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 -171:sc= -0.609 (180deg=-0.682) USER MOD Set 1.2: A 157 MET CE :methyl 161:sc= -0.272 (180deg=-1.21) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 103 MET CE :methyl 164:sc= 0 (180deg=-0.29) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.18! C(o=-5.2!,f=-6.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 133:sc= -0.0432 (180deg=-0.847) USER MOD Single : A 122 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 129 THR OG1 : rot 139:sc= 1.17 USER MOD Single : A 137 MET CE :methyl -116:sc= -0.849 (180deg=-2.74) 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= -3.32! C(o=-3.3!,f=-12!) USER MOD Single : A 144 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.00032) USER MOD Single : A 150 TYR OH : rot 30:sc= -0.79 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.426 -11.686 -3.027 1.00 1.38 N ATOM 156 CA GLU A 96 63.195 -11.088 -3.622 1.00 1.34 C ATOM 157 C GLU A 96 63.074 -9.617 -3.216 1.00 1.16 C ATOM 158 O GLU A 96 62.352 -8.852 -3.825 1.00 1.07 O ATOM 159 CB GLU A 96 62.039 -11.903 -3.041 1.00 1.51 C ATOM 160 CG GLU A 96 62.128 -13.345 -3.544 1.00 2.07 C ATOM 161 CD GLU A 96 60.736 -13.828 -3.956 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.134 -13.186 -4.801 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.296 -14.833 -3.421 1.00 2.60 O ATOM 0 HA GLU A 96 63.206 -11.116 -4.712 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.078 -11.883 -1.952 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.086 -11.462 -3.334 1.00 1.51 H new ATOM 0 HG2 GLU A 96 62.811 -13.404 -4.392 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.532 -13.990 -2.763 1.00 2.07 H new ATOM 170 N LEU A 97 63.776 -9.212 -2.193 1.00 1.14 N ATOM 171 CA LEU A 97 63.698 -7.790 -1.751 1.00 0.99 C ATOM 172 C LEU A 97 64.407 -6.885 -2.762 1.00 0.82 C ATOM 173 O LEU A 97 64.045 -5.739 -2.945 1.00 0.70 O ATOM 174 CB LEU A 97 64.415 -7.753 -0.401 1.00 1.03 C ATOM 175 CG LEU A 97 63.380 -7.770 0.726 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.050 -8.203 2.031 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.792 -6.368 0.897 1.00 1.71 C ATOM 0 H LEU A 97 64.400 -9.804 -1.644 1.00 1.14 H new ATOM 0 HA LEU A 97 62.670 -7.437 -1.674 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.083 -8.609 -0.308 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.032 -6.857 -0.329 1.00 1.03 H new ATOM 0 HG LEU A 97 62.584 -8.472 0.477 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.312 -8.215 2.833 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.470 -9.201 1.910 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.846 -7.502 2.281 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.054 -6.378 1.699 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.589 -5.667 1.145 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.313 -6.058 -0.032 1.00 1.71 H new ATOM 189 N SER A 98 65.412 -7.390 -3.424 1.00 0.87 N ATOM 190 CA SER A 98 66.141 -6.558 -4.425 1.00 0.78 C ATOM 191 C SER A 98 65.175 -6.076 -5.511 1.00 0.75 C ATOM 192 O SER A 98 65.065 -4.895 -5.777 1.00 0.74 O ATOM 193 CB SER A 98 67.195 -7.487 -5.021 1.00 0.93 C ATOM 194 OG SER A 98 66.576 -8.698 -5.431 1.00 1.41 O ATOM 0 H SER A 98 65.760 -8.343 -3.315 1.00 0.87 H new ATOM 0 HA SER A 98 66.588 -5.670 -3.978 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.680 -7.007 -5.871 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.972 -7.693 -4.285 1.00 0.93 H new ATOM 0 HG SER A 98 67.250 -9.296 -5.816 1.00 1.41 H new ATOM 200 N ASP A 99 64.473 -6.980 -6.135 1.00 0.80 N ATOM 201 CA ASP A 99 63.512 -6.573 -7.202 1.00 0.82 C ATOM 202 C ASP A 99 62.367 -5.761 -6.592 1.00 0.77 C ATOM 203 O ASP A 99 61.575 -5.161 -7.293 1.00 0.77 O ATOM 204 CB ASP A 99 62.988 -7.886 -7.784 1.00 0.93 C ATOM 205 CG ASP A 99 63.783 -8.240 -9.043 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.960 -7.924 -9.084 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.200 -8.822 -9.943 1.00 2.18 O ATOM 0 H ASP A 99 64.522 -7.983 -5.954 1.00 0.80 H new ATOM 0 HA ASP A 99 63.977 -5.948 -7.964 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.079 -8.684 -7.047 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.929 -7.793 -8.024 1.00 0.93 H new ATOM 212 N LEU A 100 62.274 -5.739 -5.291 1.00 0.77 N ATOM 213 CA LEU A 100 61.182 -4.967 -4.633 1.00 0.77 C ATOM 214 C LEU A 100 61.536 -3.477 -4.598 1.00 0.64 C ATOM 215 O LEU A 100 60.683 -2.629 -4.424 1.00 0.64 O ATOM 216 CB LEU A 100 61.097 -5.532 -3.215 1.00 0.85 C ATOM 217 CG LEU A 100 59.845 -6.402 -3.087 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.600 -5.527 -3.236 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.852 -7.469 -4.184 1.00 1.57 C ATOM 0 H LEU A 100 62.907 -6.223 -4.654 1.00 0.77 H new ATOM 0 HA LEU A 100 60.234 -5.056 -5.164 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.987 -6.121 -2.993 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.064 -4.719 -2.490 1.00 0.85 H new ATOM 0 HG LEU A 100 59.836 -6.885 -2.110 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.707 -6.146 -3.145 1.00 1.54 H new ATOM 0 HD12 LEU A 100 58.595 -4.766 -2.456 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.609 -5.045 -4.213 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.960 -8.089 -4.094 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.861 -6.986 -5.161 1.00 1.57 H new ATOM 0 HD23 LEU A 100 60.740 -8.092 -4.080 1.00 1.57 H new ATOM 231 N PHE A 101 62.791 -3.154 -4.759 1.00 0.60 N ATOM 232 CA PHE A 101 63.202 -1.720 -4.732 1.00 0.53 C ATOM 233 C PHE A 101 63.260 -1.158 -6.155 1.00 0.49 C ATOM 234 O PHE A 101 62.865 -0.037 -6.405 1.00 0.61 O ATOM 235 CB PHE A 101 64.594 -1.723 -4.100 1.00 0.57 C ATOM 236 CG PHE A 101 65.202 -0.346 -4.211 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.666 0.116 -5.449 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.303 0.467 -3.076 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.233 1.393 -5.551 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.870 1.743 -3.179 1.00 1.30 C ATOM 241 CZ PHE A 101 66.335 2.205 -4.416 1.00 0.40 C ATOM 0 H PHE A 101 63.549 -3.820 -4.908 1.00 0.60 H new ATOM 0 HA PHE A 101 62.501 -1.099 -4.175 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.529 -2.020 -3.053 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.230 -2.454 -4.599 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.587 -0.512 -6.324 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.944 0.110 -2.122 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.591 1.751 -6.505 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.949 2.371 -2.304 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.773 3.189 -4.494 1.00 0.40 H new ATOM 251 N ARG A 102 63.749 -1.927 -7.089 1.00 0.53 N ATOM 252 CA ARG A 102 63.830 -1.433 -8.494 1.00 0.70 C ATOM 253 C ARG A 102 62.481 -1.608 -9.195 1.00 0.80 C ATOM 254 O ARG A 102 62.310 -1.234 -10.338 1.00 1.09 O ATOM 255 CB ARG A 102 64.899 -2.300 -9.159 1.00 0.87 C ATOM 256 CG ARG A 102 65.634 -1.480 -10.220 1.00 1.28 C ATOM 257 CD ARG A 102 66.249 -2.418 -11.260 1.00 1.83 C ATOM 258 NE ARG A 102 66.759 -1.520 -12.333 1.00 2.26 N ATOM 259 CZ ARG A 102 66.932 -1.980 -13.543 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.671 -3.037 -13.740 1.00 3.22 N ATOM 261 NH2 ARG A 102 66.366 -1.381 -14.555 1.00 3.68 N ATOM 0 H ARG A 102 64.096 -2.875 -6.941 1.00 0.53 H new ATOM 0 HA ARG A 102 64.078 -0.373 -8.545 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.604 -2.663 -8.412 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.439 -3.176 -9.616 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.943 -0.789 -10.703 1.00 1.28 H new ATOM 0 HG3 ARG A 102 66.413 -0.878 -9.753 1.00 1.28 H new ATOM 0 HD2 ARG A 102 67.053 -3.014 -10.828 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.508 -3.117 -11.649 1.00 1.83 H new ATOM 0 HE ARG A 102 66.973 -0.545 -12.123 1.00 2.26 H new ATOM 0 HH11 ARG A 102 68.114 -3.504 -12.949 1.00 3.22 H new ATOM 0 HH12 ARG A 102 67.806 -3.396 -14.685 1.00 3.22 H new ATOM 0 HH21 ARG A 102 65.789 -0.554 -14.401 1.00 3.68 H new ATOM 0 HH22 ARG A 102 66.501 -1.740 -15.500 1.00 3.68 H new ATOM 275 N MET A 103 61.521 -2.178 -8.518 1.00 0.68 N ATOM 276 CA MET A 103 60.184 -2.378 -9.145 1.00 0.81 C ATOM 277 C MET A 103 59.168 -1.403 -8.544 1.00 0.79 C ATOM 278 O MET A 103 58.080 -1.230 -9.056 1.00 0.90 O ATOM 279 CB MET A 103 59.805 -3.821 -8.811 1.00 0.91 C ATOM 280 CG MET A 103 58.373 -4.094 -9.272 1.00 1.35 C ATOM 281 SD MET A 103 58.317 -5.666 -10.166 1.00 1.92 S ATOM 282 CE MET A 103 58.736 -6.737 -8.770 1.00 1.63 C ATOM 0 H MET A 103 61.605 -2.513 -7.558 1.00 0.68 H new ATOM 0 HA MET A 103 60.199 -2.198 -10.220 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.493 -4.511 -9.300 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.891 -3.991 -7.738 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.703 -4.128 -8.413 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.026 -3.285 -9.915 1.00 1.35 H new ATOM 0 HE1 MET A 103 58.485 -7.769 -9.015 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.803 -6.662 -8.562 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.172 -6.426 -7.891 1.00 1.63 H new ATOM 292 N PHE A 104 59.514 -0.765 -7.459 1.00 0.71 N ATOM 293 CA PHE A 104 58.567 0.198 -6.826 1.00 0.75 C ATOM 294 C PHE A 104 59.051 1.635 -7.038 1.00 0.68 C ATOM 295 O PHE A 104 58.296 2.577 -6.906 1.00 0.80 O ATOM 296 CB PHE A 104 58.576 -0.159 -5.339 1.00 0.76 C ATOM 297 CG PHE A 104 57.400 -1.052 -5.025 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.117 -0.504 -4.903 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.592 -2.428 -4.856 1.00 1.71 C ATOM 300 CE1 PHE A 104 55.027 -1.334 -4.610 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.502 -3.257 -4.564 1.00 2.03 C ATOM 302 CZ PHE A 104 55.219 -2.710 -4.441 1.00 1.76 C ATOM 0 H PHE A 104 60.410 -0.869 -6.984 1.00 0.71 H new ATOM 0 HA PHE A 104 57.567 0.136 -7.254 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.507 -0.663 -5.081 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.528 0.748 -4.737 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.968 0.558 -5.035 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.581 -2.851 -4.951 1.00 1.71 H new ATOM 0 HE1 PHE A 104 54.038 -0.912 -4.514 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.651 -4.319 -4.434 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.378 -3.349 -4.216 1.00 1.76 H new ATOM 312 N ASP A 105 60.305 1.811 -7.363 1.00 0.58 N ATOM 313 CA ASP A 105 60.832 3.190 -7.583 1.00 0.52 C ATOM 314 C ASP A 105 59.927 3.955 -8.552 1.00 0.52 C ATOM 315 O ASP A 105 60.133 3.942 -9.749 1.00 0.60 O ATOM 316 CB ASP A 105 62.222 2.993 -8.190 1.00 0.60 C ATOM 317 CG ASP A 105 63.017 4.298 -8.082 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.536 5.209 -7.426 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.092 4.364 -8.656 1.00 0.54 O ATOM 0 H ASP A 105 60.986 1.061 -7.485 1.00 0.58 H new ATOM 0 HA ASP A 105 60.869 3.768 -6.660 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.747 2.191 -7.671 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.135 2.693 -9.234 1.00 0.60 H new ATOM 324 N LYS A 106 58.926 4.620 -8.043 1.00 0.51 N ATOM 325 CA LYS A 106 58.009 5.384 -8.936 1.00 0.60 C ATOM 326 C LYS A 106 58.774 6.504 -9.646 1.00 0.59 C ATOM 327 O LYS A 106 58.560 6.773 -10.811 1.00 0.70 O ATOM 328 CB LYS A 106 56.945 5.966 -8.006 1.00 0.63 C ATOM 329 CG LYS A 106 55.951 6.795 -8.821 1.00 1.39 C ATOM 330 CD LYS A 106 55.142 5.871 -9.730 1.00 1.58 C ATOM 331 CE LYS A 106 54.171 5.046 -8.882 1.00 2.00 C ATOM 332 NZ LYS A 106 53.921 3.811 -9.675 1.00 2.79 N ATOM 0 H LYS A 106 58.704 4.667 -7.049 1.00 0.51 H new ATOM 0 HA LYS A 106 57.572 4.757 -9.713 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.424 5.163 -7.485 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.414 6.588 -7.244 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.284 7.342 -8.154 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.483 7.536 -9.418 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.592 6.457 -10.466 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.810 5.211 -10.283 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.600 4.810 -7.908 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.245 5.592 -8.699 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.263 3.194 -9.158 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.506 4.066 -10.594 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.819 3.309 -9.828 1.00 2.79 H new ATOM 346 N ASN A 107 59.663 7.159 -8.951 1.00 0.53 N ATOM 347 CA ASN A 107 60.439 8.261 -9.591 1.00 0.59 C ATOM 348 C ASN A 107 61.408 7.690 -10.630 1.00 0.60 C ATOM 349 O ASN A 107 61.743 8.339 -11.601 1.00 0.71 O ATOM 350 CB ASN A 107 61.208 8.920 -8.447 1.00 0.62 C ATOM 351 CG ASN A 107 62.318 9.802 -9.018 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.366 9.946 -8.419 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.133 10.403 -10.162 1.00 1.67 N ATOM 0 H ASN A 107 59.886 6.981 -7.972 1.00 0.53 H new ATOM 0 HA ASN A 107 59.796 8.971 -10.112 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.531 9.519 -7.837 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.634 8.158 -7.795 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.868 10.993 -10.553 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.254 10.283 -10.665 1.00 1.67 H new ATOM 360 N ALA A 108 61.858 6.482 -10.433 1.00 0.56 N ATOM 361 CA ALA A 108 62.804 5.872 -11.409 1.00 0.62 C ATOM 362 C ALA A 108 64.095 6.691 -11.480 1.00 0.64 C ATOM 363 O ALA A 108 64.401 7.299 -12.486 1.00 0.78 O ATOM 364 CB ALA A 108 62.067 5.913 -12.748 1.00 0.72 C ATOM 0 H ALA A 108 61.612 5.891 -9.639 1.00 0.56 H new ATOM 0 HA ALA A 108 63.090 4.858 -11.130 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.698 5.480 -13.524 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.142 5.341 -12.672 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.835 6.947 -13.004 1.00 0.72 H new ATOM 370 N ASP A 109 64.855 6.714 -10.419 1.00 0.57 N ATOM 371 CA ASP A 109 66.124 7.497 -10.430 1.00 0.63 C ATOM 372 C ASP A 109 67.211 6.757 -9.645 1.00 0.63 C ATOM 373 O ASP A 109 68.264 7.295 -9.366 1.00 0.76 O ATOM 374 CB ASP A 109 65.779 8.824 -9.750 1.00 0.62 C ATOM 375 CG ASP A 109 65.557 8.590 -8.254 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.767 7.721 -7.921 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.181 9.282 -7.467 1.00 1.20 O ATOM 0 H ASP A 109 64.653 6.226 -9.547 1.00 0.57 H new ATOM 0 HA ASP A 109 66.508 7.645 -11.439 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.585 9.542 -9.901 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.883 9.252 -10.199 1.00 0.62 H new ATOM 382 N GLY A 110 66.962 5.527 -9.286 1.00 0.58 N ATOM 383 CA GLY A 110 67.980 4.755 -8.517 1.00 0.62 C ATOM 384 C GLY A 110 67.653 4.835 -7.026 1.00 0.54 C ATOM 385 O GLY A 110 68.151 4.067 -6.227 1.00 0.57 O ATOM 0 H GLY A 110 66.099 5.024 -9.491 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.988 3.715 -8.844 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.976 5.156 -8.705 1.00 0.62 H new ATOM 389 N TYR A 111 66.813 5.758 -6.647 1.00 0.50 N ATOM 390 CA TYR A 111 66.445 5.891 -5.210 1.00 0.48 C ATOM 391 C TYR A 111 64.937 6.109 -5.078 1.00 0.42 C ATOM 392 O TYR A 111 64.233 6.246 -6.058 1.00 0.52 O ATOM 393 CB TYR A 111 67.207 7.119 -4.713 1.00 0.52 C ATOM 394 CG TYR A 111 68.688 6.931 -4.943 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.216 7.038 -6.236 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.533 6.653 -3.862 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.590 6.867 -6.446 1.00 1.40 C ATOM 398 CE2 TYR A 111 70.906 6.483 -4.073 1.00 1.46 C ATOM 399 CZ TYR A 111 71.434 6.589 -5.366 1.00 0.83 C ATOM 400 OH TYR A 111 72.789 6.422 -5.573 1.00 0.97 O ATOM 0 H TYR A 111 66.365 6.427 -7.272 1.00 0.50 H new ATOM 0 HA TYR A 111 66.695 5.000 -4.634 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.859 8.010 -5.235 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.011 7.275 -3.652 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.564 7.252 -7.070 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.125 6.570 -2.865 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.998 6.950 -7.442 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.558 6.270 -3.239 1.00 1.46 H new ATOM 0 HH TYR A 111 73.230 6.236 -4.718 1.00 0.97 H new ATOM 410 N ILE A 112 64.432 6.147 -3.875 1.00 0.36 N ATOM 411 CA ILE A 112 62.969 6.363 -3.691 1.00 0.32 C ATOM 412 C ILE A 112 62.715 7.384 -2.585 1.00 0.35 C ATOM 413 O ILE A 112 63.247 7.286 -1.498 1.00 0.43 O ATOM 414 CB ILE A 112 62.409 5.009 -3.300 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.824 3.999 -4.378 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.879 5.121 -3.210 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.741 2.942 -4.575 1.00 0.46 C ATOM 0 H ILE A 112 64.968 6.038 -3.014 1.00 0.36 H new ATOM 0 HA ILE A 112 62.500 6.751 -4.595 1.00 0.32 H new ATOM 0 HB ILE A 112 62.790 4.679 -2.334 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.007 4.519 -5.319 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.760 3.519 -4.092 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.459 4.155 -2.929 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.612 5.864 -2.459 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.479 5.423 -4.178 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.057 2.237 -5.344 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.578 2.409 -3.638 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.814 3.424 -4.884 1.00 0.46 H new ATOM 429 N ASP A 113 61.902 8.361 -2.854 1.00 0.36 N ATOM 430 CA ASP A 113 61.611 9.389 -1.814 1.00 0.44 C ATOM 431 C ASP A 113 60.331 9.023 -1.056 1.00 0.44 C ATOM 432 O ASP A 113 59.684 8.039 -1.352 1.00 0.60 O ATOM 433 CB ASP A 113 61.437 10.701 -2.584 1.00 0.56 C ATOM 434 CG ASP A 113 60.059 10.735 -3.247 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.076 10.756 -2.524 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.009 10.743 -4.466 1.00 1.53 O ATOM 0 H ASP A 113 61.425 8.496 -3.746 1.00 0.36 H new ATOM 0 HA ASP A 113 62.405 9.464 -1.071 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.545 11.548 -1.906 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.217 10.796 -3.340 1.00 0.56 H new ATOM 441 N LEU A 114 59.967 9.802 -0.076 1.00 0.47 N ATOM 442 CA LEU A 114 58.733 9.494 0.706 1.00 0.47 C ATOM 443 C LEU A 114 57.524 9.339 -0.223 1.00 0.50 C ATOM 444 O LEU A 114 56.879 8.310 -0.252 1.00 0.52 O ATOM 445 CB LEU A 114 58.544 10.699 1.628 1.00 0.57 C ATOM 446 CG LEU A 114 58.162 10.218 3.028 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.115 11.413 3.983 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.786 9.551 2.981 1.00 1.57 C ATOM 0 H LEU A 114 60.469 10.639 0.219 1.00 0.47 H new ATOM 0 HA LEU A 114 58.823 8.558 1.258 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.463 11.284 1.671 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.767 11.354 1.233 1.00 0.57 H new ATOM 0 HG LEU A 114 58.903 9.500 3.379 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.843 11.070 4.981 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.095 11.890 4.018 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.374 12.131 3.631 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.514 9.208 3.979 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.045 10.269 2.629 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.817 8.700 2.301 1.00 1.57 H new ATOM 460 N GLU A 115 57.210 10.355 -0.977 1.00 0.56 N ATOM 461 CA GLU A 115 56.036 10.272 -1.897 1.00 0.64 C ATOM 462 C GLU A 115 56.028 8.935 -2.645 1.00 0.56 C ATOM 463 O GLU A 115 55.003 8.295 -2.777 1.00 0.61 O ATOM 464 CB GLU A 115 56.218 11.432 -2.877 1.00 0.77 C ATOM 465 CG GLU A 115 55.957 12.756 -2.155 1.00 1.54 C ATOM 466 CD GLU A 115 56.122 13.916 -3.138 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.107 13.923 -3.857 1.00 2.67 O ATOM 468 OE2 GLU A 115 55.259 14.779 -3.154 1.00 2.45 O ATOM 0 H GLU A 115 57.715 11.241 -0.998 1.00 0.56 H new ATOM 0 HA GLU A 115 55.091 10.334 -1.358 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.228 11.422 -3.286 1.00 0.77 H new ATOM 0 HB3 GLU A 115 55.533 11.323 -3.718 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.951 12.761 -1.736 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.650 12.871 -1.322 1.00 1.54 H new ATOM 475 N GLU A 116 57.157 8.511 -3.140 1.00 0.49 N ATOM 476 CA GLU A 116 57.206 7.218 -3.885 1.00 0.45 C ATOM 477 C GLU A 116 56.859 6.047 -2.960 1.00 0.43 C ATOM 478 O GLU A 116 56.034 5.216 -3.282 1.00 0.51 O ATOM 479 CB GLU A 116 58.648 7.103 -4.378 1.00 0.42 C ATOM 480 CG GLU A 116 58.920 8.195 -5.412 1.00 0.94 C ATOM 481 CD GLU A 116 60.385 8.131 -5.847 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.839 7.045 -6.168 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.028 9.169 -5.852 1.00 1.28 O ATOM 0 H GLU A 116 58.048 9.002 -3.062 1.00 0.49 H new ATOM 0 HA GLU A 116 56.488 7.190 -4.704 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.339 7.200 -3.541 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.816 6.120 -4.818 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.267 8.064 -6.275 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.697 9.175 -4.989 1.00 0.94 H new ATOM 490 N LEU A 117 57.482 5.972 -1.816 1.00 0.37 N ATOM 491 CA LEU A 117 57.184 4.850 -0.879 1.00 0.42 C ATOM 492 C LEU A 117 55.687 4.809 -0.569 1.00 0.50 C ATOM 493 O LEU A 117 55.121 3.761 -0.329 1.00 0.58 O