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 32 THR OG1 : rot -56:sc= 2.29 USER MOD Set 1.2: A 61 TYR OH : rot -113:sc= 1.01 USER MOD Set 2.1: A 18 TYR OH : rot 100:sc= 0.933 USER MOD Set 2.2: A 43 TYR OH : rot 171:sc= 1.09 USER MOD Set 3.1: A 36 TYR OH : rot 0:sc= 0.221 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.305 K(o=0.53,f=-2.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -44:sc= 0.00473 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) 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 26 TYR OH : 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= -0.0607 K(o=-0.061,f=-1.1) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 40 SER OG : rot -70:sc= 0.082 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0473 USER MOD Single : A 45 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.8) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 40:sc= 0.0399 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.58) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 11.466 8.014 4.107 1.00 0.00 N ATOM 135 CA TYR A 10 11.982 6.653 4.161 1.00 0.00 C ATOM 136 C TYR A 10 13.395 6.576 3.545 1.00 0.00 C ATOM 137 O TYR A 10 13.806 7.507 2.842 1.00 0.00 O ATOM 138 CB TYR A 10 10.976 5.751 3.424 1.00 0.00 C ATOM 139 CG TYR A 10 9.658 5.580 4.163 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.631 6.535 4.033 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.466 4.465 4.999 1.00 0.00 C ATOM 142 CE1 TYR A 10 7.417 6.377 4.723 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.248 4.287 5.679 1.00 0.00 C ATOM 144 CZ TYR A 10 7.219 5.245 5.544 1.00 0.00 C ATOM 145 OH TYR A 10 6.054 5.084 6.225 1.00 0.00 O ATOM 0 HA TYR A 10 12.086 6.317 5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.778 6.171 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.426 4.770 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.778 7.396 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.259 3.741 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.638 7.119 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.100 3.419 6.304 1.00 0.00 H new ATOM 0 HH TYR A 10 6.088 4.250 6.739 1.00 0.00 H new ATOM 155 N PRO A 11 14.154 5.495 3.810 1.00 0.00 N ATOM 156 CA PRO A 11 15.372 5.153 3.079 1.00 0.00 C ATOM 157 C PRO A 11 15.013 4.637 1.678 1.00 0.00 C ATOM 158 O PRO A 11 13.877 4.771 1.230 1.00 0.00 O ATOM 159 CB PRO A 11 16.053 4.093 3.953 1.00 0.00 C ATOM 160 CG PRO A 11 14.871 3.331 4.529 1.00 0.00 C ATOM 161 CD PRO A 11 13.841 4.433 4.764 1.00 0.00 C ATOM 0 HA PRO A 11 16.037 6.000 2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.707 3.446 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.665 4.544 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.502 2.573 3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.133 2.818 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.829 4.059 4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.893 4.802 5.788 1.00 0.00 H new ATOM 169 N VAL A 12 15.978 4.044 0.977 1.00 0.00 N ATOM 170 CA VAL A 12 15.776 3.390 -0.311 1.00 0.00 C ATOM 171 C VAL A 12 15.861 1.868 -0.082 1.00 0.00 C ATOM 172 O VAL A 12 16.966 1.318 -0.109 1.00 0.00 O ATOM 173 CB VAL A 12 16.725 3.975 -1.377 1.00 0.00 C ATOM 174 CG1 VAL A 12 16.454 3.368 -2.761 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.538 5.503 -1.480 1.00 0.00 C ATOM 0 H VAL A 12 16.945 4.005 1.299 1.00 0.00 H new ATOM 0 HA VAL A 12 14.788 3.585 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 12 17.742 3.735 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.140 3.802 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.603 2.289 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.427 3.582 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.214 5.902 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.508 5.725 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.759 5.962 -0.517 1.00 0.00 H new ATOM 185 N PRO A 13 14.757 1.187 0.285 1.00 0.00 N ATOM 186 CA PRO A 13 14.730 -0.267 0.489 1.00 0.00 C ATOM 187 C PRO A 13 14.997 -0.995 -0.837 1.00 0.00 C ATOM 188 O PRO A 13 14.861 -0.391 -1.903 1.00 0.00 O ATOM 189 CB PRO A 13 13.321 -0.556 1.020 1.00 0.00 C ATOM 190 CG PRO A 13 12.481 0.515 0.324 1.00 0.00 C ATOM 191 CD PRO A 13 13.402 1.724 0.355 1.00 0.00 C ATOM 0 HA PRO A 13 15.497 -0.613 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.989 -1.562 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.270 -0.470 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.221 0.229 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.546 0.703 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.201 2.391 -0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.257 2.304 1.266 1.00 0.00 H new ATOM 199 N ASP A 14 15.322 -2.296 -0.826 1.00 0.00 N ATOM 200 CA ASP A 14 15.594 -3.031 -2.075 1.00 0.00 C ATOM 201 C ASP A 14 15.301 -4.528 -1.970 1.00 0.00 C ATOM 202 O ASP A 14 15.617 -5.151 -0.954 1.00 0.00 O ATOM 203 CB ASP A 14 17.061 -2.836 -2.489 1.00 0.00 C ATOM 204 CG ASP A 14 17.225 -2.940 -4.004 