063 -0.712 0.061 1.00 3.57 C ATOM 0 H VAL A 82 2.512 0.128 3.134 1.00 2.00 H new ATOM 0 HA VAL A 82 2.140 1.174 0.360 1.00 2.41 H new ATOM 0 HB VAL A 82 2.046 -1.125 -0.115 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.047 -2.797 1.419 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.349 -1.888 2.223 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.647 -1.500 2.571 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.364 -1.689 -0.317 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.763 -0.390 0.832 1.00 3.57 H new ATOM 0 HG23 VAL A 82 -0.066 0.010 -0.756 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.173 2.021 1.058 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.357 2.726 1.626 1.00 1.82 C ATOM 1173 C LEU A 83 -2.447 2.847 0.560 1.00 1.64 C ATOM 1174 O LEU A 83 -2.167 2.980 -0.616 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.944 4.122 2.094 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.294 4.879 0.934 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.543 6.380 1.099 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.213 4.611 0.933 1.00 1.42 C ATOM 0 H LEU A 83 -0.005 2.183 0.065 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.743 2.157 2.472 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.815 4.668 2.456 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.247 4.046 2.928 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.726 4.541 -0.008 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.080 6.919 0.272 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.616 6.573 1.102 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.111 6.719 2.041 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.678 5.150 0.107 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.643 4.950 1.875 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.392 3.542 0.816 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.689 2.804 0.960 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.796 2.918 -0.034 1.00 1.53 C ATOM 1192 C VAL A 84 -6.028 3.530 0.637 1.00 1.46 C ATOM 1193 O VAL A 84 -6.257 3.352 1.817 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.153 1.530 -0.568 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.671 1.652 -2.002 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.908 0.641 -0.550 1.00 1.84 C ATOM 0 H VAL A 84 -3.985 2.695 1.930 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.473 3.555 -0.858 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.925 1.087 0.061 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.925 0.663 -2.382 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.558 2.285 -2.016 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.899 2.095 -2.631 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.162 -0.348 -0.930 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.135 1.084 -1.178 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.539 0.553 0.472 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.826 4.247 -0.108 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.044 4.865 0.486 1.00 1.49 C ATOM 1208 C GLY A 85 -8.529 6.006 -0.410 1.00 1.17 C ATOM 1209 O GLY A 85 -8.398 5.961 -1.618 1.00 1.15 O ATOM 0 H GLY A 85 -6.686 4.431 -1.102 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.828 4.116 0.595 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.823 5.242 1.485 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.092 7.030 0.172 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.587 8.174 -0.644 1.00 1.19 C ATOM 1215 C GLU A 86 -8.471 9.208 -0.806 1.00 1.21 C ATOM 1216 O GLU A 86 -7.395 9.064 -0.260 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.783 8.820 0.057 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.287 9.695 1.209 1.00 1.42 C ATOM 1219 CD GLU A 86 -9.366 8.875 2.115 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -9.695 7.730 2.380 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -8.347 9.405 2.527 1.00 2.03 O ATOM 0 H GLU A 86 -9.230 7.123 1.178 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.892 7.814 -1.626 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.352 9.422 -0.652 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.456 8.050 0.435 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.753 10.561 0.818 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.133 10.075 1.781 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.719 10.250 -1.551 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.672 11.293 -1.746 1.00 1.38 C ATOM 1230 C GLY A 87 -8.271 12.676 -1.487 1.00 1.20 C ATOM 1231 O GLY A 87 -7.773 13.678 -1.959 1.00 1.26 O ATOM 0 H GLY A 87 -9.601 10.424 -2.033 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.836 11.115 -1.069 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.277 11.241 -2.761 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.716 10.088 6.373 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.560 8.815 7.129 1.00 2.12 C ATOM 1282 C ARG A 92 -8.772 7.631 6.183 1.00 1.84 C ATOM 1283 O ARG A 92 -9.839 7.448 5.633 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.593 8.761 8.256 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.990 9.017 7.686 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.916 7.856 8.054 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.223 6.564 7.790 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.690 5.457 8.301 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.764 5.482 9.041 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.082 4.326 8.071 1.00 5.74 N ATOM 0 HA ARG A 92 -7.557 8.765 7.554 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.562 7.787 8.745 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.357 9.507 9.015 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.389 9.952 8.080 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.938 9.124 6.603 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.198 7.921 9.105 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.836 7.913 7.473 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.384 6.544 7.210 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -13.239 6.367 9.221 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -13.129 4.617 9.440 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -10.242 4.307 7.492 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.446 3.461 8.470 1.00 5.74 H new ATOM 1304 N THR A 93 -7.763 6.826 5.990 1.00 1.67 N ATOM 1305 CA THR A 93 -7.907 5.655 5.079 1.00 1.74 C ATOM 1306 C THR A 93 -8.012 4.369 5.896 1.00 1.95 C ATOM 1307 O THR A 93 -7.812 4.359 7.094 1.00 2.27 O ATOM 1308 CB THR A 93 -6.684 5.559 4.164 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.441 4.195 3.855 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.464 6.146 4.872 1.00 1.74 C ATOM 0 H THR A 93 -6.845 6.928 6.424 1.00 1.67 H new ATOM 0 HA THR A 93 -8.809 5.785 4.481 1.00 1.74 H new ATOM 0 HB THR A 93 -6.869 6.118 3.247 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.231 4.108 2.902 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.595 6.076 4.218 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.652 7.192 5.115 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.273 5.589 5.790 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.311 3.280 5.245 