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 26 TYR OH : rot -119:sc= 1.32 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.0828 K(o=0.25,f=-0.75) USER MOD Set 2.2: A 48 SER OG : rot 162:sc= 0.167 USER MOD Set 3.1: A 18 TYR OH : rot -57:sc= 1.32 USER MOD Set 3.2: A 43 TYR OH : rot -167:sc= 0.0787 USER MOD Set 4.1: A 36 TYR OH : rot 30:sc= 0.0103 USER MOD Set 4.2: A 41 GLN : amide:sc= 0.413 X(o=0.42,f=0.69) USER MOD Set 5.1: A 32 THR OG1 : rot -68:sc= 1.09 USER MOD Set 5.2: A 61 TYR OH : rot -38:sc= 0.363 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.302 USER MOD Single : A 17 THR OG1 : rot -34:sc= 0.173 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 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= -0.0377 X(o=-0.038,f=-0.53) 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= -0.131 X(o=-0.13,f=-0.62) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -64:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 10.583 8.766 3.539 1.00 0.00 N ATOM 135 CA TYR A 10 11.352 7.559 3.274 1.00 0.00 C ATOM 136 C TYR A 10 12.305 7.806 2.101 1.00 0.00 C ATOM 137 O TYR A 10 11.988 8.604 1.213 1.00 0.00 O ATOM 138 CB TYR A 10 10.401 6.404 2.940 1.00 0.00 C ATOM 139 CG TYR A 10 9.688 5.824 4.139 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.531 6.443 4.647 1.00 0.00 C ATOM 141 CD2 TYR A 10 10.206 4.678 4.765 1.00 0.00 C ATOM 142 CE1 TYR A 10 7.894 5.928 5.786 1.00 0.00 C ATOM 143 CE2 TYR A 10 9.572 4.151 5.900 1.00 0.00 C ATOM 144 CZ TYR A 10 8.424 4.785 6.424 1.00 0.00 C ATOM 145 OH TYR A 10 7.886 4.322 7.584 1.00 0.00 O ATOM 0 HA TYR A 10 11.933 7.297 4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 10 9.658 6.755 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.967 5.612 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.131 7.319 4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.093 4.203 4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.004 6.403 6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.961 3.261 6.373 1.00 0.00 H new ATOM 0 HH TYR A 10 8.378 3.527 7.878 1.00 0.00 H new ATOM 155 N PRO A 11 13.419 7.053 2.025 1.00 0.00 N ATOM 156 CA PRO A 11 14.176 6.927 0.791 1.00 0.00 C ATOM 157 C PRO A 11 13.295 6.304 -0.299 1.00 0.00 C ATOM 158 O PRO A 11 12.212 5.798 -0.023 1.00 0.00 O ATOM 159 CB PRO A 11 15.386 6.059 1.145 1.00 0.00 C ATOM 160 CG PRO A 11 14.897 5.207 2.312 1.00 0.00 C ATOM 161 CD PRO A 11 13.943 6.147 3.042 1.00 0.00 C ATOM 0 HA PRO A 11 14.506 7.886 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.695 5.442 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.245 6.667 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.392 4.304 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.719 4.888 2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.138 5.591 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.462 6.698 3.826 1.00 0.00 H new ATOM 169 N VAL A 12 13.769 6.314 -1.542 1.00 0.00 N ATOM 170 CA VAL A 12 13.022 5.903 -2.726 1.00 0.00 C ATOM 171 C VAL A 12 13.554 4.520 -3.138 1.00 0.00 C ATOM 172 O VAL A 12 14.563 4.483 -3.859 1.00 0.00 O ATOM 173 CB VAL A 12 13.120 6.997 -3.813 1.00 0.00 C ATOM 174 CG1 VAL A 12 12.346 6.620 -5.080 1.00 0.00 C ATOM 175 CG2 VAL A 12 12.591 8.359 -3.321 1.00 0.00 C ATOM 0 H VAL A 12 14.718 6.619 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 12 11.953 5.798 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 12 14.183 7.079 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.443 7.418 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.750 5.695 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.293 6.478 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.681 9.095 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.544 8.261 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.174 8.686 -2.460 1.00 0.00 H new ATOM 185 N PRO A 13 13.034 3.406 -2.588 1.00 0.00 N ATOM 186 CA PRO A 13 13.620 2.076 -2.735 1.00 0.00 C ATOM 187 C PRO A 13 13.540 1.583 -4.185 1.00 0.00 C ATOM 188 O PRO A 13 12.845 2.175 -5.018 1.00 0.00 O ATOM 189 CB PRO A 13 12.810 1.180 -1.793 1.00 0.00 C ATOM 190 CG PRO A 13 11.420 1.806 -1.875 1.00 0.00 C ATOM 191 CD PRO A 13 11.756 3.294 -1.888 1.00 0.00 C ATOM 0 HA PRO A 13 14.681 2.072 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.809 0.140 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.204 1.194 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.884 1.499 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.797 1.534 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.980 3.866 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.829 3.687 -0.874 1.00 0.00 H new ATOM 199 N ASP A 14 14.231 0.485 -4.505 1.00 0.00 N ATOM 200 CA ASP A 14 14.292 -0.017 -5.876 1.00 0.00 C ATOM 201 C ASP A 14 14.368 -1.540 -5.899 1.00 0.00 C ATOM 202 O ASP A 14 15.270 -2.136 -5.308 1.00 0.00 O ATOM 203 CB ASP A 14 15.479 0.611 -6.613 1.00 0.00 C ATOM 204 CG ASP A 14 15.265 0.620 -8.124 1.00 0.00 C ATOM 205 OD1 ASP A 14 14.798 -0.389 -8.710 1.00 0.00 O ATOM 206 OD2 ASP A 14 15.613 1.651 -8.737 1.00 0.00 O ATOM 0 H ASP A 14 14.756 -0.072 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 14 13.376 0.270 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.627 1.632 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.388 0.057 -6.378 1.00 0.00 H new ATOM 211 N VAL A 15 13.419 -2.174 -6.585 1.00 0.00 N ATOM 212 CA VAL A 15 13.299 -3.624 -6.690 1.00 0.00 C ATOM 213 C VAL A 15 14.556 -4.283 -7.294 1.00 0.00 C ATOM 214 O VAL A 15 14.824 -5.462 -7.049 1.00 0.00 O ATOM 215 CB VAL A 15 11.983 -3.949 -7.437 1.00 0.00 C ATOM 216 CG1 VAL A 15 11.980 -3.408 -8.871 1.00 0.00 C ATOM 217 CG2 VAL A 15 11.629 -5.438 -7.436 1.00 0.00 C ATOM 0 H VAL A 15 12.691 -1.676 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 15 13.241 -4.066 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 15 11.208 -3.434 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.036 -3.661 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.098 -2.325 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.804 -3.853 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.695 -5.590 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.426 -6.002 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.513 -5.784 -6.409 1.00 0.00 H new ATOM 227 N SER A 16 15.398 -3.548 -8.023 1.00 0.00 N ATOM 228 CA SER A 16 16.610 -4.012 -8.634 1.00 0.00 C ATOM 229 C SER A 16 17.678 -4.460 -7.625 1.00 0.00 C ATOM 230 O SER A 16 18.634 -5.134 -8.018 1.00 0.00 O ATOM 231 CB SER A 16 17.046 -2.836 -9.494 1.00 0.00 