USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 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 -142:sc= -0.293 (180deg=-1.78!) USER MOD Set 1.2: A 157 MET CE :methyl 177:sc= -0.0236 (180deg=0) USER MOD Single : A 98 SER OG : rot -104:sc= 0.188 USER MOD Single : A 103 MET CE :methyl -150:sc= -3.34! (180deg=-4.81!) USER MOD Single : A 106 LYS NZ :NH3+ 150:sc= -0.92 (180deg=-1.58!) USER MOD Single : A 107 ASN : amide:sc= -6.76! C(o=-6.8!,f=-7.7!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= -1.51 (180deg=-2.86!) USER MOD Single : A 122 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.31) USER MOD Single : A 129 THR OG1 : rot -34:sc= 0.0366 USER MOD Single : A 137 MET CE :methyl -154:sc= -0.402 (180deg=-1.99!) USER MOD Single : A 138 LYS NZ :NH3+ -174:sc= -0.0241 (180deg=-0.0869) USER MOD Single : A 142 LYS NZ :NH3+ -144:sc= 0.458 (180deg=0.0464) USER MOD Single : A 143 ASN : amide:sc= -3.74! C(o=-3.7!,f=-14!) USER MOD Single : A 144 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.43) USER MOD Single : A 150 TYR OH : rot 85:sc= -5.06! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.612 -11.265 -3.448 1.00 1.38 N ATOM 156 CA GLU A 96 63.353 -10.588 -3.869 1.00 1.34 C ATOM 157 C GLU A 96 63.377 -9.117 -3.441 1.00 1.16 C ATOM 158 O GLU A 96 62.944 -8.243 -4.165 1.00 1.07 O ATOM 159 CB GLU A 96 62.236 -11.340 -3.144 1.00 1.51 C ATOM 160 CG GLU A 96 61.762 -12.509 -4.010 1.00 2.07 C ATOM 161 CD GLU A 96 60.977 -11.971 -5.207 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.927 -10.762 -5.364 1.00 2.60 O ATOM 163 OE2 GLU A 96 60.439 -12.778 -5.949 1.00 2.61 O ATOM 0 HA GLU A 96 63.217 -10.603 -4.950 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.595 -11.708 -2.183 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.404 -10.666 -2.937 1.00 1.51 H new ATOM 0 HG2 GLU A 96 62.617 -13.091 -4.354 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.135 -13.180 -3.423 1.00 2.07 H new ATOM 170 N LEU A 97 63.881 -8.839 -2.270 1.00 1.14 N ATOM 171 CA LEU A 97 63.933 -7.424 -1.798 1.00 0.99 C ATOM 172 C LEU A 97 64.551 -6.531 -2.876 1.00 0.82 C ATOM 173 O LEU A 97 64.231 -5.364 -2.989 1.00 0.70 O ATOM 174 CB LEU A 97 64.820 -7.453 -0.553 1.00 1.03 C ATOM 175 CG LEU A 97 64.050 -8.074 0.611 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.026 -8.427 1.736 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.016 -7.074 1.131 1.00 1.71 C ATOM 0 H LEU A 97 64.259 -9.528 -1.620 1.00 1.14 H new ATOM 0 HA LEU A 97 62.942 -7.024 -1.583 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.724 -8.028 -0.752 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.135 -6.442 -0.295 1.00 1.03 H new ATOM 0 HG LEU A 97 63.543 -8.977 0.270 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.478 -8.870 2.567 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.764 -9.139 1.367 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.532 -7.523 2.076 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.467 -7.517 1.962 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.522 -6.171 1.472 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.321 -6.820 0.331 1.00 1.71 H new ATOM 189 N SER A 98 65.435 -7.070 -3.669 1.00 0.87 N ATOM 190 CA SER A 98 66.074 -6.252 -4.741 1.00 0.78 C ATOM 191 C SER A 98 65.066 -5.962 -5.855 1.00 0.75 C ATOM 192 O SER A 98 64.625 -4.843 -6.033 1.00 0.74 O ATOM 193 CB SER A 98 67.218 -7.116 -5.268 1.00 0.93 C ATOM 194 OG SER A 98 66.816 -8.479 -5.269 1.00 1.41 O ATOM 0 H SER A 98 65.743 -8.041 -3.622 1.00 0.87 H new ATOM 0 HA SER A 98 66.426 -5.289 -4.371 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.489 -6.804 -6.277 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.103 -6.987 -4.645 1.00 0.93 H new ATOM 0 HG SER A 98 67.238 -8.945 -4.518 1.00 1.41 H new ATOM 200 N ASP A 99 64.698 -6.963 -6.608 1.00 0.80 N ATOM 201 CA ASP A 99 63.719 -6.746 -7.711 1.00 0.82 C ATOM 202 C ASP A 99 62.554 -5.880 -7.227 1.00 0.77 C ATOM 203 O ASP A 99 61.909 -5.202 -8.003 1.00 0.77 O ATOM 204 CB ASP A 99 63.228 -8.145 -8.084 1.00 0.93 C ATOM 205 CG ASP A 99 63.679 -8.484 -9.505 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.974 -8.118 -10.431 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.721 -9.102 -9.644 1.00 2.18 O ATOM 0 H ASP A 99 65.033 -7.921 -6.507 1.00 0.80 H new ATOM 0 HA ASP A 99 64.164 -6.229 -8.561 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.622 -8.879 -7.381 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.141 -8.190 -8.016 1.00 0.93 H new ATOM 212 N LEU A 100 62.281 -5.894 -5.952 1.00 0.77 N ATOM 213 CA LEU A 100 61.156 -5.069 -5.423 1.00 0.77 C ATOM 214 C LEU A 100 61.530 -3.586 -5.447 1.00 0.64 C ATOM 215 O LEU A 100 60.812 -2.764 -5.984 1.00 0.64 O ATOM 216 CB LEU A 100 60.955 -5.546 -3.985 1.00 0.85 C ATOM 217 CG LEU A 100 60.205 -6.878 -3.988 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.913 -7.303 -2.547 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.886 -6.719 -4.748 1.00 1.57 C ATOM 0 H LEU A 100 62.786 -6.439 -5.254 1.00 0.77 H new ATOM 0 HA LEU A 100 60.250 -5.178 -6.019 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.920 -5.661 -3.491 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.394 -4.802 -3.419 1.00 0.85 H new ATOM 0 HG LEU A 100 60.817 -7.638 -4.475 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.378 -8.253 -2.549 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.851 -7.416 -2.004 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.301 -6.543 -2.060 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.351 -7.669 -4.750 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.275 -5.959 -4.261 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.092 -6.416 -5.775 1.00 1.57 H new ATOM 231 N PHE A 101 62.647 -3.235 -4.871 1.00 0.60 N ATOM 232 CA PHE A 101 63.063 -1.802 -4.863 1.00 0.53 C ATOM 233 C PHE A 101 62.897 -1.195 -6.259 1.00 0.49 C ATOM 234 O PHE A 101 62.458 -0.072 -6.410 1.00 0.61 O ATOM 235 CB PHE A 101 64.537 -1.820 -4.457 1.00 0.57 C ATOM 236 CG PHE A 101 65.073 -0.408 -4.442 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.345 0.250 -5.647 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.300 0.241 -3.222 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.845 1.558 -5.632 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.799 1.549 -3.208 1.00 1.30 C ATOM 241 CZ PHE A 101 66.073 2.207 -4.413 1.00 0.40 C ATOM 0 H PHE A 101 63.289 -3.877 -4.406 1.00 0.60 H new ATOM 0 HA PHE A 101 62.460 -1.201 -4.182 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.648 -2.273 -3.472 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.110 -2.430 -5.155 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.169 -0.251 -6.588 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.090 -0.267 -2.292 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.055 2.066 -6.562 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.973 2.051 -2.267 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.460 3.215 -4.402 1.00 0.40 H new ATOM 251 N ARG A 102 63.243 -1.929 -7.281 1.00 0.53 N ATOM 252 CA ARG A 102 63.103 -1.390 -8.665 1.00 0.70 C ATOM 253 C ARG A 102 61.647 -1.487 -9.127 1.00 0.80 C ATOM 254 O ARG A 102 61.161 -0.647 -9.860 1.00 1.09 O ATOM 255 CB ARG A 102 64.000 -2.279 -9.527 1.00 0.87 C ATOM 256 CG ARG A 102 64.209 -1.620 -10.892 1.00 1.28 C ATOM 257 CD ARG A 102 65.708 -1.502 -11.176 1.00 1.83 C ATOM 258 NE ARG A 102 65.805 -0.563 -12.328 1.00 2.26 N ATOM 259 CZ ARG A 102 66.900 0.120 -12.521 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.048 -0.365 -12.132 1.00 3.68 N ATOM 261 NH2 ARG A 102 66.848 1.287 -13.101 1.00 3.22 N ATOM 0 H ARG A 102 63.616 -2.876 -7.219 1.00 0.53 H new ATOM 0 HA ARG A 102 63.386 -0.339 -8.730 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.960 -2.432 -9.034 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.545 -3.262 -9.651 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.726 -2.210 -11.671 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.746 -0.633 -10.906 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.246 -1.120 -10.308 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.142 -2.472 -11.419 1.00 1.83 H new ATOM 0 HE ARG A 102 65.016 -0.454 -12.965 1.00 2.26 H new ATOM 0 HH11 ARG A 102 68.089 -1.277 -11.678 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.904 0.168 -12.283 1.00 3.68 H new ATOM 0 HH21 ARG A 102 65.951 1.666 -13.404 1.00 3.22 H new ATOM 0 HH22 ARG A 102 67.704 1.820 -13.252 1.00 3.22 H new ATOM 275 N MET A 103 60.947 -2.504 -8.705 1.00 0.68 N ATOM 276 CA MET A 103 59.522 -2.651 -9.122 1.00 0.81 C ATOM 277 C MET A 103 58.643 -1.654 -8.361 1.00 0.79 C ATOM 278 O MET A 103 57.479 -1.479 -8.667 1.00 0.90 O ATOM 279 CB MET A 103 59.148 -4.087 -8.750 1.00 0.91 C ATOM 280 CG MET A 103 58.991 -4.922 -10.022 1.00 1.35 C ATOM 281 SD MET A 103 57.914 -6.338 -9.683 1.00 1.92 S ATOM 282 CE MET A 103 58.703 -6.857 -8.140 1.00 1.63 C ATOM 0 H MET A 103 61.298 -3.239 -8.091 1.00 0.68 H new ATOM 0 HA MET A 103 59.380 -2.454 -10.185 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.918 -4.520 -8.111 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.219 -4.096 -8.180 1.00 0.91 H new ATOM 0 HG2 MET A 103 58.568 -4.312 -10.820 1.00 1.35 H new ATOM 0 HG3 MET A 103 59.966 -5.267 -10.367 1.00 1.35 H new ATOM 0 HE1 MET A 103 58.597 -7.935 -8.022 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.761 -6.597 -8.167 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.227 -6.352 -7.300 1.00 1.63 H new ATOM 292 N PHE A 104 59.189 -0.998 -7.374 1.00 0.71 N ATOM 293 CA PHE A 104 58.384 -0.013 -6.596 1.00 0.75 C ATOM 294 C PHE A 104 58.935 1.400 -6.805 1.00 0.68 C ATOM 295 O PHE A 104 58.369 2.371 -6.344 1.00 0.80 O ATOM 296 CB PHE A 104 58.541 -0.435 -5.134 1.00 0.76 C ATOM 297 CG PHE A 104 57.433 -1.391 -4.760 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.117 -0.926 -4.632 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.722 -2.743 -4.540 1.00 1.67 C ATOM 300 CE1 PHE A 104 55.092 -1.813 -4.284 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.695 -3.631 -4.192 1.00 1.90 C ATOM 302 CZ PHE A 104 55.381 -3.166 -4.065 1.00 1.76 C ATOM 0 H PHE A 104 60.158 -1.101 -7.072 1.00 0.71 H new ATOM 0 HA PHE A 104 57.339 0.001 -6.906 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.511 -0.910 -4.984 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.512 0.442 -4.487 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.894 0.117 -4.802 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.736 -3.102 -4.638 1.00 1.67 H new ATOM 0 HE1 PHE A 104 54.078 -1.454 -4.184 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.918 -4.674 -4.022 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.590 -3.851 -3.798 1.00 1.76 H new ATOM 312 N ASP A 105 60.034 1.523 -7.497 1.00 0.58 N ATOM 313 CA ASP A 105 60.619 2.874 -7.733 1.00 0.52 C ATOM 314 C ASP A 105 59.757 3.654 -8.729 1.00 0.52 C ATOM 315 O ASP A 105 60.033 3.685 -9.911 1.00 0.60 O ATOM 316 CB ASP A 105 62.010 2.612 -8.313 1.00 0.60 C ATOM 317 CG ASP A 105 62.913 3.818 -8.040 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.488 4.698 -7.311 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.014 3.840 -8.568 1.00 0.54 O ATOM 0 H ASP A 105 60.552 0.747 -7.909 1.00 0.58 H new ATOM 0 HA ASP A 105 60.667 3.468 -6.821 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.439 1.715 -7.866 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.940 2.432 -9.386 1.00 0.60 H new ATOM 324 N LYS A 106 58.715 4.284 -8.258 1.00 0.51 N ATOM 325 CA LYS A 106 57.839 5.060 -9.179 1.00 0.60 C ATOM 326 C LYS A 106 58.669 6.094 -9.944 1.00 0.59 C ATOM 327 O LYS A 106 58.500 6.280 -11.132 1.00 0.70 O ATOM 328 CB LYS A 106 56.819 5.750 -8.272 1.00 0.63 C ATOM 329 CG LYS A 106 55.820 4.715 -7.751 1.00 1.39 C ATOM 330 CD LYS A 106 54.792 4.401 -8.841 1.00 1.58 C ATOM 331 CE LYS A 106 55.253 3.182 -9.641 1.00 2.00 C ATOM 332 NZ LYS A 106 55.394 3.671 -11.040 1.00 2.79 N ATOM 0 H LYS A 106 58.434 4.294 -7.278 1.00 0.51 H new ATOM 0 HA LYS A 106 57.355 4.427 -9.923 1.00 0.60 H new ATOM 0 HB2 LYS A 106 57.327 6.234 -7.438 1.00 0.63 H new ATOM 0 HB3 LYS A 106 56.296 6.531 -8.823 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.343 3.805 -7.457 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.318 5.095 -6.861 1.00 1.39 H new ATOM 0 HD2 LYS A 106 53.818 4.207 -8.392 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.673 5.259 -9.502 1.00 1.58 H new ATOM 0 HE2 LYS A 106 56.198 2.795 -9.261 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.528 2.371 -9.578 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 56.138 3.128 -11.524 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 54.492 3.548 -11.543 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 55.651 4.679 -11.031 1.00 2.79 H new ATOM 346 N ASN A 107 59.569 6.763 -9.274 1.00 0.53 N ATOM 347 CA ASN A 107 60.409 7.777 -9.975 1.00 0.59 C ATOM 348 C ASN A 107 61.462 7.076 -10.838 1.00 0.60 C ATOM 349 O ASN A 107 62.022 7.655 -11.747 1.00 0.71 O ATOM 350 CB ASN A 107 61.076 8.581 -8.861 1.00 0.62 C ATOM 351 CG ASN A 107 62.235 9.395 -9.437 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.232 9.605 -8.777 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.145 9.866 -10.651 1.00 1.67 N ATOM 0 H ASN A 107 59.758 6.652 -8.278 1.00 0.53 H new ATOM 0 HA ASN A 107 59.824 8.414 -10.638 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.349 9.245 -8.393 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.441 7.910 -8.083 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.912 10.410 -11.045 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.307 9.690 -11.206 1.00 1.67 H new ATOM 360 N ALA A 108 61.726 5.829 -10.559 1.00 0.56 N ATOM 361 CA ALA A 108 62.736 5.078 -11.360 1.00 0.62 C ATOM 362 C ALA A 108 63.995 5.925 -11.570 1.00 0.64 C ATOM 363 O ALA A 108 64.325 6.297 -12.678 1.00 0.78 O ATOM 364 CB ALA A 108 62.052 4.799 -12.698 1.00 0.72 C ATOM 0 H ALA A 108 61.285 5.296 -9.809 1.00 0.56 H new ATOM 0 HA ALA A 108 63.053 4.162 -10.861 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.733 4.247 -13.347 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.152 4.208 -12.530 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.783 5.743 -13.173 1.00 0.72 H new ATOM 370 N ASP A 109 64.703 6.226 -10.516 1.00 0.57 N ATOM 371 CA ASP A 109 65.942 7.044 -10.661 1.00 0.63 C ATOM 