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.415 1.983 5.965 1.00 2.71 C ATOM 1320 C ALA A 94 -7.237 1.098 5.557 1.00 2.70 C ATOM 1321 O ALA A 94 -6.827 0.217 6.286 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.730 1.293 5.592 1.00 3.28 C ATOM 0 H ALA A 94 -8.488 3.233 4.242 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.395 2.153 7.041 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.805 0.343 6.120 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.568 1.931 5.872 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.755 1.113 4.517 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.685 1.332 4.396 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.528 0.509 3.946 1.00 2.32 C ATOM 1330 C PHE A 95 -4.230 1.181 4.392 1.00 1.89 C ATOM 1331 O PHE A 95 -3.224 1.122 3.715 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.544 0.400 2.420 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.944 -0.920 1.993 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.940 -1.523 2.761 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.392 -1.539 0.819 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.387 -2.744 2.357 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -4.837 -2.760 0.414 1.00 3.55 C ATOM 1338 CZ PHE A 95 -3.834 -3.361 1.183 1.00 3.60 C ATOM 0 H PHE A 95 -6.985 2.055 3.743 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.595 -0.488 4.382 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.567 0.481 2.052 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.981 1.224 1.982 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.592 -1.046 3.665 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.166 -1.075 0.226 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -2.615 -3.210 2.952 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.183 -3.237 -0.491 1.00 3.55 H new ATOM 0 HZ PHE A 95 -3.405 -4.301 0.870 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.244 1.825 5.525 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.009 2.504 6.005 1.00 2.11 C ATOM 1350 C GLU A 96 -2.083 1.479 6.663 1.00 1.99 C ATOM 1351 O GLU A 96 -1.739 1.593 7.822 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.382 3.584 7.023 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.165 4.468 7.301 1.00 3.05 C ATOM 1354 CD GLU A 96 -2.263 5.749 6.471 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.031 6.618 6.848 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -1.569 5.839 5.471 1.00 4.60 O ATOM 0 H GLU A 96 -5.055 1.911 6.138 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.497 2.964 5.160 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.204 4.189 6.642 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.728 3.123 7.948 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -2.115 4.713 8.362 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -1.249 3.932 7.054 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.677 0.477 5.931 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.774 -0.553 6.515 1.00 2.35 C ATOM 1365 C GLN A 97 0.654 -0.308 6.019 1.00 2.76 C ATOM 1366 O GLN A 97 0.867 0.298 4.986 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.257 -1.944 6.083 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.063 -2.831 5.720 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.546 -4.262 5.471 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.668 -4.602 5.793 1.00 2.75 O ATOM 1371 NE2 GLN A 97 0.259 -5.121 4.908 1.00 3.46 N ATOM 0 H GLN A 97 -1.932 0.328 4.955 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.786 -0.493 7.603 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.829 -2.404 6.888 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.926 -1.855 5.227 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.434 -2.444 4.830 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.671 -2.819 6.526 1.00 2.67 H new ATOM 0 HE21 GLN A 97 1.200 -4.836 4.638 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.053 -6.077 4.738 1.00 3.46 H new ATOM 1380 N GLY A 98 1.634 -0.770 6.745 1.00 2.66 N ATOM 1381 CA GLY A 98 3.045 -0.558 6.311 1.00 3.12 C ATOM 1382 C GLY A 98 3.895 -1.764 6.714 1.00 2.94 C ATOM 1383 O GLY A 98 5.105 -1.746 6.602 1.00 3.67 O ATOM 0 H GLY A 98 1.520 -1.284 7.618 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.086 -0.417 5.231 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.443 0.349 6.767 1.00 3.12 H new ATOM 1387 N SER A 99 3.275 -2.811 7.184 1.00 2.31 N ATOM 1388 CA SER A 99 4.050 -4.015 7.593 1.00 2.54 C ATOM 1389 C SER A 99 4.002 -5.059 6.477 1.00 2.05 C ATOM 1390 O SER A 99 3.542 -6.167 6.671 1.00 1.87 O ATOM 1391 CB SER A 99 3.439 -4.600 8.867 1.00 3.04 C ATOM 1392 OG SER A 99 4.062 -4.011 10.001 1.00 3.79 O ATOM 0 H SER A 99 2.265 -2.884 7.302 1.00 2.31 H new ATOM 0 HA SER A 99 5.087 -3.735 7.780 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.366 -4.412 8.889 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.573 -5.682 8.885 1.00 3.04 H new ATOM 0 HG SER A 99 3.671 -4.383 10.819 1.00 3.79 H new ATOM 1398 N ALA A 100 4.474 -4.717 5.310 1.00 1.96 N ATOM 1399 CA ALA A 100 4.454 -5.693 4.183 1.00 1.63 C ATOM 1400 C ALA A 100 5.855 -6.294 4.011 1.00 1.41 C ATOM 1401 O ALA A 100 6.762 -5.630 3.548 1.00 1.39 O ATOM 1402 CB ALA A 100 4.045 -4.971 2.897 1.00 1.76 C ATOM 0 H ALA A 100 4.872 -3.805 5.088 1.00 1.96 H new ATOM 0 HA ALA A 100 3.740 -6.489 4.396 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.029 -5.681 2.070 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.053 -4.538 3.023 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.762 -4.179 2.681 1.00 1.76 H new ATOM 1408 N PRO A 101 6.038 -7.536 4.385 1.00 1.67 N ATOM 1409 CA PRO A 101 7.357 -8.221 4.272 1.00 1.70 C ATOM 1410 C PRO A 101 7.660 -8.679 2.843 1.00 1.06 C ATOM 1411 O PRO A 101 6.824 -9.251 2.172 1.00 1.45 O ATOM 1412 CB PRO A 101 7.216 -9.427 5.200 1.00 2.69 C ATOM 1413 CG PRO A 101 5.756 -9.733 5.239 1.00 2.97 C ATOM 1414 CD PRO A 101 5.011 -8.425 4.955 1.00 2.35 C ATOM 0 HA PRO A 101 8.180 -7.557 4.536 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.785 -10.278 4.826 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.596 -9.202 6.196 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.502 -10.490 4.497 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.473 -10.134 6.212 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.188 -8.580 4.258 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.583 -8.006 5.865 1.00 2.35 H new ATOM 1422 N LEU A 102 8.854 -8.434 2.372 1.00 0.99 N ATOM 1423 CA LEU A 102 9.211 -8.858 0.988 1.00 1.10 C ATOM 1424 C LEU A 102 10.551 -9.596 1.012 1.00 0.93 C ATOM 1425 O LEU A 102 11.353 -9.418 1.907 1.00 1.33 O ATOM 1426 CB LEU A 102 9.325 -7.626 0.088 1.00 2.00 C ATOM 1427 CG LEU A 102 7.965 -7.325 -0.544 1.00 2.39 C ATOM 1428 CD1 LEU A 102 8.068 -6.061 -1.399 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.541 -8.501 -1.427 1.00 2.31 C ATOM 0 H LEU A 102 9.596 -7.959 2.886 1.00 0.99 H new ATOM 0 HA LEU A 102 8.436 -9.520 0.600 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.665 -6.769 0.669 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.069 -7.799 -0.690 1.00 2.00 H new ATOM 0 HG LEU A 102 7.226 -7.174 0.243 1.00 2.39 H new ATOM 0 HD11 LEU A 102 7.099 -5.846 -1.849 