C ATOM 232 OG SER A 16 17.138 -1.624 -8.767 1.00 0.00 O ATOM 0 H SER A 16 15.227 -2.559 -8.203 1.00 0.00 H new ATOM 0 HA SER A 16 16.455 -4.920 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.014 -3.059 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.338 -2.709 -10.313 1.00 0.00 H new ATOM 0 HG SER A 16 17.423 -0.903 -9.367 1.00 0.00 H new ATOM 238 N THR A 17 17.528 -4.135 -6.336 1.00 0.00 N ATOM 239 CA THR A 17 18.422 -4.548 -5.252 1.00 0.00 C ATOM 240 C THR A 17 17.654 -5.376 -4.193 1.00 0.00 C ATOM 241 O THR A 17 18.201 -5.712 -3.137 1.00 0.00 O ATOM 242 CB THR A 17 19.195 -3.298 -4.762 1.00 0.00 C ATOM 243 OG1 THR A 17 20.183 -3.600 -3.805 1.00 0.00 O ATOM 244 CG2 THR A 17 18.315 -2.193 -4.176 1.00 0.00 C ATOM 0 H THR A 17 16.754 -3.557 -6.009 1.00 0.00 H new ATOM 0 HA THR A 17 19.190 -5.248 -5.581 1.00 0.00 H new ATOM 0 HB THR A 17 19.654 -2.931 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 19.881 -4.347 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 17 18.941 -1.359 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.609 -1.851 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 17 17.767 -2.581 -3.318 1.00 0.00 H new ATOM 252 N TYR A 18 16.393 -5.746 -4.466 1.00 0.00 N ATOM 253 CA TYR A 18 15.637 -6.688 -3.642 1.00 0.00 C ATOM 254 C TYR A 18 16.127 -8.109 -3.871 1.00 0.00 C ATOM 255 O TYR A 18 16.623 -8.449 -4.953 1.00 0.00 O ATOM 256 CB TYR A 18 14.142 -6.634 -3.975 1.00 0.00 C ATOM 257 CG TYR A 18 13.398 -5.404 -3.503 1.00 0.00 C ATOM 258 CD1 TYR A 18 14.045 -4.361 -2.811 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.027 -5.305 -3.786 1.00 0.00 C ATOM 260 CE1 TYR A 18 13.333 -3.215 -2.436 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.320 -4.136 -3.471 1.00 0.00 C ATOM 262 CZ TYR A 18 11.970 -3.088 -2.781 1.00 0.00 C ATOM 263 OH TYR A 18 11.283 -1.979 -2.413 1.00 0.00 O ATOM 0 H TYR A 18 15.871 -5.396 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 18 15.789 -6.403 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.029 -6.709 -5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.662 -7.512 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 18 15.094 -4.446 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.513 -6.134 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.826 -2.429 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.283 -4.037 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 18 11.334 -1.871 -1.440 1.00 0.00 H new ATOM 273 N GLN A 19 15.897 -8.950 -2.866 1.00 0.00 N ATOM 274 CA GLN A 19 16.117 -10.389 -2.937 1.00 0.00 C ATOM 275 C GLN A 19 14.829 -11.087 -3.339 1.00 0.00 C ATOM 276 O GLN A 19 13.750 -10.605 -3.020 1.00 0.00 O ATOM 277 CB GLN A 19 16.607 -10.911 -1.580 1.00 0.00 C ATOM 278 CG GLN A 19 18.092 -10.577 -1.387 1.00 0.00 C ATOM 279 CD GLN A 19 18.797 -11.594 -0.500 1.00 0.00 C ATOM 280 OE1 GLN A 19 18.828 -12.788 -0.805 1.00 0.00 O ATOM 281 NE2 GLN A 19 19.414 -11.145 0.576 1.00 0.00 N ATOM 0 H GLN A 19 15.545 -8.641 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 19 16.879 -10.600 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.019 -10.465 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.459 -11.989 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.584 -10.541 -2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.186 -9.585 -0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.375 -10.153 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.930 -11.790 1.175 1.00 0.00 H new ATOM 290 N TYR A 20 14.935 -12.229 -4.011 1.00 0.00 N ATOM 291 CA TYR A 20 13.836 -13.154 -4.246 1.00 0.00 C ATOM 292 C TYR A 20 13.858 -14.267 -3.200 1.00 0.00 C ATOM 293 O TYR A 20 14.942 -14.643 -2.738 1.00 0.00 O ATOM 294 CB TYR A 20 14.055 -13.755 -5.630 1.00 0.00 C ATOM 295 CG TYR A 20 12.945 -14.648 -6.121 1.00 0.00 C ATOM 296 CD1 TYR A 20 11.715 -14.076 -6.489 1.00 0.00 C ATOM 297 CD2 TYR A 20 13.165 -16.029 -6.271 1.00 0.00 C ATOM 298 CE1 TYR A 20 10.737 -14.861 -7.116 1.00 0.00 C ATOM 299 CE2 TYR A 20 12.177 -16.826 -6.871 1.00 0.00 C ATOM 300 CZ TYR A 20 10.977 -16.237 -7.326 1.00 0.00 C ATOM 301 OH TYR A 20 10.054 -16.990 -7.975 1.00 0.00 O ATOM 0 H TYR A 20 15.815 -12.544 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 20 12.876 -12.642 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.190 -12.943 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 20 14.983 -14.327 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.523 -13.032 -6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.087 -16.473 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.806 -14.416 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.335 -17.888 -6.984 1.00 0.00 H new ATOM 0 HH TYR A 20 10.372 -17.915 -8.038 1.00 0.00 H new ATOM 311 N ASP A 21 12.698 -14.854 -2.898 1.00 0.00 N ATOM 312 CA ASP A 21 12.570 -16.019 -2.015 1.00 0.00 C ATOM 313 C ASP A 21 11.671 -17.055 -2.672 1.00 0.00 C ATOM 314 O ASP A 21 10.448 -16.954 -2.621 1.00 0.00 O ATOM 315 CB ASP A 21 12.058 -15.625 -0.616 1.00 0.00 C ATOM 316 CG ASP A 21 13.014 -16.110 0.472 1.00 0.00 C ATOM 317 OD1 ASP A 21 13.139 -17.341 0.655 1.00 0.00 O ATOM 318 OD2 ASP A 21 13.672 -15.276 1.133 1.00 0.00 O ATOM 0 H ASP A 21 11.804 -14.528 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 21 13.558 -16.454 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.951 -14.542 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.069 -16.052 -0.453 1.00 0.00 H new ATOM 323 N GLU A 22 12.265 -18.050 -3.327 1.00 0.00 N ATOM 324 CA GLU A 22 11.580 -19.049 -4.152 1.00 0.00 C ATOM 325 C GLU A 22 10.589 -19.918 -3.376 1.00 0.00 C ATOM 326 O GLU A 22 9.675 -20.476 -3.983 1.00 0.00 O ATOM 327 CB GLU A 22 12.580 -19.949 -4.896 1.00 0.00 C ATOM 328 CG GLU A 22 13.934 -20.168 -4.221 1.00 0.00 C ATOM 329 CD GLU A 22 14.828 -20.996 -5.131 1.00 0.00 C ATOM 330 OE1 GLU A 22 14.647 -22.229 -5.198 1.00 0.00 O ATOM 331 OE2 GLU A 22 15.647 -20.407 -5.878 1.00 0.00 O ATOM 0 H GLU A 22 13.275 -18.190 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 22 11.003 -18.469 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.114 -20.922 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.756 -19.520 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.405 -19.208 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.798 -20.677 -3.267 1.00 0.00 H new ATOM 338 N THR A 23 10.720 -20.001 -2.052 1.00 0.00 N ATOM 339 CA THR A 23 9.737 -20.645 -1.183 1.00 0.00 C ATOM 340 C THR A 23 8.335 -20.021 -1.350 1.00 0.00 C ATOM 341 O THR A 23 7.337 -20.712 -1.119 1.00 0.00 O ATOM 342 CB THR A 23 10.256 -20.610 