USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 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 45 ASN : amide:sc= -0.193 X(o=-0.2,f=-0.078) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= -0.0101 USER MOD Set 2.1: A 18 TYR OH : rot -90:sc= 1.05 USER MOD Set 2.2: A 43 TYR OH : rot 166:sc= 1.25 USER MOD Set 3.1: A 36 TYR OH : rot 30:sc= 0.0358 USER MOD Set 3.2: A 41 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.1) USER MOD Set 4.1: A 26 TYR OH : rot -73:sc= 0.0359 USER MOD Set 4.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 90:sc= 1.2 USER MOD Single : A 17 THR OG1 : rot -39:sc= 0.118 USER MOD Single : A 19 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.2) USER MOD Single : A 32 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.16 K(o=0.16,f=-0.53) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 43:sc= 0.0735 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 12.705 8.333 1.861 1.00 0.00 N ATOM 135 CA TYR A 10 13.071 7.018 1.341 1.00 0.00 C ATOM 136 C TYR A 10 13.441 7.141 -0.147 1.00 0.00 C ATOM 137 O TYR A 10 13.103 8.152 -0.778 1.00 0.00 O ATOM 138 CB TYR A 10 11.915 6.028 1.560 1.00 0.00 C ATOM 139 CG TYR A 10 11.821 5.500 2.978 1.00 0.00 C ATOM 140 CD1 TYR A 10 11.097 6.214 3.950 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.480 4.307 3.333 1.00 0.00 C ATOM 142 CE1 TYR A 10 11.016 5.738 5.270 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.419 3.830 4.653 1.00 0.00 C ATOM 144 CZ TYR A 10 11.687 4.545 5.626 1.00 0.00 C ATOM 145 OH TYR A 10 11.629 4.077 6.903 1.00 0.00 O ATOM 0 HA TYR A 10 13.940 6.634 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.976 6.518 1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.035 5.187 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.600 7.134 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.035 3.757 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.444 6.280 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.931 2.918 4.923 1.00 0.00 H new ATOM 0 HH TYR A 10 12.145 3.247 6.971 1.00 0.00 H new ATOM 155 N PRO A 11 14.129 6.133 -0.719 1.00 0.00 N ATOM 156 CA PRO A 11 14.322 5.975 -2.161 1.00 0.00 C ATOM 157 C PRO A 11 13.011 5.578 -2.858 1.00 0.00 C ATOM 158 O PRO A 11 11.965 5.500 -2.228 1.00 0.00 O ATOM 159 CB PRO A 11 15.390 4.882 -2.306 1.00 0.00 C ATOM 160 CG PRO A 11 15.175 4.026 -1.067 1.00 0.00 C ATOM 161 CD PRO A 11 14.782 5.042 -0.005 1.00 0.00 C ATOM 0 HA PRO A 11 14.634 6.906 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.257 4.307 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.395 5.302 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.393 3.283 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.079 3.484 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.110 4.599 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.658 5.399 0.537 1.00 0.00 H new ATOM 169 N VAL A 12 13.068 5.304 -4.162 1.00 0.00 N ATOM 170 CA VAL A 12 11.937 4.934 -5.013 1.00 0.00 C ATOM 171 C VAL A 12 11.992 3.421 -5.313 1.00 0.00 C ATOM 172 O VAL A 12 12.732 3.022 -6.217 1.00 0.00 O ATOM 173 CB VAL A 12 11.849 5.840 -6.260 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.585 5.527 -7.074 1.00 0.00 C ATOM 175 CG2 VAL A 12 11.795 7.327 -5.861 1.00 0.00 C ATOM 0 H VAL A 12 13.947 5.336 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 12 10.998 5.110 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 12 12.740 5.646 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.544 6.178 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.609 4.486 -7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.703 5.695 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.733 7.943 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.918 7.505 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.695 7.587 -5.304 1.00 0.00 H new ATOM 185 N PRO A 13 11.403 2.546 -4.474 1.00 0.00 N ATOM 186 CA PRO A 13 11.294 1.113 -4.760 1.00 0.00 C ATOM 187 C PRO A 13 10.285 0.855 -5.902 1.00 0.00 C ATOM 188 O PRO A 13 9.583 1.777 -6.330 1.00 0.00 O ATOM 189 CB PRO A 13 10.817 0.520 -3.433 1.00 0.00 C ATOM 190 CG PRO A 13 9.835 1.588 -2.953 1.00 0.00 C ATOM 191 CD PRO A 13 10.583 2.870 -3.309 1.00 0.00 C ATOM 0 HA PRO A 13 12.229 0.668 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.335 -0.449 -3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.638 0.373 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.873 1.519 -3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.636 1.512 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.887 3.678 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.202 3.205 -2.477 1.00 0.00 H new ATOM 199 N ASP A 14 10.161 -0.392 -6.377 1.00 0.00 N ATOM 200 CA ASP A 14 9.126 -0.801 -7.334 1.00 0.00 C ATOM 201 C ASP A 14 8.882 -2.311 -7.231 1.00 0.00 C ATOM 202 O ASP A 14 9.838 -3.090 -7.239 1.00 0.00 O ATOM 203 CB ASP A 14 9.554 -0.450 -8.772 1.00 0.00 C ATOM 204 CG ASP A 14 8.386 -0.543 -9.756 1.00 0.00 C ATOM 205 OD1 ASP A 14 7.795 -1.634 -9.937 1.00 0.00 O ATOM 206 OD2 ASP A 14 8.017 0.485 -10.373 1.00 0.00 O ATOM 0 H ASP A 14 10.784 -1.152 -6.104 1.00 0.00 H new ATOM 0 HA ASP A 14 8.206 -0.267 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.965 0.559 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.349 -1.125 -9.089 1.00 0.00 H new ATOM 211 N VAL A 15 7.617 -2.745 -7.182 1.00 0.00 N ATOM 212 CA VAL A 15 7.236 -4.161 -7.127 1.00 0.00 C ATOM 213 C VAL A 15 7.838 -5.004 -8.260 1.00 0.00 C ATOM 214 O VAL A 15 8.055 -6.207 -8.093 1.00 0.00 O ATOM 215 CB VAL A 15 5.697 -4.289 -7.022 1.00 0.00 C ATOM 216 CG1 VAL A 15 4.957 -3.712 -8.239 1.00 0.00 C ATOM 217 CG2 VAL A 15 5.222 -5.727 -6.786 1.00 0.00 C ATOM 0 H VAL A 15 6.817 -2.112 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 15 7.673 -4.586 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 15 5.445 -3.693 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.882 -3.833 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.193 -2.653 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.270 -4.240 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.134 -5.745 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.548 -6.358 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.646 -6.102 -5.855 1.00 0.00 H new ATOM 227 N SER A 16 8.173 -4.399 -9.399 1.00 0.00 N ATOM 228 CA SER A 16 8.752 -5.083 -10.548 1.00 0.00 C ATOM 229 C SER A 16 10.111 -5.725 -10.240 1.00 0.00 C ATOM 230 O SER A 16 10.555 -6.584 -11.011 1.00 0.00 O ATOM 231 CB SER A 16 8.874 -4.099 -11.711 1.00 0.00 