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.371 -5.222 -0.773 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.808 -6.213 -2.185 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.572 -8.287 -1.878 1.00 2.31 H new ATOM 0 HD22 LEU A 102 8.281 -8.651 -2.213 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.468 -9.404 -0.820 1.00 2.31 H new ATOM 1441 N THR A 103 10.801 -10.425 0.034 1.00 1.21 N ATOM 1442 CA THR A 103 12.088 -11.174 0.003 1.00 1.09 C ATOM 1443 C THR A 103 13.026 -10.537 -1.027 1.00 1.38 C ATOM 1444 O THR A 103 12.911 -9.370 -1.346 1.00 1.81 O ATOM 1445 CB THR A 103 11.821 -12.631 -0.384 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.044 -13.251 -0.759 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.842 -12.677 -1.558 1.00 2.34 C ATOM 0 H THR A 103 10.169 -10.615 -0.744 1.00 1.21 H new ATOM 0 HA THR A 103 12.552 -11.138 0.988 1.00 1.09 H new ATOM 0 HB THR A 103 11.390 -13.161 0.466 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.875 -14.184 -1.005 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.652 -13.715 -1.833 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.905 -12.201 -1.269 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.270 -12.148 -2.410 1.00 2.34 H new ATOM 1455 N GLY A 104 13.951 -11.295 -1.549 1.00 1.62 N ATOM 1456 CA GLY A 104 14.896 -10.733 -2.556 1.00 2.17 C ATOM 1457 C GLY A 104 14.650 -11.394 -3.912 1.00 1.60 C ATOM 1458 O GLY A 104 15.554 -11.552 -4.710 1.00 1.83 O ATOM 0 H GLY A 104 14.094 -12.279 -1.322 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.760 -9.654 -2.635 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.925 -10.902 -2.239 1.00 2.17 H new ATOM 1462 N GLU A 105 13.434 -11.784 -4.182 1.00 1.22 N ATOM 1463 CA GLU A 105 13.131 -12.436 -5.487 1.00 1.09 C ATOM 1464 C GLU A 105 11.657 -12.220 -5.832 1.00 1.06 C ATOM 1465 O GLU A 105 10.818 -12.114 -4.961 1.00 1.08 O ATOM 1466 CB GLU A 105 13.418 -13.936 -5.386 1.00 1.40 C ATOM 1467 CG GLU A 105 14.866 -14.151 -4.943 1.00 1.95 C ATOM 1468 CD GLU A 105 15.214 -15.638 -5.040 1.00 2.43 C ATOM 1469 OE1 GLU A 105 14.301 -16.445 -4.977 1.00 3.02 O ATOM 1470 OE2 GLU A 105 16.387 -15.944 -5.175 1.00 2.75 O ATOM 0 H GLU A 105 12.637 -11.679 -3.554 1.00 1.22 H new ATOM 0 HA GLU A 105 13.755 -11.999 -6.267 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.736 -14.400 -4.673 1.00 1.40 H new ATOM 0 HB3 GLU A 105 13.247 -14.415 -6.350 1.00 1.40 H new ATOM 0 HG2 GLU A 105 15.540 -13.567 -5.570 1.00 1.95 H new ATOM 0 HG3 GLU A 105 15.000 -13.801 -3.919 1.00 1.95 H new ATOM 1477 N PRO A 106 11.347 -12.159 -7.100 1.00 1.08 N ATOM 1478 CA PRO A 106 9.954 -11.955 -7.582 1.00 1.12 C ATOM 1479 C PRO A 106 8.935 -12.728 -6.742 1.00 1.24 C ATOM 1480 O PRO A 106 9.052 -13.922 -6.552 1.00 1.42 O ATOM 1481 CB PRO A 106 9.999 -12.493 -9.010 1.00 1.26 C ATOM 1482 CG PRO A 106 11.407 -12.285 -9.468 1.00 1.20 C ATOM 1483 CD PRO A 106 12.295 -12.282 -8.218 1.00 1.13 C ATOM 0 HA PRO A 106 9.640 -10.913 -7.517 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.727 -13.548 -9.041 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.295 -11.964 -9.652 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.710 -13.077 -10.153 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.501 -11.343 -10.009 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.881 -13.198 -8.144 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.002 -11.452 -8.234 1.00 1.13 H new ATOM 1491 N ALA A 107 7.938 -12.057 -6.233 1.00 1.17 N ATOM 1492 CA ALA A 107 6.919 -12.760 -5.404 1.00 1.31 C ATOM 1493 C ALA A 107 5.668 -11.887 -5.276 1.00 1.24 C ATOM 1494 O ALA A 107 5.745 -10.707 -4.994 1.00 1.04 O ATOM 1495 CB ALA A 107 7.494 -13.031 -4.012 1.00 1.37 C ATOM 0 H ALA A 107 7.785 -11.056 -6.355 1.00 1.17 H new ATOM 0 HA ALA A 107 6.654 -13.704 -5.881 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.749 -13.545 -3.405 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.383 -13.655 -4.101 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.759 -12.086 -3.538 1.00 1.37 H new ATOM 1501 N THR A 108 4.516 -12.461 -5.484 1.00 1.45 N ATOM 1502 CA THR A 108 3.257 -11.673 -5.373 1.00 1.43 C ATOM 1503 C THR A 108 2.704 -11.751 -3.952 1.00 1.38 C ATOM 1504 O THR A 108 2.719 -12.790 -3.323 1.00 1.47 O ATOM 1505 CB THR A 108 2.211 -12.231 -6.339 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.449 -13.616 -6.544 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.303 -11.492 -7.671 1.00 1.66 C ATOM 0 H THR A 108 4.392 -13.444 -5.727 1.00 1.45 H new ATOM 0 HA THR A 108 3.478 -10.634 -5.620 1.00 1.43 H new ATOM 0 HB THR A 108 1.215 -12.093 -5.918 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.778 -13.975 -7.162 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.558 -11.889 -8.360 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.119 -10.430 -7.511 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.298 -11.628 -8.095 1.00 1.66 H new ATOM 1515 N ARG A 109 2.176 -10.667 -3.457 1.00 1.33 N ATOM 1516 CA ARG A 109 1.576 -10.688 -2.096 1.00 1.32 C ATOM 1517 C ARG A 109 0.110 -10.303 -2.241 1.00 1.37 C ATOM 1518 O ARG A 109 -0.239 -9.486 -3.068 1.00 1.49 O ATOM 1519 CB ARG A 109 2.280 -9.691 -1.179 1.00 1.27 C ATOM 1520 CG ARG A 109 3.283 -10.428 -0.289 1.00 1.97 C ATOM 1521 CD ARG A 109 4.129 -11.375 -1.143 1.00 2.63 C ATOM 1522 NE ARG A 109 5.502 -11.467 -0.571 1.00 3.48 N ATOM 1523 CZ ARG A 109 6.299 -12.432 -0.939 1.00 3.74 C ATOM 1524 NH1 ARG A 109 5.892 -13.321 -1.804 1.00 3.39 N ATOM 1525 NH2 ARG A 109 7.503 -12.510 -0.442 1.00 4.70 N ATOM 0 H ARG A 109 2.134 -9.768 -3.937 1.00 1.33 H new ATOM 0 HA ARG A 109 1.682 -11.679 -1.655 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.793 -8.935 -1.773 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.548 -9.169 -0.563 1.00 1.27 H new ATOM 0 HG2 ARG A 109 3.926 -9.711 0.222 1.00 1.97 H new ATOM 0 HG3 ARG A 109 2.756 -10.990 0.482 1.00 1.97 H new ATOM 0 HD2 ARG A 109 3.669 -12.363 -1.174 1.00 2.63 H new ATOM 0 HD3 ARG A 109 4.175 -11.013 -2.170 1.00 2.63 H new ATOM 0 HE ARG A 109 5.819 -10.775 0.108 1.00 3.48 H new ATOM 0 HH11 ARG A 109 4.951 -13.261 -2.192 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.515 -14.075 -2.092 1.00 3.39 H new ATOM 0 HH21 ARG A 109 7.821 -11.816 0.235 1.00 4.70 H new ATOM 0 HH22 ARG A 109 8.126 -13.265 -0.730 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.757 -10.891 -1.468 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.201 -10.558 -1.608 1.00 1.51 C ATOM 1541 C GLU A 110 -2.810 -10.199 -0.253 1.00 1.50 C ATOM 1542 O GLU A 110 -2.957 -11.035 0.617 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.940 -11.767 -2.186 1.00 1.79 C ATOM 1544 CG GLU A 110 -1.990 -12.567 -3.079 1.00 2.12 C ATOM 1545 CD GLU A 110 -2.802 -13.467 -4.013 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -3.695 -14.140 -3.527 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -2.517 -13.465 -5.200 1.00 2.69 O ATOM 0 H GLU A 110 -0.532 -11.581 -0.752 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.299 -9.700 -2.273 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.315 -12.397 -1.379 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.805 -11.437 -2.761 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.365 -11.890 -3.662 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.320 -13.171 -2.466 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.192 -8.965 -0.081 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.824 -8.549 1.200 1.00 1.81 C ATOM 1556 C TYR A 111 -5.281 -8.179 0.916 1.00 2.14 C ATOM 1557 O TYR A 111 -5.565 -7.243 0.194 1.00 2.42 O ATOM 1558 CB TYR A 111 -3.092 -7.340 1.787 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.594 -7.560 1.770 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -1.057 -8.855 1.827 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.736 -6.455 1.705 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.331 -9.039 1.817 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.651 -6.640 1.696 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.184 -7.933 1.752 1.00 2.36 C ATOM 1565 OH TYR A 111 2.552 -8.115 1.744 1.00 2.67 O ATOM 0 H TYR A 111 -3.093 -8.224 -0.775 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.771 -9.366 1.920 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.340 -6.446 1.215 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.427 -7.167 2.810 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.715 -9.710 1.879 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -1.146 -5.457 1.662 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.743 -10.036 1.860 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.310 -5.786 1.646 1.00 2.96 H new ATOM 0 HH TYR A 111 2.976 -7.389 1.240 1.00 2.67 H new ATOM 1575 N ALA A 112 -6.207 -8.918 1.463 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.641 -8.619 1.210 1.00 2.71 C ATOM 1577 C ALA A 112 -8.341 -8.263 2.522 1.00 2.50 C ATOM 1578 O ALA A 112 -7.783 -8.394 3.593 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.312 -9.850 0.598 1.00 3.41 C ATOM 0 H ALA A 112 -6.031 -9.716 2.074 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.715 -7.775 0.524 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.364 -9.635 0.411 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.820 -10.103 -0.341 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -8.230 -10.690 1.288 1.00 3.41 H new ATOM 1585 N PHE A 113 -9.564 -7.818 2.441 1.00 2.28 N ATOM 1586 CA PHE A 113 -10.312 -7.458 3.678 1.00 2.20 C ATOM 1587 C PHE A 113 -11.764 -7.131 3.325 1.00 1.67 C ATOM 1588 O PHE A 113 -12.145 -7.110 2.171 1.00 1.59 O ATOM 1589 CB PHE A 113 -9.655 -6.246 4.347 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.983 -5.382 3.306 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -9.514 -5.289 2.014 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -7.823 -4.670 3.637 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -8.886 -4.485 1.055 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -7.195 -3.866 2.677 1.00 2.44 C ATOM 1595 CZ PHE A 113 -7.727 -3.774 1.386 1.00 2.64 C ATOM 0 H PHE A 113 -10.079 -7.688 1.570 1.00 2.28 H new ATOM 0 HA PHE A 113 -10.292 -8.301 4.368 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -10.405 -5.666 4.884 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -8.923 -6.579 5.083 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -10.408 -5.837 1.757 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -7.412 -4.741 4.633 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -9.297 -4.413 0.059 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -6.301 -3.317 2.933 1.00 2.44 H new ATOM 0 HZ PHE A 113 -7.243 -3.154 0.645 1.00 2.64 H new ATOM 1605 N THR A 114 -12.584 -6.882 4.311 1.00 1.53 N ATOM 1606 CA THR A 114 -14.011 -6.564 4.030 1.00 1.47 C ATOM 1607 C THR A 114 -14.169 -5.061 3.795 1.00 1.85 C ATOM 1608 O THR A 114 -13.989 -4.259 4.689 1.00 2.23 O ATOM 1609 CB THR A 114 -14.871 -6.984 5.225 1.00 1.92 C ATOM 1610 OG1 THR A 114 -14.103 -6.890 6.415 1.00 2.12 O ATOM 1611 CG2 THR A 114 -15.346 -8.425 5.034 1.00 2.22 C ATOM 0 H THR A 114 -12.326 -6.885 5.298 1.00 1.53 H new ATOM 0 HA THR A 114 -14.332 -7.104 3.139 1.00 1.47 H new ATOM 0 HB THR A 114 -15.737 -6.326 5.298 1.00 1.92 H new ATOM 0 HG1 THR A 114 -14.246 -6.013 6.828 1.00 2.12 H new ATOM 0 HG21 THR A 114 -15.958 -8.722 5.886 1.00 2.22 H new ATOM 0 HG22 THR A 114 -15.937 -8.495 4.121 1.00 2.22 H new ATOM 0 HG23 THR A 114 -14.482 -9.086 4.960 1.00 2.22 H new ATOM 1619 N SER A 115 -14.506 -4.674 2.595 1.00 2.24 N ATOM 1620 CA SER A 115 -14.682 -3.226 2.300 1.00 2.93 C ATOM 1621 C SER A 115 -15.653 -2.615 3.314 1.00 3.67 C ATOM 1622 O SER A 115 -16.836 -2.894 3.300 1.00 4.11 O ATOM 1623 CB SER A 115 -15.236 -3.067 0.883 1.00 3.21 C ATOM 1624 OG SER A 115 -15.117 -1.709 0.479 1.00 4.06 O ATOM 0 H SER A 115 -14.667 -5.300 1.806 1.00 2.24 H new ATOM 0 HA SER A 115 -13.723 -2.713 2.372 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.692 -3.712 0.193 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.281 -3.377 0.852 1.00 3.21 H new ATOM 0 HG SER A 115 -15.470 -1.606 -0.429 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.161 -1.786 4.194 1.00 3.92 N ATOM 1631 CA ASN A 116 -16.052 -1.157 5.212 1.00 4.70 C ATOM 1632 C ASN A 116 -15.837 0.357 5.213 1.00 4.40 C ATOM 1633 O ASN A 116 -16.016 1.018 6.217 1.00 4.82 O ATOM 1634 CB ASN A 116 -15.720 -1.721 6.596 1.00 5.27 C ATOM 1635 CG ASN A 116 -16.125 -3.194 6.659 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -15.284 -4.070 6.596 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -17.385 -3.508 6.781 1.00 6.86 N ATOM 0 H ASN A 116 -14.179 -1.516 4.252 1.00 3.92 H new ATOM 0 HA ASN A 116 -17.092 -1.375 4.970 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -14.653 -1.618 6.796 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -16.245 -1.156 7.366 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -17.665 -4.488 6.824 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -18.091 -2.774 6.834 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.455 0.912 4.096 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.231 2.384 4.033 1.00 3.59 C ATOM 1646 C LEU A 117 -15.908 2.948 2.782 1.00 3.13 C ATOM 1647 O LEU A 117 -15.577 2.589 1.670 1.00 3.28 O ATOM 1648 CB LEU A 117 -13.728 2.669 3.975 1.00 3.83 C ATOM 1649 CG LEU A 117 -13.390 3.842 4.898 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -13.784 3.495 6.335 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -11.887 4.120 4.836 1.00 4.76 C ATOM 0 H LEU A 117 -15.288 0.410 3.224 1.00 3.81 H new ATOM 0 HA LEU A 117 -15.655 2.856 4.919 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.168 1.784 4.276 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -13.431 2.901 2.952 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.939 4.727 4.576 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -13.542 4.332 6.991 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -14.855 3.296 6.381 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -13.236 2.610 6.659 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -11.644 4.955 5.493 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -11.340 3.234 5.158 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -11.605 4.369 3.813 1.00 4.76 H new ATOM 1663 N THR A 118 -16.855 3.829 2.956 1.00 3.12 N ATOM 1664 CA THR A 118 -17.556 4.414 1.780 1.00 3.08 C ATOM 1665 C THR A 118 -16.668 5.480 1.132 1.00 3.13 C ATOM 1666 O THR A 118 -16.195 6.388 1.786 1.00 3.70 O ATOM 1667 CB THR A 118 -18.867 5.057 2.238 1.00 3.62 C ATOM 1668 OG1 