0.269 1.00 0.00 C ATOM 343 OG1 THR A 23 9.448 -21.375 1.137 1.00 0.00 O ATOM 344 CG2 THR A 23 10.330 -19.188 0.833 1.00 0.00 C ATOM 0 H THR A 23 11.520 -19.619 -1.548 1.00 0.00 H new ATOM 0 HA THR A 23 9.616 -21.689 -1.470 1.00 0.00 H new ATOM 0 HB THR A 23 11.259 -21.034 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.810 -21.329 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.701 -19.222 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.005 -18.589 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.336 -18.740 0.822 1.00 0.00 H new ATOM 352 N SER A 24 8.241 -18.760 -1.791 1.00 0.00 N ATOM 353 CA SER A 24 6.987 -18.043 -2.007 1.00 0.00 C ATOM 354 C SER A 24 6.944 -17.313 -3.360 1.00 0.00 C ATOM 355 O SER A 24 5.867 -16.970 -3.856 1.00 0.00 O ATOM 356 CB SER A 24 6.815 -17.053 -0.851 1.00 0.00 C ATOM 357 OG SER A 24 6.691 -17.739 0.383 1.00 0.00 O ATOM 0 H SER A 24 9.063 -18.198 -2.013 1.00 0.00 H new ATOM 0 HA SER A 24 6.168 -18.762 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.670 -16.378 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.931 -16.438 -1.021 1.00 0.00 H new ATOM 0 HG SER A 24 6.584 -17.090 1.109 1.00 0.00 H new ATOM 363 N GLY A 25 8.095 -17.055 -3.975 1.00 0.00 N ATOM 364 CA GLY A 25 8.215 -16.295 -5.205 1.00 0.00 C ATOM 365 C GLY A 25 7.741 -14.847 -5.053 1.00 0.00 C ATOM 366 O GLY A 25 7.295 -14.252 -6.034 1.00 0.00 O ATOM 0 H GLY A 25 8.993 -17.381 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.255 -16.300 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.634 -16.783 -5.987 1.00 0.00 H new ATOM 370 N TYR A 26 7.784 -14.306 -3.834 1.00 0.00 N ATOM 371 CA TYR A 26 7.758 -12.871 -3.582 1.00 0.00 C ATOM 372 C TYR A 26 9.206 -12.372 -3.622 1.00 0.00 C ATOM 373 O TYR A 26 10.156 -13.166 -3.612 1.00 0.00 O ATOM 374 CB TYR A 26 7.114 -12.584 -2.218 1.00 0.00 C ATOM 375 CG TYR A 26 5.603 -12.452 -2.267 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.774 -13.589 -2.284 1.00 0.00 C ATOM 377 CD2 TYR A 26 5.020 -11.171 -2.295 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.373 -13.447 -2.306 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.625 -11.020 -2.292 1.00 0.00 C ATOM 380 CZ TYR A 26 2.792 -12.159 -2.318 1.00 0.00 C ATOM 381 OH TYR A 26 1.448 -12.001 -2.450 1.00 0.00 O ATOM 0 H TYR A 26 7.839 -14.865 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 26 7.164 -12.355 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.377 -13.385 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.536 -11.664 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.214 -14.575 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.653 -10.296 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.742 -14.323 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.189 -10.032 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 26 1.257 -11.486 -3.262 1.00 0.00 H new ATOM 391 N TYR A 27 9.369 -11.053 -3.606 1.00 0.00 N ATOM 392 CA TYR A 27 10.636 -10.388 -3.363 1.00 0.00 C ATOM 393 C TYR A 27 10.606 -9.773 -1.974 1.00 0.00 C ATOM 394 O TYR A 27 9.553 -9.358 -1.491 1.00 0.00 O ATOM 395 CB TYR A 27 10.883 -9.297 -4.405 1.00 0.00 C ATOM 396 CG TYR A 27 11.198 -9.861 -5.768 1.00 0.00 C ATOM 397 CD1 TYR A 27 10.154 -10.234 -6.633 1.00 0.00 C ATOM 398 CD2 TYR A 27 12.539 -10.098 -6.126 1.00 0.00 C ATOM 399 CE1 TYR A 27 10.459 -10.851 -7.854 1.00 0.00 C ATOM 400 CE2 TYR A 27 12.850 -10.729 -7.341 1.00 0.00 C ATOM 401 CZ TYR A 27 11.800 -11.099 -8.214 1.00 0.00 C ATOM 402 OH TYR A 27 12.045 -11.738 -9.386 1.00 0.00 O ATOM 0 H TYR A 27 8.600 -10.403 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 27 11.443 -11.117 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.002 -8.659 -4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.709 -8.666 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.126 -10.047 -6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.334 -9.792 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.662 -11.138 -8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.878 -10.929 -7.606 1.00 0.00 H new ATOM 0 HH TYR A 27 13.012 -11.841 -9.506 1.00 0.00 H new ATOM 412 N TYR A 28 11.773 -9.634 -1.365 1.00 0.00 N ATOM 413 CA TYR A 28 12.008 -9.065 -0.056 1.00 0.00 C ATOM 414 C TYR A 28 12.745 -7.741 -0.234 1.00 0.00 C ATOM 415 O TYR A 28 13.641 -7.644 -1.071 1.00 0.00 O ATOM 416 CB TYR A 28 12.839 -10.060 0.753 1.00 0.00 C ATOM 417 CG TYR A 28 13.230 -9.536 2.113 1.00 0.00 C ATOM 418 CD1 TYR A 28 12.228 -9.186 3.032 1.00 0.00 C ATOM 419 CD2 TYR A 28 14.585 -9.371 2.451 1.00 0.00 C ATOM 420 CE1 TYR A 28 12.575 -8.704 4.300 1.00 0.00 C ATOM 421 CE2 TYR A 28 14.938 -8.893 3.722 1.00 0.00 C ATOM 422 CZ TYR A 28 13.935 -8.581 4.666 1.00 0.00 C ATOM 423 OH TYR A 28 14.262 -8.251 5.947 1.00 0.00 O ATOM 0 H TYR A 28 12.640 -9.939 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 28 11.075 -8.874 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 28 12.272 -10.983 0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.740 -10.311 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.188 -9.289 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.354 -9.612 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.802 -8.425 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.979 -8.763 3.979 1.00 0.00 H new ATOM 0 HH TYR A 28 15.237 -8.208 6.035 1.00 0.00 H new ATOM 433 N ASP A 29 12.338 -6.728 0.529 1.00 0.00 N ATOM 434 CA ASP A 29 12.883 -5.375 0.615 1.00 0.00 C ATOM 435 C ASP A 29 13.850 -5.355 1.803 1.00 0.00 C ATOM 436 O ASP A 29 13.423 -5.090 2.923 1.00 0.00 O ATOM 437 CB ASP A 29 11.742 -4.338 0.722 1.00 0.00 C ATOM 438 CG ASP A 29 12.164 -2.868 0.901 1.00 0.00 C ATOM 439 OD1 ASP A 29 12.997 -2.587 1.788 1.00 0.00 O ATOM 440 OD2 ASP A 29 11.615 -1.981 0.202 1.00 0.00 O ATOM 0 H ASP A 29 11.546 -6.845 1.160 1.00 0.00 H new ATOM 0 HA ASP A 29 13.433 -5.098 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.130 -4.410 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.107 -4.615 1.563 1.00 0.00 H new ATOM 445 N PRO A 30 15.137 -5.717 1.637 1.00 0.00 N ATOM 446 CA PRO A 30 16.121 -5.634 2.717 1.00 0.00 C ATOM 447 C PRO A 30 16.410 -4.185 3.119 1.00 0.00 C ATOM 448 O PRO A 30 17.104 -3.940 4.112 1.00 0.00 O ATOM 449 CB PRO A 30 17.395 -6.274 2.161 1.00 0.00 C ATOM 450 CG PRO A 30 17.290 -6.017 0.659 1.00 0.00 C ATOM 451 CD PRO A 30 15.791 -6.087 0.395 1.00 0.00 C ATOM 0 HA PRO A 30 15.749 -6.136 3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 30 18.291 -5.821 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.440 -7.340 