C ATOM 232 OG SER A 16 7.638 -3.436 -11.907 1.00 0.00 O ATOM 0 H SER A 16 8.046 -3.398 -9.549 1.00 0.00 H new ATOM 0 HA SER A 16 8.083 -5.901 -10.817 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.659 -3.372 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.162 -4.628 -12.619 1.00 0.00 H new ATOM 0 HG SER A 16 7.614 -2.621 -11.363 1.00 0.00 H new ATOM 238 N THR A 17 10.751 -5.378 -9.119 1.00 0.00 N ATOM 239 CA THR A 17 12.003 -5.974 -8.679 1.00 0.00 C ATOM 240 C THR A 17 11.867 -6.638 -7.294 1.00 0.00 C ATOM 241 O THR A 17 12.882 -7.046 -6.723 1.00 0.00 O ATOM 242 CB THR A 17 13.129 -4.930 -8.842 1.00 0.00 C ATOM 243 OG1 THR A 17 14.398 -5.549 -8.803 1.00 0.00 O ATOM 244 CG2 THR A 17 13.106 -3.774 -7.839 1.00 0.00 C ATOM 0 H THR A 17 10.401 -4.660 -8.484 1.00 0.00 H new ATOM 0 HA THR A 17 12.286 -6.817 -9.310 1.00 0.00 H new ATOM 0 HB THR A 17 12.938 -4.485 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.396 -6.258 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.938 -3.100 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.166 -3.230 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.197 -4.168 -6.827 1.00 0.00 H new ATOM 252 N TYR A 18 10.653 -6.789 -6.746 1.00 0.00 N ATOM 253 CA TYR A 18 10.427 -7.613 -5.561 1.00 0.00 C ATOM 254 C TYR A 18 10.520 -9.085 -5.934 1.00 0.00 C ATOM 255 O TYR A 18 10.211 -9.477 -7.065 1.00 0.00 O ATOM 256 CB TYR A 18 9.051 -7.329 -4.944 1.00 0.00 C ATOM 257 CG TYR A 18 8.869 -5.954 -4.333 1.00 0.00 C ATOM 258 CD1 TYR A 18 9.950 -5.063 -4.204 1.00 0.00 C ATOM 259 CD2 TYR A 18 7.583 -5.536 -3.947 1.00 0.00 C ATOM 260 CE1 TYR A 18 9.730 -3.737 -3.818 1.00 0.00 C ATOM 261 CE2 TYR A 18 7.348 -4.199 -3.584 1.00 0.00 C ATOM 262 CZ TYR A 18 8.425 -3.281 -3.542 1.00 0.00 C ATOM 263 OH TYR A 18 8.229 -1.966 -3.254 1.00 0.00 O ATOM 0 H TYR A 18 9.810 -6.346 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 18 11.193 -7.367 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.293 -7.465 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.859 -8.076 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.955 -5.405 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.771 -6.247 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.565 -3.058 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.348 -3.873 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 18 8.309 -1.827 -2.287 1.00 0.00 H new ATOM 273 N GLN A 19 10.897 -9.905 -4.961 1.00 0.00 N ATOM 274 CA GLN A 19 10.921 -11.355 -5.108 1.00 0.00 C ATOM 275 C GLN A 19 9.549 -11.899 -4.751 1.00 0.00 C ATOM 276 O GLN A 19 9.131 -11.761 -3.606 1.00 0.00 O ATOM 277 CB GLN A 19 11.978 -11.973 -4.194 1.00 0.00 C ATOM 278 CG GLN A 19 13.378 -11.769 -4.771 1.00 0.00 C ATOM 279 CD GLN A 19 14.419 -12.219 -3.766 1.00 0.00 C ATOM 280 OE1 GLN A 19 14.624 -13.416 -3.574 1.00 0.00 O ATOM 281 NE2 GLN A 19 15.046 -11.288 -3.072 1.00 0.00 N ATOM 0 H GLN A 19 11.197 -9.581 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 19 11.172 -11.611 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.918 -11.522 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.782 -13.038 -4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.485 -12.334 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.529 -10.718 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.856 -10.302 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.721 -11.554 -2.355 1.00 0.00 H new ATOM 290 N TYR A 20 8.842 -12.497 -5.705 1.00 0.00 N ATOM 291 CA TYR A 20 7.641 -13.249 -5.382 1.00 0.00 C ATOM 292 C TYR A 20 7.998 -14.488 -4.558 1.00 0.00 C ATOM 293 O TYR A 20 9.047 -15.101 -4.783 1.00 0.00 O ATOM 294 CB TYR A 20 6.938 -13.649 -6.672 1.00 0.00 C ATOM 295 CG TYR A 20 5.657 -14.414 -6.437 1.00 0.00 C ATOM 296 CD1 TYR A 20 4.513 -13.743 -5.970 1.00 0.00 C ATOM 297 CD2 TYR A 20 5.623 -15.803 -6.647 1.00 0.00 C ATOM 298 CE1 TYR A 20 3.300 -14.442 -5.815 1.00 0.00 C ATOM 299 CE2 TYR A 20 4.426 -16.510 -6.469 1.00 0.00 C ATOM 300 CZ TYR A 20 3.250 -15.830 -6.087 1.00 0.00 C ATOM 301 OH TYR A 20 2.072 -16.510 -6.017 1.00 0.00 O ATOM 0 H TYR A 20 9.079 -12.475 -6.697 1.00 0.00 H new ATOM 0 HA TYR A 20 6.971 -12.628 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.718 -12.752 -7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.613 -14.259 -7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.564 -12.691 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.520 -16.326 -6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.412 -13.921 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.404 -17.578 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 20 2.225 -17.453 -6.236 1.00 0.00 H new ATOM 311 N ASP A 21 7.095 -14.885 -3.670 1.00 0.00 N ATOM 312 CA ASP A 21 7.158 -16.035 -2.803 1.00 0.00 C ATOM 313 C ASP A 21 5.974 -16.916 -3.167 1.00 0.00 C ATOM 314 O ASP A 21 4.826 -16.522 -3.022 1.00 0.00 O ATOM 315 CB ASP A 21 7.168 -15.552 -1.339 1.00 0.00 C ATOM 316 CG ASP A 21 5.922 -15.873 -0.514 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.797 -17.032 -0.070 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.099 -14.981 -0.245 1.00 0.00 O ATOM 0 H ASP A 21 6.231 -14.361 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 21 8.066 -16.626 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.032 -15.990 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.312 -14.472 -1.336 1.00 0.00 H new ATOM 323 N GLU A 22 6.237 -18.090 -3.732 1.00 0.00 N ATOM 324 CA GLU A 22 5.188 -19.042 -4.092 1.00 0.00 C ATOM 325 C GLU A 22 4.712 -19.889 -2.906 1.00 0.00 C ATOM 326 O GLU A 22 3.665 -20.534 -2.985 1.00 0.00 O ATOM 327 CB GLU A 22 5.654 -19.953 -5.233 1.00 0.00 C ATOM 328 CG GLU A 22 7.148 -20.296 -5.322 1.00 0.00 C ATOM 329 CD GLU A 22 7.383 -21.649 -6.014 1.00 0.00 C ATOM 330 OE1 GLU A 22 6.719 -21.961 -7.026 1.00 0.00 O ATOM 331 OE2 GLU A 22 8.212 -22.462 -5.537 1.00 0.00 O ATOM 0 H GLU A 22 7.180 -18.409 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 22 4.336 -18.448 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.101 -20.889 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.363 -19.485 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.669 -19.512 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.575 -20.321 -4.320 1.00 0.00 H new ATOM 338 N THR A 23 5.486 -19.908 -1.825 1.00 0.00 N ATOM 339 CA THR A 23 5.186 -20.650 -0.607 1.00 0.00 C ATOM 340 C THR A 23 3.951 -20.072 0.112 1.00 0.00 C ATOM 341 O THR A 23 3.176 -20.848 0.679 1.00 0.00 O ATOM 342 CB THR A 23 6.469 -20.816 0.241 1.00 0.00 C ATOM 343 OG1 THR A 