372 C ASP A 109 67.078 6.439 -9.827 1.00 0.63 C ATOM 373 O ASP A 109 68.165 6.977 -9.758 1.00 0.76 O ATOM 374 CB ASP A 109 65.563 8.438 -10.147 1.00 0.62 C ATOM 375 CG ASP A 109 65.645 8.474 -8.617 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.721 7.997 -7.981 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.635 8.978 -8.109 1.00 1.20 O ATOM 0 H ASP A 109 64.478 5.942 -9.562 1.00 0.57 H new ATOM 0 HA ASP A 109 66.298 7.080 -11.691 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.232 9.186 -10.573 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.554 8.692 -10.471 1.00 0.62 H new ATOM 382 N GLY A 110 66.832 5.325 -9.192 1.00 0.58 N ATOM 383 CA GLY A 110 67.896 4.690 -8.362 1.00 0.62 C ATOM 384 C GLY A 110 67.500 4.766 -6.887 1.00 0.54 C ATOM 385 O GLY A 110 67.685 3.830 -6.134 1.00 0.57 O ATOM 0 H GLY A 110 65.942 4.828 -9.212 1.00 0.58 H new ATOM 0 HA2 GLY A 110 68.034 3.651 -8.660 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.848 5.196 -8.521 1.00 0.62 H new ATOM 389 N TYR A 111 66.955 5.875 -6.469 1.00 0.50 N ATOM 390 CA TYR A 111 66.542 6.015 -5.042 1.00 0.48 C ATOM 391 C TYR A 111 65.045 6.312 -4.958 1.00 0.42 C ATOM 392 O TYR A 111 64.437 6.741 -5.916 1.00 0.52 O ATOM 393 CB TYR A 111 67.347 7.199 -4.509 1.00 0.52 C ATOM 394 CG TYR A 111 68.807 7.001 -4.831 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.304 7.379 -6.083 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.661 6.440 -3.877 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.660 7.195 -6.380 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.016 6.255 -4.172 1.00 1.46 C ATOM 399 CZ TYR A 111 71.516 6.633 -5.425 1.00 0.83 C ATOM 400 OH TYR A 111 72.852 6.452 -5.718 1.00 0.97 O ATOM 0 H TYR A 111 66.777 6.692 -7.054 1.00 0.50 H new ATOM 0 HA TYR A 111 66.724 5.106 -4.468 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.988 8.127 -4.955 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.210 7.290 -3.431 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.643 7.812 -6.819 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.274 6.149 -2.911 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.046 7.487 -7.346 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.676 5.821 -3.435 1.00 1.46 H new ATOM 0 HH TYR A 111 73.305 6.052 -4.946 1.00 0.97 H new ATOM 410 N ILE A 112 64.447 6.092 -3.821 1.00 0.36 N ATOM 411 CA ILE A 112 62.989 6.367 -3.688 1.00 0.32 C ATOM 412 C ILE A 112 62.734 7.400 -2.593 1.00 0.35 C ATOM 413 O ILE A 112 63.295 7.335 -1.517 1.00 0.43 O ATOM 414 CB ILE A 112 62.366 5.033 -3.322 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.842 3.999 -4.350 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.838 5.179 -3.357 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.750 2.967 -4.621 1.00 0.46 C ATOM 0 H ILE A 112 64.902 5.735 -2.981 1.00 0.36 H new ATOM 0 HA ILE A 112 62.566 6.776 -4.605 1.00 0.32 H new ATOM 0 HB ILE A 112 62.659 4.712 -2.323 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.114 4.501 -5.279 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.739 3.500 -3.983 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.375 4.227 -3.096 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.529 5.941 -2.642 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.523 5.473 -4.358 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.108 2.243 -5.353 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.498 2.452 -3.694 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.864 3.469 -5.010 1.00 0.46 H new ATOM 429 N ASP A 113 61.889 8.351 -2.858 1.00 0.36 N ATOM 430 CA ASP A 113 61.593 9.392 -1.829 1.00 0.44 C ATOM 431 C ASP A 113 60.250 9.102 -1.155 1.00 0.44 C ATOM 432 O ASP A 113 59.543 8.190 -1.529 1.00 0.60 O ATOM 433 CB ASP A 113 61.548 10.723 -2.587 1.00 0.56 C ATOM 434 CG ASP A 113 60.717 10.573 -3.862 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.573 10.162 -3.756 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.238 10.874 -4.923 1.00 1.53 O ATOM 0 H ASP A 113 61.388 8.457 -3.740 1.00 0.36 H new ATOM 0 HA ASP A 113 62.345 9.411 -1.040 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.118 11.498 -1.952 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.560 11.042 -2.838 1.00 0.56 H new ATOM 441 N LEU A 114 59.901 9.864 -0.156 1.00 0.47 N ATOM 442 CA LEU A 114 58.608 9.625 0.551 1.00 0.47 C ATOM 443 C LEU A 114 57.434 9.670 -0.432 1.00 0.50 C ATOM 444 O LEU A 114 56.418 9.037 -0.226 1.00 0.52 O ATOM 445 CB LEU A 114 58.499 10.764 1.566 1.00 0.57 C ATOM 446 CG LEU A 114 58.327 10.178 2.968 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.193 11.313 3.985 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.066 9.311 3.002 1.00 1.57 C ATOM 0 H LEU A 114 60.454 10.642 0.203 1.00 0.47 H new ATOM 0 HA LEU A 114 58.578 8.644 1.025 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.392 11.388 1.527 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.652 11.405 1.321 1.00 0.57 H new ATOM 0 HG LEU A 114 59.196 9.570 3.218 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.070 10.894 4.984 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.089 11.933 3.959 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.324 11.922 3.738 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.940 8.891 4.000 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.198 9.921 2.753 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.161 8.502 2.278 1.00 1.57 H new ATOM 460 N GLU A 115 57.561 10.414 -1.497 1.00 0.56 N ATOM 461 CA GLU A 115 56.445 10.496 -2.486 1.00 0.64 C ATOM 462 C GLU A 115 56.284 9.162 -3.220 1.00 0.56 C ATOM 463 O GLU A 115 55.203 8.801 -3.642 1.00 0.61 O ATOM 464 CB GLU A 115 56.861 11.597 -3.461 1.00 0.77 C ATOM 465 CG GLU A 115 56.116 12.889 -3.119 1.00 1.54 C ATOM 466 CD GLU A 115 56.872 13.639 -2.021 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.818 14.334 -2.350 1.00 2.67 O ATOM 468 OE2 GLU A 115 56.491 13.505 -0.869 1.00 2.45 O ATOM 0 H GLU A 115 58.386 10.968 -1.726 1.00 0.56 H new ATOM 0 HA GLU A 115 55.488 10.711 -2.010 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.937 11.760 -3.405 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.637 11.295 -4.484 1.00 0.77 H new ATOM 0 HG2 GLU A 115 56.027 13.515 -4.007 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.103 12.660 -2.787 1.00 1.54 H new ATOM 475 N GLU A 116 57.351 8.431 -3.380 1.00 0.49 N ATOM 476 CA GLU A 116 57.263 7.121 -4.089 1.00 0.45 C ATOM 477 C GLU A 116 56.876 6.009 -3.112 1.00 0.43 C ATOM 478 O GLU A 116 56.080 5.146 -3.425 1.00 0.51 O ATOM 479 CB GLU A 116 58.665 6.879 -4.643 1.00 0.42 C ATOM 480 CG GLU A 116 58.991 7.942 -5.692 1.00 0.94 C ATOM 481 CD GLU A 116 60.484 7.898 -6.010 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.032 6.808 -6.036 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.055 8.953 -6.227 1.00 1.28 O ATOM 0 H GLU A 116 58.283 8.683 -3.050 1.00 0.49 H new ATOM 0 HA GLU A 116 56.506 7.129 -4.873 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.397 6.913 -3.836 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.725 5.885 -5.086 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.410 7.766 -6.597 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.715 