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.701 -5.045 0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.835 -6.765 0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.507 -5.409 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.498 -7.090 0.086 1.00 0.00 H new ATOM 459 N GLN A 31 15.928 -3.217 2.338 1.00 0.00 N ATOM 460 CA GLN A 31 16.126 -1.802 2.567 1.00 0.00 C ATOM 461 C GLN A 31 15.331 -1.339 3.798 1.00 0.00 C ATOM 462 O GLN A 31 15.669 -0.304 4.375 1.00 0.00 O ATOM 463 CB GLN A 31 15.757 -1.065 1.264 1.00 0.00 C ATOM 464 CG GLN A 31 16.232 0.387 1.202 1.00 0.00 C ATOM 465 CD GLN A 31 16.598 0.811 -0.222 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.022 0.374 -1.215 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.610 1.646 -0.362 1.00 0.00 N ATOM 0 H GLN A 31 15.373 -3.412 1.505 1.00 0.00 H new ATOM 0 HA GLN A 31 17.165 -1.571 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.182 -1.609 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.674 -1.085 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.449 1.041 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.098 0.513 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 31 18.089 2.009 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.913 1.928 -1.294 1.00 0.00 H new ATOM 476 N THR A 32 14.330 -2.116 4.229 1.00 0.00 N ATOM 477 CA THR A 32 13.486 -1.866 5.391 1.00 0.00 C ATOM 478 C THR A 32 13.090 -3.183 6.082 1.00 0.00 C ATOM 479 O THR A 32 13.304 -3.364 7.285 1.00 0.00 O ATOM 480 CB THR A 32 12.238 -1.091 4.933 1.00 0.00 C ATOM 481 OG1 THR A 32 11.589 -1.748 3.862 1.00 0.00 O ATOM 482 CG2 THR A 32 12.545 0.355 4.528 1.00 0.00 C ATOM 0 H THR A 32 14.078 -2.979 3.748 1.00 0.00 H new ATOM 0 HA THR A 32 14.039 -1.274 6.121 1.00 0.00 H new ATOM 0 HB THR A 32 11.577 -1.061 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.154 -1.707 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.625 0.848 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.972 0.888 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.257 0.358 3.703 1.00 0.00 H new ATOM 490 N GLY A 33 12.529 -4.124 5.321 1.00 0.00 N ATOM 491 CA GLY A 33 12.104 -5.444 5.757 1.00 0.00 C ATOM 492 C GLY A 33 10.723 -5.853 5.237 1.00 0.00 C ATOM 493 O GLY A 33 10.153 -6.815 5.764 1.00 0.00 O ATOM 0 H GLY A 33 12.351 -3.971 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.838 -6.179 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.094 -5.470 6.847 1.00 0.00 H new ATOM 497 N LEU A 34 10.156 -5.127 4.272 1.00 0.00 N ATOM 498 CA LEU A 34 8.857 -5.420 3.655 1.00 0.00 C ATOM 499 C LEU A 34 9.010 -6.508 2.577 1.00 0.00 C ATOM 500 O LEU A 34 10.128 -6.944 2.296 1.00 0.00 O ATOM 501 CB LEU A 34 8.275 -4.117 3.075 1.00 0.00 C ATOM 502 CG LEU A 34 8.051 -3.024 4.149 1.00 0.00 C ATOM 503 CD1 LEU A 34 8.142 -1.631 3.514 1.00 0.00 C ATOM 504 CD2 LEU A 34 6.724 -3.229 4.897 1.00 0.00 C ATOM 0 H LEU A 34 10.599 -4.294 3.885 1.00 0.00 H new ATOM 0 HA LEU A 34 8.165 -5.806 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.949 -3.734 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.327 -4.336 2.584 1.00 0.00 H new ATOM 0 HG LEU A 34 8.842 -3.107 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.983 -0.871 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.128 -1.497 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.380 -1.533 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.601 -2.443 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.897 -3.189 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.731 -4.200 5.392 1.00 0.00 H new ATOM 516 N TYR A 35 7.910 -6.938 1.952 1.00 0.00 N ATOM 517 CA TYR A 35 7.918 -7.786 0.759 1.00 0.00 C ATOM 518 C TYR A 35 7.171 -7.092 -0.390 1.00 0.00 C ATOM 519 O TYR A 35 6.461 -6.114 -0.165 1.00 0.00 O ATOM 520 CB TYR A 35 7.311 -9.157 1.078 1.00 0.00 C ATOM 521 CG TYR A 35 8.205 -10.082 1.884 1.00 0.00 C ATOM 522 CD1 TYR A 35 8.294 -9.949 3.284 1.00 0.00 C ATOM 523 CD2 TYR A 35 8.936 -11.094 1.230 1.00 0.00 C ATOM 524 CE1 TYR A 35 9.115 -10.817 4.026 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.752 -11.969 1.965 1.00 0.00 C ATOM 526 CZ TYR A 35 9.842 -11.833 3.367 1.00 0.00 C ATOM 527 OH TYR A 35 10.643 -12.666 4.080 1.00 0.00 O ATOM 0 H TYR A 35 6.970 -6.701 2.269 1.00 0.00 H new ATOM 0 HA TYR A 35 8.948 -7.945 0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.381 -9.007 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.053 -9.651 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.730 -9.178 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.868 -11.197 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.189 -10.707 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.309 -12.744 1.459 1.00 0.00 H new ATOM 0 HH TYR A 35 11.070 -13.308 3.474 1.00 0.00 H new ATOM 537 N TYR A 36 7.302 -7.609 -1.615 1.00 0.00 N ATOM 538 CA TYR A 36 6.817 -7.047 -2.876 1.00 0.00 C ATOM 539 C TYR A 36 6.501 -8.210 -3.816 1.00 0.00 C ATOM 540 O TYR A 36 7.244 -9.196 -3.848 1.00 0.00 O ATOM 541 CB TYR A 36 7.919 -6.159 -3.471 1.00 0.00 C ATOM 542 CG TYR A 36 7.718 -5.725 -4.905 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.220 -6.530 -5.946 1.00 0.00 C ATOM 544 CD2 TYR A 36 7.070 -4.513 -5.201 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.131 -6.106 -7.278 1.00 0.00 C ATOM 546 CE2 TYR A 36 7.000 -4.069 -6.533 1.00 0.00 C ATOM 547 CZ TYR A 36 7.568 -4.849 -7.568 1.00 0.00 C ATOM 548 OH TYR A 36 7.561 -4.404 -8.850 1.00 0.00 O ATOM 0 H TYR A 36 7.785 -8.496 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 36 5.921 -6.444 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.013 -5.267 -2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.866 -6.695 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.677 -7.481 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.628 -3.926 -4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.491 -6.738 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.513 -3.134 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 36 7.514 -5.168 -9.461 1.00 0.00 H new ATOM 558 N ASP A 37 5.408 -8.127 -4.571 1.00 0.00 N ATOM 559 CA ASP A 37 4.972 -9.183 -5.487 1.00 0.00 C ATOM 560 C ASP A 37 5.433 -8.773 -6.896 1.00 0.00 C ATOM 561 O ASP A 37 5.322 -7.596 -7.250 1.00 0.00 O ATOM 562 CB ASP A 37 3.431 -9.249 -5.417 1.00 0.00 C ATOM 563 CG ASP A 37 2.788 -10.623 -5.262 1.00 0.00 C ATOM 564 OD1 ASP A 37 3.347 -11.643 -5.722 1.00 0.00 O ATOM 565 OD2 ASP A 37 1.655 -10.653 -4.728 1.00 0.00 O ATOM 0 H ASP A 37 4.791 -7.315 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 