USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 451 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 120 MET CE :methyl -155:sc= -2.92! (180deg=-5.28!) USER MOD Set 1.2: A 157 MET CE :methyl 158:sc= -3.42! (180deg=-0.0538) USER MOD Single : A 98 SER OG : rot 101:sc= 1.33 USER MOD Single : A 103 MET CE :methyl 159:sc= -5.1! (180deg=-5.64!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -6.15! C(o=-6.2!,f=-7.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 156:sc= -0.11 (180deg=-1.07) USER MOD Single : A 122 GLN : amide:sc= -3.29! C(o=-3.3!,f=-9.9!) USER MOD Single : A 129 THR OG1 : rot 14:sc= 0.856 USER MOD Single : A 137 MET CE :methyl 140:sc= -2.44! (180deg=-4.29!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -13.3! C(o=-13!,f=-24!) USER MOD Single : A 144 ASN : amide:sc= -0.0355 X(o=-0.036,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.320 -10.898 -2.603 1.00 1.38 N ATOM 156 CA GLU A 96 63.077 -10.249 -3.108 1.00 1.34 C ATOM 157 C GLU A 96 63.100 -8.753 -2.787 1.00 1.16 C ATOM 158 O GLU A 96 62.421 -7.963 -3.412 1.00 1.07 O ATOM 159 CB GLU A 96 61.936 -10.940 -2.360 1.00 1.51 C ATOM 160 CG GLU A 96 61.022 -11.648 -3.363 1.00 2.07 C ATOM 161 CD GLU A 96 61.432 -13.116 -3.479 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.339 -13.516 -2.768 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.833 -13.817 -4.278 1.00 2.60 O ATOM 0 HA GLU A 96 62.970 -10.343 -4.189 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.338 -11.660 -1.647 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.367 -10.208 -1.787 1.00 1.51 H new ATOM 0 HG2 GLU A 96 59.984 -11.574 -3.040 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.088 -11.163 -4.337 1.00 2.07 H new ATOM 170 N LEU A 97 63.879 -8.358 -1.818 1.00 1.14 N ATOM 171 CA LEU A 97 63.950 -6.914 -1.455 1.00 0.99 C ATOM 172 C LEU A 97 64.422 -6.087 -2.655 1.00 0.82 C ATOM 173 O LEU A 97 63.918 -5.014 -2.918 1.00 0.70 O ATOM 174 CB LEU A 97 64.973 -6.843 -0.319 1.00 1.03 C ATOM 175 CG LEU A 97 64.298 -7.206 1.005 1.00 1.31 C ATOM 176 CD1 LEU A 97 63.395 -6.055 1.449 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.456 -8.472 0.824 1.00 1.71 C ATOM 0 H LEU A 97 64.471 -8.974 -1.261 1.00 1.14 H new ATOM 0 HA LEU A 97 62.980 -6.515 -1.158 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.799 -7.526 -0.517 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.396 -5.840 -0.260 1.00 1.03 H new ATOM 0 HG LEU A 97 65.062 -7.384 1.762 1.00 1.31 H new ATOM 0 HD11 LEU A 97 62.914 -6.313 2.392 1.00 1.57 H new ATOM 0 HD12 LEU A 97 63.993 -5.154 1.582 1.00 1.57 H new ATOM 0 HD13 LEU A 97 62.633 -5.877 0.690 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.976 -8.728 1.769 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.693 -8.296 0.066 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.098 -9.294 0.509 1.00 1.71 H new ATOM 189 N SER A 98 65.388 -6.579 -3.383 1.00 0.87 N ATOM 190 CA SER A 98 65.893 -5.819 -4.563 1.00 0.78 C ATOM 191 C SER A 98 64.814 -5.741 -5.647 1.00 0.75 C ATOM 192 O SER A 98 64.408 -4.671 -6.056 1.00 0.74 O ATOM 193 CB SER A 98 67.096 -6.619 -5.063 1.00 0.93 C ATOM 194 OG SER A 98 67.995 -5.745 -5.732 1.00 1.41 O ATOM 0 H SER A 98 65.849 -7.473 -3.212 1.00 0.87 H new ATOM 0 HA SER A 98 66.161 -4.794 -4.308 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.598 -7.105 -4.226 1.00 0.93 H new ATOM 0 HB3 SER A 98 66.767 -7.408 -5.739 1.00 0.93 H new ATOM 0 HG SER A 98 68.741 -5.525 -5.136 1.00 1.41 H new ATOM 200 N ASP A 99 64.346 -6.865 -6.116 1.00 0.80 N ATOM 201 CA ASP A 99 63.295 -6.854 -7.174 1.00 0.82 C ATOM 202 C ASP A 99 62.162 -5.900 -6.786 1.00 0.77 C ATOM 203 O ASP A 99 61.533 -5.293 -7.631 1.00 0.77 O ATOM 204 CB ASP A 99 62.784 -8.293 -7.240 1.00 0.93 C ATOM 205 CG ASP A 99 63.841 -9.179 -7.902 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.006 -8.824 -7.842 1.00 2.18 O ATOM 207 OD2 ASP A 99 63.467 -10.199 -8.457 1.00 1.92 O ATOM 0 H ASP A 99 64.646 -7.791 -5.812 1.00 0.80 H new ATOM 0 HA ASP A 99 63.681 -6.514 -8.135 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.564 -8.659 -6.237 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.853 -8.334 -7.806 1.00 0.93 H new ATOM 212 N LEU A 100 61.895 -5.766 -5.516 1.00 0.77 N ATOM 213 CA LEU A 100 60.802 -4.852 -5.078 1.00 0.77 C ATOM 214 C LEU A 100 61.256 -3.393 -5.187 1.00 0.64 C ATOM 215 O LEU A 100 60.516 -2.534 -5.624 1.00 0.64 O ATOM 216 CB LEU A 100 60.535 -5.226 -3.621 1.00 0.85 C ATOM 217 CG LEU A 100 59.570 -6.411 -3.567 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.311 -6.793 -2.109 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.248 -6.020 -4.234 1.00 1.57 C ATOM 0 H LEU A 100 62.386 -6.249 -4.763 1.00 0.77 H new ATOM 0 HA LEU A 100 59.908 -4.951 -5.694 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.470 -5.482 -3.123 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.112 -4.375 -3.088 1.00 0.85 H new ATOM 0 HG LEU A 100 60.007 -7.260 -4.092 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.623 -7.638 -2.071 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.252 -7.069 -1.633 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.873 -5.945 -1.583 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.558 -6.863 -4.197 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.812 -5.171 -3.707 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.432 -5.747 -5.273 1.00 1.57 H new ATOM 231 N PHE A 101 62.466 -3.107 -4.793 1.00 0.60 N ATOM 232 CA PHE A 101 62.966 -1.703 -4.875 1.00 0.53 C ATOM 233 C PHE A 101 62.846 -1.186 -6.311 1.00 0.49 C ATOM 234 O PHE A 101 62.291 -0.134 -6.558 1.00 0.61 O ATOM 235 CB PHE A 101 64.433 -1.781 -4.451 1.00 0.57 C ATOM 236 CG PHE A 101 65.069 -0.418 -4.571 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.552 0.025 -5.809 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.178 0.406 -3.444 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.142 1.289 -5.918 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.769 1.670 -3.554 1.00 1.23 C ATOM 241 CZ PHE A 101 66.250 2.112 -4.791 1.00 0.40 C ATOM 0 H PHE A 101 63.131 -3.783 -4.418 1.00 0.60 H new ATOM 0 HA PHE A 101 62.397 -1.021 -4.243 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.506 -2.138 -3.424 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.965 -2.498 -5.077 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.469 -0.609 -6.679 1.00 1.31 H new ATOM 0 HD2 PHE A 101 64.806 0.066 -2.489 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.514 1.630 -6.873 1.00 1.30 H new ATOM 0 HE2 PHE A 101 65.854 2.304 -2.684 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.705 3.088 -4.876 1.00 0.40 H new ATOM 251 N ARG A 102 63.362 -1.920 -7.259 1.00 0.53 N ATOM 252 CA ARG A 102 63.275 -1.473 -8.680 1.00 0.70 C ATOM 253 C ARG A 102 61.834 -1.598 -9.184 1.00 0.80 C ATOM 254 O ARG A 102 61.422 -0.906 -10.094 1.00 1.09 O ATOM 255 CB ARG A 102 64.197 -2.420 -9.449 1.00 0.87 C ATOM 256 CG ARG A 102 64.880 -1.660 -10.588 1.00 1.28 C ATOM 257 CD ARG A 102 65.832 -2.601 -11.331 1.00 1.83 C ATOM 258 NE ARG A 102 66.452 -1.762 -12.392 1.00 2.26 N ATOM 259 CZ ARG A 102 66.395 -2.139 -13.641 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.218 -3.049 -14.086 1.00 3.22 N ATOM 261 NH2 ARG A 102 65.514 -1.607 -14.443 1.00 3.68 N ATOM 0 H ARG A 102 63.840 -2.809 -7.112 1.00 0.53 H new ATOM 0 HA ARG A 102 63.566 -0.430 -8.805 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.946 -2.839 -8.777 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.624 -3.257 -9.849 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.132 -1.265 -11.276 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.431 -0.807 -10.191 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.587 -3.010 -10.659 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.295 -3.447 -11.760 1.00 1.83 H new ATOM 0 HE ARG A 102 66.922 -0.892 -12.144 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.906 -3.466 -13.458 1.00 3.22 H new ATOM 0 HH12 ARG A 102 67.174 -3.344 -15.062 1.00 3.22 H new ATOM 0 HH21 ARG A 102 64.870 -0.897 -14.094 1.00 3.68 H new ATOM 0 HH22 ARG A 102 65.469 -1.901 -15.419 1.00 3.68 H new ATOM 275 N MET A 103 61.067 -2.475 -8.596 1.00 0.68 N ATOM 276 CA MET A 103 59.653 -2.646 -9.040 1.00 0.81 C ATOM 277 C MET A 103 58.749 -1.629 -8.338 1.00 0.79 C ATOM 278 O MET A 103 57.556 -1.586 -8.565 1.00 0.90 O ATOM 279 CB MET A 103 59.279 -4.070 -8.628 1.00 0.91 C ATOM 280 CG MET A 103 57.765 -4.253 -8.752 1.00 1.35 C ATOM 281 SD MET A 103 57.386 -6.007 -8.991 1.00 1.92 S ATOM 282 CE MET A 103 58.271 -6.631 -7.542 1.00 1.63 C ATOM 0 H MET A 103 61.357 -3.080 -7.828 1.00 0.68 H new ATOM 0 HA MET A 103 59.535 -2.487 -10.112 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.797 -4.791 -9.260 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.597 -4.259 -7.603 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.269 -3.882 -7.855 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.385 -3.670 -9.591 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.882 -7.613 -7.273 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.333 -6.712 -7.772 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.132 -5.944 -6.707 1.00 1.63 H new ATOM 292 N PHE A 104 59.306 -0.811 -7.488 1.00 0.71 N ATOM 293 CA PHE A 104 58.474 0.201 -6.775 1.00 0.75 C ATOM 294 C PHE A 104 59.086 1.597 -6.937 1.00 0.68 C ATOM 295 O PHE A 104 58.675 2.543 -6.293 1.00 0.80 O ATOM 296 CB PHE A 104 58.492 -0.231 -5.307 1.00 0.76 C ATOM 297 CG PHE A 104 57.274 -1.075 -5.016 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.000 -0.493 -5.031 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.415 -2.440 -4.735 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.870 -1.274 -4.764 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.284 -3.221 -4.467 1.00 1.90 C ATOM 302 CZ PHE A 104 55.012 -2.638 -4.482 1.00 1.76 C ATOM 0 H PHE A 104 60.299 -0.799 -7.256 1.00 0.71 H new ATOM 0 HA PHE A 104 57.459 0.253 -7.168 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.399 -0.797 -5.094 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.504 0.645 -4.659 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.890 0.559 -5.249 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.397 -2.890 -4.725 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.888 -0.824 -4.775 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.393 -4.273 -4.249 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.140 -3.240 -4.276 1.00 1.76 H new ATOM 312 N ASP A 105 60.063 1.731 -7.792 1.00 0.58 N ATOM 313 CA ASP A 105 60.699 3.065 -7.995 1.00 0.52 C ATOM 314 C ASP A 105 59.810 3.949 -8.873 1.00 0.52 C ATOM 315 O ASP A 105 60.015 4.065 -10.064 1.00 0.60 O ATOM 316 CB ASP A 105 62.025 2.773 -8.698 1.00 0.60 C ATOM 317 CG ASP A 105 62.977 3.956 -8.513 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.554 4.945 -7.936 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.111 3.855 -8.950 1.00 0.54 O ATOM 0 H ASP A 105 60.448 0.975 -8.359 1.00 0.58 H new ATOM 0 HA ASP A 105 60.846 3.597 -7.055 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.472 1.866 -8.290 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.853 2.594 -9.759 1.00 0.60 H new ATOM 324 N LYS A 106 58.823 4.575 -8.290 1.00 0.51 N ATOM 325 CA LYS A 106 57.922 5.454 -9.091 1.00 0.60 C ATOM 326 C LYS A 106 58.750 6.472 -9.880 1.00 0.59 C ATOM 327 O LYS A 106 58.504 6.716 -11.045 1.00 0.70 O ATOM 328 CB LYS A 106 57.042 6.158 -8.060 1.00 0.63 C ATOM 329 CG LYS A 106 56.210 7.240 -8.753 1.00 1.39 C ATOM 330 CD LYS A 106 55.512 6.639 -9.975 1.00 1.58 C ATOM 331 CE LYS A 106 54.695 5.417 -9.550 1.00 2.00 C ATOM 332 NZ LYS A 106 53.696 5.226 -10.637 1.00 2.79 N ATOM 0 H LYS A 106 58.602 4.516 -7.296 1.00 0.51 H new ATOM 0 HA LYS A 106 57.330 4.895 -9.816 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.386 5.437 -7.572 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.661 6.603 -7.281 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.472 7.645 -8.061 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.850 8.068 -9.057 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.861 7.382 -10.436 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.250 6.353 -10.724 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.329 4.538 -9.438 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.207 5.583 -8.590 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.097 4.405 -10.418 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.102 6.076 -10.716 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.190 5.063 -11.538 1.00 2.79 H new ATOM 346 N ASN A 107 59.731 7.065 -9.256 1.00 0.53 N ATOM 347 CA ASN A 107 60.573 8.064 -9.978 1.00 0.59 C ATOM 348 C ASN A 107 61.521 7.347 -10.945 1.00 0.60 C ATOM 349 O ASN A 107 61.861 7.860 -11.992 1.00 0.71 O ATOM 350 CB ASN A 107 61.357 8.785 -8.879 1.00 0.62 C ATOM 351 CG ASN A 107 62.582 9.479 -9.484 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.627 9.537 -8.868 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.495 10.009 -10.674 1.00 1.67 N ATOM 0 H ASN A 107 59.986 6.903 -8.282 1.00 0.53 H new ATOM 0 HA ASN A 107 59.981 8.759 -10.574 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.719 9.518 -8.386 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.671 8.072 -8.117 1.00 0.62 H new ATOM 0 HD21 ASN A 107 63.305 10.472 -11.087 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.617 9.960 -11.191 1.00 1.67 H new ATOM 360 N ALA A 108 61.946 6.159 -10.603 1.00 0.56 N ATOM 361 CA ALA A 108 62.868 5.407 -11.504 1.00 0.62 C ATOM 362 C ALA A 108 64.184 6.169 -11.681 1.00 0.64 C ATOM 363 O ALA A 108 64.501 6.635 -12.757 1.00 0.78 O ATOM 364 CB ALA A 108 62.124 5.308 -12.836 1.00 0.72 C ATOM 0 H ALA A 108 61.695 5.678 -9.740 1.00 0.56 H new ATOM 0 HA ALA A 108 63.124 4.426 -11.103 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.737 4.766 -13.556 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.183 4.777 -12.689 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.920 6.310 -13.214 1.00 0.72 H new ATOM 370 N ASP A 109 64.955 6.299 -10.635 1.00 0.57 N ATOM 371 CA ASP A 109 66.249 7.032 -10.754 1.00 0.63 C ATOM 372 C ASP A 109 67.337 6.329 -9.933 1.00 0.63 C ATOM 373 O ASP A 109 68.431 6.834 -9.777 1.00 0.76 O ATOM 374 CB ASP A 109 65.964 8.432 -10.198 1.00 0.62 C ATOM 375 CG ASP A 109 66.000 8.402 -8.667 1.00 0.70 C ATOM 376 OD1 