8.930 -5.323 1.00 0.94 H new ATOM 490 N LEU A 117 57.432 6.019 -1.932 1.00 0.37 N ATOM 491 CA LEU A 117 57.091 4.960 -0.944 1.00 0.42 C ATOM 492 C LEU A 117 55.598 5.023 -0.617 1.00 0.50 C ATOM 493 O LEU A 117 54.940 4.013 -0.490 1.00 0.58 O ATOM 494 CB LEU A 117 57.929 5.278 0.294 1.00 0.43 C ATOM 495 CG LEU A 117 58.372 3.972 0.958 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.888 3.816 0.820 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.996 4.002 2.441 1.00 1.53 C ATOM 0 H LEU A 117 58.106 6.714 -1.611 1.00 0.37 H new ATOM 0 HA LEU A 117 57.298 3.958 -1.319 1.00 0.42 H new ATOM 0 HB2 LEU A 117 58.800 5.870 0.014 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.348 5.877 0.996 1.00 0.43 H new ATOM 0 HG LEU A 117 57.875 3.132 0.473 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.203 2.886 1.293 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.157 3.795 -0.236 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.386 4.656 1.305 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.311 3.072 2.915 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.493 4.843 2.925 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.916 4.112 2.540 1.00 1.53 H new ATOM 509 N LYS A 118 55.058 6.202 -0.487 1.00 0.52 N ATOM 510 CA LYS A 118 53.605 6.319 -0.177 1.00 0.63 C ATOM 511 C LYS A 118 52.805 5.401 -1.101 1.00 0.71 C ATOM 512 O LYS A 118 51.711 4.978 -0.783 1.00 0.83 O ATOM 513 CB LYS A 118 53.262 7.784 -0.444 1.00 0.68 C ATOM 514 CG LYS A 118 52.213 8.259 0.564 1.00 1.05 C ATOM 515 CD LYS A 118 51.816 9.701 0.247 1.00 1.33 C ATOM 516 CE LYS A 118 52.909 10.652 0.740 1.00 1.49 C ATOM 517 NZ LYS A 118 53.722 10.963 -0.468 1.00 1.82 N ATOM 0 H LYS A 118 55.557 7.087 -0.581 1.00 0.52 H new ATOM 0 HA LYS A 118 53.369 6.029 0.847 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.159 8.398 -0.366 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.883 7.900 -1.460 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.336 7.612 0.524 1.00 1.05 H new ATOM 0 HG3 LYS A 118 52.611 8.195 1.577 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.671 9.822 -0.827 1.00 1.33 H new ATOM 0 HD3 LYS A 118 50.867 9.942 0.726 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.480 11.557 1.171 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.517 10.187 1.516 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.732 10.934 -0.223 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 53.525 10.261 -1.209 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.477 11.912 -0.816 1.00 1.82 H new ATOM 531 N ILE A 119 53.348 5.088 -2.247 1.00 0.72 N ATOM 532 CA ILE A 119 52.628 4.194 -3.197 1.00 0.84 C ATOM 533 C ILE A 119 53.027 2.736 -2.945 1.00 0.86 C ATOM 534 O ILE A 119 52.198 1.847 -2.950 1.00 0.96 O ATOM 535 CB ILE A 119 53.077 4.656 -4.586 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.264 5.885 -4.994 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.853 3.537 -5.607 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.090 6.750 -5.943 1.00 1.08 C ATOM 0 H ILE A 119 54.260 5.414 -2.566 1.00 0.72 H new ATOM 0 HA ILE A 119 51.545 4.246 -3.087 1.00 0.84 H new ATOM 0 HB ILE A 119 54.138 4.906 -4.557 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.338 5.577 -5.479 1.00 1.00 H new ATOM 0 HG13 ILE A 119 51.985 6.460 -4.111 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.175 3.874 -6.592 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.430 2.659 -5.317 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.794 3.281 -5.639 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.511 7.626 -6.234 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.004 7.069 -5.442 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.346 6.173 -6.832 1.00 1.08 H new ATOM 550 N MET A 120 54.287 2.485 -2.720 1.00 0.82 N ATOM 551 CA MET A 120 54.733 1.085 -2.463 1.00 0.92 C ATOM 552 C MET A 120 53.927 0.489 -1.305 1.00 0.92 C ATOM 553 O MET A 120 53.565 -0.670 -1.317 1.00 1.01 O ATOM 554 CB MET A 120 56.211 1.202 -2.088 1.00 0.96 C ATOM 555 CG MET A 120 56.674 -0.091 -1.413 1.00 1.50 C ATOM 556 SD MET A 120 58.479 -0.200 -1.490 1.00 2.13 S ATOM 557 CE MET A 120 58.813 0.346 0.201 1.00 2.73 C ATOM 0 H MET A 120 55.027 3.187 -2.703 1.00 0.82 H new ATOM 0 HA MET A 120 54.586 0.434 -3.325 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.809 1.393 -2.979 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.360 2.048 -1.417 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.342 -0.111 -0.375 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.226 -0.953 -1.908 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.703 0.975 0.211 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.962 0.915 0.574 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.976 -0.523 0.838 1.00 2.73 H new ATOM 567 N LEU A 121 53.639 1.283 -0.310 1.00 0.88 N ATOM 568 CA LEU A 121 52.850 0.778 0.847 1.00 0.96 C ATOM 569 C LEU A 121 51.381 0.651 0.455 1.00 0.99 C ATOM 570 O LEU A 121 50.664 -0.191 0.956 1.00 1.12 O ATOM 571 CB LEU A 121 53.008 1.842 1.926 1.00 0.98 C ATOM 572 CG LEU A 121 54.485 2.218 2.072 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.682 3.028 3.354 1.00 1.51 C ATOM 574 CD2 LEU A 121 55.332 0.946 2.141 1.00 1.81 C ATOM 0 H LEU A 121 53.917 2.262 -0.249 1.00 0.88 H new ATOM 0 HA LEU A 121 53.188 -0.203 1.182 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.423 2.724 1.668 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.622 1.470 2.875 1.00 0.98 H new ATOM 0 HG LEU A 121 54.793 2.815 1.213 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.734 3.295 3.457 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.080 3.935 3.307 1.00 1.51 H new ATOM 0 HD13 LEU A 121 54.373 2.431 4.212 1.00 1.51 H new ATOM 0 HD21 LEU A 121 56.383 1.214 2.245 1.00 1.81 H new ATOM 0 HD22 LEU A 121 55.023 0.349 2.999 1.00 1.81 H new ATOM 0 HD23 LEU A 121 55.194 0.367 1.228 1.00 1.81 H new ATOM 586 N GLN A 122 50.927 1.484 -0.441 1.00 0.95 N ATOM 587 CA GLN A 122 49.505 1.406 -0.872 1.00 1.05 C ATOM 588 C GLN A 122 49.273 0.073 -1.577 1.00 1.12 C ATOM 589 O GLN A 122 48.187 -0.471 -1.564 1.00 1.24 O ATOM 590 CB GLN A 122 49.314 2.571 -1.841 1.00 1.07 C ATOM 591 CG GLN A 122 48.449 3.642 -1.178 1.00 1.49 C ATOM 592 CD GLN A 122 48.874 5.024 -1.677 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.096 5.213 -2.857 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.998 6.003 -0.825 1.00 1.52 N ATOM 0 H GLN A 122 51.479 2.214 -0.892 1.00 0.95 H new ATOM 0 HA GLN A 122 48.805 1.466 -0.039 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.281 2.989 -2.120 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.841 2.222 -2.759 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.398 3.469 -1.408 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.552 3.588 -0.094 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.812 5.844 0.165 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.281 6.928 -1.149 1.00 1.52 H new ATOM 603 N ALA A 123 50.298 -0.462 -2.179 1.00 1.11 N ATOM 604 CA ALA A 123 50.152 -1.770 -2.872 1.00 1.26 C ATOM 605 C ALA A 123 50.048 -2.880 -1.827 1.00 1.39 C ATOM 606 O ALA A 123 49.582 -3.968 -2.100 