37 5.386 -10.159 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.106 -8.630 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.034 -8.793 -6.324 1.00 0.00 H new ATOM 570 N PRO A 38 5.865 -9.692 -7.777 1.00 0.00 N ATOM 571 CA PRO A 38 6.329 -9.311 -9.110 1.00 0.00 C ATOM 572 C PRO A 38 5.230 -8.743 -10.004 1.00 0.00 C ATOM 573 O PRO A 38 5.503 -7.839 -10.802 1.00 0.00 O ATOM 574 CB PRO A 38 6.928 -10.574 -9.734 1.00 0.00 C ATOM 575 CG PRO A 38 6.348 -11.708 -8.888 1.00 0.00 C ATOM 576 CD PRO A 38 6.217 -11.075 -7.508 1.00 0.00 C ATOM 0 HA PRO A 38 7.058 -8.506 -9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.648 -10.674 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.017 -10.562 -9.695 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.384 -12.045 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.006 -12.577 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.450 -11.572 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.149 -11.146 -6.948 1.00 0.00 H new ATOM 584 N ASN A 39 4.012 -9.284 -9.946 1.00 0.00 N ATOM 585 CA ASN A 39 2.934 -8.927 -10.868 1.00 0.00 C ATOM 586 C ASN A 39 1.945 -7.936 -10.281 1.00 0.00 C ATOM 587 O ASN A 39 1.145 -7.351 -11.014 1.00 0.00 O ATOM 588 CB ASN A 39 2.174 -10.181 -11.272 1.00 0.00 C ATOM 589 CG ASN A 39 2.752 -10.762 -12.538 1.00 0.00 C ATOM 590 OD1 ASN A 39 2.600 -10.200 -13.616 1.00 0.00 O ATOM 591 ND2 ASN A 39 3.444 -11.879 -12.442 1.00 0.00 N ATOM 0 H ASN A 39 3.745 -9.985 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 39 3.408 -8.452 -11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.224 -10.918 -10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.121 -9.943 -11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.865 -12.291 -13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.559 -12.331 -11.535 1.00 0.00 H new ATOM 598 N SER A 40 2.005 -7.760 -8.974 1.00 0.00 N ATOM 599 CA SER A 40 1.190 -6.841 -8.199 1.00 0.00 C ATOM 600 C SER A 40 2.125 -5.995 -7.357 1.00 0.00 C ATOM 601 O SER A 40 2.648 -6.444 -6.348 1.00 0.00 O ATOM 602 CB SER A 40 0.172 -7.608 -7.351 1.00 0.00 C ATOM 603 OG SER A 40 -0.880 -8.102 -8.163 1.00 0.00 O ATOM 0 H SER A 40 2.660 -8.283 -8.392 1.00 0.00 H new ATOM 0 HA SER A 40 0.609 -6.189 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.665 -8.436 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.233 -6.954 -6.579 1.00 0.00 H new ATOM 0 HG SER A 40 -1.521 -8.591 -7.606 1.00 0.00 H new ATOM 609 N GLN A 41 2.342 -4.752 -7.775 1.00 0.00 N ATOM 610 CA GLN A 41 3.261 -3.833 -7.122 1.00 0.00 C ATOM 611 C GLN A 41 2.798 -3.452 -5.699 1.00 0.00 C ATOM 612 O GLN A 41 3.505 -2.711 -5.019 1.00 0.00 O ATOM 613 CB GLN A 41 3.471 -2.621 -8.039 1.00 0.00 C ATOM 614 CG GLN A 41 4.496 -2.865 -9.163 1.00 0.00 C ATOM 615 CD GLN A 41 4.284 -4.107 -10.038 1.00 0.00 C ATOM 616 OE1 GLN A 41 3.622 -4.061 -11.078 1.00 0.00 O ATOM 617 NE2 GLN A 41 4.855 -5.242 -9.675 1.00 0.00 N ATOM 0 H GLN A 41 1.876 -4.351 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 41 4.223 -4.323 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.516 -2.344 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.800 -1.774 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.502 -1.990 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.485 -2.933 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.403 -5.285 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.747 -6.075 -10.254 1.00 0.00 H new ATOM 626 N TYR A 42 1.643 -3.945 -5.228 1.00 0.00 N ATOM 627 CA TYR A 42 1.268 -3.920 -3.821 1.00 0.00 C ATOM 628 C TYR A 42 2.300 -4.722 -3.032 1.00 0.00 C ATOM 629 O TYR A 42 2.524 -5.910 -3.282 1.00 0.00 O ATOM 630 CB TYR A 42 -0.140 -4.488 -3.594 1.00 0.00 C ATOM 631 CG TYR A 42 -1.220 -3.854 -4.450 1.00 0.00 C ATOM 632 CD1 TYR A 42 -1.519 -2.483 -4.330 1.00 0.00 C ATOM 633 CD2 TYR A 42 -1.922 -4.644 -5.378 1.00 0.00 C ATOM 634 CE1 TYR A 42 -2.480 -1.888 -5.170 1.00 0.00 C ATOM 635 CE2 TYR A 42 -2.872 -4.056 -6.227 1.00 0.00 C ATOM 636 CZ TYR A 42 -3.138 -2.671 -6.148 1.00 0.00 C ATOM 637 OH TYR A 42 -3.996 -2.124 -7.053 1.00 0.00 O ATOM 0 H TYR A 42 0.939 -4.376 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 42 1.250 -2.885 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.121 -5.560 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.405 -4.360 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.009 -1.885 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.730 -5.705 -5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.714 -0.839 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.402 -4.665 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.344 -2.827 -7.640 1.00 0.00 H new ATOM 647 N TYR A 43 2.936 -4.045 -2.089 1.00 0.00 N ATOM 648 CA TYR A 43 3.851 -4.630 -1.140 1.00 0.00 C ATOM 649 C TYR A 43 3.062 -5.419 -0.096 1.00 0.00 C ATOM 650 O TYR A 43 1.857 -5.213 0.082 1.00 0.00 O ATOM 651 CB TYR A 43 4.639 -3.514 -0.455 1.00 0.00 C ATOM 652 CG TYR A 43 5.672 -2.785 -1.289 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.289 -1.896 -2.311 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.035 -2.942 -0.980 1.00 0.00 C ATOM 655 CE1 TYR A 43 6.259 -1.142 -2.993 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.008 -2.195 -1.658 1.00 0.00 C ATOM 657 CZ TYR A 43 7.623 -1.266 -2.648 1.00 0.00 C ATOM 658 OH TYR A 43 8.560 -0.485 -3.251 1.00 0.00 O ATOM 0 H TYR A 43 2.821 -3.039 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 43 4.539 -5.301 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.927 -2.779 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.144 -3.940 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.246 -1.793 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.334 -3.643 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.961 -0.467 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.053 -2.330 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 43 9.454 -0.835 -3.054 1.00 0.00 H new ATOM 668 N TYR A 44 3.766 -6.270 0.645 1.00 0.00 N ATOM 669 CA TYR A 44 3.260 -7.013 1.783 1.00 0.00 C ATOM 670 C TYR A 44 4.060 -6.621 3.015 1.00 0.00 C ATOM 671 O TYR A 44 5.268 -6.378 2.958 1.00 0.00 O ATOM 672 CB TYR A 44 3.321 -8.511 1.501 1.00 0.00 C ATOM 673 CG TYR A 44 2.868 -9.371 2.663 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.496 -9.531 2.936 1.00 0.00 C ATOM 675 CD2 TYR A 44 3.825 -10.001 3.481 1.00 0.00 C ATOM 676 CE1 TYR A 44 1.075 -10.349 4.000 1.00 0.00 C ATOM 677 CE2 TYR A 44 3.411 -10.843 4.527 1.00 0.00 C ATOM 678 CZ TYR A 44 2.034 -11.023 4.790 1.00 0.00 C ATOM 