ASP A 109 65.072 7.866 -8.084 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.955 8.912 -8.106 1.00 1.20 O ATOM 0 H ASP A 109 64.746 5.931 -9.707 1.00 0.57 H new ATOM 0 HA ASP A 109 66.610 7.070 -11.782 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.703 9.140 -10.574 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.989 8.777 -10.541 1.00 0.62 H new ATOM 382 N GLY A 110 67.045 5.172 -9.404 1.00 0.58 N ATOM 383 CA GLY A 110 68.064 4.448 -8.593 1.00 0.62 C ATOM 384 C GLY A 110 67.725 4.590 -7.108 1.00 0.54 C ATOM 385 O GLY A 110 68.104 3.772 -6.293 1.00 0.57 O ATOM 0 H GLY A 110 66.147 4.698 -9.498 1.00 0.58 H new ATOM 0 HA2 GLY A 110 68.087 3.395 -8.873 1.00 0.62 H new ATOM 0 HA3 GLY A 110 69.057 4.852 -8.791 1.00 0.62 H new ATOM 389 N TYR A 111 67.011 5.621 -6.750 1.00 0.50 N ATOM 390 CA TYR A 111 66.644 5.815 -5.319 1.00 0.48 C ATOM 391 C TYR A 111 65.146 6.104 -5.199 1.00 0.42 C ATOM 392 O TYR A 111 64.455 6.258 -6.185 1.00 0.52 O ATOM 393 CB TYR A 111 67.460 7.023 -4.856 1.00 0.52 C ATOM 394 CG TYR A 111 68.935 6.729 -5.000 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.530 6.736 -6.267 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.707 6.453 -3.865 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.898 6.470 -6.398 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.074 6.186 -3.997 1.00 1.40 C ATOM 399 CZ TYR A 111 71.671 6.194 -5.262 1.00 0.83 C ATOM 400 OH TYR A 111 73.019 5.932 -5.392 1.00 0.97 O ATOM 0 H TYR A 111 66.665 6.338 -7.387 1.00 0.50 H new ATOM 0 HA TYR A 111 66.851 4.931 -4.716 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.195 7.900 -5.446 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.226 7.255 -3.817 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.934 6.946 -7.143 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.247 6.446 -2.888 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.358 6.477 -7.375 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.669 5.973 -3.121 1.00 1.40 H new ATOM 0 HH TYR A 111 73.406 5.762 -4.508 1.00 0.97 H new ATOM 410 N ILE A 112 64.638 6.181 -4.000 1.00 0.36 N ATOM 411 CA ILE A 112 63.185 6.460 -3.827 1.00 0.32 C ATOM 412 C ILE A 112 62.958 7.441 -2.678 1.00 0.35 C ATOM 413 O ILE A 112 63.559 7.336 -1.628 1.00 0.43 O ATOM 414 CB ILE A 112 62.558 5.112 -3.514 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.954 4.138 -4.634 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.033 5.280 -3.441 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.813 3.169 -4.938 1.00 0.46 C ATOM 0 H ILE A 112 65.165 6.063 -3.135 1.00 0.36 H new ATOM 0 HA ILE A 112 62.748 6.916 -4.715 1.00 0.32 H new ATOM 0 HB ILE A 112 62.905 4.721 -2.558 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.212 4.697 -5.534 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.843 3.580 -4.339 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.571 4.318 -3.217 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.783 5.994 -2.657 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.661 5.647 -4.398 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.116 2.489 -5.734 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.574 2.596 -4.042 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.934 3.730 -5.255 1.00 0.46 H new ATOM 429 N ASP A 113 62.091 8.393 -2.871 1.00 0.36 N ATOM 430 CA ASP A 113 61.818 9.383 -1.789 1.00 0.44 C ATOM 431 C ASP A 113 60.515 9.023 -1.069 1.00 0.44 C ATOM 432 O ASP A 113 59.817 8.109 -1.455 1.00 0.60 O ATOM 433 CB ASP A 113 61.690 10.732 -2.501 1.00 0.56 C ATOM 434 CG ASP A 113 60.486 10.707 -3.444 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.372 10.697 -2.949 1.00 1.53 O ATOM 436 OD2 ASP A 113 60.699 10.698 -4.645 1.00 1.58 O ATOM 0 H ASP A 113 61.559 8.530 -3.730 1.00 0.36 H new ATOM 0 HA ASP A 113 62.605 9.401 -1.035 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.573 11.531 -1.768 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.599 10.945 -3.063 1.00 0.56 H new ATOM 441 N LEU A 114 60.183 9.732 -0.025 1.00 0.47 N ATOM 442 CA LEU A 114 58.927 9.422 0.717 1.00 0.47 C ATOM 443 C LEU A 114 57.724 9.468 -0.230 1.00 0.50 C ATOM 444 O LEU A 114 56.841 8.635 -0.170 1.00 0.52 O ATOM 445 CB LEU A 114 58.812 10.515 1.780 1.00 0.57 C ATOM 446 CG LEU A 114 57.857 10.056 2.884 1.00 0.68 C ATOM 447 CD1 LEU A 114 57.937 11.025 4.063 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.425 10.030 2.343 1.00 1.57 C ATOM 0 H LEU A 114 60.726 10.512 0.346 1.00 0.47 H new ATOM 0 HA LEU A 114 58.946 8.425 1.157 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.794 10.732 2.201 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.447 11.438 1.330 1.00 0.57 H new ATOM 0 HG LEU A 114 58.139 9.056 3.215 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.257 10.698 4.849 1.00 1.36 H new ATOM 0 HD12 LEU A 114 58.956 11.044 4.450 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.655 12.025 3.732 1.00 1.36 H new ATOM 0 HD21 LEU A 114 55.745 9.703 3.129 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.143 11.029 2.012 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.366 9.339 1.502 1.00 1.57 H new ATOM 460 N GLU A 115 57.680 10.439 -1.099 1.00 0.56 N ATOM 461 CA GLU A 115 56.533 10.545 -2.049 1.00 0.64 C ATOM 462 C GLU A 115 56.406 9.266 -2.884 1.00 0.56 C ATOM 463 O GLU A 115 55.333 8.911 -3.330 1.00 0.61 O ATOM 464 CB GLU A 115 56.876 11.735 -2.945 1.00 0.77 C ATOM 465 CG GLU A 115 55.655 12.648 -3.075 1.00 1.54 C ATOM 466 CD GLU A 115 54.762 12.148 -4.211 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.149 11.194 -4.867 1.00 2.67 O ATOM 468 OE2 GLU A 115 53.706 12.727 -4.407 1.00 2.45 O ATOM 0 H GLU A 115 58.389 11.166 -1.194 1.00 0.56 H new ATOM 0 HA GLU A 115 55.583 10.678 -1.532 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.715 12.290 -2.525 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.187 11.384 -3.929 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.097 12.662 -2.139 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.973 13.672 -3.272 1.00 1.54 H new ATOM 475 N GLU A 116 57.491 8.575 -3.104 1.00 0.49 N ATOM 476 CA GLU A 116 57.426 7.325 -3.917 1.00 0.45 C ATOM 477 C GLU A 116 57.047 6.131 -3.036 1.00 0.43 C ATOM 478 O GLU A 116 56.223 5.316 -3.401 1.00 0.51 O ATOM 479 CB GLU A 116 58.835 7.147 -4.484 1.00 0.42 C ATOM 480 CG GLU A 116 59.189 8.350 -5.361 1.00 0.94 C ATOM 481 CD GLU A 116 60.589 8.160 -5.947 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.046 7.030 -5.987 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.182 9.150 -6.344 1.00 1.43 O ATOM 0 H GLU A 116 58.418 8.820 -2.757 1.00 0.49 H new ATOM 0 HA GLU A 116 56.673 7.386 -4.703 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.556 7.051 -3.672 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.890 6.229 -5.069 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.459 8.456 -6.163 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.151 9.266 -4.772 1.00 0.94 H new ATOM 490 N LEU A 117 57.642 6.020 -1.880 1.00 0.37 N ATOM 491 CA LEU A 117 57.315 4.880 -0.979 1.00 0.42 C ATOM 492 C LEU A 117 55.822 4.880 -0.654 1.00 0.50 C ATOM 493 O LEU A 117 55.195 3.843 -0.569 1.00 0.58 O ATOM 494 CB LEU