23 6.227 -21.459 1.478 1.00 0.00 O ATOM 344 CG2 THR A 23 7.272 -19.551 0.536 1.00 0.00 C ATOM 0 H THR A 23 6.364 -19.392 -1.772 1.00 0.00 H new ATOM 0 HA THR A 23 4.879 -21.669 -0.842 1.00 0.00 H new ATOM 0 HB THR A 23 7.076 -21.431 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.068 -21.541 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.145 -19.806 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.597 -19.099 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.649 -18.844 1.083 1.00 0.00 H new ATOM 352 N SER A 24 3.688 -18.765 0.036 1.00 0.00 N ATOM 353 CA SER A 24 2.460 -18.134 0.520 1.00 0.00 C ATOM 354 C SER A 24 1.790 -17.252 -0.533 1.00 0.00 C ATOM 355 O SER A 24 0.574 -17.080 -0.451 1.00 0.00 O ATOM 356 CB SER A 24 2.742 -17.291 1.763 1.00 0.00 C ATOM 357 OG SER A 24 3.226 -18.081 2.840 1.00 0.00 O ATOM 0 H SER A 24 4.342 -18.099 -0.375 1.00 0.00 H new ATOM 0 HA SER A 24 1.777 -18.948 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.474 -16.520 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.830 -16.779 2.069 1.00 0.00 H new ATOM 0 HG SER A 24 3.396 -17.507 3.616 1.00 0.00 H new ATOM 363 N GLY A 25 2.516 -16.698 -1.505 1.00 0.00 N ATOM 364 CA GLY A 25 1.932 -15.977 -2.627 1.00 0.00 C ATOM 365 C GLY A 25 2.067 -14.460 -2.518 1.00 0.00 C ATOM 366 O GLY A 25 1.201 -13.762 -3.058 1.00 0.00 O ATOM 0 H GLY A 25 3.535 -16.740 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.408 -16.310 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.876 -16.235 -2.703 1.00 0.00 H new ATOM 370 N TYR A 26 3.056 -13.923 -1.797 1.00 0.00 N ATOM 371 CA TYR A 26 3.266 -12.481 -1.630 1.00 0.00 C ATOM 372 C TYR A 26 4.544 -12.078 -2.374 1.00 0.00 C ATOM 373 O TYR A 26 5.183 -12.895 -3.035 1.00 0.00 O ATOM 374 CB TYR A 26 3.288 -12.106 -0.129 1.00 0.00 C ATOM 375 CG TYR A 26 1.950 -11.734 0.501 1.00 0.00 C ATOM 376 CD1 TYR A 26 0.760 -12.410 0.164 1.00 0.00 C ATOM 377 CD2 TYR A 26 1.902 -10.707 1.465 1.00 0.00 C ATOM 378 CE1 TYR A 26 -0.457 -12.071 0.777 1.00 0.00 C ATOM 379 CE2 TYR A 26 0.699 -10.385 2.114 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.486 -11.068 1.771 1.00 0.00 C ATOM 381 OH TYR A 26 -1.645 -10.781 2.419 1.00 0.00 O ATOM 0 H TYR A 26 3.746 -14.489 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 26 2.439 -11.920 -2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.704 -12.947 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.972 -11.267 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.784 -13.198 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.802 -10.161 1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.368 -12.575 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.681 -9.617 2.873 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.247 -10.299 1.814 1.00 0.00 H new ATOM 391 N TYR A 27 4.902 -10.795 -2.326 1.00 0.00 N ATOM 392 CA TYR A 27 6.103 -10.248 -2.939 1.00 0.00 C ATOM 393 C TYR A 27 6.950 -9.607 -1.842 1.00 0.00 C ATOM 394 O TYR A 27 6.472 -8.716 -1.147 1.00 0.00 O ATOM 395 CB TYR A 27 5.726 -9.193 -3.976 1.00 0.00 C ATOM 396 CG TYR A 27 5.167 -9.721 -5.278 1.00 0.00 C ATOM 397 CD1 TYR A 27 3.787 -9.974 -5.424 1.00 0.00 C ATOM 398 CD2 TYR A 27 6.039 -9.909 -6.367 1.00 0.00 C ATOM 399 CE1 TYR A 27 3.281 -10.375 -6.675 1.00 0.00 C ATOM 400 CE2 TYR A 27 5.536 -10.311 -7.613 1.00 0.00 C ATOM 401 CZ TYR A 27 4.152 -10.527 -7.779 1.00 0.00 C ATOM 402 OH TYR A 27 3.675 -10.848 -9.013 1.00 0.00 O ATOM 0 H TYR A 27 4.345 -10.090 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 27 6.662 -11.041 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.991 -8.521 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.611 -8.596 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.122 -9.861 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.099 -9.743 -6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.225 -10.567 -6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.209 -10.455 -8.446 1.00 0.00 H new ATOM 0 HH TYR A 27 4.420 -10.908 -9.646 1.00 0.00 H new ATOM 412 N TYR A 28 8.197 -10.022 -1.681 1.00 0.00 N ATOM 413 CA TYR A 28 9.132 -9.525 -0.684 1.00 0.00 C ATOM 414 C TYR A 28 9.954 -8.356 -1.244 1.00 0.00 C ATOM 415 O TYR A 28 10.471 -8.431 -2.361 1.00 0.00 O ATOM 416 CB TYR A 28 10.037 -10.687 -0.277 1.00 0.00 C ATOM 417 CG TYR A 28 11.257 -10.252 0.496 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.129 -9.577 1.724 1.00 0.00 C ATOM 419 CD2 TYR A 28 12.522 -10.460 -0.071 1.00 0.00 C ATOM 420 CE1 TYR A 28 12.283 -9.163 2.422 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.666 -10.012 0.593 1.00 0.00 C ATOM 422 CZ TYR A 28 13.561 -9.389 1.852 1.00 0.00 C ATOM 423 OH TYR A 28 14.724 -9.054 2.477 1.00 0.00 O ATOM 0 H TYR A 28 8.604 -10.749 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 28 8.594 -9.147 0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.464 -11.390 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.354 -11.222 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.149 -9.376 2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 28 12.612 -10.966 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.193 -8.678 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.637 -10.144 0.139 1.00 0.00 H new ATOM 0 HH TYR A 28 15.483 -9.299 1.908 1.00 0.00 H new ATOM 433 N ASP A 29 10.093 -7.292 -0.448 1.00 0.00 N ATOM 434 CA ASP A 29 10.841 -6.061 -0.710 1.00 0.00 C ATOM 435 C ASP A 29 12.203 -6.043 -0.006 1.00 0.00 C ATOM 436 O ASP A 29 12.284 -5.592 1.135 1.00 0.00 O ATOM 437 CB ASP A 29 10.078 -4.782 -0.340 1.00 0.00 C ATOM 438 CG ASP A 29 11.006 -3.572 -0.507 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.803 -3.589 -1.466 1.00 0.00 O ATOM 440 OD2 ASP A 29 11.040 -2.693 0.389 1.00 0.00 O ATOM 0 H ASP A 29 9.649 -7.268 0.470 1.00 0.00 H new ATOM 0 HA ASP A 29 10.988 -6.066 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.200 -4.672 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.721 -4.842 0.688 1.00 0.00 H new ATOM 445 N PRO A 30 13.290 -6.559 -0.595 1.00 0.00 N ATOM 446 CA PRO A 30 14.623 -6.399 -0.019 1.00 0.00 C ATOM 447 C PRO A 30 15.144 -4.958 0.039 1.00 0.00 C ATOM 448 O PRO A 30 16.242 -4.738 0.562 1.00 0.00 O ATOM 449 CB PRO A 30 15.538 -7.228 -0.904 1.00 0.00 C ATOM 450 CG PRO A 30 14.821 -7.312 -2.248 1.00 0.00 C ATOM 451 CD PRO A 30 13.342 -7.190 -1.900 1.00 0.00 C ATOM 0 HA PRO A 30 14.590 -6.715 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.517 -6.759 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.702 -8.220 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.138 -6.513 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.034 -8.254 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.814 -6.593 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.864 -8.169 -1.879 1.00 0.00 H new ATOM 459 N GLN A 31 14.451 -3.978 -0.541 1.00 0.00 N ATOM 460 CA GLN A 31 14.854 -2.580 -0.445 1.00 0.00 C ATOM 461 C GLN A 31 14.748 -2.148 1.023 1.00 0.00 C ATOM 462 O GLN A 31 15.733 -1.663 1.589 1.00 0.00 O ATOM 463 CB GLN A 31 14.054 -1.688 -1.418 1.00 0.00 C ATOM 464 CG GLN A 31 14.842 -0.491 -1.968 1.00 0.00 C ATOM 465 CD GLN A 31 15.307 0.477 -0.889 1.00 0.00 C ATOM 466 OE1 GLN A 31 14.563 0.847 0.011 1.00 0.00 O ATOM 467 NE2 GLN A 31 16.561 0.899 -0.920 1.00 0.00 N ATOM 0 H GLN A 31 13.602 -4.131 -1.085 1.00 0.00 H new ATOM 0 HA GLN A 31 15.891 -2.461 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.711 -2.298 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.165 -1.319 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.711 -0.858 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.219 0.046 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.184 0.593 -1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.905 1.530 -0.196 1.00 0.00 H new ATOM 476 N THR A 32 13.601 -2.370 1.666 1.00 0.00 N ATOM 477 CA THR A 32 13.427 -2.109 3.091 1.00 0.00 C ATOM 478 C THR A 32 13.544 -3.399 3.905 1.00 0.00 C ATOM 479 O THR A 32 14.314 -3.454 4.871 1.00 0.00 O ATOM 480 CB THR A 32 12.093 -1.394 3.346 1.00 0.00 C ATOM 481 OG1 THR A 32 10.991 -2.148 2.881 1.00 0.00 O ATOM 482 CG2 THR A 32 12.051 -0.002 2.721 1.00 0.00 C ATOM 0 H THR A 32 12.766 -2.737 1.210 1.00 0.00 H new ATOM 0 HA THR A 32 14.228 -1.448 3.422 1.00 0.00 H new ATOM 0 HB THR A 32 12.019 -1.290 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.871 -1.994 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.087 0.462 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.847 0.611 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.189 -0.083 1.643 1.00 0.00 H new ATOM 490 N GLY A 33 12.789 -4.431 3.532 1.00 0.00 N ATOM 491 CA GLY A 33 12.523 -5.640 4.299 1.00 0.00 C ATOM 492 C GLY A 33 11.019 -5.907 4.455 1.00 0.00 C ATOM 493 O GLY A 33 10.640 -6.788 5.235 1.00 0.00 O ATOM 0 H GLY A 33 12.318 -4.443 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.993 -6.492 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.979 -5.551 5.285 1.00 0.00 H new ATOM 497 N LEU A 34 10.148 -5.124 3.808 1.00 0.00 N ATOM 498 CA LEU A 34 8.693 -5.306 3.805 1.00 0.00 C ATOM 499 C LEU A 34 8.291 -6.492 2.920 1.00 0.00 C ATOM 500 O LEU A 34 9.122 -7.074 2.224 1.00 0.00 O ATOM 501 CB LEU A 34 8.012 -4.019 3.290 1.00 0.00 C ATOM 502 CG LEU A 34 8.146 -2.806 4.228 1.00 0.00 C ATOM 503 CD1 LEU A 34 7.717 -1.535 3.499 1.00 0.00 C ATOM 504 CD2 LEU A 34 7.305 -2.969 5.491 1.00 0.00 C ATOM 0 H LEU A 34 10.447 -4.321 3.255 1.00 0.00 H new ATOM 0 HA LEU A 34 8.368 -5.513 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.438 -3.761 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.953 -4.223 3.129 1.00 0.00 H new ATOM 0 HG LEU A 34 9.193 -2.735 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.814 -0.681 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.351 -1.385 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.679 -1.630 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.428 -2.091 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.255 -3.075 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.630 -3.857 6.033 1.00 0.00 H new ATOM 516 N TYR A 35 7.002 -6.826 2.932 1.00 0.00 N ATOM 517 CA TYR A 35 6.320 -7.634 1.931 1.00 0.00 C ATOM 518 C TYR A 35 5.180 -6.788 1.319 1.00 0.00 C ATOM 519 O TYR A 35 4.842 -5.726 1.846 1.00 0.00 O ATOM 520 CB TYR A 35 5.773 -8.922 2.563 1.00 0.00 C ATOM 521 CG TYR A 35 6.798 -10.023 2.762 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.786 -9.907 3.757 1.00 0.00 C ATOM 523 CD2 TYR A 35 6.742 -11.183 1.967 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.734 -10.931 3.943 1.00 0.00 C ATOM 525 CE2 TYR A 35 7.671 -12.217 2.154 1.00 0.00 C ATOM 526 CZ TYR A 35 8.687 -12.090 3.124 1.00 0.00 C ATOM 527 OH TYR A 35 9.602 -13.091 3.240 1.00 0.00 O ATOM 0 H TYR A 35 6.376 -6.524 3.679 1.00 0.00 H new ATOM 0 HA TYR A 35 7.017 -7.928 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.333 -8.676 3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.969 -9.304 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.817 -9.027 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.979 -11.278 1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.493 -10.836 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.608 -13.113 1.554 1.00 0.00 H new ATOM 0 HH TYR A 35 9.398 -13.797 2.592 1.00 0.00 H new ATOM 537 N TYR A 36 4.565 -7.267 0.238 1.00 0.00 N ATOM 538 CA TYR A 36 3.537 -6.635 -0.591 1.00 0.00 C ATOM 539 C TYR A 36 2.589 -7.739 -1.080 1.00 0.00 C ATOM 540 O TYR A 36 3.013 -8.886 -1.255 1.00 0.00 O ATOM 541 CB TYR A 36 4.241 -5.950 -1.772 1.00 0.00 C ATOM 542 CG TYR A 36 3.346 -5.461 -2.892 1.00 0.00 C ATOM 543 CD1 TYR A 36 2.985 -6.331 -3.935 1.00 0.00 C ATOM 544 CD2 TYR A 36 2.901 -4.129 -2.907 1.00 0.00 C ATOM 545 CE1 TYR A 36 2.198 -5.877 -5.002 1.00 0.00 C ATOM 546 CE2 TYR A 36 2.143 -3.653 -3.996 1.00 0.00 C ATOM 547 CZ TYR A 36 1.777 -4.532 -5.046 1.00 0.00 C ATOM 548 OH TYR A 36 1.036 -4.096 -6.104 1.00 0.00 O ATOM 0 H TYR A 36 4.796 -8.196 -0.113 1.00 0.00 H new ATOM 0 HA TYR A 36 2.963 -5.890 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.805 -5.100 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 36 4.964 -6.649 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.317 -7.358 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.139 -3.470 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.914 -6.558 -5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.841 -2.617 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 36 0.500 -4.837 -6.456 1.00 0.00 H new ATOM 558 N ASP A 37 1.333 -7.397 -1.374 1.00 0.00 N ATOM 559 CA ASP A 37 0.305 -8.318 -1.863 1.00 0.00 C ATOM 560 C ASP A 37 -0.183 -7.801 -3.220 1.00 0.00 C ATOM 561 O ASP A 37 -0.370 -6.592 -3.381 1.00 0.00 O ATOM 562 CB ASP A 37 -0.822 -8.273 -0.825 1.00 0.00 C ATOM 563 CG ASP A 37 -2.146 -8.984 -1.123 1.00 0.00 C ATOM 564 OD1 ASP A 37 -2.587 -9.109 -2.287 1.00 0.00 O ATOM 565 OD2 ASP A 37 -2.876 -9.267 -0.140 1.00 0.00 O ATOM 0 H ASP A 37 0.992 -6.441 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 37 0.665 -9.339 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.429 -8.688 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.049 -7.224 -0.634 1.00 0.00 H new ATOM 570 N PRO A 38 -0.481 -8.678 -4.191 1.00 0.00 N ATOM 571 CA PRO A 38 -0.826 -8.241 -5.533 1.00 0.00 C ATOM 572 C PRO A 38 -2.225 -7.646 -5.686 1.00 0.00 C ATOM 573 O PRO A 38 -2.392 -6.760 -6.528 1.00 0.00 O ATOM 574 CB PRO A 38 -0.666 -9.474 -6.424 1.00 0.00 C ATOM 575 CG PRO A 38 -0.884 -10.625 -5.441 1.00 0.00 C ATOM 576 CD PRO A 38 -0.205 -10.105 -4.184 1.00 0.00 C ATOM 0 HA PRO A 38 -0.168 -7.418 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.397 -9.487 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.321 -9.516 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.943 -10.827 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.433 -11.553 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.604 -10.583 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.867 -10.303 -4.200 1.00 0.00 H new ATOM 584 N ASN A 39 -3.239 -8.095 -4.939 1.00 0.00 N ATOM 585 CA ASN A 39 -4.529 -7.401 -4.971 1.00 0.00 C ATOM 586 C ASN A 39 -4.390 -6.092 -4.211 1.00 0.00 C ATOM 587 O ASN A 39 -4.986 -5.091 -4.601 1.00 0.00 O ATOM 588 CB ASN A 39 -5.661 -8.225 -4.344 1.00 0.00 C ATOM 589 CG ASN A 39 -6.597 -8.825 -5.368 1.00 0.00 C ATOM 590 OD1 ASN A 39 -7.771 -8.478 -5.456 1.00 0.00 O ATOM 591 ND2 ASN A 39 -6.093 -9.769 -6.132 1.00 0.00 N ATOM 0 H ASN A 39 -3.196 -8.908 -4.325 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.792 -7.233 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.229 -9.025 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.232 -7.590 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.682 -10.235 -6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.113 -10.035 -6.035 1.00 0.00 H new ATOM 598 N SER A 40 -3.595 -6.100 -3.143 1.00 0.00 N ATOM 599 CA SER A 40 -3.701 -5.143 -2.060 1.00 0.00 C ATOM 600 C SER A 40 -2.351 -4.474 -1.812 1.00 0.00 C ATOM 601 O SER A 40 -1.570 -4.957 -1.003 1.00 0.00 O ATOM 602 CB SER A 40 -4.234 -5.874 -0.819 1.00 0.00 C ATOM 603 OG SER A 40 -5.533 -6.402 -1.045 1.00 0.00 O ATOM 0 H SER A 40 -2.850 -6.784 -3.010 1.00 0.00 H new ATOM 0 HA SER A 40 -4.398 -4.345 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.553 -6.682 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.261 -5.186 0.026 1.00 0.00 H new ATOM 0 HG SER A 40 -5.844 -6.863 -0.238 1.00 0.00 H new ATOM 609 N GLN A 41 -2.110 -3.317 -2.433 1.00 0.00 N ATOM 610 CA GLN A 41 -0.890 -2.487 -2.341 1.00 0.00 C ATOM 611 C GLN A 41 -0.501 -2.073 -0.905 1.00 0.00 C ATOM 612 O GLN A 41 0.470 -1.348 -0.698 1.00 0.00 O ATOM 613 CB GLN A 41 -1.031 -1.221 -3.203 1.00 0.00 C ATOM 614 CG GLN A 41 -1.049 -1.489 -4.710 1.00 0.00 C ATOM 615 CD GLN A 41 -2.310 -2.205 -5.177 1.00 0.00 C ATOM 616 OE1 GLN A 41 -3.428 -1.798 -4.863 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.154 -3.329 -5.853 1.00 0.00 N ATOM 0 H GLN A 41 -2.802 -2.901 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.088 -3.126 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.951 -0.706 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.206 -0.546 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.958 -0.542 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.179 -2.089 -4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.218 -3.648 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.970 -3.878 -6.125 1.00 0.00 H new ATOM 626 N TYR A 42 -1.284 -2.471 0.091 1.00 0.00 N ATOM 627 CA TYR A 42 -0.981 -2.352 1.496 1.00 0.00 C ATOM 628 C TYR A 42 0.133 -3.345 1.830 1.00 0.00 C ATOM 629 O TYR A 42 -0.089 -4.557 1.836 1.00 0.00 O ATOM 630 CB TYR A 42 -2.268 -2.580 2.296 1.00 0.00 C ATOM 631 CG TYR A 42 -3.387 -1.657 1.848 1.00 0.00 C ATOM 632 CD1 TYR A 42 -3.237 -0.273 2.019 1.00 0.00 C ATOM 633 CD2 TYR A 42 -4.536 -2.151 1.204 1.00 0.00 C ATOM 634 CE1 TYR A 42 -4.229 0.621 1.594 1.00 0.00 C ATOM 635 CE2 TYR A 42 -5.542 -1.265 0.777 1.00 0.00 C ATOM 636 CZ TYR A 42 -5.389 0.128 0.965 1.00 0.00 C ATOM 637 OH TYR A 42 -6.320 1.006 0.512 1.00 0.00 O ATOM 0 H TYR A 42 -2.191 -2.906 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.618 -1.359 1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.586 -3.616 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.069 -2.421 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.342 0.110 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.646 -3.212 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.105 1.683 1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.434 -1.650 0.304 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.061 0.514 0.101 1.00 0.00 H new ATOM 647 N TYR A 43 1.339 -2.822 2.038 1.00 0.00 N ATOM 648 CA TYR A 43 2.536 -3.568 2.387 1.00 0.00 C ATOM 649 C TYR A 43 2.375 -4.196 3.774 1.00 0.00 C ATOM 650 O TYR A 43 1.690 -3.653 4.646 1.00 0.00 O ATOM 651 CB TYR A 43 3.752 -2.624 2.374 1.00 0.00 C ATOM 652 CG TYR A 43 4.250 -2.210 0.997 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.539 -1.273 0.223 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.448 -2.751 0.492 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.015 -0.870 -1.037 1.00 0.00 C ATOM 656 CE2 TYR A 43 5.938 -2.349 -0.762 1.00 0.00 C ATOM 657 CZ TYR A 43 5.224 -1.404 -1.533 1.00 0.00 C ATOM 658 OH TYR A 43 5.689 -1.029 -2.756 1.00 0.00 O ATOM 0 H TYR A 43 1.512 -1.820 1.963 1.00 0.00 H new ATOM 0 HA TYR A 43 2.690 -4.363 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.496 -1.724 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.571 -3.108 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.616 -0.859 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.994 -3.480 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.458 -0.154 -1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.862 -2.763 -1.137 1.00 0.00 H new ATOM 0 HH TYR A 43 6.624 -1.308 -2.850 1.00 0.00 H new ATOM 668 N TYR A 44 3.088 -5.294 4.006 1.00 0.00 N ATOM 669 CA TYR A 44 3.166 -6.000 5.270 1.00 0.00 C ATOM 670 C TYR A 44 4.555 -5.762 5.858 1.00 0.00 C ATOM 671 O TYR A 44 5.580 -5.837 5.183 1.00 0.00 O ATOM 672 CB TYR A 44 2.845 -7.482 5.057 1.00 0.00 C ATOM 673 CG TYR A 44 2.892 -8.346 6.304 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.766 -8.482 7.143 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.080 -9.018 6.625 1.00 0.00 C ATOM 676 CE1 TYR A 44 1.815 -9.327 8.279 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.135 -9.862 7.744 1.00 0.00 C ATOM 678 CZ TYR A 44 3.011 -10.027 8.575 1.00 0.00 C ATOM 679 OH TYR A 44 3.149 -10.771 9.703 1.00 0.00 O ATOM 0 H