679 OH TYR A 44 1.641 -11.845 5.801 1.00 0.00 O ATOM 0 H TYR A 44 4.749 -6.466 0.455 1.00 0.00 H new ATOM 0 HA TYR A 44 2.213 -6.771 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.700 -8.733 0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.344 -8.781 1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.764 -9.023 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.878 -9.837 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.022 -10.462 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.146 -11.354 5.131 1.00 0.00 H new ATOM 0 HH TYR A 44 2.431 -12.226 6.238 1.00 0.00 H new ATOM 689 N ASN A 45 3.342 -6.480 4.117 1.00 0.00 N ATOM 690 CA ASN A 45 3.766 -5.968 5.399 1.00 0.00 C ATOM 691 C ASN A 45 3.514 -7.077 6.401 1.00 0.00 C ATOM 692 O ASN A 45 2.500 -7.077 7.106 1.00 0.00 O ATOM 693 CB ASN A 45 2.955 -4.715 5.731 1.00 0.00 C ATOM 694 CG ASN A 45 3.220 -4.264 7.151 1.00 0.00 C ATOM 695 OD1 ASN A 45 4.356 -4.175 7.603 1.00 0.00 O ATOM 696 ND2 ASN A 45 2.165 -4.011 7.893 1.00 0.00 N ATOM 0 H ASN A 45 2.358 -6.747 4.132 1.00 0.00 H new ATOM 0 HA ASN A 45 4.818 -5.685 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.212 -3.915 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.892 -4.919 5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.282 -3.734 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.230 -4.092 7.494 1.00 0.00 H new ATOM 703 N ALA A 46 4.430 -8.044 6.441 1.00 0.00 N ATOM 704 CA ALA A 46 4.356 -9.192 7.342 1.00 0.00 C ATOM 705 C ALA A 46 4.149 -8.756 8.796 1.00 0.00 C ATOM 706 O ALA A 46 3.427 -9.413 9.549 1.00 0.00 O ATOM 707 CB ALA A 46 5.632 -10.024 7.233 1.00 0.00 C ATOM 0 H ALA A 46 5.255 -8.052 5.841 1.00 0.00 H new ATOM 0 HA ALA A 46 3.497 -9.793 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.569 -10.878 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.749 -10.379 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.491 -9.410 7.504 1.00 0.00 H new ATOM 713 N GLN A 47 4.717 -7.602 9.155 1.00 0.00 N ATOM 714 CA GLN A 47 4.627 -6.939 10.443 1.00 0.00 C ATOM 715 C GLN A 47 3.203 -6.882 10.986 1.00 0.00 C ATOM 716 O GLN A 47 3.016 -7.014 12.196 1.00 0.00 O ATOM 717 CB GLN A 47 5.180 -5.512 10.299 1.00 0.00 C ATOM 718 CG GLN A 47 6.104 -5.172 11.464 1.00 0.00 C ATOM 719 CD GLN A 47 6.636 -3.741 11.366 1.00 0.00 C ATOM 720 OE1 GLN A 47 6.372 -2.901 12.225 1.00 0.00 O ATOM 721 NE2 GLN A 47 7.400 -3.425 10.333 1.00 0.00 N ATOM 0 H GLN A 47 5.293 -7.074 8.499 1.00 0.00 H new ATOM 0 HA GLN A 47 5.211 -7.520 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.723 -5.420 9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.356 -4.799 10.262 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.566 -5.296 12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.940 -5.871 11.481 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.615 -4.126 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.774 -2.480 10.245 1.00 0.00 H new ATOM 730 N SER A 48 2.213 -6.668 10.117 1.00 0.00 N ATOM 731 CA SER A 48 0.800 -6.602 10.457 1.00 0.00 C ATOM 732 C SER A 48 -0.019 -7.533 9.542 1.00 0.00 C ATOM 733 O SER A 48 -1.238 -7.397 9.455 1.00 0.00 O ATOM 734 CB SER A 48 0.328 -5.143 10.345 1.00 0.00 C ATOM 735 OG SER A 48 1.320 -4.208 10.755 1.00 0.00 O ATOM 0 H SER A 48 2.386 -6.531 9.121 1.00 0.00 H new ATOM 0 HA SER A 48 0.649 -6.943 11.481 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.045 -4.936 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.566 -5.008 10.954 1.00 0.00 H new ATOM 0 HG SER A 48 1.098 -3.320 10.404 1.00 0.00 H new ATOM 741 N GLN A 49 0.660 -8.423 8.808 1.00 0.00 N ATOM 742 CA GLN A 49 0.181 -9.265 7.713 1.00 0.00 C ATOM 743 C GLN A 49 -0.716 -8.526 6.715 1.00 0.00 C ATOM 744 O GLN A 49 -1.671 -9.088 6.186 1.00 0.00 O ATOM 745 CB GLN A 49 -0.429 -10.575 8.260 1.00 0.00 C ATOM 746 CG GLN A 49 0.543 -11.304 9.201 1.00 0.00 C ATOM 747 CD GLN A 49 0.129 -12.744 9.484 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.021 -13.042 9.784 1.00 0.00 O ATOM 749 NE2 GLN A 49 1.072 -13.672 9.453 1.00 0.00 N ATOM 0 H GLN A 49 1.651 -8.584 8.985 1.00 0.00 H new ATOM 0 HA GLN A 49 1.047 -9.544 7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.353 -10.352 8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.691 -11.230 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.540 -11.298 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.607 -10.758 10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.028 -13.419 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.843 -14.640 9.679 1.00 0.00 H new ATOM 758 N GLN A 50 -0.429 -7.243 6.457 1.00 0.00 N ATOM 759 CA GLN A 50 -1.214 -6.375 5.604 1.00 0.00 C ATOM 760 C GLN A 50 -0.514 -6.080 4.287 1.00 0.00 C ATOM 761 O GLN A 50 0.580 -6.575 4.037 1.00 0.00 O ATOM 762 CB GLN A 50 -1.625 -5.124 6.401 1.00 0.00 C ATOM 763 CG GLN A 50 -3.148 -4.948 6.457 1.00 0.00 C ATOM 764 CD GLN A 50 -3.934 -6.219 6.798 1.00 0.00 C ATOM 765 OE1 GLN A 50 -4.852 -6.623 6.082 1.00 0.00 O ATOM 766 NE2 GLN A 50 -3.528 -6.944 7.820 1.00 0.00 N ATOM 0 H GLN A 50 0.386 -6.776 6.855 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.131 -6.883 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.232 -5.196 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.175 -4.241 5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.383 -4.183 7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.491 -4.574 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.768 -6.610 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.973 -7.840 8.019 1.00 0.00 H new ATOM 775 N TYR A 51 -1.166 -5.286 3.445 1.00 0.00 N ATOM 776 CA TYR A 51 -0.693 -4.915 2.126 1.00 0.00 C ATOM 777 C TYR A 51 -0.621 -3.399 2.028 1.00 0.00 C ATOM 778 O TYR A 51 -1.502 -2.684 2.516 1.00 0.00 O ATOM 779 CB TYR A 51 -1.640 -5.484 1.078 1.00 0.00 C ATOM 780 CG TYR A 51 -1.445 -6.962 0.821 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.143 -7.917 1.582 1.00 0.00 C ATOM 782 CD2 TYR A 51 -0.579 -7.382 -0.205 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.020 -9.285 1.282 1.00 0.00 C ATOM 784 CE2 TYR A 51 -0.488 -8.742 -0.546 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.229 -9.700 0.184 1.00 0.00 C ATOM 786 OH TYR A 51 -1.183 -11.016 -0.167 1.00 0.00 O ATOM 0 H TYR A 51 -2.069 -4.871 3.675 1.00 0.00 H new ATOM 0 HA TYR A 51 0.303 -5.321 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.668 -5.312 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.502 -4.940 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.775 -7.599 