1.00 1.55 O ATOM 607 CB ALA A 123 51.426 -1.927 -3.702 1.00 1.31 C ATOM 0 H ALA A 123 51.230 -0.049 -2.221 1.00 1.11 H new ATOM 0 HA ALA A 123 49.261 -1.822 -3.498 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.393 -2.872 -4.244 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.501 -1.103 -4.412 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.294 -1.918 -3.042 1.00 1.31 H new ATOM 682 N THR A 129 48.062 7.328 6.116 1.00 1.18 N ATOM 683 CA THR A 129 48.297 8.788 6.301 1.00 1.21 C ATOM 684 C THR A 129 49.799 9.085 6.336 1.00 1.10 C ATOM 685 O THR A 129 50.616 8.190 6.423 1.00 1.04 O ATOM 686 CB THR A 129 47.653 9.126 7.647 1.00 1.37 C ATOM 687 OG1 THR A 129 48.428 8.562 8.695 1.00 1.63 O ATOM 688 CG2 THR A 129 46.235 8.554 7.692 1.00 1.63 C ATOM 0 HA THR A 129 47.877 9.379 5.487 1.00 1.21 H new ATOM 0 HB THR A 129 47.610 10.208 7.770 1.00 1.37 H new ATOM 0 HG1 THR A 129 48.817 7.714 8.394 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.776 8.795 8.651 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.642 8.988 6.887 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.275 7.472 7.570 1.00 1.63 H new ATOM 696 N GLU A 130 50.166 10.335 6.269 1.00 1.13 N ATOM 697 CA GLU A 130 51.613 10.692 6.299 1.00 1.09 C ATOM 698 C GLU A 130 52.175 10.518 7.714 1.00 1.03 C ATOM 699 O GLU A 130 53.340 10.757 7.962 1.00 0.98 O ATOM 700 CB GLU A 130 51.667 12.160 5.875 1.00 1.23 C ATOM 701 CG GLU A 130 51.349 12.272 4.382 1.00 1.68 C ATOM 702 CD GLU A 130 51.810 13.635 3.862 1.00 2.20 C ATOM 703 OE1 GLU A 130 52.919 14.026 4.186 1.00 2.77 O ATOM 704 OE2 GLU A 130 51.048 14.263 3.146 1.00 2.66 O ATOM 0 H GLU A 130 49.526 11.126 6.195 1.00 1.13 H new ATOM 0 HA GLU A 130 52.208 10.056 5.644 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.952 12.744 6.455 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.655 12.572 6.079 1.00 1.23 H new ATOM 0 HG2 GLU A 130 51.848 11.474 3.832 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.278 12.151 4.218 1.00 1.68 H new ATOM 711 N ASP A 131 51.357 10.107 8.643 1.00 1.08 N ATOM 712 CA ASP A 131 51.848 9.922 10.040 1.00 1.10 C ATOM 713 C ASP A 131 52.388 8.501 10.231 1.00 0.95 C ATOM 714 O ASP A 131 53.302 8.274 10.998 1.00 0.88 O ATOM 715 CB ASP A 131 50.623 10.153 10.924 1.00 1.27 C ATOM 716 CG ASP A 131 51.018 10.002 12.394 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.124 8.874 12.845 1.00 2.09 O ATOM 718 OD2 ASP A 131 51.211 11.017 13.042 1.00 2.28 O ATOM 0 H ASP A 131 50.371 9.891 8.497 1.00 1.08 H new ATOM 0 HA ASP A 131 52.662 10.605 10.284 1.00 1.10 H new ATOM 0 HB2 ASP A 131 50.216 11.148 10.746 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.840 9.438 10.672 1.00 1.27 H new ATOM 723 N ASP A 132 51.828 7.543 9.545 1.00 0.96 N ATOM 724 CA ASP A 132 52.311 6.139 9.694 1.00 0.88 C ATOM 725 C ASP A 132 53.427 5.852 8.685 1.00 0.76 C ATOM 726 O ASP A 132 54.245 4.975 8.884 1.00 0.72 O ATOM 727 CB ASP A 132 51.089 5.266 9.404 1.00 0.99 C ATOM 728 CG ASP A 132 50.041 5.473 10.498 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.487 6.557 10.563 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.810 4.542 11.252 1.00 1.95 O ATOM 0 H ASP A 132 51.058 7.670 8.888 1.00 0.96 H new ATOM 0 HA ASP A 132 52.723 5.948 10.685 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.669 5.522 8.431 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.381 4.217 9.360 1.00 0.99 H new ATOM 735 N ILE A 133 53.469 6.585 7.606 1.00 0.78 N ATOM 736 CA ILE A 133 54.534 6.351 6.588 1.00 0.73 C ATOM 737 C ILE A 133 55.795 7.137 6.955 1.00 0.66 C ATOM 738 O ILE A 133 56.896 6.627 6.894 1.00 0.63 O ATOM 739 CB ILE A 133 53.946 6.866 5.275 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.684 6.071 4.934 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.973 6.695 4.154 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.158 6.511 3.566 1.00 0.96 C ATOM 0 H ILE A 133 52.814 7.335 7.385 1.00 0.78 H new ATOM 0 HA ILE A 133 54.820 5.301 6.522 1.00 0.73 H new ATOM 0 HB ILE A 133 53.694 7.921 5.380 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.905 5.004 4.924 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.923 6.232 5.697 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.554 7.062 3.217 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.873 7.261 4.395 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.225 5.640 4.049 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.259 5.945 3.323 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.921 7.575 3.592 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.919 6.327 2.807 1.00 0.96 H new ATOM 754 N GLU A 134 55.641 8.376 7.334 1.00 0.73 N ATOM 755 CA GLU A 134 56.829 9.197 7.704 1.00 0.77 C ATOM 756 C GLU A 134 57.663 8.477 8.768 1.00 0.70 C ATOM 757 O GLU A 134 58.829 8.762 8.954 1.00 0.68 O ATOM 758 CB GLU A 134 56.250 10.496 8.266 1.00 0.96 C ATOM 759 CG GLU A 134 55.728 11.360 7.117 1.00 0.95 C ATOM 760 CD GLU A 134 55.092 12.630 7.683 1.00 1.60 C ATOM 761 OE1 GLU A 134 54.596 12.576 8.796 1.00 2.07 O ATOM 762 OE2 GLU A 134 55.111 13.637 6.993 1.00 2.27 O ATOM 0 H GLU A 134 54.744 8.856 7.404 1.00 0.73 H new ATOM 0 HA GLU A 134 57.488 9.376 6.854 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.443 10.275 8.965 1.00 0.96 H new ATOM 0 HB3 GLU A 134 57.015 11.037 8.823 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.544 11.619 6.442 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.996 10.803 6.533 1.00 0.95 H new ATOM 769 N GLU A 135 57.074 7.548 9.469 1.00 0.74 N ATOM 770 CA GLU A 135 57.834 6.815 10.521 1.00 0.76 C ATOM 771 C GLU A 135 58.700 5.722 9.891 1.00 0.66 C ATOM 772 O GLU A 135 59.795 5.449 10.340 1.00 0.74 O ATOM 773 CB GLU A 135 56.766 6.197 11.424 1.00 0.88 C ATOM 774 CG GLU A 135 56.940 6.719 12.852 1.00 1.20 C ATOM 775 CD GLU A 135 55.596 7.228 13.376 1.00 1.48 C ATOM 776 OE1 GLU A 135 54.926 7.936 12.642 1.00 2.16 O ATOM 777 OE2 GLU A 135 55.261 6.903 14.504 1.00 1.95 O ATOM 0 H GLU A 135 56.100 7.265 9.359 1.00 0.74 H new ATOM 0 HA GLU A 135 58.507 7.471 11.073 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.772 6.447 11.053 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.848 5.110 11.410 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.317 5.926 13.497 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.677 7.522 12.870 1.00 1.20 H new ATOM 784 N LEU A 136 58.218 5.091 8.856 1.00 0.62 N ATOM 785 CA LEU A 136 59.017 4.014 8.203 1.00 0.66 C ATOM 786 C LEU A 136 60.076 4.623 7.280 1.00 0.61 C ATOM 787 O LEU A 136 61.106 4.031 7.029 1.00 0.70 O ATOM 788 CB LEU A 136 58.004 3.198 7.399 1.00 0.77 C ATOM 789 CG LEU A 136 57.177 2.333 8.350 1.00 0.86 C ATOM 790 CD1 LEU A 136 56.296 1.378 7.538 1.00 1.63 C ATOM 791 CD2 LEU A 136 58.113 1.519 9.246 1.00 1.38 C ATOM 0 H LEU A 136 57.307 5.273 8.434 1.00 0.62 H new ATOM 0 HA LEU A 136 59.549 3.398 8.928 1.00 0.66 H new ATOM 0 HB2 LEU A 136 57.351 3.864 6.835 1.00 0.77 H new ATOM 0 HB3 LEU A 136 58.521 2.569 6.674 1.00 0.77 H new ATOM 0 HG LEU A 136 56.548 2.975 8.967 1.00 0.86 H new ATOM 0 HD11 LEU A 136 55.706 0.761 8.216 1.00 1.63 H new ATOM 0 HD12 LEU A 136 55.628 1.955 6.898 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.926 