TYR A 44 3.653 -5.733 3.279 1.00 0.00 H new ATOM 0 HA TYR A 44 2.430 -5.630 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.850 -7.561 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.548 -7.887 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.860 -7.938 6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.956 -8.885 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.948 -9.437 8.914 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.049 -10.391 7.970 1.00 0.00 H new ATOM 0 HH TYR A 44 4.043 -11.173 9.722 1.00 0.00 H new ATOM 689 N ASN A 45 4.563 -5.443 7.140 1.00 0.00 N ATOM 690 CA ASN A 45 5.682 -5.026 7.972 1.00 0.00 C ATOM 691 C ASN A 45 6.004 -6.120 8.982 1.00 0.00 C ATOM 692 O ASN A 45 5.702 -5.971 10.170 1.00 0.00 O ATOM 693 CB ASN A 45 5.283 -3.710 8.637 1.00 0.00 C ATOM 694 CG ASN A 45 6.357 -3.144 9.549 1.00 0.00 C ATOM 695 OD1 ASN A 45 7.526 -3.004 9.189 1.00 0.00 O ATOM 696 ND2 ASN A 45 5.954 -2.747 10.740 1.00 0.00 N ATOM 0 H ASN A 45 3.699 -5.472 7.681 1.00 0.00 H new ATOM 0 HA ASN A 45 6.589 -4.867 7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.050 -2.977 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.372 -3.865 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.616 -2.314 11.384 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.981 -2.873 11.017 1.00 0.00 H new ATOM 703 N ALA A 46 6.619 -7.213 8.507 1.00 0.00 N ATOM 704 CA ALA A 46 6.872 -8.446 9.259 1.00 0.00 C ATOM 705 C ALA A 46 7.516 -8.220 10.627 1.00 0.00 C ATOM 706 O ALA A 46 7.315 -9.019 11.538 1.00 0.00 O ATOM 707 CB ALA A 46 7.784 -9.357 8.428 1.00 0.00 C ATOM 0 H ALA A 46 6.967 -7.262 7.549 1.00 0.00 H new ATOM 0 HA ALA A 46 5.899 -8.901 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.978 -10.277 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.296 -9.596 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.727 -8.846 8.231 1.00 0.00 H new ATOM 713 N GLN A 47 8.243 -7.113 10.755 1.00 0.00 N ATOM 714 CA GLN A 47 8.884 -6.577 11.935 1.00 0.00 C ATOM 715 C GLN A 47 7.927 -6.400 13.117 1.00 0.00 C ATOM 716 O GLN A 47 8.355 -6.457 14.269 1.00 0.00 O ATOM 717 CB GLN A 47 9.455 -5.207 11.518 1.00 0.00 C ATOM 718 CG GLN A 47 10.875 -5.050 12.029 1.00 0.00 C ATOM 719 CD GLN A 47 11.451 -3.694 11.622 1.00 0.00 C ATOM 720 OE1 GLN A 47 11.212 -2.682 12.279 1.00 0.00 O ATOM 721 NE2 GLN A 47 12.178 -3.612 10.521 1.00 0.00 N ATOM 0 H GLN A 47 8.410 -6.514 9.947 1.00 0.00 H new ATOM 0 HA GLN A 47 9.650 -7.272 12.280 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.440 -5.115 10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.828 -4.408 11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.888 -5.145 13.115 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.500 -5.850 11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.376 -4.452 9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.541 -2.709 10.216 1.00 0.00 H new ATOM 730 N SER A 48 6.656 -6.119 12.831 1.00 0.00 N ATOM 731 CA SER A 48 5.659 -5.685 13.802 1.00 0.00 C ATOM 732 C SER A 48 4.271 -6.264 13.481 1.00 0.00 C ATOM 733 O SER A 48 3.275 -5.796 14.032 1.00 0.00 O ATOM 734 CB SER A 48 5.605 -4.152 13.815 1.00 0.00 C ATOM 735 OG SER A 48 6.908 -3.590 13.806 1.00 0.00 O ATOM 0 H SER A 48 6.282 -6.190 11.885 1.00 0.00 H new ATOM 0 HA SER A 48 5.947 -6.054 14.786 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.048 -3.798 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.066 -3.812 14.700 1.00 0.00 H new ATOM 0 HG SER A 48 6.843 -2.612 13.813 1.00 0.00 H new ATOM 741 N GLN A 49 4.192 -7.205 12.529 1.00 0.00 N ATOM 742 CA GLN A 49 2.961 -7.794 11.985 1.00 0.00 C ATOM 743 C GLN A 49 1.889 -6.749 11.609 1.00 0.00 C ATOM 744 O GLN A 49 0.692 -7.026 11.703 1.00 0.00 O ATOM 745 CB GLN A 49 2.390 -8.892 12.904 1.00 0.00 C ATOM 746 CG GLN A 49 3.394 -9.986 13.280 1.00 0.00 C ATOM 747 CD GLN A 49 2.773 -11.064 14.172 1.00 0.00 C ATOM 748 OE1 GLN A 49 1.941 -11.867 13.741 1.00 0.00 O ATOM 749 NE2 GLN A 49 3.162 -11.126 15.434 1.00 0.00 N ATOM 0 H GLN A 49 5.029 -7.596 12.096 1.00 0.00 H new ATOM 0 HA GLN A 49 3.255 -8.268 11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.018 -8.428 13.817 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.535 -9.354 12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.781 -10.448 12.372 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.242 -9.536 13.795 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.850 -10.462 15.789 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.774 -11.838 16.053 1.00 0.00 H new ATOM 758 N GLN A 50 2.295 -5.540 11.206 1.00 0.00 N ATOM 759 CA GLN A 50 1.413 -4.419 10.896 1.00 0.00 C ATOM 760 C GLN A 50 1.267 -4.183 9.393 1.00 0.00 C ATOM 761 O GLN A 50 2.084 -4.653 8.598 1.00 0.00 O ATOM 762 CB GLN A 50 1.901 -3.182 11.682 1.00 0.00 C ATOM 763 CG GLN A 50 0.921 -2.663 12.752 1.00 0.00 C ATOM 764 CD GLN A 50 0.018 -3.724 13.387 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.204 -3.638 13.309 1.00 0.00 O ATOM 766 NE2 GLN A 50 0.566 -4.779 13.953 1.00 0.00 N ATOM 0 H GLN A 50 3.282 -5.311 11.084 1.00 0.00 H new ATOM 0 HA GLN A 50 0.398 -4.650 11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.847 -3.427 12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.103 -2.377 10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.495 -2.179 13.542 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.291 -1.896 12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.581 -4.853 14.019 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.025 -5.523 14.325 1.00 0.00 H new ATOM 775 N TYR A 51 0.218 -3.459 9.012 1.00 0.00 N ATOM 776 CA TYR A 51 -0.082 -3.091 7.627 1.00 0.00 C ATOM 777 C TYR A 51 0.287 -1.637 7.362 1.00 0.00 C ATOM 778 O TYR A 51 -0.058 -0.742 8.135 1.00 0.00 O ATOM 779 CB TYR A 51 -1.576 -3.295 7.338 1.00 0.00 C ATOM 780 CG TYR A 51 -1.908 -4.623 6.691 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.576 -5.841 7.318 1.00 0.00 C ATOM 782 CD2 TYR A 51 -2.534 -4.632 5.432 1.00 0.00 C ATOM 783 CE1 TYR A 51 -1.821 -7.061 6.657 1.00 0.00 C ATOM 784 CE2 TYR A 51 -2.758 -5.841 4.758 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.379 -7.060 5.357 1.00 0.00 C ATOM 786 OH TYR A 51 -2.546 -8.224 4.674 1.00 0.00 O ATOM 0 H TYR A 51 -0.468 -3.101 9.676 1.00 0.00 H new ATOM 0 HA TYR A 51 0.508 -3.731 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.130 -3.211 8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.922 -2.491 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.134 -5.839 