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.019 -6.655 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.529 -10.019 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.146 -9.055 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.594 -11.127 -0.942 1.00 0.00 H new ATOM 796 N LEU A 52 0.434 -2.909 1.390 1.00 0.00 N ATOM 797 CA LEU A 52 0.759 -1.497 1.285 1.00 0.00 C ATOM 798 C LEU A 52 1.051 -1.190 -0.191 1.00 0.00 C ATOM 799 O LEU A 52 1.235 -2.099 -0.998 1.00 0.00 O ATOM 800 CB LEU A 52 1.961 -1.167 2.203 1.00 0.00 C ATOM 801 CG LEU A 52 1.857 -1.553 3.702 1.00 0.00 C ATOM 802 CD1 LEU A 52 3.120 -1.165 4.481 1.00 0.00 C ATOM 803 CD2 LEU A 52 0.717 -0.842 4.431 1.00 0.00 C ATOM 0 H LEU A 52 1.110 -3.508 0.915 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.071 -0.873 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.842 -1.660 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.141 -0.093 2.146 1.00 0.00 H new ATOM 0 HG LEU A 52 1.696 -2.631 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.006 -1.453 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.982 -1.679 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.271 -0.087 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.700 -1.157 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.869 0.236 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.232 -1.098 3.960 1.00 0.00 H new ATOM 815 N TYR A 53 1.120 0.083 -0.570 1.00 0.00 N ATOM 816 CA TYR A 53 1.671 0.539 -1.843 1.00 0.00 C ATOM 817 C TYR A 53 2.737 1.579 -1.532 1.00 0.00 C ATOM 818 O TYR A 53 2.721 2.185 -0.460 1.00 0.00 O ATOM 819 CB TYR A 53 0.592 1.072 -2.796 1.00 0.00 C ATOM 820 CG TYR A 53 -0.086 2.383 -2.424 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.986 2.435 -1.348 1.00 0.00 C ATOM 822 CD2 TYR A 53 0.147 3.550 -3.178 1.00 0.00 C ATOM 823 CE1 TYR A 53 -1.666 3.618 -1.036 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.501 4.757 -2.860 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.435 4.788 -1.794 1.00 0.00 C ATOM 826 OH TYR A 53 -2.068 5.939 -1.429 1.00 0.00 O ATOM 0 H TYR A 53 0.785 0.847 0.016 1.00 0.00 H new ATOM 0 HA TYR A 53 2.115 -0.302 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.043 1.194 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.180 0.309 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.156 1.550 -0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.833 3.517 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.368 3.637 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.289 5.653 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.813 6.661 -2.041 1.00 0.00 H new ATOM 836 N TRP A 54 3.755 1.691 -2.373 1.00 0.00 N ATOM 837 CA TRP A 54 4.679 2.809 -2.351 1.00 0.00 C ATOM 838 C TRP A 54 4.068 3.885 -3.247 1.00 0.00 C ATOM 839 O TRP A 54 3.333 3.576 -4.189 1.00 0.00 O ATOM 840 CB TRP A 54 6.057 2.359 -2.860 1.00 0.00 C ATOM 841 CG TRP A 54 7.021 3.483 -3.068 1.00 0.00 C ATOM 842 CD1 TRP A 54 7.364 4.012 -4.263 1.00 0.00 C ATOM 843 CD2 TRP A 54 7.717 4.279 -2.066 1.00 0.00 C ATOM 844 NE1 TRP A 54 8.201 5.091 -4.067 1.00 0.00 N ATOM 845 CE2 TRP A 54 8.426 5.323 -2.728 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.820 4.222 -0.662 1.00 0.00 C ATOM 847 CZ2 TRP A 54 9.168 6.285 -2.029 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.585 5.162 0.047 1.00 0.00 C ATOM 849 CH2 TRP A 54 9.244 6.204 -0.630 1.00 0.00 C ATOM 0 H TRP A 54 3.962 1.001 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 54 4.830 3.197 -1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.484 1.654 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.929 1.824 -3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.034 3.646 -5.224 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.604 5.648 -4.821 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.302 3.443 -0.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.674 7.078 -2.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.668 5.084 1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.807 6.940 -0.075 1.00 0.00 H new ATOM 860 N ASP A 55 4.387 5.146 -2.982 1.00 0.00 N ATOM 861 CA ASP A 55 4.118 6.236 -3.906 1.00 0.00 C ATOM 862 C ASP A 55 5.254 7.245 -3.772 1.00 0.00 C ATOM 863 O ASP A 55 5.872 7.350 -2.710 1.00 0.00 O ATOM 864 CB ASP A 55 2.789 6.902 -3.575 1.00 0.00 C ATOM 865 CG ASP A 55 2.334 7.925 -4.613 1.00 0.00 C ATOM 866 OD1 ASP A 55 2.827 7.923 -5.768 1.00 0.00 O ATOM 867 OD2 ASP A 55 1.515 8.779 -4.210 1.00 0.00 O ATOM 0 H ASP A 55 4.841 5.440 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 55 4.056 5.857 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.023 6.133 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.872 7.394 -2.606 1.00 0.00 H new ATOM 872 N GLY A 56 5.508 8.035 -4.810 1.00 0.00 N ATOM 873 CA GLY A 56 6.535 9.062 -4.784 1.00 0.00 C ATOM 874 C GLY A 56 5.956 10.455 -4.553 1.00 0.00 C ATOM 875 O GLY A 56 6.725 11.387 -4.317 1.00 0.00 O ATOM 0 H GLY A 56 5.004 7.978 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.253 8.834 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.082 9.050 -5.727 1.00 0.00 H new ATOM 879 N GLU A 57 4.627 10.631 -4.562 1.00 0.00 N ATOM 880 CA GLU A 57 4.051 11.939 -4.285 1.00 0.00 C ATOM 881 C GLU A 57 4.181 12.199 -2.786 1.00 0.00 C ATOM 882 O GLU A 57 4.614 13.277 -2.376 1.00 0.00 O ATOM 883 CB GLU A 57 2.587 12.019 -4.731 1.00 0.00 C ATOM 884 CG GLU A 57 2.375 11.688 -6.216 1.00 0.00 C ATOM 885 CD GLU A 57 0.932 11.909 -6.682 1.00 0.00 C ATOM 886 OE1 GLU A 57 -0.015 11.825 -5.865 1.00 0.00 O ATOM 887 OE2 GLU A 57 0.707 12.170 -7.885 1.00 0.00 O ATOM 0 H GLU A 57 3.948 9.895 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 57 4.587 12.702 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.994 11.332 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.211 13.023 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.043 12.304 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.653 10.649 -6.394 1.00 0.00 H new ATOM 894 N ARG A 58 3.868 11.191 -1.966 1.00 0.00 N ATOM 895 CA ARG A 58 3.905 11.276 -0.510 1.00 0.00 C ATOM 896 C ARG A 58 5.156 10.609 0.087 1.00 0.00 C ATOM 897 O ARG A 58 5.348 10.732 1.297 1.00 0.00 O ATOM 898 CB ARG A 58 2.597 10.682 0.049 1.00 0.00 C ATOM 899 CG ARG A 58 1.330 11.454 -0.344 1.00 0.00 C ATOM 900 CD ARG A 58 0.101 10.712 0.211 1.00 0.00 C ATOM 901 NE ARG A 58 -1.068 11.582 0.380 1.00 0.00 N ATOM 902 CZ ARG A 58 -2.231 11.238 0.942 1.00 0.00 C ATOM 903 NH1 ARG A 58 -2.476 9.997 1.335 1.00 0.00 N ATOM 904 NH2 ARG A 58 -3.152 12.167 1.153 1.00 0.00 N ATOM 0 H ARG A 