ATOM 494 CB LEU A 117 57.985 5.160 0.385 1.00 0.43 C ATOM 495 CG LEU A 117 58.378 3.851 1.071 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.893 3.660 0.980 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.958 3.903 2.542 1.00 1.53 C ATOM 0 H LEU A 117 58.183 6.637 -1.489 1.00 0.37 H new ATOM 0 HA LEU A 117 57.450 3.880 -1.299 1.00 0.42 H new ATOM 0 HB2 LEU A 117 58.877 5.733 0.132 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.393 5.775 1.063 1.00 0.43 H new ATOM 0 HG LEU A 117 57.878 3.018 0.578 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.172 2.727 1.469 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.193 3.625 -0.067 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.395 4.492 1.473 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.237 2.971 3.033 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.459 4.737 3.034 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.878 4.039 2.608 1.00 1.53 H new ATOM 509 N LYS A 118 55.042 5.943 -0.571 1.00 0.52 N ATOM 510 CA LYS A 118 53.583 5.966 -0.274 1.00 0.63 C ATOM 511 C LYS A 118 52.819 5.161 -1.328 1.00 0.71 C ATOM 512 O LYS A 118 51.912 4.414 -1.016 1.00 0.83 O ATOM 513 CB LYS A 118 53.188 7.442 -0.334 1.00 0.68 C ATOM 514 CG LYS A 118 52.797 7.923 1.064 1.00 1.05 C ATOM 515 CD LYS A 118 52.110 9.287 0.963 1.00 1.33 C ATOM 516 CE LYS A 118 53.168 10.379 0.791 1.00 1.49 C ATOM 517 NZ LYS A 118 52.495 11.637 1.222 1.00 1.82 N ATOM 0 H LYS A 118 55.461 6.852 -0.765 1.00 0.52 H new ATOM 0 HA LYS A 118 53.351 5.523 0.695 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.018 8.036 -0.716 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.355 7.579 -1.023 1.00 0.68 H new ATOM 0 HG2 LYS A 118 52.129 7.202 1.534 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.682 7.996 1.696 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.421 9.297 0.119 1.00 1.33 H new ATOM 0 HD3 LYS A 118 51.519 9.476 1.859 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.049 10.174 1.399 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.503 10.445 -0.244 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.121 12.163 1.865 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.285 12.222 0.388 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.608 11.405 1.714 1.00 1.82 H new ATOM 531 N ILE A 119 53.181 5.306 -2.573 1.00 0.72 N ATOM 532 CA ILE A 119 52.478 4.548 -3.647 1.00 0.84 C ATOM 533 C ILE A 119 52.814 3.057 -3.549 1.00 0.86 C ATOM 534 O ILE A 119 52.039 2.209 -3.945 1.00 0.96 O ATOM 535 CB ILE A 119 53.008 5.135 -4.951 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.410 6.528 -5.152 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.604 4.234 -6.121 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.012 7.166 -6.401 1.00 1.08 C ATOM 0 H ILE A 119 53.933 5.916 -2.893 1.00 0.72 H new ATOM 0 HA ILE A 119 51.394 4.632 -3.573 1.00 0.84 H new ATOM 0 HB ILE A 119 54.095 5.203 -4.907 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.327 6.459 -5.252 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.611 7.151 -4.280 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.983 4.655 -7.052 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.023 3.238 -5.975 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.517 4.166 -6.170 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.586 8.159 -6.544 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.092 7.249 -6.283 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.789 6.547 -7.270 1.00 1.08 H new ATOM 550 N MET A 120 53.961 2.733 -3.021 1.00 0.82 N ATOM 551 CA MET A 120 54.344 1.297 -2.894 1.00 0.92 C ATOM 552 C MET A 120 53.386 0.584 -1.937 1.00 0.92 C ATOM 553 O MET A 120 53.028 -0.560 -2.138 1.00 1.01 O ATOM 554 CB MET A 120 55.764 1.316 -2.322 1.00 0.96 C ATOM 555 CG MET A 120 56.108 -0.064 -1.755 1.00 1.50 C ATOM 556 SD MET A 120 57.867 -0.123 -1.336 1.00 2.13 S ATOM 557 CE MET A 120 57.682 0.098 0.451 1.00 2.73 C ATOM 0 H MET A 120 54.650 3.399 -2.672 1.00 0.82 H new ATOM 0 HA MET A 120 54.297 0.767 -3.845 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.477 1.588 -3.100 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.842 2.071 -1.540 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.505 -0.266 -0.869 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.871 -0.838 -2.485 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.662 0.253 0.902 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.051 0.965 0.647 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.221 -0.791 0.882 1.00 2.73 H new ATOM 567 N LEU A 121 52.963 1.253 -0.901 1.00 0.88 N ATOM 568 CA LEU A 121 52.020 0.617 0.064 1.00 0.96 C ATOM 569 C LEU A 121 50.635 0.507 -0.568 1.00 0.99 C ATOM 570 O LEU A 121 49.891 -0.416 -0.304 1.00 1.12 O ATOM 571 CB LEU A 121 51.970 1.557 1.264 1.00 0.98 C ATOM 572 CG LEU A 121 53.383 2.031 1.623 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.370 2.644 3.025 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.347 0.842 1.600 1.00 1.81 C ATOM 0 H LEU A 121 53.229 2.213 -0.680 1.00 0.88 H new ATOM 0 HA LEU A 121 52.338 -0.386 0.347 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.337 2.415 1.037 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.522 1.047 2.117 1.00 0.98 H new ATOM 0 HG LEU A 121 53.710 2.776 0.898 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.373 2.982 3.284 1.00 1.51 H new ATOM 0 HD12 LEU A 121 52.685 3.492 3.045 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.042 1.895 3.746 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.351 1.182 1.856 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.021 0.096 2.324 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.356 0.400 0.603 1.00 1.81 H new ATOM 586 N GLN A 122 50.284 1.444 -1.406 1.00 0.95 N ATOM 587 CA GLN A 122 48.950 1.389 -2.061 1.00 1.05 C ATOM 588 C GLN A 122 48.900 0.179 -2.988 1.00 1.12 C ATOM 589 O GLN A 122 47.856 -0.393 -3.231 1.00 1.24 O ATOM 590 CB GLN A 122 48.837 2.690 -2.854 1.00 1.07 C ATOM 591 CG GLN A 122 48.021 3.702 -2.051 1.00 1.49 C ATOM 592 CD GLN A 122 48.395 5.121 -2.483 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.374 6.037 -1.684 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.739 5.344 -3.722 1.00 1.52 N ATOM 0 H GLN A 122 50.863 2.243 -1.664 1.00 0.95 H new ATOM 0 HA GLN A 122 48.130 1.290 -1.349 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.829 3.089 -3.063 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.360 2.503 -3.816 1.00 1.07 H new ATOM 0 HG2 GLN A 122 46.956 3.532 -2.208 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.211 3.574 -0.985 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.757 4.576 -4.393 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.990 6.287 -4.020 1.00 1.52 H new ATOM 603 N ALA A 123 50.033 -0.224 -3.494 1.00 1.11 N ATOM 604 CA ALA A 123 50.067 -1.409 -4.392 1.00 1.26 C ATOM 605 C ALA A 123 49.816 -2.670 -3.567 1.00 1.39 C ATOM 606 O ALA A 123 49.477 -3.714 -4.090 1.00 1.55 O ATOM 607 CB ALA A 123 51.477 -1.422 -4.983 1.00 1.31 C ATOM 0 H ALA A 123 50.937 0.217 -3.323 1.00 1.11 H new ATOM 0 HA ALA A 123 49.308 -1.371 -5.174 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.580 -2.271 -5.659 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.649 -0.497 -5.533 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.208 -1.507 -4.179 1.00 1.31 H new ATOM 682 N THR A 129 47.961 6.980 6.689 1.00 1.18 N ATOM 683 CA THR A 129 48.079 8.410 6.279 1.00 1.21 C ATOM 684 C THR A 129 49.545 8.852 6.315 1.00 1.10 C ATOM 685 O THR A 129 50.428 8.078 6.627 1.00 1.04 O ATOM 686 CB THR A 129 47.259 9.187 7.311 1.00 1.37 C ATOM 687 OG1 THR A 129 47.922 9.148 8.567 1.00 1.63 O ATOM 688 CG2 THR A 129 45.873 8.555 7.444 1.00 1.63 C ATOM 0 HA THR A 129 47.722 8.579 5.263 1.00 1.21 H new ATOM 0 HB THR A 129 47.154 10.223 6.987 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.861 10.027 8.996 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.290 9.109 8.179 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.365 8.586 6.480 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.975 7.519 7.768 1.00 1.63 H new ATOM 696 N GLU A 130 49.809 10.089 5.998 1.00 1.13 N ATOM 697 CA GLU A 130 51.217 10.579 6.016 1.00 1.09 C ATOM 698 C GLU A 130 51.733 10.650 7.455 1.00 1.03 C ATOM 699 O GLU A 130 52.922 10.724 7.695 1.00 0.98 O ATOM 700 CB GLU A 130 51.157 11.976 5.399 1.00 1.23 C ATOM 701 CG GLU A 130 52.529 12.344 4.831 1.00 1.68 C ATOM 702 CD GLU A 130 52.544 13.828 4.455 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.496 14.336 4.091 1.00 2.66 O ATOM 704 OE2 GLU A 130 53.601 14.428 4.540 1.00 2.77 O ATOM 0 H GLU A 130 49.111 10.782 5.727 1.00 1.13 H new ATOM 0 HA GLU A 130 51.891 9.920 5.469 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.406 12.004 4.610 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.856 12.705 6.152 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.306 12.136 5.566 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.747 11.734 3.955 1.00 1.68 H new ATOM 711 N ASP A 131 50.848 10.629 8.414 1.00 1.08 N ATOM 712 CA ASP A 131 51.289 10.698 9.836 1.00 1.10 C ATOM 713 C ASP A 131 52.133 9.470 10.189 1.00 0.95 C ATOM 714 O ASP A 131 53.168 9.577 10.816 1.00 0.88 O ATOM 715 CB ASP A 131 49.995 10.712 10.651 1.00 1.27 C ATOM 716 CG ASP A 131 49.076 11.817 10.129 1.00 1.65 C ATOM 717 OD1 ASP A 131 48.311 11.542 9.219 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.153 12.918 10.647 1.00 2.09 O ATOM 0 H ASP A 131 49.839 10.567 8.274 1.00 1.08 H new ATOM 0 HA ASP A 131 51.906 11.574 10.035 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.497 9.745 10.579 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.218 10.877 11.705 1.00 1.27 H new ATOM 723 N ASP A 132 51.699 8.305 9.793 1.00 0.96 N ATOM 724 CA ASP A 132 52.478 7.073 10.108 1.00 0.88 C ATOM 725 C ASP A 132 53.643 6.918 9.127 1.00 0.76 C ATOM 726 O ASP A 132 54.766 6.667 9.517 1.00 0.72 O ATOM 727 CB ASP A 132 51.485 5.922 9.946 1.00 0.99 C ATOM 728 CG ASP A 132 51.211 5.285 11.311 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.176 6.015 12.287 1.00 1.95 O ATOM 730 OD2 ASP A 132 51.040 4.078 11.355 1.00 1.70 O ATOM 0 H ASP A 132 50.840 8.152 9.265 1.00 0.96 H new ATOM 0 HA ASP A 132 52.908 7.102 11.109 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.555 6.289 9.511 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.886 5.176 9.259 1.00 0.99 H new ATOM 735 N ILE A 133 53.385 7.066 7.857 1.00 0.78 N ATOM 736 CA ILE A 133 54.480 6.927 6.853 1.00 0.73 C ATOM 737 C ILE A 133 55.526 8.026 7.054 1.00 0.66 C ATOM 738 O ILE A 133 56.645 7.925 6.592 1.00 0.63 O ATOM 739 CB ILE A 133 53.795 7.081 5.495 1.00 0.84 C ATOM 740 CG1 ILE A 133 53.003 5.810 5.177 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.851 7.308 4.413 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.232 6.003 3.870 1.00 0.96 C ATOM 0 H ILE A 133 52.465 7.277 7.470 1.00 0.78 H new ATOM 0 HA ILE A 133 55.001 5.974 6.941 1.00 0.73 H new ATOM 0 HB ILE A 133 53.117 7.934 5.525 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.679 4.959 5.091 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.312 5.586 5.990 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.362 7.418 3.445 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.415 8.213 4.639 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.530 6.456 4.382 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.668 5.098 3.643 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.545 6.843 3.974 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.933 6.206 3.060 1.00 0.96 H new ATOM 754 N GLU A 134 55.167 9.078 7.739 1.00 0.73 N ATOM 755 CA GLU A 134 56.139 10.184 7.970 1.00 0.77 C ATOM 756 C GLU A 134 57.362 9.667 8.734 1.00 0.70 C ATOM 757 O GLU A 134 58.475 9.717 8.250 1.00 0.68 O ATOM 758 CB GLU A 134 55.376 11.208 8.811 1.00 0.96 C ATOM 759 CG GLU A 134 54.909 12.358 7.917 1.00 0.95 C ATOM 760 CD GLU A 134 55.879 13.533 8.050 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.904 13.508 7.388 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.582 14.439 8.811 1.00 2.07 O ATOM 0 H GLU A 134 54.243 9.219 8.148 1.00 0.73 H new ATOM 0 HA GLU A 134 56.507 10.612 7.037 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.519 10.735 9.290 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.015 11.589 9.607 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.860 12.029 6.879 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.904 12.669 8.201 1.00 0.95 H new ATOM 769 N GLU A 135 57.163 9.170 9.926 1.00 0.74 N ATOM 770 CA GLU A 135 58.314 8.650 10.719 1.00 0.76 C ATOM 771 C GLU A 135 58.824 7.338 10.115 1.00 0.66 C ATOM 772 O GLU A 135 59.942 6.926 10.355 1.00 0.74 O ATOM 773 CB GLU A 135 57.754 8.410 12.122 1.00 0.88 C ATOM 774 CG GLU A 135 57.854 9.699 12.940 1.00 1.20 C ATOM 775 CD GLU A 135 57.090 9.530 14.255 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.614 8.435 14.504 1.00 2.16 O ATOM 777 OE2 GLU A 135 56.994 10.499 14.990 1.00 1.95 O ATOM 0 H GLU A 135 56.254 9.102 10.384 1.00 0.74 H new ATOM 0 HA GLU A 135 59.154 9.344 10.728 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.715 8.086 12.060 1.00 0.88 H new ATOM 0 HB3 GLU A 135 58.308 7.611 12.614 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.899 9.934 13.142 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.443 10.535 12.373 1.00 1.20 H new ATOM 784 N LEU A 136 58.015 6.679 9.332 1.00 0.62 N ATOM 785 CA LEU A 136 58.456 5.394 8.714 1.00 0.66 C ATOM 786 C LEU A 136 59.657 5.632 7.795 1.00 0.61 C ATOM 787 O LEU A 136 60.651 4.936 7.863 1.00 0.70 O ATOM 788 CB LEU A 136 57.253 4.908 7.906 1.00 0.77 C ATOM 789 CG LEU A 136 57.692 3.788 6.962 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.223 2.611 7.779 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.493 3.329 6.127 1.00 1.38 C ATOM 0 H LEU A 136 57.068 6.973 9.093 1.00 0.62 H new ATOM 0 HA LEU A 136 58.767 4.664 9.461 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.473 4.548 8.576 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.827 5.733 7.335 1.00 0.77 H new ATOM 0 HG LEU A 136 58.478 4.155 6.302 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.536 1.813 7.106 1.00 1.63 H new ATOM 0 HD12 LEU A 136 59.075 2.937 8.376 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.438 2.242 8.439 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.803 