A 117 58.138 5.126 0.284 1.00 0.43 C ATOM 495 CG LEU A 117 58.199 3.842 1.111 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.558 3.170 0.911 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.012 4.180 2.591 1.00 1.53 C ATOM 0 H LEU A 117 58.341 6.670 -1.521 1.00 0.37 H new ATOM 0 HA LEU A 117 57.543 3.915 -1.432 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.145 5.448 0.018 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.692 5.929 0.871 1.00 0.43 H new ATOM 0 HG LEU A 117 57.408 3.165 0.789 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.601 2.254 1.501 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.693 2.929 -0.143 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.349 3.847 1.233 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.055 3.265 3.182 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.803 4.857 2.912 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.044 4.659 2.735 1.00 1.53 H new ATOM 509 N LYS A 118 55.248 6.037 -0.471 1.00 0.52 N ATOM 510 CA LYS A 118 53.795 6.100 -0.152 1.00 0.63 C ATOM 511 C LYS A 118 52.998 5.322 -1.200 1.00 0.71 C ATOM 512 O LYS A 118 52.030 4.655 -0.893 1.00 0.83 O ATOM 513 CB LYS A 118 53.440 7.587 -0.200 1.00 0.68 C ATOM 514 CG LYS A 118 51.945 7.761 0.071 1.00 1.05 C ATOM 515 CD LYS A 118 51.742 8.833 1.144 1.00 1.33 C ATOM 516 CE LYS A 118 52.461 10.116 0.727 1.00 1.49 C ATOM 517 NZ LYS A 118 51.861 10.482 -0.586 1.00 1.82 N ATOM 0 H LYS A 118 55.721 6.939 -0.528 1.00 0.52 H new ATOM 0 HA LYS A 118 53.563 5.661 0.818 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.021 8.135 0.541 1.00 0.68 H new ATOM 0 HB3 LYS A 118 53.695 8.002 -1.175 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.429 8.047 -0.846 1.00 1.05 H new ATOM 0 HG3 LYS A 118 51.512 6.816 0.399 1.00 1.05 H new ATOM 0 HD2 LYS A 118 50.678 9.028 1.281 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.128 8.482 2.101 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.315 10.907 1.462 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.536 9.956 0.639 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.975 11.503 -0.747 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.339 9.956 -1.345 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 50.849 10.243 -0.584 1.00 1.82 H new ATOM 531 N ILE A 119 53.402 5.402 -2.439 1.00 0.72 N ATOM 532 CA ILE A 119 52.673 4.667 -3.510 1.00 0.84 C ATOM 533 C ILE A 119 52.930 3.163 -3.386 1.00 0.86 C ATOM 534 O ILE A 119 52.058 2.353 -3.631 1.00 0.96 O ATOM 535 CB ILE A 119 53.249 5.208 -4.816 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.653 6.588 -5.091 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.895 4.261 -5.964 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.396 7.239 -6.254 1.00 1.08 C ATOM 0 H ILE A 119 54.206 5.945 -2.755 1.00 0.72 H new ATOM 0 HA ILE A 119 51.594 4.807 -3.452 1.00 0.84 H new ATOM 0 HB ILE A 119 54.333 5.284 -4.735 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.593 6.498 -5.327 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.729 7.213 -4.201 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.307 4.649 -6.896 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.314 3.275 -5.765 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.811 4.184 -6.051 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.972 8.224 -6.451 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.451 7.343 -5.999 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.297 6.616 -7.143 1.00 1.08 H new ATOM 550 N MET A 120 54.118 2.785 -3.003 1.00 0.82 N ATOM 551 CA MET A 120 54.427 1.333 -2.862 1.00 0.92 C ATOM 552 C MET A 120 53.477 0.695 -1.845 1.00 0.92 C ATOM 553 O MET A 120 52.917 -0.358 -2.079 1.00 1.01 O ATOM 554 CB MET A 120 55.870 1.281 -2.359 1.00 0.96 C ATOM 555 CG MET A 120 56.180 -0.126 -1.844 1.00 1.50 C ATOM 556 SD MET A 120 57.802 -0.130 -1.041 1.00 2.13 S ATOM 557 CE MET A 120 58.422 -1.655 -1.792 1.00 2.73 C ATOM 0 H MET A 120 54.888 3.417 -2.782 1.00 0.82 H new ATOM 0 HA MET A 120 54.306 0.788 -3.798 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.557 1.545 -3.163 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.016 2.011 -1.563 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.412 -0.444 -1.139 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.169 -0.838 -2.669 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.184 -2.094 -1.148 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.600 -2.360 -1.915 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.856 -1.430 -2.766 1.00 2.73 H new ATOM 567 N LEU A 121 53.284 1.329 -0.720 1.00 0.88 N ATOM 568 CA LEU A 121 52.362 0.762 0.306 1.00 0.96 C ATOM 569 C LEU A 121 50.936 0.746 -0.240 1.00 0.99 C ATOM 570 O LEU A 121 50.168 -0.157 0.024 1.00 1.12 O ATOM 571 CB LEU A 121 52.450 1.708 1.500 1.00 0.98 C ATOM 572 CG LEU A 121 53.915 2.021 1.823 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.006 2.622 3.228 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.742 0.735 1.769 1.00 1.81 C ATOM 0 H LEU A 121 53.724 2.214 -0.467 1.00 0.88 H new ATOM 0 HA LEU A 121 52.628 -0.260 0.577 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.913 2.631 1.282 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.968 1.256 2.367 1.00 0.98 H new ATOM 0 HG LEU A 121 54.302 2.731 1.092 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.047 2.846 3.461 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.419 3.540 3.270 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.617 1.909 3.955 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.783 0.962 1.999 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.356 0.023 2.499 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.677 0.302 0.771 1.00 1.81 H new ATOM 586 N GLN A 122 50.575 1.742 -1.002 1.00 0.95 N ATOM 587 CA GLN A 122 49.202 1.778 -1.571 1.00 1.05 C ATOM 588 C GLN A 122 49.029 0.603 -2.528 1.00 1.12 C ATOM 589 O GLN A 122 47.956 0.051 -2.669 1.00 1.24 O ATOM 590 CB GLN A 122 49.111 3.106 -2.320 1.00 1.07 C ATOM 591 CG GLN A 122 48.438 4.145 -1.421 1.00 1.49 C ATOM 592 CD GLN A 122 49.322 5.389 -1.328 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.866 5.685 -0.282 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.490 6.136 -2.384 1.00 1.52 N ATOM 0 H GLN A 122 51.172 2.530 -1.254 1.00 0.95 H new ATOM 0 HA GLN A 122 48.425 1.700 -0.810 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.107 3.445 -2.606 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.541 2.980 -3.240 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.460 4.410 -1.823 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.272 3.729 -0.427 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.034 5.888 -3.262 1.00 1.52 H new ATOM 0 HE22 GLN A 122 50.078 6.968 -2.332 1.00 1.52 H new ATOM 603 N ALA A 123 50.090 0.203 -3.172 1.00 1.11 N ATOM 604 CA ALA A 123 50.002 -0.951 -4.104 1.00 1.26 C ATOM 605 C ALA A 123 49.740 -2.221 -3.296 1.00 1.39 C ATOM 606 O ALA A 123 49.256 -3.211 -3.809 1.00 1.55 O ATOM 607 CB ALA A 123 51.366 -1.017 -4.790 1.00 1.31 C ATOM 0 H ALA A 123 51.014 0.627 -3.092 1.00 1.11 H new ATOM 0 HA ALA A 123 49.198 -0.850 -4.833 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.378 -1.848 -5.496 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.550 -0.085 -5.324 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.143 -1.166 -4.041 1.00 1.31 H new ATOM 682 N THR A 129 47.951 6.403 6.488 1.00 1.18 N ATOM 683 CA THR A 129 48.177 7.682 5.755 1.00 1.21 C ATOM 684 C THR A 129 49.655 8.077 5.825 1.00 1.10 C ATOM 685 O THR A 129 50.515 7.257 6.081 1.00 1.04 O ATOM 686 CB THR A 129 47.312 8.714 6.480 1.00 1.37 C ATOM 687 OG1 THR A 129 46.144 8.081 6.984 1.00 1.63 O ATOM 688 CG2 THR A 129 46.915 9.826 5.508 1.00 1.63 C ATOM 0 HA THR A 129 47.918 7.604 4.699 1.00 1.21 H new ATOM 0 HB THR A 129 47.877 9.145 7.307 1.00 1.37 H new ATOM 0 HG1 THR A 129 46.261 7.108 6.956 1.00 1.63 H new ATOM 0 HG21 THR A 129 46.299 10.560 6.027 1.00 1.63 H new ATOM 0 HG22 THR A 129 47.812 10.312 5.125 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.351 9.400 4.679 1.00 1.63 H new ATOM 696 N GLU A 130 49.955 9.326 5.602 1.00 1.13 N ATOM 697 CA GLU A 130 51.377 9.772 5.657 1.00 1.09 C ATOM 698 C GLU A 130 51.896 9.707 7.096 1.00 1.03 C ATOM 699 O GLU A 130 53.046 9.398 7.337 1.00 0.98 O ATOM 700 CB GLU A 130 51.357 11.218 5.161 1.00 1.23 C ATOM 701 CG GLU A 130 51.384 11.235 3.631 1.00 1.68 C ATOM 702 CD GLU A 130 50.021 11.682 3.101 1.00 2.20 C ATOM 703 OE1 GLU A 130 49.027 11.117 3.528 1.00 2.66 O ATOM 704 OE2 GLU A 130 49.994 12.582 2.278 1.00 2.77 O ATOM 0 H GLU A 130 49.278 10.057 5.384 1.00 1.13 H new ATOM 0 HA GLU A 130 52.031 9.142 5.054 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.464 11.726 5.525 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.216 11.761 5.556 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.163 11.911 3.278 1.00 1.68 H new ATOM 0 HG3 GLU A 130 51.627 10.243 3.250 1.00 1.68 H new ATOM 711 N ASP A 131 51.058 9.994 8.052 1.00 1.08 N ATOM 712 CA ASP A 131 51.505 9.949 9.474 1.00 1.10 C ATOM 713 C ASP A 131 52.261 8.646 9.749 1.00 0.95 C ATOM 714 O ASP A 131 53.341 8.649 10.306 1.00 0.88 O ATOM 715 CB ASP A 131 50.218 10.006 10.296 1.00 1.27 C ATOM 716 CG ASP A 131 50.562 10.223 11.771 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.505 9.606 12.235 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.875 11.004 12.409 1.00 2.09 O ATOM 0 H ASP A 131 50.083 10.258 7.912 1.00 1.08 H new ATOM 0 HA ASP A 131 52.182 10.767 9.720 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.581 10.815 9.938 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.656 9.080 10.175 1.00 1.27 H new ATOM 723 N ASP A 132 51.701 7.533 9.360 1.00 0.96 N ATOM 724 CA ASP A 132 52.387 6.231 9.599 1.00 0.88 C ATOM 725 C ASP A 132 53.574 6.076 8.645 1.00 0.76 C ATOM 726 O ASP A 132 54.530 5.384 8.934 1.00 0.72 O ATOM 727 CB ASP A 132 51.326 5.167 9.313 1.00 0.99 C ATOM 728 CG ASP A 132 50.748 4.657 10.634 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.490 5.476 11.501 1.00 1.70 O ATOM 730 OD2 ASP A 132 50.574 3.456 10.757 1.00 1.95 O ATOM 0 H ASP A 132 50.799 7.469 8.888 1.00 0.96 H new ATOM 0 HA ASP A 132 52.782 6.151 10.612 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.533 5.586 8.694 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.765 4.341 8.753 1.00 0.99 H new ATOM 735 N ILE A 133 53.522 6.719 7.510 1.00 0.78 N ATOM 736 CA ILE A 133 54.648 6.611 6.539 1.00 0.73 C ATOM 737 C ILE A 133 55.733 7.640 6.875 1.00 0.66 C ATOM 738 O ILE A 133 56.780 7.675 6.260 1.00 0.63 O ATOM 739 CB ILE A 133 54.025 6.912 5.176 1.00 0.84 C ATOM 740 CG1 ILE A 133 53.006 5.825 4.829 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.121 6.942 4.110 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.152 6.283 3.645 1.00 0.96 C ATOM 0 H ILE A 133 52.749 7.314 7.213 1.00 0.78 H new ATOM 0 HA ILE A 133 55.122 5.630 6.561 1.00 0.73 H new ATOM 0 HB ILE A 133 53.525 7.880 5.211 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.520 4.896 4.582 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.371 5.619 5.691 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.677 7.157 3.138 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.847 7.717 4.356 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.621 5.974 4.075 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.426 5.508 3.398 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.627 7.201 3.909 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.794 6.467 2.783 1.00 0.96 H new ATOM 754 N GLU A 134 55.489 8.477 7.846 1.00 0.73 N ATOM 755 CA GLU A 134 56.506 9.502 8.219 1.00 0.77 C ATOM 756 C GLU A 134 57.586 8.880 9.107 1.00 0.70 C ATOM 757 O GLU A 134 58.755 8.891 8.779 1.00 0.68 O ATOM 758 CB GLU A 134 55.729 10.570 8.990 1.00 0.96 C ATOM 759 CG GLU A 134 54.769 11.289 8.040 1.00 0.95 C ATOM 760 CD GLU A 134 55.285 12.702 7.767 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.092 13.179 8.549 1.00 2.07 O ATOM 762 OE2 GLU A 134 54.866 13.284 6.780 1.00 2.27 O ATOM 0 H GLU A 134 54.631 8.496 8.397 1.00 0.73 H new ATOM 0 HA GLU A 134 57.012 9.915 7.347 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.173 10.111 9.807 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.419 11.286 9.437 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.683 10.735 7.105 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.772 11.333 8.478 1.00 0.95 H new ATOM 769 N GLU A 135 57.204 8.334 10.229 1.00 0.74 N ATOM 770 CA GLU A 135 58.211 7.712 11.134 1.00 0.76 C ATOM 771 C GLU A 135 58.783 6.443 10.496 1.00 0.66 C ATOM 772 O GLU A 135 59.897 6.044 10.772 1.00 0.74 O ATOM 773 CB GLU A 135 57.442 7.371 12.410 1.00 0.88 C ATOM 774 CG GLU A 135 58.339 7.613 13.626 1.00 1.20 C ATOM 775 CD GLU A 135 58.078 9.013 14.183 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.475 9.806 13.477 1.00 1.95 O ATOM 777 OE2 GLU A 135 58.483 9.269 15.304 1.00 2.16 O ATOM 0 H GLU A 135 56.239 8.292 10.558 1.00 0.74 H new ATOM 0 HA GLU A 135 59.053 8.375 11.332 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.543 7.983 12.480 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.118 6.331 12.385 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.141 6.863 14.392 1.00 1.20 H new ATOM 0 HG3 GLU A 135 59.387 7.512 13.344 1.00 1.20 H new ATOM 784 N LEU A 136 58.029 5.808 9.641 1.00 0.62 N ATOM 785 CA LEU A 136 58.530 4.567 8.986 1.00 0.66 C ATOM 786 C LEU A 136 59.680 4.901 8.031 1.00 0.61 C ATOM 787 O LEU A 136 60.784 4.416 8.179 1.00 0.70 O ATOM 788 CB LEU A 136 57.330 4.016 8.214 1.00 0.77 C ATOM 789 CG LEU A 136 56.629 2.947 9.055 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.524 1.711 9.160 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.358 3.499 10.457 1.00 1.38 C ATOM 0 H LEU A 136 57.089 6.095 9.368 1.00 0.62 H new ATOM 0 HA LEU A 136 58.917 3.845 9.706 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.635 4.822 7.978 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.658 3.590 7.266 1.00 0.77 H new ATOM 0 HG LEU A 136 55.686 2.674 8.582 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.024 0.950 9.759 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.719 1.317 8.162 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.467 1.984 9.633 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.859 2.738 11.057 