THR A 118 -18.715 5.545 3.563 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.991 4.018 2.202 1.00 4.04 C ATOM 0 H THR A 118 -17.173 4.169 3.864 1.00 3.12 H new ATOM 0 HA THR A 118 -17.767 3.627 1.056 1.00 3.08 H new ATOM 0 HB THR A 118 -19.118 5.882 1.571 1.00 3.62 H new ATOM 0 HG1 THR A 118 -17.867 6.031 3.637 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.923 4.479 2.529 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.108 3.644 1.185 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.743 3.191 2.867 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.440 5.377 -0.149 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.586 6.386 -0.836 1.00 3.07 C ATOM 1679 C PHE A 119 -15.805 6.291 -2.349 1.00 2.72 C ATOM 1680 O PHE A 119 -15.184 5.494 -3.023 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.115 6.109 -0.518 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.722 6.853 0.737 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.848 8.247 0.793 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.234 6.149 1.844 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.485 8.936 1.956 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.870 6.839 3.007 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.995 8.232 3.063 1.00 5.44 C ATOM 0 H PHE A 119 -16.808 4.638 -0.749 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.852 7.385 -0.490 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.956 5.039 -0.384 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.486 6.423 -1.351 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.225 8.790 -0.061 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.138 5.074 1.801 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.583 10.011 2.000 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.493 6.296 3.861 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.714 8.764 3.960 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.686 7.100 -2.878 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.995 7.108 -4.334 1.00 2.86 C ATOM 1699 C PRO A 120 -15.948 7.877 -5.145 1.00 3.02 C ATOM 1700 O PRO A 120 -15.145 8.608 -4.601 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.352 7.810 -4.406 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.410 8.699 -3.206 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.484 8.097 -2.145 1.00 3.80 C ATOM 0 HA PRO A 120 -16.999 6.103 -4.756 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.446 8.387 -5.326 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.168 7.087 -4.398 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.094 9.710 -3.462 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.430 8.769 -2.829 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.849 8.859 -1.693 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.052 7.635 -1.338 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.959 7.710 -6.441 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.999 8.394 -7.351 1.00 3.45 C ATOM 1713 C PRO A 121 -15.411 9.840 -7.639 1.00 3.18 C ATOM 1714 O PRO A 121 -14.632 10.632 -8.132 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.064 7.558 -8.627 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.436 6.968 -8.643 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.892 6.849 -7.186 1.00 2.74 C ATOM 0 HA PRO A 121 -14.000 8.459 -6.920 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.890 8.174 -9.510 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.301 6.779 -8.626 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.120 7.599 -9.210 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.429 5.991 -9.126 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.923 7.181 -7.064 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.845 5.817 -6.838 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.631 10.188 -7.335 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.094 11.580 -7.592 1.00 2.65 C ATOM 1727 C ASP A 122 -17.280 12.310 -6.260 1.00 2.94 C ATOM 1728 O ASP A 122 -18.039 11.890 -5.410 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.426 11.544 -8.344 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.195 11.916 -9.809 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.777 13.035 -10.057 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -18.440 11.076 -10.659 1.00 4.14 O ATOM 0 H ASP A 122 -17.327 9.568 -6.920 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.351 12.105 -8.193 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.868 10.550 -8.276 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -19.132 12.238 -7.888 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.591 13.402 -6.071 1.00 2.81 N ATOM 1738 CA GLY A 123 -16.727 14.159 -4.794 1.00 3.57 C ATOM 1739 C GLY A 123 -15.339 14.441 -4.217 1.00 3.16 C ATOM 1740 O GLY A 123 -14.331 14.139 -4.823 1.00 3.47 O ATOM 0 H GLY A 123 -15.940 13.803 -6.746 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.257 15.095 -4.969 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.319 13.586 -4.081 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.279 15.019 -3.048 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.955 15.320 -2.434 1.00 2.58 C ATOM 1746 C ASP A 124 -13.389 14.050 -1.795 1.00 2.15 C ATOM 1747 O ASP A 124 -13.034 14.034 -0.633 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.123 16.399 -1.363 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.942 17.560 -1.930 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -14.351 18.427 -2.552 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -16.145 17.561 -1.734 1.00 3.59 O ATOM 0 H ASP A 124 -16.089 15.295 -2.493 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.270 15.676 -3.203 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.621 15.982 -0.487 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.147 16.755 -1.035 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.304 12.984 -2.544 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.762 11.717 -1.977 1.00 1.67 C ATOM 1758 C ALA A 125 -12.725 10.645 -3.068 1.00 1.39 C ATOM 1759 O ALA A 125 -13.427 9.655 -3.000 1.00 1.38 O ATOM 1760 CB ALA A 125 -13.658 11.248 -0.829 1.00 2.08 C ATOM 0 H ALA A 125 -13.586 12.936 -3.523 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.753 11.888 -1.603 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -13.262 10.321 -0.414 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -13.684 12.012 -0.052 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -14.668 11.076 -1.202 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.910 10.847 -4.066 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.768 9.891 -5.201 1.00 1.14 C ATOM 1768 C PRO A 126 -10.990 8.633 -4.807 1.00 1.05 C ATOM 1769 O PRO A 126 -10.888 8.292 -3.645 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.996 10.689 -6.253 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.230 11.717 -5.489 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.032 12.017 -4.221 1.00 1.39 C ATOM 0 HA PRO A 126 -12.736 9.531 -5.550 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.327 10.044 -6.822 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.674 11.155 -6.968 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.235 11.350 -5.239 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.096 