8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.844 -3.701 4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.583 -7.996 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.220 -5.839 3.782 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.943 -8.035 3.798 1.00 0.00 H new ATOM 796 N LEU A 52 0.945 -1.395 6.231 1.00 0.00 N ATOM 797 CA LEU A 52 1.451 -0.101 5.797 1.00 0.00 C ATOM 798 C LEU A 52 1.071 0.122 4.331 1.00 0.00 C ATOM 799 O LEU A 52 0.467 -0.745 3.707 1.00 0.00 O ATOM 800 CB LEU A 52 2.980 -0.046 5.955 1.00 0.00 C ATOM 801 CG LEU A 52 3.553 -0.437 7.332 1.00 0.00 C ATOM 802 CD1 LEU A 52 5.069 -0.362 7.210 1.00 0.00 C ATOM 803 CD2 LEU A 52 3.129 0.487 8.481 1.00 0.00 C ATOM 0 H LEU A 52 1.149 -2.136 5.560 1.00 0.00 H new ATOM 0 HA LEU A 52 1.010 0.682 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.422 -0.701 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.309 0.968 5.726 1.00 0.00 H new ATOM 0 HG LEU A 52 3.172 -1.428 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.524 -0.631 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.407 -1.054 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.363 0.653 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.577 0.139 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.465 1.503 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.043 0.476 8.575 1.00 0.00 H new ATOM 815 N TYR A 53 1.441 1.256 3.746 1.00 0.00 N ATOM 816 CA TYR A 53 1.449 1.493 2.311 1.00 0.00 C ATOM 817 C TYR A 53 2.576 2.465 1.983 1.00 0.00 C ATOM 818 O TYR A 53 2.982 3.248 2.841 1.00 0.00 O ATOM 819 CB TYR A 53 0.095 2.026 1.823 1.00 0.00 C ATOM 820 CG TYR A 53 -0.333 3.396 2.326 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.731 3.583 3.665 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.372 4.485 1.435 1.00 0.00 C ATOM 823 CE1 TYR A 53 -1.192 4.833 4.112 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.831 5.737 1.871 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.263 5.911 3.205 1.00 0.00 C ATOM 826 OH TYR A 53 -1.770 7.106 3.608 1.00 0.00 O ATOM 0 H TYR A 53 1.755 2.065 4.281 1.00 0.00 H new ATOM 0 HA TYR A 53 1.619 0.550 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.117 2.057 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.673 1.307 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.681 2.755 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.048 4.356 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.489 4.967 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.854 6.571 1.185 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.746 7.740 2.861 1.00 0.00 H new ATOM 836 N TRP A 54 3.071 2.420 0.748 1.00 0.00 N ATOM 837 CA TRP A 54 3.959 3.431 0.193 1.00 0.00 C ATOM 838 C TRP A 54 3.098 4.635 -0.185 1.00 0.00 C ATOM 839 O TRP A 54 2.201 4.484 -1.018 1.00 0.00 O ATOM 840 CB TRP A 54 4.674 2.853 -1.040 1.00 0.00 C ATOM 841 CG TRP A 54 5.498 3.828 -1.822 1.00 0.00 C ATOM 842 CD1 TRP A 54 5.204 4.323 -3.046 1.00 0.00 C ATOM 843 CD2 TRP A 54 6.754 4.451 -1.434 1.00 0.00 C ATOM 844 NE1 TRP A 54 6.210 5.178 -3.458 1.00 0.00 N ATOM 845 CE2 TRP A 54 7.196 5.290 -2.500 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.560 4.383 -0.283 1.00 0.00 C ATOM 847 CZ2 TRP A 54 8.395 6.014 -2.431 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.749 5.122 -0.189 1.00 0.00 C ATOM 849 CH2 TRP A 54 9.162 5.939 -1.255 1.00 0.00 C ATOM 0 H TRP A 54 2.860 1.665 0.096 1.00 0.00 H new ATOM 0 HA TRP A 54 4.721 3.734 0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.319 2.037 -0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.925 2.422 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.317 4.086 -3.616 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.221 5.663 -4.355 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.259 3.753 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.723 6.617 -3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.349 5.063 0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.073 6.512 -1.171 1.00 0.00 H new ATOM 860 N ASP A 55 3.340 5.808 0.404 1.00 0.00 N ATOM 861 CA ASP A 55 2.766 7.066 -0.067 1.00 0.00 C ATOM 862 C ASP A 55 3.816 7.771 -0.912 1.00 0.00 C ATOM 863 O ASP A 55 4.674 8.488 -0.391 1.00 0.00 O ATOM 864 CB ASP A 55 2.255 7.979 1.064 1.00 0.00 C ATOM 865 CG ASP A 55 1.703 9.304 0.507 1.00 0.00 C ATOM 866 OD1 ASP A 55 1.390 9.339 -0.709 1.00 0.00 O ATOM 867 OD2 ASP A 55 1.571 10.289 1.275 1.00 0.00 O ATOM 0 H ASP A 55 3.941 5.910 1.222 1.00 0.00 H new ATOM 0 HA ASP A 55 1.879 6.836 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.475 7.465 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.066 8.185 1.762 1.00 0.00 H new ATOM 872 N GLY A 56 3.759 7.567 -2.229 1.00 0.00 N ATOM 873 CA GLY A 56 4.669 8.203 -3.171 1.00 0.00 C ATOM 874 C GLY A 56 4.554 9.730 -3.191 1.00 0.00 C ATOM 875 O GLY A 56 5.473 10.393 -3.672 1.00 0.00 O ATOM 0 H GLY A 56 3.075 6.952 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.693 7.926 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.472 7.818 -4.172 1.00 0.00 H new ATOM 879 N GLU A 57 3.489 10.313 -2.626 1.00 0.00 N ATOM 880 CA GLU A 57 3.352 11.764 -2.505 1.00 0.00 C ATOM 881 C GLU A 57 4.265 12.302 -1.404 1.00 0.00 C ATOM 882 O GLU A 57 4.533 13.502 -1.341 1.00 0.00 O ATOM 883 CB GLU A 57 1.915 12.154 -2.144 1.00 0.00 C ATOM 884 CG GLU A 57 0.836 11.529 -3.043 1.00 0.00 C ATOM 885 CD GLU A 57 -0.101 12.559 -3.660 1.00 0.00 C ATOM 886 OE1 GLU A 57 0.279 13.177 -4.688 1.00 0.00 O ATOM 887 OE2 GLU A 57 -1.262 12.671 -3.198 1.00 0.00 O ATOM 0 H GLU A 57 2.702 9.791 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 57 3.625 12.190 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.722 11.863 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.824 13.239 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.319 10.963 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.251 10.819 -2.458 1.00 0.00 H new ATOM 894 N ARG A 58 4.750 11.440 -0.512 1.00 0.00 N ATOM 895 CA ARG A 58 5.652 11.777 0.582 1.00 0.00 C ATOM 896 C ARG A 58 6.933 10.961 0.529 1.00 0.00 C ATOM 897 O ARG A 58 7.815 11.201 1.342 1.00 0.00 O ATOM 898 CB ARG A 58 4.915 11.544 1.903 1.00 0.00 C ATOM 899 CG ARG A 58 3.798 12.568 2.087 1.00 0.00 C ATOM 900 CD ARG A 58 3.131 12.345 3.440 1.00 0.00 C ATOM 901 NE ARG A 58 2.182 13.416 3.757 1.00 0.00 N ATOM 902 CZ ARG A 58 0.909 13.474 3.362 1.00 0.00 C ATOM 903 NH1 ARG A 58 0.403 12.599 2.494 1.00 0.00 N ATOM 904 NH2 ARG A 58 0.131 14.437 3.854 1.00 0.00 N ATOM 0 H ARG A 58 4.514 10.448 