2.530 5.453 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.708 2.961 6.788 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.113 4.168 5.544 1.00 1.38 H new ATOM 803 N MET A 137 59.571 6.609 6.935 1.00 0.55 N ATOM 804 CA MET A 137 60.705 6.892 6.010 1.00 0.59 C ATOM 805 C MET A 137 61.828 7.621 6.754 1.00 0.65 C ATOM 806 O MET A 137 62.961 7.646 6.317 1.00 0.81 O ATOM 807 CB MET A 137 60.113 7.789 4.921 1.00 0.60 C ATOM 808 CG MET A 137 59.248 6.949 3.981 1.00 0.96 C ATOM 809 SD MET A 137 60.271 5.683 3.190 1.00 1.23 S ATOM 810 CE MET A 137 61.130 6.777 2.032 1.00 1.35 C ATOM 0 H MET A 137 58.764 7.224 6.833 1.00 0.55 H new ATOM 0 HA MET A 137 61.138 5.981 5.598 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.515 8.580 5.373 1.00 0.60 H new ATOM 0 HB3 MET A 137 60.912 8.274 4.361 1.00 0.60 H new ATOM 0 HG2 MET A 137 58.436 6.480 4.538 1.00 0.96 H new ATOM 0 HG3 MET A 137 58.789 7.586 3.225 1.00 0.96 H new ATOM 0 HE1 MET A 137 60.870 6.502 1.010 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.832 7.809 2.217 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.207 6.680 2.171 1.00 1.35 H new ATOM 820 N LYS A 138 61.522 8.213 7.876 1.00 0.62 N ATOM 821 CA LYS A 138 62.573 8.940 8.646 1.00 0.79 C ATOM 822 C LYS A 138 63.574 7.948 9.242 1.00 0.86 C ATOM 823 O LYS A 138 64.768 8.176 9.236 1.00 1.16 O ATOM 824 CB LYS A 138 61.816 9.670 9.758 1.00 0.87 C ATOM 825 CG LYS A 138 62.627 10.882 10.221 1.00 1.55 C ATOM 826 CD LYS A 138 62.254 12.098 9.372 1.00 2.07 C ATOM 827 CE LYS A 138 61.117 12.864 10.050 1.00 2.85 C ATOM 828 NZ LYS A 138 60.396 13.544 8.938 1.00 3.36 N ATOM 0 H LYS A 138 60.591 8.225 8.293 1.00 0.62 H new ATOM 0 HA LYS A 138 63.142 9.627 8.020 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.839 9.990 9.397 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.641 8.995 10.596 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.429 11.085 11.273 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.693 10.675 10.131 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.121 12.747 9.247 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.948 11.779 8.375 1.00 2.07 H new ATOM 0 HE2 LYS A 138 60.456 12.190 10.595 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.502 13.585 10.771 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 59.600 14.091 9.324 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.048 14.184 8.442 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 60.035 12.832 8.271 1.00 3.36 H new ATOM 842 N ASP A 139 63.098 6.847 9.758 1.00 0.71 N ATOM 843 CA ASP A 139 64.023 5.841 10.355 1.00 0.85 C ATOM 844 C ASP A 139 64.529 4.882 9.274 1.00 0.85 C ATOM 845 O ASP A 139 65.654 4.422 9.316 1.00 1.02 O ATOM 846 CB ASP A 139 63.181 5.089 11.386 1.00 0.97 C ATOM 847 CG ASP A 139 63.521 5.596 12.788 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.369 6.784 13.020 1.00 1.80 O ATOM 849 OD2 ASP A 139 63.928 4.787 13.606 1.00 2.33 O ATOM 0 H ASP A 139 62.109 6.601 9.792 1.00 0.71 H new ATOM 0 HA ASP A 139 64.901 6.304 10.806 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.120 5.235 11.182 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.374 4.018 11.318 1.00 0.97 H new ATOM 854 N GLY A 140 63.707 4.575 8.308 1.00 0.81 N ATOM 855 CA GLY A 140 64.141 3.644 7.227 1.00 0.86 C ATOM 856 C GLY A 140 65.433 4.162 6.591 1.00 0.77 C ATOM 857 O GLY A 140 66.300 3.398 6.215 1.00 0.86 O ATOM 0 H GLY A 140 62.754 4.928 8.220 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.299 2.646 7.635 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.360 3.559 6.471 1.00 0.86 H new ATOM 861 N ASP A 141 65.569 5.455 6.466 1.00 0.70 N ATOM 862 CA ASP A 141 66.806 6.018 5.853 1.00 0.66 C ATOM 863 C ASP A 141 68.034 5.618 6.676 1.00 0.74 C ATOM 864 O ASP A 141 68.211 6.054 7.797 1.00 0.87 O ATOM 865 CB ASP A 141 66.609 7.534 5.882 1.00 0.66 C ATOM 866 CG ASP A 141 66.797 8.101 4.473 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.820 7.815 3.873 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.914 8.811 4.018 1.00 0.83 O ATOM 0 H ASP A 141 64.878 6.145 6.761 1.00 0.70 H new ATOM 0 HA ASP A 141 66.970 5.649 4.841 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.612 7.775 6.252 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.323 7.991 6.567 1.00 0.66 H new ATOM 873 N LYS A 142 68.882 4.791 6.129 1.00 0.75 N ATOM 874 CA LYS A 142 70.098 4.361 6.879 1.00 0.87 C ATOM 875 C LYS A 142 71.031 5.555 7.104 1.00 0.89 C ATOM 876 O LYS A 142 71.899 5.525 7.954 1.00 1.05 O ATOM 877 CB LYS A 142 70.768 3.320 5.983 1.00 0.89 C ATOM 878 CG LYS A 142 70.541 1.922 6.563 1.00 1.24 C ATOM 879 CD LYS A 142 71.866 1.158 6.584 1.00 1.26 C ATOM 880 CE LYS A 142 72.528 1.321 7.955 1.00 1.55 C ATOM 881 NZ LYS A 142 73.952 1.642 7.657 1.00 1.99 N ATOM 0 H LYS A 142 68.786 4.394 5.194 1.00 0.75 H new ATOM 0 HA LYS A 142 69.855 3.958 7.862 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.360 3.377 4.974 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.836 3.524 5.907 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.136 1.997 7.572 1.00 1.24 H new ATOM 0 HG3 LYS A 142 69.807 1.383 5.964 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.693 0.102 6.375 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.527 1.533 5.802 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.055 2.117 8.530 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.444 0.409 8.545 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 74.473 1.769 8.548 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.377 0.863 7.115 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.001 2.519 7.100 1.00 1.99 H new ATOM 895 N ASN A 143 70.861 6.605 6.347 1.00 0.85 N ATOM 896 CA ASN A 143 71.740 7.796 6.517 1.00 1.05 C ATOM 897 C ASN A 143 70.893 9.068 6.612 1.00 1.07 C ATOM 898 O ASN A 143 71.409 10.163 6.717 1.00 1.56 O ATOM 899 CB ASN A 143 72.611 7.827 5.261 1.00 1.08 C ATOM 900 CG ASN A 143 71.733 8.113 4.041 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.537 8.283 4.165 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.280 8.173 2.858 1.00 1.48 N ATOM 0 H ASN A 143 70.152 6.689 5.619 1.00 0.85 H new ATOM 0 HA ASN A 143 72.337 7.742 7.427 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.380 8.593 5.357 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.125 6.874 5.138 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.703 8.363 2.038 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.284 8.030 2.753 1.00 1.48 H new ATOM 909 N ASN A 144 69.596 8.930 6.575 1.00 0.78 N ATOM 910 CA ASN A 144 68.714 10.128 6.662 1.00 0.82 C ATOM 911 C ASN A 144 69.068 11.128 5.556 1.00 0.82 C ATOM 912 O ASN A 144 69.683 12.146 5.802 1.00 0.92 O ATOM 913 CB ASN A 144 68.998 10.730 8.039 1.00 0.95 C ATOM 914 CG ASN A 144 68.550 9.751 9.126 1.00 1.47 C ATOM 915 OD1 ASN A 144 69.308 9.431 10.019 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.342 9.262 9.088 1.00 1.93 N ATOM 0 H ASN A 144 69.109 8.038 6.488 1.00 0.78 H new ATOM 0 HA ASN A 144 67.661 9.875 6.536 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.062 10.943 8.142 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.471 11.678 8.149 