12.620 -6.084 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.379 12.143 -3.357 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.608 12.937 -4.322 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.439 7.941 -5.766 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.668 6.706 -5.449 1.00 1.03 C ATOM 1782 C GLY A 127 -8.257 7.086 -4.995 1.00 1.09 C ATOM 1783 O GLY A 127 -7.764 8.153 -5.301 1.00 1.19 O ATOM 0 H GLY A 127 -10.490 8.178 -6.757 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.173 6.140 -4.666 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.618 6.061 -6.326 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.604 6.224 -4.264 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.227 6.545 -3.793 1.00 1.26 C ATOM 1789 C GLN A 128 -5.391 5.265 -3.718 1.00 1.11 C ATOM 1790 O GLN A 128 -5.772 4.297 -3.089 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.299 7.186 -2.406 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.136 8.164 -2.232 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.577 8.046 -0.812 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.555 7.425 -0.598 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -5.209 8.621 0.174 1.00 1.99 N ATOM 0 H GLN A 128 -7.963 5.315 -3.973 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.762 7.238 -4.494 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.248 7.708 -2.284 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.258 6.416 -1.636 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.354 7.949 -2.961 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.474 9.184 -2.418 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -6.067 9.142 -0.005 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.845 8.549 1.124 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.250 5.258 -4.350 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.376 4.052 -4.316 1.00 0.91 C ATOM 1806 C VAL A 129 -1.916 4.505 -4.344 1.00 0.88 C ATOM 1807 O VAL A 129 -1.304 4.594 -5.389 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.664 3.173 -5.535 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.104 1.769 -5.297 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -5.176 3.088 -5.754 1.00 0.89 C ATOM 0 H VAL A 129 -3.883 6.041 -4.892 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.571 3.478 -3.410 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.191 3.607 -6.416 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.309 1.143 -6.166 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -2.027 1.829 -5.139 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.576 1.333 -4.416 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -5.383 2.462 -6.622 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.647 2.653 -4.873 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.576 4.088 -5.924 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.359 4.811 -3.204 1.00 0.78 N ATOM 1821 CA ALA A 130 0.054 5.281 -3.171 1.00 0.85 C ATOM 1822 C ALA A 130 0.981 4.163 -2.690 1.00 0.75 C ATOM 1823 O ALA A 130 0.781 3.579 -1.643 1.00 0.73 O ATOM 1824 CB ALA A 130 0.163 6.475 -2.222 1.00 0.98 C ATOM 0 H ALA A 130 -1.821 4.756 -2.296 1.00 0.78 H new ATOM 0 HA ALA A 130 0.353 5.574 -4.177 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.195 6.824 -2.193 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.482 7.280 -2.574 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.146 6.174 -1.221 1.00 0.98 H new ATOM 1830 N PHE A 131 2.005 3.877 -3.446 1.00 0.75 N ATOM 1831 CA PHE A 131 2.970 2.817 -3.043 1.00 0.70 C ATOM 1832 C PHE A 131 4.250 3.495 -2.550 1.00 0.77 C ATOM 1833 O PHE A 131 5.096 3.882 -3.332 1.00 0.99 O ATOM 1834 CB PHE A 131 3.295 1.943 -4.255 1.00 0.70 C ATOM 1835 CG PHE A 131 2.336 0.780 -4.336 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.034 0.901 -3.831 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.749 -0.421 -4.924 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.150 -0.181 -3.914 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.865 -1.503 -5.008 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.565 -1.383 -4.503 1.00 1.48 C ATOM 0 H PHE A 131 2.216 4.336 -4.332 1.00 0.75 H new ATOM 0 HA PHE A 131 2.543 2.196 -2.255 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.234 2.537 -5.167 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.318 1.575 -4.182 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.713 1.828 -3.379 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.752 -0.513 -5.314 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.853 -0.089 -3.524 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.185 -2.429 -5.462 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.118 -2.217 -4.567 1.00 1.48 H new ATOM 1850 N HIS A 132 4.390 3.663 -1.264 1.00 0.82 N ATOM 1851 CA HIS A 132 5.608 4.339 -0.733 1.00 0.96 C ATOM 1852 C HIS A 132 6.614 3.301 -0.234 1.00 1.03 C ATOM 1853 O HIS A 132 6.260 2.331 0.405 1.00 1.41 O ATOM 1854 CB HIS A 132 5.210 5.256 0.425 1.00 1.41 C ATOM 1855 CG HIS A 132 4.863 6.619 -0.109 1.00 1.36 C ATOM 1856 ND1 HIS A 132 4.708 7.720 0.718 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.639 7.075 -1.385 1.00 1.88 C ATOM 1858 CE1 HIS A 132 4.402 8.773 -0.059 1.00 1.96 C ATOM 1859 NE2 HIS A 132 4.347 8.436 -1.351 1.00 2.32 N ATOM 0 H HIS A 132 3.716 3.363 -0.559 1.00 0.82 H new ATOM 0 HA HIS A 132 6.068 4.923 -1.530 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.358 4.836 0.959 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.029 5.332 1.140 1.00 1.41 H new ATOM 0 HD1 HIS A 132 4.808 7.730 1.733 1.00 1.70 H new ATOM 0 HD2 HIS A 132 4.683 6.470 -2.279 1.00 1.88 H new ATOM 0 HE1 HIS A 132 4.222 9.770 0.315 1.00 1.96 H new ATOM 1867 N LEU A 133 7.871 3.509 -0.517 1.00 1.00 N ATOM 1868 CA LEU A 133 8.914 2.547 -0.060 1.00 1.39 C ATOM 1869 C LEU A 133 10.164 3.323 0.364 1.00 1.62 C ATOM 1870 O LEU A 133 11.190 2.748 0.667 1.00 2.04 O ATOM 1871 CB LEU A 133 9.269 1.591 -1.201 1.00 1.58 C ATOM 1872 CG LEU A 133 8.278 1.772 -2.353 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.495 3.139 -3.008 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.500 0.668 -3.390 1.00 2.11 C ATOM 0 H LEU A 133 8.222 4.307 -1.047 1.00 1.00 H new ATOM 0 HA LEU A 133 8.534 1.972 0.785 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.284 1.785 -1.548 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.245 0.561 -0.846 1.00 1.58 H new ATOM 0 HG LEU A 133 7.260 1.714 -1.969 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.788 3.266 -3.828 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.339 3.925 -2.269 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.513 3.200 -3.393 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.795 0.794 -4.212 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.519 0.728 -3.773 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.344 -0.305 -2.924 1.00 2.11 H new ATOM 1886 N GLY A 134 10.085 4.627 0.387 1.00 1.46 N ATOM 1887 CA GLY A 134 11.267 5.441 0.791 1.00 1.77 C ATOM 1888 C GLY A 134 11.646 5.112 2.235 1.00 1.08 C ATOM 1889 O GLY A 134 10.802 4.808 3.052 1.00 0.83 O ATOM 0 H GLY A 134 9.252 5.163 0.143 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.107 5.235 0.128 