58 3.576 10.275 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 58 3.977 12.323 -0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.503 9.653 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.664 10.647 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.369 12.468 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.261 11.538 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.157 9.894 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.357 10.266 1.172 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.986 12.539 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.767 9.274 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.373 9.765 1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.970 13.135 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.043 11.914 1.581 1.00 0.00 H new ATOM 918 N ARG A 59 6.000 9.947 -0.729 1.00 0.00 N ATOM 919 CA ARG A 59 7.264 9.290 -0.353 1.00 0.00 C ATOM 920 C ARG A 59 7.127 8.487 0.932 1.00 0.00 C ATOM 921 O ARG A 59 7.831 8.699 1.915 1.00 0.00 O ATOM 922 CB ARG A 59 8.473 10.241 -0.344 1.00 0.00 C ATOM 923 CG ARG A 59 8.864 10.675 -1.762 1.00 0.00 C ATOM 924 CD ARG A 59 10.106 11.570 -1.732 1.00 0.00 C ATOM 925 NE ARG A 59 10.681 11.783 -3.076 1.00 0.00 N ATOM 926 CZ ARG A 59 10.735 12.933 -3.762 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.046 14.001 -3.378 1.00 0.00 N ATOM 928 NH2 ARG A 59 11.499 13.005 -4.845 1.00 0.00 N ATOM 0 H ARG A 59 5.805 9.852 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 59 7.480 8.575 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.239 11.121 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.320 9.748 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.058 9.796 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.035 11.210 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.845 12.534 -1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.859 11.120 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 59 11.081 10.964 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.460 13.957 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.103 14.865 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.036 12.191 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.549 13.874 -5.377 1.00 0.00 H new ATOM 942 N THR A 60 6.204 7.542 0.920 1.00 0.00 N ATOM 943 CA THR A 60 5.966 6.640 2.020 1.00 0.00 C ATOM 944 C THR A 60 5.427 5.333 1.445 1.00 0.00 C ATOM 945 O THR A 60 4.789 5.305 0.385 1.00 0.00 O ATOM 946 CB THR A 60 5.002 7.323 3.019 1.00 0.00 C ATOM 947 OG1 THR A 60 4.731 6.509 4.147 1.00 0.00 O ATOM 948 CG2 THR A 60 3.671 7.763 2.392 1.00 0.00 C ATOM 0 H THR A 60 5.587 7.381 0.124 1.00 0.00 H new ATOM 0 HA THR A 60 6.875 6.404 2.573 1.00 0.00 H new ATOM 0 HB THR A 60 5.536 8.219 3.336 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.261 5.698 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.048 8.233 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.864 8.476 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.154 6.893 1.987 1.00 0.00 H new ATOM 956 N TYR A 61 5.601 4.249 2.195 1.00 0.00 N ATOM 957 CA TYR A 61 4.721 3.101 2.083 1.00 0.00 C ATOM 958 C TYR A 61 3.412 3.483 2.780 1.00 0.00 C ATOM 959 O TYR A 61 3.433 4.029 3.891 1.00 0.00 O ATOM 960 CB TYR A 61 5.385 1.874 2.726 1.00 0.00 C ATOM 961 CG TYR A 61 6.835 1.618 2.325 1.00 0.00 C ATOM 962 CD1 TYR A 61 7.160 0.982 1.111 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.877 2.011 3.185 1.00 0.00 C ATOM 964 CE1 TYR A 61 8.493 0.664 0.789 1.00 0.00 C ATOM 965 CE2 TYR A 61 9.216 1.734 2.852 1.00 0.00 C ATOM 966 CZ TYR A 61 9.535 1.006 1.681 1.00 0.00 C ATOM 967 OH TYR A 61 10.829 0.645 1.438 1.00 0.00 O ATOM 0 H TYR A 61 6.345 4.146 2.885 1.00 0.00 H new ATOM 0 HA TYR A 61 4.520 2.837 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.342 1.987 3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.797 0.992 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.373 0.734 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.648 2.528 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.719 0.159 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.009 2.081 3.498 1.00 0.00 H new ATOM 0 HH TYR A 61 10.850 -0.254 1.049 1.00 0.00 H new ATOM 977 N VAL A 62 2.283 3.312 2.108 1.00 0.00 N ATOM 978 CA VAL A 62 0.932 3.633 2.568 1.00 0.00 C ATOM 979 C VAL A 62 0.000 2.422 2.456 1.00 0.00 C ATOM 980 O VAL A 62 0.244 1.551 1.624 1.00 0.00 O ATOM 981 CB VAL A 62 0.385 4.874 1.828 1.00 0.00 C ATOM 982 CG1 VAL A 62 0.604 6.127 2.679 1.00 0.00 C ATOM 983 CG2 VAL A 62 1.021 5.119 0.447 1.00 0.00 C ATOM 0 H VAL A 62 2.282 2.920 1.166 1.00 0.00 H new ATOM 0 HA VAL A 62 0.979 3.885 3.627 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.674 4.671 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.216 6.998 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.082 6.017 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.670 6.260 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.581 6.009 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.095 5.264 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.838 4.258 -0.196 1.00 0.00 H new ATOM 993 N PRO A 63 -1.071 2.334 3.261 1.00 0.00 N ATOM 994 CA PRO A 63 -1.958 1.179 3.273 1.00 0.00 C ATOM 995 C PRO A 63 -2.819 1.112 2.012 1.00 0.00 C ATOM 996 O PRO A 63 -3.588 2.037 1.737 1.00 0.00 O ATOM 997 CB PRO A 63 -2.782 1.311 4.555 1.00 0.00 C ATOM 998 CG PRO A 63 -2.781 2.808 4.857 1.00 0.00 C ATOM 999 CD PRO A 63 -1.427 3.264 4.324 1.00 0.00 C ATOM 0 HA PRO A 63 -1.404 0.240 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.796 0.935 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.340 0.741 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.604 3.321 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.882 3.005 5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.482 4.285 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.676 3.257 5.114 1.00 0.00 H new ATOM 1007 N ALA A 64 -2.733 -0.004 1.270 1.00 0.00 N ATOM 1008 CA ALA A 64 -3.412 -0.160 -0.019 1.00 0.00 C ATOM 1009 C ALA A 64 -4.810 -0.766 0.054 1.00 0.00 C ATOM 1010 O ALA A 64 -5.386 -1.174 -0.954 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.513 -0.942 -0.987 1.00 0.00 C ATOM 0 H ALA A 64 -2.190 -0.821 1.550 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.579 0.850 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.022 -1.056 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.579 -0.400 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.299 -1.926 -0.570 1.00 0.00 H new