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.302 3.772 10.929 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.720 4.380 10.384 1.00 1.38 H new ATOM 803 N MET A 137 59.431 5.730 7.052 1.00 0.55 N ATOM 804 CA MET A 137 60.510 6.095 6.092 1.00 0.59 C ATOM 805 C MET A 137 61.679 6.751 6.835 1.00 0.65 C ATOM 806 O MET A 137 62.831 6.494 6.548 1.00 0.81 O ATOM 807 CB MET A 137 59.856 7.085 5.125 1.00 0.60 C ATOM 808 CG MET A 137 60.936 7.881 4.387 1.00 0.96 C ATOM 809 SD MET A 137 62.160 6.742 3.694 1.00 1.23 S ATOM 810 CE MET A 137 61.505 6.703 2.007 1.00 1.35 C ATOM 0 H MET A 137 58.527 6.169 6.877 1.00 0.55 H new ATOM 0 HA MET A 137 60.916 5.228 5.572 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.233 6.550 4.409 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.202 7.763 5.672 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.485 8.475 3.592 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.419 8.579 5.071 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.331 6.710 1.296 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.913 5.798 1.867 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.876 7.577 1.841 1.00 1.35 H new ATOM 820 N LYS A 138 61.391 7.594 7.788 1.00 0.62 N ATOM 821 CA LYS A 138 62.486 8.263 8.548 1.00 0.79 C ATOM 822 C LYS A 138 63.447 7.216 9.121 1.00 0.86 C ATOM 823 O LYS A 138 64.650 7.383 9.096 1.00 1.16 O ATOM 824 CB LYS A 138 61.782 9.020 9.673 1.00 0.87 C ATOM 825 CG LYS A 138 62.772 9.971 10.348 1.00 1.55 C ATOM 826 CD LYS A 138 62.024 10.879 11.327 1.00 2.07 C ATOM 827 CE LYS A 138 62.138 10.307 12.742 1.00 2.85 C ATOM 828 NZ LYS A 138 62.139 11.498 13.638 1.00 3.36 N ATOM 0 H LYS A 138 60.446 7.849 8.074 1.00 0.62 H new ATOM 0 HA LYS A 138 63.079 8.928 7.920 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.937 9.581 9.274 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.382 8.317 10.403 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.537 9.401 10.876 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.284 10.572 9.597 1.00 1.55 H new ATOM 0 HD2 LYS A 138 62.440 11.886 11.296 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.976 10.958 11.038 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.304 9.643 12.968 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.051 9.723 12.860 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.215 11.188 14.628 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 62.948 12.108 13.404 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.255 12.030 13.509 1.00 3.36 H new ATOM 842 N ASP A 139 62.923 6.138 9.639 1.00 0.71 N ATOM 843 CA ASP A 139 63.803 5.081 10.214 1.00 0.85 C ATOM 844 C ASP A 139 64.507 4.308 9.094 1.00 0.85 C ATOM 845 O ASP A 139 65.638 3.885 9.235 1.00 1.02 O ATOM 846 CB ASP A 139 62.858 4.160 10.987 1.00 0.97 C ATOM 847 CG ASP A 139 63.450 3.858 12.365 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.663 3.772 12.461 1.00 2.33 O ATOM 849 OD2 ASP A 139 62.681 3.717 13.301 1.00 1.80 O ATOM 0 H ASP A 139 61.923 5.944 9.689 1.00 0.71 H new ATOM 0 HA ASP A 139 64.584 5.496 10.851 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.881 4.632 11.095 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.705 3.233 10.435 1.00 0.97 H new ATOM 854 N GLY A 140 63.847 4.120 7.985 1.00 0.81 N ATOM 855 CA GLY A 140 64.476 3.372 6.860 1.00 0.86 C ATOM 856 C GLY A 140 65.750 4.090 6.412 1.00 0.77 C ATOM 857 O GLY A 140 66.753 3.471 6.118 1.00 0.86 O ATOM 0 H GLY A 140 62.899 4.452 7.809 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.711 2.355 7.173 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.778 3.295 6.026 1.00 0.86 H new ATOM 861 N ASP A 141 65.719 5.394 6.357 1.00 0.70 N ATOM 862 CA ASP A 141 66.930 6.150 5.926 1.00 0.66 C ATOM 863 C ASP A 141 68.084 5.906 6.902 1.00 0.74 C ATOM 864 O ASP A 141 68.226 6.593 7.894 1.00 0.87 O ATOM 865 CB ASP A 141 66.511 7.620 5.950 1.00 0.66 C ATOM 866 CG ASP A 141 66.975 8.304 4.662 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.893 7.795 4.040 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.403 9.327 4.319 1.00 0.83 O ATOM 0 H ASP A 141 64.909 5.968 6.591 1.00 0.70 H new ATOM 0 HA ASP A 141 67.278 5.841 4.940 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.428 7.699 6.047 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.946 8.119 6.816 1.00 0.66 H new ATOM 873 N LYS A 142 68.912 4.934 6.629 1.00 0.75 N ATOM 874 CA LYS A 142 70.057 4.653 7.540 1.00 0.87 C ATOM 875 C LYS A 142 70.990 5.865 7.597 1.00 0.89 C ATOM 876 O LYS A 142 71.817 5.986 8.478 1.00 1.05 O ATOM 877 CB LYS A 142 70.774 3.453 6.921 1.00 0.89 C ATOM 878 CG LYS A 142 71.376 2.590 8.031 1.00 1.24 C ATOM 879 CD LYS A 142 72.645 1.906 7.517 1.00 1.26 C ATOM 880 CE LYS A 142 72.264 0.774 6.562 1.00 1.55 C ATOM 881 NZ LYS A 142 73.300 0.809 5.491 1.00 1.99 N ATOM 0 H LYS A 142 68.845 4.323 5.815 1.00 0.75 H new ATOM 0 HA LYS A 142 69.734 4.449 8.561 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.074 2.865 6.327 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.558 3.794 6.245 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.609 3.207 8.899 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.653 1.842 8.356 1.00 1.24 H new ATOM 0 HD2 LYS A 142 73.279 2.630 7.005 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.222 1.512 8.353 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.257 -0.189 7.073 1.00 1.55 H new ATOM 0 HE3 LYS A 142 71.266 0.924 6.151 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.106 0.060 4.796 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.278 1.735 5.017 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.239 0.657 5.911 1.00 1.99 H new ATOM 895 N ASN A 143 70.860 6.766 6.660 1.00 0.85 N ATOM 896 CA ASN A 143 71.738 7.972 6.657 1.00 1.05 C ATOM 897 C ASN A 143 70.889 9.242 6.562 1.00 1.07 C ATOM 898 O ASN A 143 71.394 10.345 6.629 1.00 1.56 O ATOM 899 CB ASN A 143 72.615 7.820 5.414 1.00 1.08 C ATOM 900 CG ASN A 143 71.731 7.793 4.167 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.616 8.274 4.188 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.185 7.246 3.072 1.00 1.48 N ATOM 0 H ASN A 143 70.184 6.719 5.897 1.00 0.85 H new ATOM 0 HA ASN A 143 72.332 8.053 7.567 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.324 8.646 5.353 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.200 6.902 5.478 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.603 7.223 2.234 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.121 6.842 3.054 1.00 1.48 H new ATOM 909 N ASN A 144 69.602 9.095 6.405 1.00 0.78 N ATOM 910 CA ASN A 144 68.720 10.293 6.306 1.00 0.82 C ATOM 911 C ASN A 144 69.206 11.219 5.186 1.00 0.82 C ATOM 912 O ASN A 144 69.890 12.193 5.427 1.00 0.92 O ATOM 913 CB ASN A 144 68.837 10.982 7.664 1.00 0.95 C ATOM 914 CG ASN A 144 67.752 10.450 8.602 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.838 11.165 8.960 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.815 9.214 9.017 1.00 1.93 N ATOM 0 H ASN A 144 69.123 8.197 6.341 1.00 0.78 H new ATOM 0 HA ASN A 144 67.689 10.029 6.071 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.823 10.801 8.092 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.734 