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.040 6.503 0.697 1.00 1.77 H new ATOM 1893 N LYS A 135 12.910 5.173 2.555 1.00 1.23 N ATOM 1894 CA LYS A 135 13.347 4.865 3.948 1.00 1.09 C ATOM 1895 C LYS A 135 14.865 4.999 4.043 1.00 1.32 C ATOM 1896 O LYS A 135 15.595 4.482 3.222 1.00 1.76 O ATOM 1897 CB LYS A 135 12.944 3.430 4.314 1.00 1.93 C ATOM 1898 CG LYS A 135 11.542 3.398 4.935 1.00 2.37 C ATOM 1899 CD LYS A 135 11.573 2.558 6.214 1.00 3.36 C ATOM 1900 CE LYS A 135 12.264 1.223 5.932 1.00 4.04 C ATOM 1901 NZ LYS A 135 11.497 0.121 6.576 1.00 5.06 N ATOM 0 H LYS A 135 13.661 5.423 1.911 1.00 1.23 H new ATOM 0 HA LYS A 135 12.870 5.562 4.637 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.966 2.803 3.423 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.667 3.012 5.015 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.208 4.411 5.160 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.828 2.977 4.227 1.00 2.37 H new ATOM 0 HD2 LYS A 135 12.103 3.095 7.001 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.558 2.386 6.573 1.00 3.36 H new ATOM 0 HE2 LYS A 135 12.329 1.055 4.857 1.00 4.04 H new ATOM 0 HE3 LYS A 135 13.285 1.242 6.314 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 11.967 -0.787 6.384 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 11.457 0.280 7.603 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 10.531 0.099 6.191 1.00 5.06 H new ATOM 1915 N ALA A 136 15.352 5.680 5.044 1.00 1.56 N ATOM 1916 CA ALA A 136 16.826 5.820 5.180 1.00 1.90 C ATOM 1917 C ALA A 136 17.444 4.438 4.993 1.00 2.22 C ATOM 1918 O ALA A 136 18.588 4.295 4.609 1.00 2.64 O ATOM 1919 CB ALA A 136 17.171 6.360 6.570 1.00 2.27 C ATOM 0 H ALA A 136 14.798 6.141 5.766 1.00 1.56 H new ATOM 0 HA ALA A 136 17.213 6.515 4.435 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.252 6.460 6.663 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.703 7.335 6.708 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.804 5.670 7.330 1.00 2.27 H new ATOM 1925 N GLY A 137 16.674 3.417 5.250 1.00 2.17 N ATOM 1926 CA GLY A 137 17.179 2.029 5.075 1.00 2.51 C ATOM 1927 C GLY A 137 16.540 1.433 3.822 1.00 1.81 C ATOM 1928 O GLY A 137 16.664 0.256 3.549 1.00 2.11 O ATOM 0 H GLY A 137 15.710 3.487 5.576 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.265 2.030 4.982 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.935 1.424 5.948 1.00 2.51 H new ATOM 1932 N ALA A 138 15.848 2.244 3.064 1.00 1.23 N ATOM 1933 CA ALA A 138 15.189 1.743 1.823 1.00 1.37 C ATOM 1934 C ALA A 138 16.188 0.935 0.988 1.00 1.13 C ATOM 1935 O ALA A 138 17.219 0.511 1.468 1.00 1.41 O ATOM 1936 CB ALA A 138 14.683 2.931 1.003 1.00 2.32 C ATOM 0 H ALA A 138 15.711 3.237 3.253 1.00 1.23 H new ATOM 0 HA ALA A 138 14.352 1.101 2.096 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.201 2.568 0.095 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.964 3.500 1.593 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.523 3.573 0.736 1.00 2.32 H new ATOM 1942 N TYR A 139 15.887 0.712 -0.263 1.00 0.82 N ATOM 1943 CA TYR A 139 16.817 -0.083 -1.116 1.00 0.75 C ATOM 1944 C TYR A 139 16.328 -0.076 -2.571 1.00 0.76 C ATOM 1945 O TYR A 139 16.352 0.944 -3.229 1.00 0.83 O ATOM 1946 CB TYR A 139 16.881 -1.507 -0.564 1.00 0.74 C ATOM 1947 CG TYR A 139 15.571 -1.851 0.112 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.474 -2.291 -0.642 1.00 1.41 C ATOM 1949 CD2 TYR A 139 15.456 -1.725 1.502 1.00 1.42 C ATOM 1950 CE1 TYR A 139 13.266 -2.603 -0.005 1.00 1.42 C ATOM 1951 CE2 TYR A 139 14.249 -2.037 2.137 1.00 1.61 C ATOM 1952 CZ TYR A 139 13.154 -2.476 1.384 1.00 1.11 C ATOM 1953 OH TYR A 139 11.963 -2.782 2.011 1.00 1.32 O ATOM 0 H TYR A 139 15.043 1.044 -0.729 1.00 0.82 H new ATOM 0 HA TYR A 139 17.815 0.354 -1.100 1.00 0.75 H new ATOM 0 HB2 TYR A 139 17.081 -2.212 -1.371 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.702 -1.595 0.147 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.560 -2.389 -1.714 1.00 1.41 H new ATOM 0 HD2 TYR A 139 16.300 -1.387 2.085 1.00 1.42 H new ATOM 0 HE1 TYR A 139 12.421 -2.942 -0.586 1.00 1.42 H new ATOM 0 HE2 TYR A 139 14.162 -1.939 3.209 1.00 1.61 H new ATOM 0 HH TYR A 139 11.866 -2.231 2.815 1.00 1.32 H new ATOM 1963 N GLU A 140 15.890 -1.194 -3.087 1.00 0.80 N ATOM 1964 CA GLU A 140 15.410 -1.224 -4.499 1.00 0.87 C ATOM 1965 C GLU A 140 14.030 -1.888 -4.561 1.00 0.77 C ATOM 1966 O GLU A 140 13.683 -2.694 -3.720 1.00 0.73 O ATOM 1967 CB GLU A 140 16.397 -2.020 -5.356 1.00 1.13 C ATOM 1968 CG GLU A 140 17.819 -1.517 -5.099 1.00 0.93 C ATOM 1969 CD GLU A 140 18.532 -2.472 -4.141 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.576 -3.655 -4.436 1.00 1.65 O ATOM 1971 OE2 GLU A 140 19.023 -2.004 -3.126 1.00 1.25 O ATOM 0 H GLU A 140 15.844 -2.085 -2.593 1.00 0.80 H new ATOM 0 HA GLU A 140 15.338 -0.204 -4.877 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.327 -3.082 -5.118 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.147 -1.912 -6.412 1.00 1.13 H new ATOM 0 HG2 GLU A 140 18.368 -1.450 -6.038 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.790 -0.513 -4.675 1.00 0.93 H new ATOM 1978 N PHE A 141 13.241 -1.557 -5.548 1.00 0.77 N ATOM 1979 CA PHE A 141 11.886 -2.173 -5.657 1.00 0.75 C ATOM 1980 C PHE A 141 11.615 -2.572 -7.111 1.00 0.72 C ATOM 1981 O PHE A 141 11.732 -1.769 -8.015 1.00 0.73 O ATOM 1982 CB PHE A 141 10.832 -1.162 -5.201 1.00 0.79 C ATOM 1983 CG PHE A 141 9.508 -1.864 -5.007 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.398 -2.907 -4.080 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.392 -1.472 -5.755 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.172 -3.557 -3.899 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.166 -2.122 -5.575 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.056 -3.164 -4.647 1.00 1.00 C ATOM 0 H PHE A 141 13.475 -0.888 -6.282 1.00 0.77 H new ATOM 0 HA PHE A 141 11.840 -3.061 -5.026 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.145 -0.690 -4.270 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.730 -0.369 -5.942 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.260 -3.210 -3.504 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.477 -0.668 -6.471 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.087 -4.361 -3.183 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.305 -1.820 -6.152 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.109 -3.665 -4.508 1.00 1.00 H new ATOM 1998 N CYS A 142 11.256 -3.807 -7.343 1.00 0.70 N ATOM 1999 CA CYS A 142 10.983 -4.258 -8.737 1.00 0.68 C ATOM 2000 C CYS A 142 9.524 -4.704 -8.872 1.00 0.68 C ATOM 2001 O CYS A 142 9.176 -5.816 -8.535 1.00 0.74 O ATOM 2002 CB CYS A 142 11.898 -5.439 -9.067 1.00 0.68 C ATOM 2003 SG CYS A 142 13.448 -4.861 -9.807 1.00 0.72 S ATOM 0 H CYS A 142 11.140 -4.523 -6.626 1.00 0.70 H new ATOM 0 HA CYS A 142 11.169 -3.432 -9.423 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.111 -6.005 -8.160 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.392 -6.117 -9.754 1.00 0.68 H new ATOM 2008 N ILE A 143 8.676 -3.850 -9.379 1.00 0.83 N ATOM 2009 CA ILE A 143 7.242 -4.225 -9.560 1.00 0.89 C ATOM 2010 C ILE A 143 6.954 -4.369 -11.050 1.00 0.92 C ATOM 2011 O ILE A 143 7.481 -3.649 -11.875 1.00 0.91 O ATOM 2012 CB ILE A 143 6.344 -3.148 -8.939 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.156 -2.840 -9.858 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.155 -1.871 -8.717 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.227 -1.837 -9.171 1.00 1.22 C ATOM 0 H ILE A 143 8.915 -2.904 -9.677 1.00 0.83 H new ATOM 0 HA ILE A 143 7.037 -5.173 -9.062 1.00 0.89 H new ATOM 0 HB ILE A 143 5.966 -3.518 -7.986 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.511 -2.434 -10.805 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.613 -3.757 -10.088 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.516 -1.106 -8.276 1.00 0.92 H new ATOM 0 HG22 ILE A 143 7.987 -2.081 -8.045 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.541 -1.514 -9.672 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.382 -1.617 -9.824 1.00 1.22 H new ATOM 0 HD12 ILE A 143 3.862 -2.261 -8.235 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.774 -0.917 -8.964 1.00 1.22 H new ATOM 2027 N SER A 144 6.123 -5.306 -11.393 1.00 1.00 N ATOM 2028 CA SER A 144 5.794 -5.522 -12.827 1.00 1.07 C ATOM 2029 C SER A 144 4.277 -5.550 -13.001 1.00 1.14 C ATOM 2030 O SER A 144 3.766 -5.388 -14.092 1.00 1.33 O ATOM 2031 CB SER A 144 6.385 -6.854 -13.290 1.00 1.17 C ATOM 2032 OG SER A 144 5.772 -7.914 -12.568 1.00 1.28 O ATOM 0 H SER A 144 5.655 -5.935 -10.741 1.00 1.00 H new ATOM 0 HA SER A 144 6.214 -4.712 -13.423 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.223 -6.985 -14.360 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.463 -6.863 -13.128 1.00 1.17 H new ATOM 0 HG SER A 144 6.147 -8.770 -12.863 1.00 1.28 H new ATOM 2038 N GLN A 145 3.547 -5.754 -11.938 1.00 1.08 N ATOM 2039 CA GLN A 145 2.060 -5.790 -12.072 1.00 1.29 C ATOM 2040 C GLN A 145 1.391 -5.367 -10.763 1.00 1.38 C ATOM 2041 O GLN A 145 2.016 -5.288 -9.723 1.00 1.99 O ATOM 2042 CB GLN A 145 1.599 -7.205 -12.436 1.00 1.40 C ATOM 2043 CG GLN A 145 2.620 -7.863 -13.369 1.00 1.94 C ATOM 2044 CD GLN A 145 2.176 -9.292 -13.682 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.835 -9.998 -14.420 1.00 2.30 O ATOM 2046 NE2 GLN A 145 1.076 -9.753 -13.150 1.00 3.30 N ATOM 0 H GLN A 145 3.908 -5.896 -10.995 1.00 1.08 H new ATOM 0 HA GLN A 145 1.773 -5.095 -12.861 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.482 -7.802 -11.532 1.00 1.40 H new ATOM 0 HB3 GLN A 145 0.623 -7.165 -12.920 1.00 1.40 H new ATOM 0 HG2 GLN A 145 2.710 -7.288 -14.291 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.604 -7.871 -12.901 1.00 1.94 H new ATOM 0 HE21 GLN A 145 0.522 -9.161 -12.531 1.00 3.30 H new ATOM 0 HE22 GLN A 145 0.771 -10.705 -13.354 1.00 3.30 H new ATOM 2055 N VAL A 146 0.114 -5.098 -10.816 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.630 -4.681 -9.595 1.00 1.53 C ATOM 2057 C VAL A 146 -2.128 -4.681 -9.903 1.00 1.48 C ATOM 2058 O VAL A 146 -2.676 -3.705 -10.374 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.185 -3.277 -9.182 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.425 -2.304 -10.337 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.985 -2.828 -7.958 1.00 2.16 C ATOM 0 H VAL A 146 -0.451 -5.150 -11.664 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.425 -5.374 -8.779 1.00 1.53 H new ATOM 0 HB VAL A 146 0.877 -3.290 -8.936 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.108 -1.304 -10.042 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.147 -2.624 -11.208 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.486 -2.289 -10.586 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.668 -1.828 -7.663 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -2.047 -2.815 -8.202 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.810 -3.521 -7.135 1.00 2.16 H new ATOM 2071 N SER A 147 -2.793 -5.779 -9.662 1.00 1.63 N ATOM 2072 CA SER A 147 -4.250 -5.850 -9.964 1.00 1.76 C ATOM 2073 C SER A 147 -5.071 -5.423 -8.745 1.00 2.04 C ATOM 2074 O SER A 147 -4.755 -5.754 -7.618 1.00 2.17 O ATOM 2075 CB SER A 147 -4.618 -7.286 -10.343 1.00 2.02 C ATOM 2076 OG SER A 147 -5.592 -7.262 -11.377 1.00 2.76 O ATOM 0 H SER A 147 -2.389 -6.629 -9.269 1.00 1.63 H new ATOM 0 HA SER A 147 -4.472 -5.176 -10.792 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.731 -7.826 -10.675 1.00 2.02 H new ATOM 0 HB3 SER A 147 -5.007 -7.816 -9.473 1.00 2.02 H new ATOM 0 HG SER A 147 -5.829 -8.180 -11.624 1.00 2.76 H new ATOM 2082 N LEU A 148 -6.134 -4.698 -8.973 1.00 2.31 N ATOM 2083 CA LEU A 148 -7.000 -4.250 -7.846 1.00 2.65 C ATOM 2084 C LEU A 148 -8.433 -4.720 -8.114 1.00 2.54 C ATOM 2085 O LEU A 148 -9.188 -4.076 -8.813 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.957 -2.721 -7.750 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.152 -2.201 -6.942 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.245 -2.940 -5.605 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.967 -0.706 -6.678 1.00 3.26 C ATOM 0 H LEU A 148 -6.440 -4.396 -9.898 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.647 -4.673 -6.905 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.026 -2.406 -7.278 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.970 -2.287 -8.750 1.00 3.24 H new ATOM 0 HG LEU A 148 -9.068 -2.371 -7.508 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.097 -2.563 -5.039 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.374 -4.007 -5.787 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.330 -2.777 -5.035 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.814 -0.330 -6.104 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.047 -0.547 -6.115 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.908 -0.174 -7.627 1.00 3.26 H new ATOM 2101 N THR A 149 -8.802 -5.850 -7.574 1.00 2.09 N ATOM 2102 CA THR A 149 -10.177 -6.383 -7.802 1.00 2.24 C ATOM 2103 C THR A 149 -10.314 -7.735 -7.100 1.00 1.93 C ATOM 2104 O THR A 149 -9.758 -7.951 -6.040 1.00 1.84 O ATOM 2105 CB THR A 149 -10.416 -6.573 -9.296 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.721 -7.089 -9.478 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.376 -7.555 -9.842 1.00 2.42 C ATOM 0 H THR A 149 -8.208 -6.430 -6.982 1.00 2.09 H new ATOM 0 HA THR A 149 -10.907 -5.678 -7.404 1.00 2.24 H new ATOM 0 HB THR A 149 -10.323 -5.626 -9.827 1.00 2.53 H new ATOM 0 HG1 THR A 149 -12.357 -6.564 -8.949 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.537 -7.699 -10.910 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.376 -7.155 -9.676 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.474 -8.511 -9.328 1.00 2.42 H new ATOM 2115 N THR A 150 -11.044 -8.652 -7.679 1.00 1.92 N ATOM 2116 CA THR A 150 -11.198 -9.986 -7.030 1.00 1.72 C ATOM 2117 C THR A 150 -10.805 -11.087 -8.017 1.00 1.75 C ATOM 2118 O THR A 150 -10.119 -10.845 -8.990 1.00 2.00 O ATOM 2119 CB THR A 150 -12.653 -10.182 -6.597 1.00 1.59 C ATOM 2120 OG1 THR A 150 -12.736 -11.301 -5.724 1.00 1.52 O ATOM 2121 CG2 THR A 150 -13.529 -10.426 -7.826 1.00 1.66 C ATOM 0 H THR A 150 -11.536 -8.536 -8.565 1.00 1.92 H new ATOM 0 HA THR A 150 -10.550 -10.037 -6.155 1.00 1.72 H new ATOM 0 HB THR A 150 -13.002 -9.288 -6.081 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.666 -11.429 -5.443 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.564 -10.565 -7.513 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.464 -9.568 -8.495 1.00 1.66 H new ATOM 0 HG23 THR A 150 -13.184 -11.319 -8.347 1.00 1.66 H new