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.033 8.610 9.809 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.706 9.532 8.337 1.00 1.93 H new ATOM 923 N ASP A 145 68.686 10.845 4.340 1.00 0.75 N ATOM 924 CA ASP A 145 69.004 11.782 3.224 1.00 0.78 C ATOM 925 C ASP A 145 67.732 12.133 2.445 1.00 0.74 C ATOM 926 O ASP A 145 67.739 12.987 1.581 1.00 0.81 O ATOM 927 CB ASP A 145 69.986 11.020 2.334 1.00 0.76 C ATOM 928 CG ASP A 145 69.241 9.925 1.569 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.128 9.610 1.957 1.00 1.85 O ATOM 930 OD2 ASP A 145 69.795 9.421 0.606 1.00 1.72 O ATOM 0 H ASP A 145 68.169 10.008 4.071 1.00 0.75 H new ATOM 0 HA ASP A 145 69.424 12.722 3.582 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.465 11.705 1.634 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.777 10.580 2.941 1.00 0.76 H new ATOM 935 N GLY A 146 66.640 11.484 2.744 1.00 0.69 N ATOM 936 CA GLY A 146 65.372 11.785 2.020 1.00 0.70 C ATOM 937 C GLY A 146 65.056 10.651 1.043 1.00 0.58 C ATOM 938 O GLY A 146 63.925 10.224 0.920 1.00 0.62 O ATOM 0 H GLY A 146 66.571 10.759 3.458 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.555 11.904 2.731 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.465 12.728 1.481 1.00 0.70 H new ATOM 942 N ARG A 147 66.044 10.158 0.347 1.00 0.54 N ATOM 943 CA ARG A 147 65.792 9.051 -0.620 1.00 0.49 C ATOM 944 C ARG A 147 66.335 7.729 -0.073 1.00 0.44 C ATOM 945 O ARG A 147 67.147 7.704 0.830 1.00 0.56 O ATOM 946 CB ARG A 147 66.549 9.447 -1.890 1.00 0.57 C ATOM 947 CG ARG A 147 65.972 10.746 -2.452 1.00 0.78 C ATOM 948 CD ARG A 147 65.140 10.436 -3.698 1.00 0.73 C ATOM 949 NE ARG A 147 65.244 11.657 -4.545 1.00 1.07 N ATOM 950 CZ ARG A 147 64.350 12.602 -4.441 1.00 1.60 C ATOM 951 NH1 ARG A 147 64.488 13.535 -3.539 1.00 2.32 N ATOM 952 NH2 ARG A 147 63.318 12.615 -5.238 1.00 2.22 N ATOM 0 H ARG A 147 67.012 10.473 0.406 1.00 0.54 H new ATOM 0 HA ARG A 147 64.727 8.908 -0.804 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.608 9.575 -1.668 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.472 8.653 -2.633 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.353 11.237 -1.701 1.00 0.78 H new ATOM 0 HG3 ARG A 147 66.778 11.436 -2.702 1.00 0.78 H new ATOM 0 HD2 ARG A 147 65.523 9.560 -4.220 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.103 10.224 -3.437 1.00 0.73 H new ATOM 0 HE ARG A 147 66.014 11.754 -5.207 1.00 1.07 H new ATOM 0 HH11 ARG A 147 65.295 13.526 -2.915 1.00 2.32 H new ATOM 0 HH12 ARG A 147 63.789 14.273 -3.458 1.00 2.32 H new ATOM 0 HH21 ARG A 147 63.209 11.886 -5.943 1.00 2.22 H new ATOM 0 HH22 ARG A 147 62.620 13.354 -5.156 1.00 2.22 H new ATOM 966 N ILE A 148 65.896 6.629 -0.621 1.00 0.35 N ATOM 967 CA ILE A 148 66.388 5.305 -0.146 1.00 0.36 C ATOM 968 C ILE A 148 66.967 4.520 -1.326 1.00 0.40 C ATOM 969 O ILE A 148 66.438 4.548 -2.420 1.00 0.41 O ATOM 970 CB ILE A 148 65.150 4.603 0.422 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.876 5.124 1.835 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.387 3.092 0.477 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.698 4.358 2.440 1.00 0.40 C ATOM 0 H ILE A 148 65.215 6.590 -1.380 1.00 0.35 H new ATOM 0 HA ILE A 148 67.177 5.391 0.601 1.00 0.36 H new ATOM 0 HB ILE A 148 64.294 4.809 -0.221 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.762 5.001 2.458 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.653 6.191 1.804 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.503 2.600 0.882 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.583 2.718 -0.528 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.244 2.881 1.116 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.502 4.728 3.446 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.813 4.504 1.821 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.939 3.296 2.485 1.00 0.40 H new ATOM 985 N ASP A 149 68.048 3.822 -1.117 1.00 0.47 N ATOM 986 CA ASP A 149 68.653 3.044 -2.235 1.00 0.55 C ATOM 987 C ASP A 149 68.563 1.542 -1.949 1.00 0.58 C ATOM 988 O ASP A 149 67.877 1.112 -1.043 1.00 0.54 O ATOM 989 CB ASP A 149 70.114 3.495 -2.296 1.00 0.65 C ATOM 990 CG ASP A 149 70.693 3.568 -0.883 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.501 4.586 -0.237 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.320 2.606 -0.469 1.00 2.00 O ATOM 0 H ASP A 149 68.538 3.756 -0.225 1.00 0.47 H new ATOM 0 HA ASP A 149 68.137 3.217 -3.179 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.694 2.798 -2.901 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.183 4.470 -2.778 1.00 0.65 H new ATOM 997 N TYR A 150 69.246 0.744 -2.721 1.00 0.67 N ATOM 998 CA TYR A 150 69.199 -0.731 -2.504 1.00 0.73 C ATOM 999 C TYR A 150 69.782 -1.095 -1.136 1.00 0.75 C ATOM 1000 O TYR A 150 69.393 -2.071 -0.525 1.00 0.76 O ATOM 1001 CB TYR A 150 70.056 -1.318 -3.625 1.00 0.84 C ATOM 1002 CG TYR A 150 70.020 -2.825 -3.552 1.00 0.97 C ATOM 1003 CD1 TYR A 150 70.844 -3.501 -2.645 1.00 1.63 C ATOM 1004 CD2 TYR A 150 69.162 -3.546 -4.392 1.00 1.74 C ATOM 1005 CE1 TYR A 150 70.811 -4.900 -2.578 1.00 2.06 C ATOM 1006 CE2 TYR A 150 69.129 -4.943 -4.325 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.953 -5.621 -3.418 1.00 2.02 C ATOM 1008 OH TYR A 150 69.921 -6.999 -3.351 1.00 2.63 O ATOM 0 H TYR A 150 69.836 1.049 -3.495 1.00 0.67 H new ATOM 0 HA TYR A 150 68.179 -1.116 -2.519 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.686 -0.982 -4.594 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.083 -0.964 -3.535 1.00 0.84 H new ATOM 0 HD1 TYR A 150 71.505 -2.945 -1.997 1.00 1.63 H new ATOM 0 HD2 TYR A 150 68.526 -3.024 -5.091 1.00 1.74 H new ATOM 0 HE1 TYR A 150 71.447 -5.422 -1.879 1.00 2.06 H new ATOM 0 HE2 TYR A 150 68.468 -5.499 -4.973 1.00 2.14 H new ATOM 0 HH TYR A 150 70.137 -7.287 -2.440 1.00 2.63 H new ATOM 1018 N ASP A 151 70.713 -0.323 -0.650 1.00 0.78 N ATOM 1019 CA ASP A 151 71.321 -0.631 0.676 1.00 0.82 C ATOM 1020 C ASP A 151 70.392 -0.181 1.809 1.00 0.74 C ATOM 1021 O ASP A 151 69.931 -0.980 2.599 1.00 0.76 O ATOM 1022 CB ASP A 151 72.630 0.159 0.703 1.00 0.87 C ATOM 1023 CG ASP A 151 73.421 -0.120 -0.578 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.159 -1.091 -0.594 1.00 1.67 O ATOM 1025 OD2 ASP A 151 73.274 0.642 -1.519 1.00 2.08 O ATOM 0 H ASP A 151 71.080 0.508 -1.113 1.00 0.78 H new ATOM 0 HA ASP A 151 71.487 -1.699 0.815 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.422 1.225 0.790 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.219 -0.123 1.576 1.00 0.87 H new ATOM 1030 N GLU A 152 70.115 1.091 1.895 1.00 0.67 N ATOM 1031 CA GLU A 152 69.218 1.587 2.980 1.00 0.61 C ATOM 1032 C GLU A 152 67.866 0.869 2.922 1.00 0.58 C ATOM 1033 O GLU A 152 67.180 0.738 3.917 1.00 0.58 O ATOM 1034 CB GLU A 152 69.045 3.080 2.697 1.00 0.59 C ATOM 1035 CG GLU A 152 70.421 3.734 2.550 1.00 0.76 C ATOM 1036 CD GLU A 152 70.295 5.242 2.772 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.407 5.642 3.507 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.090 5.973 2.204 1.00 1.20 O ATOM 0 H GLU A 152 70.470 1.808 1.263 1.00 0.67 H new ATOM 0 HA GLU A 152 69.630 1.404 3.972 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.463 3.223 1.787 