0.738 6.921 1.00 1.63 H new ATOM 0 HD21 LEU A 136 57.523 0.902 9.924 1.00 1.38 H new ATOM 0 HD22 LEU A 136 58.742 0.879 8.628 1.00 1.38 H new ATOM 0 HD23 LEU A 136 58.742 2.195 9.825 1.00 1.38 H new ATOM 803 N MET A 137 59.835 5.802 6.772 1.00 0.55 N ATOM 804 CA MET A 137 60.837 6.440 5.869 1.00 0.59 C ATOM 805 C MET A 137 61.961 7.067 6.696 1.00 0.65 C ATOM 806 O MET A 137 63.128 6.841 6.448 1.00 0.81 O ATOM 807 CB MET A 137 60.065 7.521 5.110 1.00 0.60 C ATOM 808 CG MET A 137 59.189 6.872 4.037 1.00 0.96 C ATOM 809 SD MET A 137 60.229 5.923 2.897 1.00 1.23 S ATOM 810 CE MET A 137 61.345 7.267 2.427 1.00 1.35 C ATOM 0 H MET A 137 58.991 6.349 6.942 1.00 0.55 H new ATOM 0 HA MET A 137 61.298 5.721 5.191 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.446 8.093 5.802 1.00 0.60 H new ATOM 0 HB3 MET A 137 60.761 8.223 4.650 1.00 0.60 H new ATOM 0 HG2 MET A 137 58.451 6.218 4.502 1.00 0.96 H new ATOM 0 HG3 MET A 137 58.638 7.638 3.491 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.756 7.069 1.437 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.795 8.208 2.410 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.158 7.335 3.150 1.00 1.35 H new ATOM 820 N LYS A 138 61.618 7.853 7.680 1.00 0.62 N ATOM 821 CA LYS A 138 62.668 8.491 8.524 1.00 0.79 C ATOM 822 C LYS A 138 63.632 7.425 9.051 1.00 0.86 C ATOM 823 O LYS A 138 64.831 7.514 8.870 1.00 1.16 O ATOM 824 CB LYS A 138 61.904 9.142 9.677 1.00 0.87 C ATOM 825 CG LYS A 138 61.305 10.469 9.207 1.00 1.55 C ATOM 826 CD LYS A 138 61.331 11.477 10.357 1.00 2.07 C ATOM 827 CE LYS A 138 62.575 12.361 10.235 1.00 2.85 C ATOM 828 NZ LYS A 138 63.478 11.905 11.327 1.00 3.36 N ATOM 0 H LYS A 138 60.657 8.081 7.936 1.00 0.62 H new ATOM 0 HA LYS A 138 63.265 9.217 7.971 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.114 8.477 10.025 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.573 9.311 10.521 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.870 10.855 8.358 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.281 10.317 8.866 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.431 12.092 10.335 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.336 10.954 11.313 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.047 12.247 9.259 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.323 13.416 10.346 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 64.308 12.529 11.374 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 62.970 11.936 12.234 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.788 10.931 11.137 1.00 3.36 H new ATOM 842 N ASP A 139 63.117 6.415 9.697 1.00 0.71 N ATOM 843 CA ASP A 139 64.002 5.340 10.231 1.00 0.85 C ATOM 844 C ASP A 139 64.594 4.527 9.076 1.00 0.85 C ATOM 845 O ASP A 139 65.781 4.268 9.031 1.00 1.02 O ATOM 846 CB ASP A 139 63.088 4.464 11.089 1.00 0.97 C ATOM 847 CG ASP A 139 62.707 5.217 12.365 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.676 6.436 12.324 1.00 2.33 O ATOM 849 OD2 ASP A 139 62.451 4.560 13.361 1.00 1.80 O ATOM 0 H ASP A 139 62.121 6.287 9.878 1.00 0.71 H new ATOM 0 HA ASP A 139 64.839 5.738 10.804 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.191 4.199 10.529 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.593 3.532 11.342 1.00 0.97 H new ATOM 854 N GLY A 140 63.776 4.126 8.142 1.00 0.81 N ATOM 855 CA GLY A 140 64.290 3.331 6.990 1.00 0.86 C ATOM 856 C GLY A 140 65.505 4.036 6.388 1.00 0.77 C ATOM 857 O GLY A 140 66.367 3.414 5.799 1.00 0.86 O ATOM 0 H GLY A 140 62.774 4.314 8.126 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.564 2.329 7.319 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.511 3.217 6.236 1.00 0.86 H new ATOM 861 N ASP A 141 65.581 5.330 6.531 1.00 0.70 N ATOM 862 CA ASP A 141 66.742 6.074 5.966 1.00 0.66 C ATOM 863 C ASP A 141 67.968 5.894 6.865 1.00 0.74 C ATOM 864 O ASP A 141 68.130 6.575 7.858 1.00 0.87 O ATOM 865 CB ASP A 141 66.298 7.536 5.939 1.00 0.66 C ATOM 866 CG ASP A 141 65.842 7.903 4.526 1.00 0.76 C ATOM 867 OD1 ASP A 141 65.413 7.012 3.814 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.930 9.070 4.181 1.00 0.83 O ATOM 0 H ASP A 141 64.890 5.904 7.014 1.00 0.70 H new ATOM 0 HA ASP A 141 67.023 5.719 4.975 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.485 7.694 6.648 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.120 8.183 6.247 1.00 0.66 H new ATOM 873 N LYS A 142 68.832 4.976 6.525 1.00 0.75 N ATOM 874 CA LYS A 142 70.046 4.747 7.358 1.00 0.87 C ATOM 875 C LYS A 142 70.899 6.017 7.414 1.00 0.89 C ATOM 876 O LYS A 142 71.797 6.137 8.225 1.00 1.05 O ATOM 877 CB LYS A 142 70.802 3.622 6.651 1.00 0.89 C ATOM 878 CG LYS A 142 72.188 3.467 7.278 1.00 1.24 C ATOM 879 CD LYS A 142 72.623 2.002 7.198 1.00 1.26 C ATOM 880 CE LYS A 142 71.893 1.194 8.274 1.00 1.55 C ATOM 881 NZ LYS A 142 72.616 -0.106 8.333 1.00 1.99 N ATOM 0 H LYS A 142 68.749 4.374 5.705 1.00 0.75 H new ATOM 0 HA LYS A 142 69.798 4.488 8.388 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.247 2.688 6.734 1.00 0.89 H new ATOM 0 HB3 LYS A 142 70.895 3.844 5.588 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.907 4.100 6.758 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.168 3.795 8.317 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.399 1.598 6.210 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.701 1.923 7.338 1.00 1.26 H new ATOM 0 HE2 LYS A 142 71.919 1.704 9.237 1.00 1.55 H new ATOM 0 HE3 LYS A 142 70.843 1.051 8.017 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 71.937 -0.873 8.514 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.098 -0.277 7.427 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.319 -0.078 9.099 1.00 1.99 H new ATOM 895 N ASN A 143 70.628 6.964 6.560 1.00 0.85 N ATOM 896 CA ASN A 143 71.425 8.224 6.568 1.00 1.05 C ATOM 897 C ASN A 143 70.494 9.439 6.597 1.00 1.07 C ATOM 898 O ASN A 143 70.930 10.569 6.509 1.00 1.56 O ATOM 899 CB ASN A 143 72.227 8.195 5.267 1.00 1.08 C ATOM 900 CG ASN A 143 71.268 8.106 4.079 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.086 8.349 4.218 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.730 7.765 2.907 1.00 1.48 N ATOM 0 H ASN A 143 69.890 6.921 5.857 1.00 0.85 H new ATOM 0 HA ASN A 143 72.071 8.298 7.443 1.00 1.05 H new ATOM 0 HB2 ASN A 143 72.841 9.092 5.186 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.906 7.342 5.265 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.099 7.703 2.108 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.722 7.561 2.790 1.00 1.48 H new ATOM 909 N ASN A 144 69.216 9.212 6.721 1.00 0.78 N ATOM 910 CA ASN A 144 68.253 10.351 6.754 1.00 0.82 C ATOM 911 C ASN A 144 68.635 11.392 5.698 1.00 0.82 C ATOM 912 O ASN A 144 69.213 12.416 6.003 1.00 0.92 O ATOM 913 CB ASN A 144 68.379 10.937 8.160 1.00 0.95 C ATOM 914 CG ASN A 144 67.792 9.957 9.177 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.669 9.517 9.035 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.509 9.593 10.205 1.00 1.93 N ATOM 0 H ASN A 144 68.795 8.286 6.801 1.00 0.78 H new ATOM 0 HA ASN A 144 67.232 10.038 6.537 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.426 11.133 8.391 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.856 