12.061 7.546 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.096 8.849 9.642 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.583 8.614 8.716 1.00 1.93 H new ATOM 923 N ASP A 145 68.858 10.920 3.964 1.00 0.75 N ATOM 924 CA ASP A 145 69.298 11.783 2.830 1.00 0.78 C ATOM 925 C ASP A 145 68.097 12.178 1.968 1.00 0.74 C ATOM 926 O ASP A 145 68.238 12.833 0.954 1.00 0.81 O ATOM 927 CB ASP A 145 70.269 10.918 2.026 1.00 0.76 C ATOM 928 CG ASP A 145 71.429 10.484 2.923 1.00 1.12 C ATOM 929 OD1 ASP A 145 71.504 10.973 4.039 1.00 1.85 O ATOM 930 OD2 ASP A 145 72.222 9.671 2.480 1.00 1.72 O ATOM 0 H ASP A 145 68.288 10.116 3.702 1.00 0.75 H new ATOM 0 HA ASP A 145 69.762 12.708 3.173 1.00 0.78 H new ATOM 0 HB2 ASP A 145 69.752 10.043 1.633 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.647 11.477 1.170 1.00 0.76 H new ATOM 935 N GLY A 146 66.918 11.783 2.360 1.00 0.69 N ATOM 936 CA GLY A 146 65.713 12.135 1.559 1.00 0.70 C ATOM 937 C GLY A 146 65.440 11.031 0.538 1.00 0.58 C ATOM 938 O GLY A 146 64.318 10.822 0.118 1.00 0.62 O ATOM 0 H GLY A 146 66.737 11.232 3.199 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.851 12.260 2.215 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.867 13.086 1.050 1.00 0.70 H new ATOM 942 N ARG A 147 66.457 10.320 0.132 1.00 0.54 N ATOM 943 CA ARG A 147 66.252 9.230 -0.865 1.00 0.49 C ATOM 944 C ARG A 147 66.704 7.889 -0.282 1.00 0.44 C ATOM 945 O ARG A 147 67.475 7.834 0.656 1.00 0.56 O ATOM 946 CB ARG A 147 67.126 9.609 -2.062 1.00 0.57 C ATOM 947 CG ARG A 147 66.848 11.057 -2.469 1.00 0.78 C ATOM 948 CD ARG A 147 65.937 11.078 -3.698 1.00 0.73 C ATOM 949 NE ARG A 147 66.074 12.452 -4.255 1.00 1.07 N ATOM 950 CZ ARG A 147 65.475 12.766 -5.371 1.00 1.60 C ATOM 951 NH1 ARG A 147 66.069 12.547 -6.512 1.00 2.32 N ATOM 952 NH2 ARG A 147 64.285 13.301 -5.345 1.00 2.22 N ATOM 0 H ARG A 147 67.419 10.446 0.447 1.00 0.54 H new ATOM 0 HA ARG A 147 65.204 9.123 -1.144 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.179 9.489 -1.807 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.922 8.941 -2.899 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.377 11.593 -1.645 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.784 11.570 -2.689 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.239 10.325 -4.426 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.903 10.863 -3.427 1.00 0.73 H new ATOM 0 HE ARG A 147 66.636 13.148 -3.764 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.000 12.131 -6.531 1.00 2.32 H new ATOM 0 HH12 ARG A 147 65.602 12.792 -7.385 1.00 2.32 H new ATOM 0 HH21 ARG A 147 63.823 13.474 -4.452 1.00 2.22 H new ATOM 0 HH22 ARG A 147 63.817 13.546 -6.217 1.00 2.22 H new ATOM 966 N ILE A 148 66.231 6.808 -0.834 1.00 0.35 N ATOM 967 CA ILE A 148 66.632 5.467 -0.323 1.00 0.36 C ATOM 968 C ILE A 148 67.222 4.636 -1.469 1.00 0.40 C ATOM 969 O ILE A 148 66.827 4.768 -2.610 1.00 0.41 O ATOM 970 CB ILE A 148 65.332 4.848 0.211 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.145 5.254 1.675 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.390 3.320 0.118 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.926 4.534 2.256 1.00 0.40 C ATOM 0 H ILE A 148 65.581 6.795 -1.620 1.00 0.35 H new ATOM 0 HA ILE A 148 67.396 5.514 0.453 1.00 0.36 H new ATOM 0 HB ILE A 148 64.497 5.209 -0.389 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.037 5.002 2.249 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.012 6.333 1.749 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.461 2.897 0.500 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.523 3.024 -0.923 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.228 2.951 0.710 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.795 4.824 3.298 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.037 4.808 1.688 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.077 3.456 2.196 1.00 0.40 H new ATOM 985 N ASP A 149 68.167 3.786 -1.174 1.00 0.47 N ATOM 986 CA ASP A 149 68.779 2.955 -2.251 1.00 0.55 C ATOM 987 C ASP A 149 68.685 1.468 -1.895 1.00 0.58 C ATOM 988 O ASP A 149 67.940 1.076 -1.020 1.00 0.54 O ATOM 989 CB ASP A 149 70.239 3.407 -2.323 1.00 0.65 C ATOM 990 CG ASP A 149 70.879 3.328 -0.935 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.515 4.130 -0.089 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.727 2.473 -0.743 1.00 2.00 O ATOM 0 H ASP A 149 68.541 3.631 -0.238 1.00 0.47 H new ATOM 0 HA ASP A 149 68.271 3.080 -3.207 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.789 2.778 -3.023 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.294 4.428 -2.701 1.00 0.65 H new ATOM 997 N TYR A 150 69.432 0.640 -2.572 1.00 0.67 N ATOM 998 CA TYR A 150 69.382 -0.823 -2.279 1.00 0.73 C ATOM 999 C TYR A 150 69.953 -1.116 -0.887 1.00 0.75 C ATOM 1000 O TYR A 150 69.904 -2.230 -0.407 1.00 0.76 O ATOM 1001 CB TYR A 150 70.249 -1.469 -3.360 1.00 0.84 C ATOM 1002 CG TYR A 150 70.147 -2.972 -3.262 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.890 -3.586 -3.194 1.00 1.74 C ATOM 1004 CD2 TYR A 150 71.309 -3.752 -3.240 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.797 -4.980 -3.103 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.216 -5.146 -3.148 1.00 2.06 C ATOM 1007 CZ TYR A 150 69.961 -5.760 -3.081 1.00 2.02 C ATOM 1008 OH TYR A 150 69.868 -7.134 -2.991 1.00 2.63 O ATOM 0 H TYR A 150 70.075 0.912 -3.316 1.00 0.67 H new ATOM 0 HA TYR A 150 68.362 -1.207 -2.284 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.926 -1.136 -4.346 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.287 -1.157 -3.243 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.993 -2.985 -3.212 1.00 1.74 H new ATOM 0 HD2 TYR A 150 72.278 -3.278 -3.294 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.828 -5.454 -3.050 1.00 2.14 H new ATOM 0 HE2 TYR A 150 72.113 -5.747 -3.129 1.00 2.06 H new ATOM 0 HH TYR A 150 70.767 -7.523 -2.989 1.00 2.63 H new ATOM 1018 N ASP A 151 70.495 -0.123 -0.236 1.00 0.78 N ATOM 1019 CA ASP A 151 71.069 -0.347 1.123 1.00 0.82 C ATOM 1020 C ASP A 151 70.089 0.126 2.202 1.00 0.74 C ATOM 1021 O ASP A 151 69.740 -0.611 3.102 1.00 0.76 O ATOM 1022 CB ASP A 151 72.346 0.494 1.153 1.00 0.87 C ATOM 1023 CG ASP A 151 73.142 0.257 -0.131 1.00 1.31 C ATOM 1024 OD1 ASP A 151 72.940 -0.777 -0.747 1.00 2.08 O ATOM 1025 OD2 ASP A 151 73.940 1.112 -0.476 1.00 1.67 O ATOM 0 H ASP A 151 70.566 0.833 -0.585 1.00 0.78 H new ATOM 0 HA ASP A 151 71.267 -1.401 1.318 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.096 1.551 1.249 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.949 0.229 2.022 1.00 0.87 H new ATOM 1030 N GLU A 152 69.645 1.350 2.120 1.00 0.67 N ATOM 1031 CA GLU A 152 68.691 1.866 3.143 1.00 0.61 C ATOM 1032 C GLU A 152 67.325 1.189 2.983 1.00 0.58 C ATOM 1033 O GLU A 152 66.574 1.056 3.928 1.00 0.58 O ATOM 1034 CB GLU A 152 68.586 3.368 2.867 1.00 0.59 C ATOM 1035 CG GLU A 152 69.988 3.982 2.843 1.00 0.76 C ATOM 1036 CD GLU A 152 69.877 5.504 2.736 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.748 6.143 3.768 1.00 1.39 O ATOM 1038 OE2 GLU A 152 69.924 6.005 1.625 1.00 1.20 O ATOM 0 H GLU A 152 69.901 2.015 1.390 1.00 0.67 H new ATOM 0 HA GLU A 152 69.026 1.663 