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.490 3.553 3.508 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.118 3.306 3.271 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.826 3.534 1.558 1.00 0.76 H new ATOM 1045 N PHE A 153 67.478 0.406 1.766 1.00 0.60 N ATOM 1046 CA PHE A 153 66.170 -0.303 1.648 1.00 0.61 C ATOM 1047 C PHE A 153 66.255 -1.686 2.298 1.00 0.66 C ATOM 1048 O PHE A 153 65.285 -2.198 2.821 1.00 0.71 O ATOM 1049 CB PHE A 153 65.926 -0.430 0.144 1.00 0.64 C ATOM 1050 CG PHE A 153 64.758 -1.354 -0.103 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.962 -2.737 -0.171 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.472 -0.827 -0.268 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.879 -3.594 -0.402 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.388 -1.684 -0.499 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.592 -3.067 -0.566 1.00 0.93 C ATOM 0 H PHE A 153 68.008 0.487 0.898 1.00 0.60 H new ATOM 0 HA PHE A 153 65.363 0.232 2.149 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.724 0.551 -0.286 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.819 -0.816 -0.348 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.955 -3.143 -0.045 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.315 0.240 -0.217 1.00 1.18 H new ATOM 0 HE1 PHE A 153 64.036 -4.661 -0.454 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.395 -1.278 -0.625 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.757 -3.728 -0.744 1.00 0.93 H new ATOM 1065 N LEU A 154 67.408 -2.294 2.266 1.00 0.72 N ATOM 1066 CA LEU A 154 67.557 -3.644 2.881 1.00 0.80 C ATOM 1067 C LEU A 154 67.173 -3.600 4.362 1.00 0.79 C ATOM 1068 O LEU A 154 66.713 -4.574 4.923 1.00 0.82 O ATOM 1069 CB LEU A 154 69.037 -3.988 2.716 1.00 0.92 C ATOM 1070 CG LEU A 154 69.188 -5.116 1.695 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.302 -6.294 2.103 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.760 -4.612 0.314 1.00 1.54 C ATOM 0 H LEU A 154 68.254 -1.915 1.841 1.00 0.72 H new ATOM 0 HA LEU A 154 66.911 -4.386 2.413 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.591 -3.109 2.387 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.460 -4.291 3.674 1.00 0.92 H new ATOM 0 HG LEU A 154 70.229 -5.438 1.660 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.409 -7.099 1.376 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.603 -6.652 3.087 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.261 -5.972 2.137 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.867 -5.415 -0.416 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.719 -4.291 0.350 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.389 -3.771 0.023 1.00 1.54 H new ATOM 1084 N GLU A 155 67.359 -2.477 4.999 1.00 0.79 N ATOM 1085 CA GLU A 155 67.004 -2.371 6.445 1.00 0.82 C ATOM 1086 C GLU A 155 65.534 -1.970 6.602 1.00 0.81 C ATOM 1087 O GLU A 155 64.880 -2.335 7.557 1.00 0.90 O ATOM 1088 CB GLU A 155 67.919 -1.277 6.997 1.00 0.85 C ATOM 1089 CG GLU A 155 68.559 -1.757 8.300 1.00 0.95 C ATOM 1090 CD GLU A 155 69.966 -2.286 8.013 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.070 -3.406 7.538 1.00 2.47 O ATOM 1092 OE2 GLU A 155 70.914 -1.565 8.274 1.00 2.27 O ATOM 0 H GLU A 155 67.741 -1.628 4.582 1.00 0.79 H new ATOM 0 HA GLU A 155 67.133 -3.316 6.972 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.692 -1.033 6.268 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.348 -0.366 7.174 1.00 0.85 H new ATOM 0 HG2 GLU A 155 68.606 -0.938 9.018 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.949 -2.540 8.750 1.00 0.95 H new ATOM 1099 N PHE A 156 65.011 -1.222 5.668 1.00 0.75 N ATOM 1100 CA PHE A 156 63.585 -0.798 5.763 1.00 0.78 C ATOM 1101 C PHE A 156 62.671 -2.024 5.831 1.00 0.84 C ATOM 1102 O PHE A 156 61.920 -2.202 6.769 1.00 0.90 O ATOM 1103 CB PHE A 156 63.323 -0.006 4.482 1.00 0.78 C ATOM 1104 CG PHE A 156 62.027 0.759 4.615 1.00 0.85 C ATOM 1105 CD1 PHE A 156 60.805 0.076 4.593 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.048 2.152 4.760 1.00 1.66 C ATOM 1107 CE1 PHE A 156 59.604 0.786 4.716 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.848 2.861 4.883 1.00 1.77 C ATOM 1109 CZ PHE A 156 59.626 2.178 4.861 1.00 1.10 C ATOM 0 H PHE A 156 65.510 -0.887 4.844 1.00 0.75 H new ATOM 0 HA PHE A 156 63.389 -0.206 6.657 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.146 0.683 4.294 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.272 -0.682 3.629 1.00 0.78 H new ATOM 0 HD1 PHE A 156 60.788 -0.998 4.481 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.991 2.679 4.777 1.00 1.66 H new ATOM 0 HE1 PHE A 156 58.661 0.260 4.699 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.864 3.935 4.995 1.00 1.77 H new ATOM 0 HZ PHE A 156 58.700 2.725 4.956 1.00 1.10 H new ATOM 1119 N MET A 157 62.731 -2.873 4.841 1.00 0.86 N ATOM 1120 CA MET A 157 61.867 -4.087 4.845 1.00 0.95 C ATOM 1121 C MET A 157 62.300 -5.045 5.959 1.00 0.99 C ATOM 1122 O MET A 157 61.613 -5.997 6.273 1.00 1.12 O ATOM 1123 CB MET A 157 62.082 -4.728 3.473 1.00 0.99 C ATOM 1124 CG MET A 157 61.640 -3.754 2.380 1.00 1.28 C ATOM 1125 SD MET A 157 59.894 -3.335 2.615 1.00 1.48 S ATOM 1126 CE MET A 157 59.461 -3.173 0.865 1.00 1.12 C ATOM 0 H MET A 157 63.341 -2.778 4.029 1.00 0.86 H new ATOM 0 HA MET A 157 60.819 -3.847 5.025 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.133 -4.987 3.341 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.514 -5.655 3.400 1.00 0.99 H new ATOM 0 HG2 MET A 157 62.250 -2.851 2.414 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.789 -4.202 1.397 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.380 -3.250 0.749 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.798 -2.205 0.495 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.944 -3.967 0.296 1.00 1.12 H new ATOM 1136 N LYS A 158 63.433 -4.802 6.560 1.00 0.94 N ATOM 1137 CA LYS A 158 63.903 -5.701 7.653 1.00 1.02 C ATOM 1138 C LYS A 158 63.070 -5.475 8.917 1.00 1.05 C ATOM 1139 O LYS A 158 62.584 -6.407 9.528 1.00 1.20 O ATOM 1140 CB LYS A 158 65.361 -5.307 7.892 1.00 1.07 C ATOM 1141 CG LYS A 158 66.135 -6.511 8.430 1.00 1.26 C ATOM 1142 CD LYS A 158 67.271 -6.860 7.466 1.00 1.53 C ATOM 1143 CE LYS A 158 66.852 -8.043 6.590 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.610 -9.205 7.128 1.00 2.07 N ATOM 0 H LYS A 158 64.053 -4.022 6.342 1.00 0.94 H new ATOM 0 HA LYS A 158 63.805 -6.755 7.393 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.811 -4.958 6.963 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.414 -4.481 8.601 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.538 -6.286 9.417 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.467 -7.364 8.545 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.510 -5.999 6.842 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.173 -7.109 8.025 1.00 1.53 H new ATOM 0 HE2 LYS A 158 65.777 -8.213 6.644 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.094 -7.864 5.542 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 67.376 -10.056 6.579 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.630 -9.017 7.057 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.354 -9.355 8.125 1.00 2.07 H new