11.892 8.216 1.00 0.95 H new ATOM 0 HD21 ASN A 144 68.126 8.940 10.888 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.452 9.962 10.325 1.00 1.93 H new ATOM 923 N ASP A 145 68.319 11.136 4.458 1.00 0.75 N ATOM 924 CA ASP A 145 68.668 12.111 3.384 1.00 0.78 C ATOM 925 C ASP A 145 67.432 12.435 2.539 1.00 0.74 C ATOM 926 O ASP A 145 67.499 13.194 1.592 1.00 0.81 O ATOM 927 CB ASP A 145 69.724 11.401 2.537 1.00 0.76 C ATOM 928 CG ASP A 145 69.064 10.284 1.728 1.00 1.12 C ATOM 929 OD1 ASP A 145 67.986 9.859 2.113 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.645 9.871 0.738 1.00 1.85 O ATOM 0 H ASP A 145 67.835 10.296 4.142 1.00 0.75 H new ATOM 0 HA ASP A 145 69.033 13.056 3.786 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.207 12.113 1.867 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.503 10.988 3.179 1.00 0.76 H new ATOM 935 N GLY A 146 66.306 11.869 2.874 1.00 0.69 N ATOM 936 CA GLY A 146 65.071 12.148 2.087 1.00 0.70 C ATOM 937 C GLY A 146 64.819 10.999 1.108 1.00 0.58 C ATOM 938 O GLY A 146 63.711 10.520 0.972 1.00 0.62 O ATOM 0 H GLY A 146 66.187 11.226 3.657 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.219 12.263 2.757 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.178 13.087 1.543 1.00 0.70 H new ATOM 942 N ARG A 147 65.838 10.555 0.425 1.00 0.54 N ATOM 943 CA ARG A 147 65.652 9.437 -0.546 1.00 0.49 C ATOM 944 C ARG A 147 66.162 8.124 0.054 1.00 0.44 C ATOM 945 O ARG A 147 66.806 8.109 1.086 1.00 0.56 O ATOM 946 CB ARG A 147 66.486 9.827 -1.766 1.00 0.57 C ATOM 947 CG ARG A 147 65.657 10.727 -2.685 1.00 0.78 C ATOM 948 CD ARG A 147 66.588 11.670 -3.450 1.00 0.73 C ATOM 949 NE ARG A 147 66.058 13.036 -3.179 1.00 1.07 N ATOM 950 CZ ARG A 147 65.296 13.627 -4.059 1.00 1.60 C ATOM 951 NH1 ARG A 147 64.630 12.916 -4.928 1.00 2.32 N ATOM 952 NH2 ARG A 147 65.200 14.928 -4.071 1.00 2.22 N ATOM 0 H ARG A 147 66.789 10.916 0.496 1.00 0.54 H new ATOM 0 HA ARG A 147 64.603 9.284 -0.801 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.391 10.347 -1.450 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.803 8.933 -2.304 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.082 10.120 -3.384 1.00 0.78 H new ATOM 0 HG3 ARG A 147 64.941 11.302 -2.099 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.618 11.571 -3.108 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.584 11.449 -4.517 1.00 0.73 H new ATOM 0 HE ARG A 147 66.291 13.509 -2.306 1.00 1.07 H new ATOM 0 HH11 ARG A 147 64.705 11.899 -4.919 1.00 2.32 H new ATOM 0 HH12 ARG A 147 64.035 13.378 -5.616 1.00 2.32 H new ATOM 0 HH21 ARG A 147 65.721 15.484 -3.393 1.00 2.22 H new ATOM 0 HH22 ARG A 147 64.604 15.389 -4.759 1.00 2.22 H new ATOM 966 N ILE A 148 65.882 7.023 -0.587 1.00 0.35 N ATOM 967 CA ILE A 148 66.349 5.710 -0.060 1.00 0.36 C ATOM 968 C ILE A 148 67.084 4.940 -1.163 1.00 0.40 C ATOM 969 O ILE A 148 66.788 5.077 -2.332 1.00 0.41 O ATOM 970 CB ILE A 148 65.070 4.980 0.369 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.688 5.428 1.785 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.299 3.464 0.359 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.612 4.496 2.349 1.00 0.40 C ATOM 0 H ILE A 148 65.349 6.976 -1.455 1.00 0.35 H new ATOM 0 HA ILE A 148 67.048 5.811 0.770 1.00 0.36 H new ATOM 0 HB ILE A 148 64.267 5.221 -0.328 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.567 5.417 2.430 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.320 6.454 1.765 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.385 2.956 0.665 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.573 3.144 -0.646 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.103 3.213 1.051 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.343 4.817 3.355 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.730 4.530 1.710 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.996 3.476 2.384 1.00 0.40 H new ATOM 985 N ASP A 149 68.038 4.130 -0.799 1.00 0.47 N ATOM 986 CA ASP A 149 68.787 3.353 -1.828 1.00 0.55 C ATOM 987 C ASP A 149 68.701 1.857 -1.521 1.00 0.58 C ATOM 988 O ASP A 149 67.914 1.429 -0.701 1.00 0.54 O ATOM 989 CB ASP A 149 70.239 3.842 -1.742 1.00 0.65 C ATOM 990 CG ASP A 149 70.610 4.141 -0.286 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.077 5.096 0.256 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.422 3.414 0.260 1.00 2.16 O ATOM 0 H ASP A 149 68.332 3.972 0.165 1.00 0.47 H new ATOM 0 HA ASP A 149 68.378 3.499 -2.828 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.910 3.085 -2.148 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.365 4.739 -2.349 1.00 0.65 H new ATOM 997 N TYR A 150 69.498 1.059 -2.173 1.00 0.67 N ATOM 998 CA TYR A 150 69.454 -0.408 -1.914 1.00 0.73 C ATOM 999 C TYR A 150 69.882 -0.706 -0.474 1.00 0.75 C ATOM 1000 O TYR A 150 69.581 -1.751 0.068 1.00 0.76 O ATOM 1001 CB TYR A 150 70.442 -1.018 -2.908 1.00 0.84 C ATOM 1002 CG TYR A 150 69.716 -2.002 -3.792 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.089 -1.561 -4.964 1.00 1.74 C ATOM 1004 CD2 TYR A 150 69.666 -3.356 -3.438 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.414 -2.475 -5.783 1.00 2.14 C ATOM 1006 CE2 TYR A 150 68.990 -4.269 -4.256 1.00 2.06 C ATOM 1007 CZ TYR A 150 68.364 -3.828 -5.429 1.00 2.02 C ATOM 1008 OH TYR A 150 67.698 -4.728 -6.236 1.00 2.63 O ATOM 0 H TYR A 150 70.177 1.357 -2.873 1.00 0.67 H new ATOM 0 HA TYR A 150 68.451 -0.818 -2.036 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.897 -0.234 -3.514 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.250 -1.518 -2.375 1.00 0.84 H new ATOM 0 HD1 TYR A 150 69.126 -0.517 -5.236 1.00 1.74 H new ATOM 0 HD2 TYR A 150 70.149 -3.696 -2.534 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.932 -2.136 -6.688 1.00 2.14 H new ATOM 0 HE2 TYR A 150 68.951 -5.313 -3.983 1.00 2.06 H new ATOM 0 HH TYR A 150 68.297 -5.033 -6.949 1.00 2.63 H new ATOM 1018 N ASP A 151 70.579 0.203 0.150 1.00 0.78 N ATOM 1019 CA ASP A 151 71.020 -0.029 1.554 1.00 0.82 C ATOM 1020 C ASP A 151 69.921 0.400 2.530 1.00 0.74 C ATOM 1021 O ASP A 151 69.413 -0.395 3.296 1.00 0.76 O ATOM 1022 CB ASP A 151 72.268 0.838 1.727 1.00 0.87 C ATOM 1023 CG ASP A 151 73.517 -0.011 1.485 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.513 -1.163 1.882 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.458 0.509 0.908 1.00 1.67 O ATOM 0 H ASP A 151 70.862 1.097 -0.252 1.00 0.78 H new ATOM 0 HA ASP A 151 71.227 -1.080 1.755 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.243 1.674 1.028 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.293 1.262 2.731 1.00 0.87 H new ATOM 1030 N GLU A 152 69.545 1.651 2.510 1.00 0.67 N ATOM 1031 CA GLU A 152 68.475 2.120 3.438 1.00 0.61 C ATOM 1032 C GLU A 152 67.209 1.278 3.243 1.00 0.58 C ATOM 1033 O GLU A 152 66.446 1.064 4.164 1.00 0.58 O ATOM 1034 CB GLU A 152 68.216 3.578 3.052 1.00 0.59 C ATOM 1035 CG GLU A 152 69.538 4.349 3.042 1.00 0.76 C ATOM 1036 CD GLU A 152 69.249 5.849 3.101 1.00 0.75 C ATOM 1037 OE1 GLU A 152 68.871 6.319 4.162 1.00 1.39 O ATOM 1038 OE2 GLU A 152 69.407 6.504 2.084 1.00 1.20 O ATOM 0 H GLU A 152 69.931 2.366 1.894 1.00 0.67 H new ATOM 0 HA GLU A 152 68.765 2.027 4.484 1.00 0.61 H new ATOM 0 HB2 GLU A 152 67.747 