4.160 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.086 3.539 1.914 1.00 0.59 H new ATOM 0 HB3 GLU A 152 67.980 3.848 3.635 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.532 3.709 3.748 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.555 3.588 1.999 1.00 0.76 H new ATOM 1045 N PHE A 153 67.001 0.754 1.796 1.00 0.60 N ATOM 1046 CA PHE A 153 65.687 0.083 1.581 1.00 0.61 C ATOM 1047 C PHE A 153 65.726 -1.338 2.149 1.00 0.66 C ATOM 1048 O PHE A 153 64.710 -1.908 2.497 1.00 0.71 O ATOM 1049 CB PHE A 153 65.501 0.050 0.062 1.00 0.64 C ATOM 1050 CG PHE A 153 64.427 -0.948 -0.299 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.715 -2.317 -0.290 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.144 -0.504 -0.641 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.722 -3.244 -0.624 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.150 -1.431 -0.976 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.439 -2.801 -0.968 1.00 0.93 C ATOM 0 H PHE A 153 67.589 0.834 0.966 1.00 0.60 H new ATOM 0 HA PHE A 153 64.869 0.604 2.078 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.227 1.040 -0.302 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.439 -0.220 -0.423 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.705 -2.658 -0.025 1.00 1.18 H new ATOM 0 HD2 PHE A 153 62.921 0.553 -0.646 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.945 -4.301 -0.617 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.160 -1.089 -1.241 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.672 -3.516 -1.227 1.00 0.93 H new ATOM 1065 N LEU A 154 66.892 -1.915 2.243 1.00 0.72 N ATOM 1066 CA LEU A 154 66.999 -3.299 2.785 1.00 0.80 C ATOM 1067 C LEU A 154 66.843 -3.290 4.308 1.00 0.79 C ATOM 1068 O LEU A 154 66.145 -4.106 4.876 1.00 0.82 O ATOM 1069 CB LEU A 154 68.400 -3.767 2.395 1.00 0.92 C ATOM 1070 CG LEU A 154 68.295 -4.992 1.488 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.969 -4.694 0.148 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.991 -6.180 2.158 1.00 1.54 C ATOM 0 H LEU A 154 67.776 -1.488 1.968 1.00 0.72 H new ATOM 0 HA LEU A 154 66.222 -3.955 2.392 1.00 0.80 H new ATOM 0 HB2 LEU A 154 68.933 -2.966 1.882 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.975 -4.011 3.288 1.00 0.92 H new ATOM 0 HG LEU A 154 67.245 -5.232 1.319 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.894 -5.568 -0.499 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.475 -3.847 -0.328 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.019 -4.455 0.314 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.918 -7.056 1.513 1.00 1.54 H new ATOM 0 HD22 LEU A 154 70.041 -5.939 2.325 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.511 -6.392 3.113 1.00 1.54 H new ATOM 1084 N GLU A 155 67.493 -2.375 4.975 1.00 0.79 N ATOM 1085 CA GLU A 155 67.387 -2.318 6.461 1.00 0.82 C ATOM 1086 C GLU A 155 66.106 -1.589 6.879 1.00 0.81 C ATOM 1087 O GLU A 155 65.648 -1.713 7.998 1.00 0.90 O ATOM 1088 CB GLU A 155 68.620 -1.539 6.915 1.00 0.85 C ATOM 1089 CG GLU A 155 68.590 -1.373 8.435 1.00 0.95 C ATOM 1090 CD GLU A 155 69.675 -2.247 9.067 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.840 -1.981 8.819 1.00 2.27 O ATOM 1092 OE2 GLU A 155 69.324 -3.168 9.785 1.00 2.47 O ATOM 0 H GLU A 155 68.093 -1.665 4.555 1.00 0.79 H new ATOM 0 HA GLU A 155 67.343 -3.311 6.908 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.526 -2.065 6.614 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.643 -0.562 6.433 1.00 0.85 H new ATOM 0 HG2 GLU A 155 68.750 -0.328 8.700 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.611 -1.654 8.823 1.00 0.95 H new ATOM 1099 N PHE A 156 65.523 -0.831 5.991 1.00 0.75 N ATOM 1100 CA PHE A 156 64.272 -0.098 6.345 1.00 0.78 C ATOM 1101 C PHE A 156 63.130 -1.088 6.592 1.00 0.84 C ATOM 1102 O PHE A 156 62.504 -1.080 7.634 1.00 0.90 O ATOM 1103 CB PHE A 156 63.967 0.778 5.129 1.00 0.78 C ATOM 1104 CG PHE A 156 62.560 1.314 5.241 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.048 1.670 6.495 1.00 1.27 C ATOM 1106 CD2 PHE A 156 61.767 1.453 4.096 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.744 2.166 6.604 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.462 1.949 4.206 1.00 1.77 C ATOM 1109 CZ PHE A 156 59.951 2.305 5.459 1.00 1.10 C ATOM 0 H PHE A 156 65.857 -0.687 5.038 1.00 0.75 H new ATOM 0 HA PHE A 156 64.384 0.492 7.255 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.679 1.602 5.072 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.076 0.198 4.212 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.660 1.562 7.378 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.161 1.178 3.129 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.350 2.441 7.571 1.00 1.31 H new ATOM 0 HE2 PHE A 156 59.850 2.057 3.323 1.00 1.77 H new ATOM 0 HZ PHE A 156 58.944 2.687 5.543 1.00 1.10 H new ATOM 1119 N MET A 157 62.855 -1.938 5.644 1.00 0.86 N ATOM 1120 CA MET A 157 61.754 -2.930 5.822 1.00 0.95 C ATOM 1121 C MET A 157 62.110 -3.926 6.929 1.00 0.99 C ATOM 1122 O MET A 157 61.290 -4.269 7.757 1.00 1.12 O ATOM 1123 CB MET A 157 61.644 -3.641 4.473 1.00 0.99 C ATOM 1124 CG MET A 157 60.230 -3.464 3.913 1.00 1.28 C ATOM 1125 SD MET A 157 60.154 -4.147 2.239 1.00 1.48 S ATOM 1126 CE MET A 157 59.940 -2.577 1.361 1.00 1.12 C ATOM 0 H MET A 157 63.345 -1.991 4.751 1.00 0.86 H new ATOM 0 HA MET A 157 60.815 -2.459 6.113 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.376 -3.234 3.775 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.870 -4.701 4.590 1.00 0.99 H new ATOM 0 HG2 MET A 157 59.507 -3.967 4.556 1.00 1.28 H new ATOM 0 HG3 MET A 157 59.963 -2.407 3.899 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.253 -2.695 0.324 1.00 1.12 H new ATOM 0 HE2 MET A 157 58.891 -2.283 1.392 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.547 -1.808 1.838 1.00 1.12 H new ATOM 1136 N LYS A 158 63.330 -4.394 6.951 1.00 0.94 N ATOM 1137 CA LYS A 158 63.736 -5.366 8.008 1.00 1.02 C ATOM 1138 C LYS A 158 63.539 -4.750 9.395 1.00 1.05 C ATOM 1139 O LYS A 158 62.496 -4.885 10.003 1.00 1.20 O ATOM 1140 CB LYS A 158 65.217 -5.641 7.744 1.00 1.07 C ATOM 1141 CG LYS A 158 65.367 -6.396 6.422 1.00 1.26 C ATOM 1142 CD LYS A 158 64.947 -7.855 6.615 1.00 1.53 C ATOM 1143 CE LYS A 158 65.723 -8.742 5.639 1.00 1.45 C ATOM 1144 NZ LYS A 158 66.391 -9.762 6.494 1.00 2.07 N ATOM 0 H LYS A 158 64.061 -4.146 6.285 1.00 0.94 H new ATOM 0 HA LYS A 158 63.143 -6.280 7.981 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.771 -4.703 7.704 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.640 -6.227 8.560 1.00 1.07 H new ATOM 0 HG2 LYS A 158 64.752 -5.929 5.653 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.400 -6.347 6.078 1.00 1.26 H new ATOM 0 HD2 LYS A 158 65.141 -8.168 7.641 1.00 1.53 H new ATOM 0 HD3 LYS A 158 63.875 -7.962 6.447 1.00 1.53 H new ATOM 0 HE2 LYS A 158 65.056 -9.210 4.915 1.00 1.45 H new ATOM 0 HE3 LYS A 158 66.452 -8.162 5.073 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 66.944 -10.408 5.896 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 67.025 -9.288 7.169 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 65.672 -10.303 7.015 1.00 2.07 H new