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 58 5.945 12.823 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.498 10.537 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.617 11.612 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.202 13.579 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.065 12.472 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.611 11.387 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.893 12.291 4.218 1.00 0.00 H new ATOM 0 HE ARG A 58 2.526 14.186 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.993 11.859 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.574 12.669 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.512 15.111 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.845 14.501 3.566 1.00 0.00 H new ATOM 918 N ARG A 59 7.026 10.016 -0.411 1.00 0.00 N ATOM 919 CA ARG A 59 8.109 9.043 -0.528 1.00 0.00 C ATOM 920 C ARG A 59 8.448 8.461 0.839 1.00 0.00 C ATOM 921 O ARG A 59 9.574 8.588 1.325 1.00 0.00 O ATOM 922 CB ARG A 59 9.330 9.633 -1.235 1.00 0.00 C ATOM 923 CG ARG A 59 9.067 9.932 -2.712 1.00 0.00 C ATOM 924 CD ARG A 59 10.416 10.276 -3.330 1.00 0.00 C ATOM 925 NE ARG A 59 10.330 10.587 -4.755 1.00 0.00 N ATOM 926 CZ ARG A 59 11.373 10.925 -5.518 1.00 0.00 C ATOM 927 NH1 ARG A 59 12.617 10.881 -5.034 1.00 0.00 N ATOM 928 NH2 ARG A 59 11.159 11.278 -6.778 1.00 0.00 N ATOM 0 H ARG A 59 6.320 9.906 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 59 7.767 8.222 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.629 10.551 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.165 8.937 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.621 9.070 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.367 10.761 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.844 11.129 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.099 9.438 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 59 9.412 10.543 -5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.779 10.587 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.405 11.142 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.209 11.288 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.944 11.539 -7.375 1.00 0.00 H new ATOM 942 N THR A 60 7.463 7.837 1.470 1.00 0.00 N ATOM 943 CA THR A 60 7.638 7.189 2.753 1.00 0.00 C ATOM 944 C THR A 60 6.615 6.064 2.865 1.00 0.00 C ATOM 945 O THR A 60 5.731 5.931 2.012 1.00 0.00 O ATOM 946 CB THR A 60 7.529 8.259 3.856 1.00 0.00 C ATOM 947 OG1 THR A 60 8.052 7.780 5.077 1.00 0.00 O ATOM 948 CG2 THR A 60 6.103 8.778 4.054 1.00 0.00 C ATOM 0 H THR A 60 6.515 7.768 1.100 1.00 0.00 H new ATOM 0 HA THR A 60 8.620 6.729 2.863 1.00 0.00 H new ATOM 0 HB THR A 60 8.127 9.105 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.885 7.292 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.095 9.528 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.746 9.225 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.450 7.951 4.333 1.00 0.00 H new ATOM 956 N TYR A 61 6.713 5.272 3.929 1.00 0.00 N ATOM 957 CA TYR A 61 5.732 4.253 4.249 1.00 0.00 C ATOM 958 C TYR A 61 4.898 4.766 5.414 1.00 0.00 C ATOM 959 O TYR A 61 5.421 5.359 6.360 1.00 0.00 O ATOM 960 CB TYR A 61 6.416 2.917 4.544 1.00 0.00 C ATOM 961 CG TYR A 61 7.254 2.392 3.392 1.00 0.00 C ATOM 962 CD1 TYR A 61 8.594 2.805 3.259 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.703 1.491 2.458 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.391 2.288 2.226 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.507 0.945 1.439 1.00 0.00 C ATOM 966 CZ TYR A 61 8.868 1.317 1.345 1.00 0.00 C ATOM 967 OH TYR A 61 9.701 0.727 0.448 1.00 0.00 O ATOM 0 H TYR A 61 7.484 5.324 4.595 1.00 0.00 H new ATOM 0 HA TYR A 61 5.072 4.062 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.052 3.031 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.656 2.177 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.009 3.521 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.660 1.218 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.407 2.634 2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.086 0.245 0.732 1.00 0.00 H new ATOM 0 HH TYR A 61 9.198 0.080 -0.089 1.00 0.00 H new ATOM 977 N VAL A 62 3.586 4.620 5.314 1.00 0.00 N ATOM 978 CA VAL A 62 2.610 5.074 6.297 1.00 0.00 C ATOM 979 C VAL A 62 1.710 3.902 6.703 1.00 0.00 C ATOM 980 O VAL A 62 1.557 2.971 5.916 1.00 0.00 O ATOM 981 CB VAL A 62 1.831 6.294 5.749 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.456 7.604 6.240 1.00 0.00 C ATOM 983 CG2 VAL A 62 1.795 6.393 4.213 1.00 0.00 C ATOM 0 H VAL A 62 3.152 4.163 4.512 1.00 0.00 H new ATOM 0 HA VAL A 62 3.110 5.416 7.203 1.00 0.00 H new ATOM 0 HB VAL A 62 0.816 6.144 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.892 8.448 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.432 7.633 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.489 7.665 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.229 7.277 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.812 6.469 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.318 5.503 3.802 1.00 0.00 H new ATOM 993 N PRO A 63 1.107 3.908 7.901 1.00 0.00 N ATOM 994 CA PRO A 63 0.254 2.825 8.376 1.00 0.00 C ATOM 995 C PRO A 63 -1.101 2.842 7.669 1.00 0.00 C ATOM 996 O PRO A 63 -1.817 3.848 7.707 1.00 0.00 O ATOM 997 CB PRO A 63 0.106 3.041 9.880 1.00 0.00 C ATOM 998 CG PRO A 63 0.324 4.542 10.042 1.00 0.00 C ATOM 999 CD PRO A 63 1.312 4.897 8.943 1.00 0.00 C ATOM 0 HA PRO A 63 0.689 1.849 8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.879 2.737 10.235 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.840 2.465 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.609 5.094 9.932 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.722 4.782 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.135 5.905 8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.337 4.870 9.313 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.488 1.717 7.065 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.686 1.623 6.231 1.00 0.00 C ATOM 1009 C ALA A 64 -3.976 1.349 7.000 1.00 0.00 C ATOM 1010 O ALA A 64 -4.995 0.985 6.421 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.474 0.554 5.160 1.00 0.00 C ATOM 0 H ALA A 64 -0.974 0.839 7.142 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.822 2.606 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.365 0.482 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.619 0.824 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.286 -0.408 5.638 1.00 0.00 H new