3.627 2.069 1.00 0.59 H new ATOM 0 HB3 GLU A 152 67.523 4.034 3.759 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.152 4.052 3.892 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.104 4.111 2.141 1.00 0.76 H new ATOM 1045 N PHE A 153 66.983 0.799 2.049 1.00 0.60 N ATOM 1046 CA PHE A 153 65.770 -0.032 1.793 1.00 0.61 C ATOM 1047 C PHE A 153 65.964 -1.435 2.370 1.00 0.66 C ATOM 1048 O PHE A 153 65.106 -1.962 3.049 1.00 0.71 O ATOM 1049 CB PHE A 153 65.642 -0.092 0.271 1.00 0.64 C ATOM 1050 CG PHE A 153 64.510 -1.020 -0.101 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.676 -2.405 0.007 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.294 -0.493 -0.551 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.626 -3.265 -0.336 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.244 -1.352 -0.895 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.410 -2.739 -0.788 1.00 0.93 C ATOM 0 H PHE A 153 67.586 0.947 1.240 1.00 0.60 H new ATOM 0 HA PHE A 153 64.877 0.385 2.259 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.456 0.905 -0.129 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.575 -0.443 -0.170 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.614 -2.811 0.355 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.166 0.576 -0.633 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.754 -4.334 -0.252 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.306 -0.946 -1.243 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.600 -3.402 -1.054 1.00 0.93 H new ATOM 1065 N LEU A 154 67.088 -2.044 2.108 1.00 0.72 N ATOM 1066 CA LEU A 154 67.332 -3.410 2.648 1.00 0.80 C ATOM 1067 C LEU A 154 66.945 -3.458 4.127 1.00 0.79 C ATOM 1068 O LEU A 154 66.283 -4.372 4.577 1.00 0.82 O ATOM 1069 CB LEU A 154 68.834 -3.643 2.475 1.00 0.92 C ATOM 1070 CG LEU A 154 69.064 -4.665 1.361 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.324 -5.961 1.697 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.534 -4.103 0.040 1.00 1.54 C ATOM 0 H LEU A 154 67.845 -1.656 1.545 1.00 0.72 H new ATOM 0 HA LEU A 154 66.745 -4.173 2.137 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.333 -2.705 2.232 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.267 -4.002 3.408 1.00 0.92 H new ATOM 0 HG LEU A 154 70.131 -4.870 1.269 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.488 -6.690 0.903 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.699 -6.360 2.639 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.257 -5.758 1.788 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.697 -4.830 -0.756 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.467 -3.900 0.133 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.060 -3.179 -0.199 1.00 1.54 H new ATOM 1084 N GLU A 155 67.346 -2.474 4.884 1.00 0.79 N ATOM 1085 CA GLU A 155 66.993 -2.457 6.332 1.00 0.82 C ATOM 1086 C GLU A 155 65.533 -2.030 6.505 1.00 0.81 C ATOM 1087 O GLU A 155 64.873 -2.405 7.453 1.00 0.90 O ATOM 1088 CB GLU A 155 67.935 -1.427 6.959 1.00 0.85 C ATOM 1089 CG GLU A 155 67.747 -1.421 8.477 1.00 0.95 C ATOM 1090 CD GLU A 155 68.972 -2.047 9.147 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.071 -1.595 8.868 1.00 2.27 O ATOM 1092 OE2 GLU A 155 68.792 -2.967 9.928 1.00 2.47 O ATOM 0 H GLU A 155 67.902 -1.682 4.563 1.00 0.79 H new ATOM 0 HA GLU A 155 67.098 -3.436 6.799 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.969 -1.666 6.711 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.730 -0.437 6.553 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.607 -0.400 8.832 1.00 0.95 H new ATOM 0 HG3 GLU A 155 66.849 -1.978 8.745 1.00 0.95 H new ATOM 1099 N PHE A 156 65.024 -1.249 5.590 1.00 0.75 N ATOM 1100 CA PHE A 156 63.607 -0.801 5.697 1.00 0.78 C ATOM 1101 C PHE A 156 62.691 -2.008 5.919 1.00 0.84 C ATOM 1102 O PHE A 156 62.018 -2.111 6.924 1.00 0.90 O ATOM 1103 CB PHE A 156 63.300 -0.136 4.353 1.00 0.78 C ATOM 1104 CG PHE A 156 62.054 0.707 4.479 1.00 0.85 C ATOM 1105 CD1 PHE A 156 60.805 0.092 4.637 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.145 2.104 4.438 1.00 1.66 C ATOM 1107 CE1 PHE A 156 59.650 0.874 4.753 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.990 2.885 4.555 1.00 1.77 C ATOM 1109 CZ PHE A 156 59.743 2.270 4.713 1.00 1.10 C ATOM 0 H PHE A 156 65.529 -0.903 4.774 1.00 0.75 H new ATOM 0 HA PHE A 156 63.449 -0.121 6.534 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.141 0.484 4.042 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.162 -0.895 3.583 1.00 0.78 H new ATOM 0 HD1 PHE A 156 60.734 -0.985 4.669 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.107 2.579 4.316 1.00 1.66 H new ATOM 0 HE1 PHE A 156 58.687 0.400 4.873 1.00 1.31 H new ATOM 0 HE2 PHE A 156 61.061 3.962 4.523 1.00 1.77 H new ATOM 0 HZ PHE A 156 58.852 2.873 4.804 1.00 1.10 H new ATOM 1119 N MET A 157 62.662 -2.921 4.987 1.00 0.86 N ATOM 1120 CA MET A 157 61.788 -4.120 5.146 1.00 0.95 C ATOM 1121 C MET A 157 62.385 -5.085 6.176 1.00 0.99 C ATOM 1122 O MET A 157 61.757 -6.045 6.577 1.00 1.12 O ATOM 1123 CB MET A 157 61.753 -4.770 3.762 1.00 0.99 C ATOM 1124 CG MET A 157 60.350 -4.631 3.169 1.00 1.28 C ATOM 1125 SD MET A 157 60.415 -4.943 1.387 1.00 1.48 S ATOM 1126 CE MET A 157 59.273 -3.632 0.886 1.00 1.12 C ATOM 0 H MET A 157 63.204 -2.890 4.124 1.00 0.86 H new ATOM 0 HA MET A 157 60.792 -3.857 5.501 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.485 -4.296 3.107 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.026 -5.823 3.836 1.00 0.99 H new ATOM 0 HG2 MET A 157 59.670 -5.335 3.648 1.00 1.28 H new ATOM 0 HG3 MET A 157 59.960 -3.631 3.360 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.203 -3.606 -0.201 1.00 1.12 H new ATOM 0 HE2 MET A 157 58.287 -3.827 1.308 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.640 -2.672 1.249 1.00 1.12 H new ATOM 1136 N LYS A 158 63.593 -4.840 6.606 1.00 0.94 N ATOM 1137 CA LYS A 158 64.227 -5.747 7.607 1.00 1.02 C ATOM 1138 C LYS A 158 63.430 -5.736 8.916 1.00 1.05 C ATOM 1139 O LYS A 158 63.273 -6.751 9.565 1.00 1.20 O ATOM 1140 CB LYS A 158 65.628 -5.177 7.829 1.00 1.07 C ATOM 1141 CG LYS A 158 66.420 -6.112 8.743 1.00 1.26 C ATOM 1142 CD LYS A 158 67.692 -6.569 8.027 1.00 1.53 C ATOM 1143 CE LYS A 158 67.342 -7.657 7.010 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.580 -8.942 7.724 1.00 2.07 N ATOM 0 H LYS A 158 64.168 -4.052 6.308 1.00 0.94 H new ATOM 0 HA LYS A 158 64.257 -6.781 7.263 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.141 -5.064 6.874 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.562 -4.185 8.275 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.676 -5.600 9.671 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.812 -6.975 9.013 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.163 -5.724 7.524 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.412 -6.951 8.751 1.00 1.53 H new ATOM 0 HE2 LYS A 158 66.306 -7.573 6.683 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.965 -7.579 6.119 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 67.361 -9.737 7.090 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.576 -8.997 8.017 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 66.969 -8.991 8.564 1.00 2.07 H new