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.048 -4.050 -4.546 1.00 0.00 O ATOM 206 OD2 ASP A 14 17.552 -1.908 -4.644 1.00 0.00 O ATOM 0 H ASP A 14 15.403 -2.857 0.022 1.00 0.00 H new ATOM 0 HA ASP A 14 14.921 -2.619 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.411 -1.862 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.682 -3.587 -2.001 1.00 0.00 H new ATOM 211 N VAL A 15 14.780 -5.127 -3.044 1.00 0.00 N ATOM 212 CA VAL A 15 14.600 -6.570 -3.192 1.00 0.00 C ATOM 213 C VAL A 15 15.918 -7.347 -3.105 1.00 0.00 C ATOM 214 O VAL A 15 15.907 -8.521 -2.727 1.00 0.00 O ATOM 215 CB VAL A 15 13.789 -6.851 -4.476 1.00 0.00 C ATOM 216 CG1 VAL A 15 14.515 -6.400 -5.746 1.00 0.00 C ATOM 217 CG2 VAL A 15 13.393 -8.321 -4.639 1.00 0.00 C ATOM 0 H VAL A 15 14.462 -4.603 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 15 14.024 -6.945 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 15 12.883 -6.259 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 13.898 -6.623 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.700 -5.327 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.464 -6.929 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.826 -8.445 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.291 -8.937 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.779 -8.629 -3.792 1.00 0.00 H new ATOM 227 N SER A 16 17.065 -6.689 -3.315 1.00 0.00 N ATOM 228 CA SER A 16 18.395 -7.240 -3.069 1.00 0.00 C ATOM 229 C SER A 16 18.598 -7.703 -1.610 1.00 0.00 C ATOM 230 O SER A 16 19.639 -8.299 -1.307 1.00 0.00 O ATOM 231 CB SER A 16 19.445 -6.200 -3.496 1.00 0.00 C ATOM 232 OG SER A 16 20.668 -6.802 -3.899 1.00 0.00 O ATOM 0 H SER A 16 17.090 -5.733 -3.670 1.00 0.00 H new ATOM 0 HA SER A 16 18.511 -8.144 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.049 -5.603 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.634 -5.517 -2.668 1.00 0.00 H new ATOM 0 HG SER A 16 21.304 -6.105 -4.163 1.00 0.00 H new ATOM 238 N THR A 17 17.641 -7.471 -0.703 1.00 0.00 N ATOM 239 CA THR A 17 17.714 -7.935 0.670 1.00 0.00 C ATOM 240 C THR A 17 16.387 -8.519 1.200 1.00 0.00 C ATOM 241 O THR A 17 16.263 -8.761 2.404 1.00 0.00 O ATOM 242 CB THR A 17 18.367 -6.800 1.486 1.00 0.00 C ATOM 243 OG1 THR A 17 18.988 -7.317 2.634 1.00 0.00 O ATOM 244 CG2 THR A 17 17.469 -5.616 1.842 1.00 0.00 C ATOM 0 H THR A 17 16.790 -6.950 -0.913 1.00 0.00 H new ATOM 0 HA THR A 17 18.348 -8.817 0.766 1.00 0.00 H new ATOM 0 HB THR A 17 19.106 -6.372 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.396 -7.973 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 17 18.040 -4.885 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.099 -5.152 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.626 -5.965 2.438 1.00 0.00 H new ATOM 252 N TYR A 18 15.392 -8.795 0.345 1.00 0.00 N ATOM 253 CA TYR A 18 14.159 -9.448 0.788 1.00 0.00 C ATOM 254 C TYR A 18 14.397 -10.929 1.108 1.00 0.00 C ATOM 255 O TYR A 18 15.398 -11.524 0.694 1.00 0.00 O ATOM 256 CB TYR A 18 13.051 -9.277 -0.266 1.00 0.00 C ATOM 257 CG TYR A 18 12.542 -7.859 -0.484 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.960 -6.800 0.343 1.00 0.00 C ATOM 259 CD2 TYR A 18 11.701 -7.580 -1.578 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.646 -5.477 0.010 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.400 -6.249 -1.925 1.00 0.00 C ATOM 262 CZ TYR A 18 11.897 -5.183 -1.144 1.00 0.00 C ATOM 263 OH TYR A 18 11.698 -3.881 -1.495 1.00 0.00 O ATOM 0 H TYR A 18 15.419 -8.576 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 18 13.831 -8.965 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 18 13.422 -9.658 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.206 -9.904 0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.526 -7.009 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.284 -8.392 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.983 -4.672 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.788 -6.043 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 18 12.327 -3.634 -2.205 1.00 0.00 H new ATOM 273 N GLN A 19 13.445 -11.532 1.820 1.00 0.00 N ATOM 274 CA GLN A 19 13.355 -12.971 2.057 1.00 0.00 C ATOM 275 C GLN A 19 12.197 -13.529 1.247 1.00 0.00 C ATOM 276 O GLN A 19 11.094 -12.997 1.343 1.00 0.00 O ATOM 277 CB GLN A 19 13.104 -13.252 3.546 1.00 0.00 C ATOM 278 CG GLN A 19 14.364 -13.034 4.388 1.00 0.00 C ATOM 279 CD GLN A 19 14.353 -13.859 5.676 1.00 0.00 C ATOM 280 OE1 GLN A 19 15.032 -14.879 5.776 1.00 0.00 O ATOM 281 NE2 GLN A 19 13.598 -13.467 6.681 1.00 0.00 N ATOM 0 H GLN A 19 12.688 -11.012 2.263 1.00 0.00 H new ATOM 0 HA GLN A 19 14.292 -13.442 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.308 -12.602 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.758 -14.278 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.242 -13.297 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.453 -11.977 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.035 -12.620 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.576 -14.010 7.544 1.00 0.00 H new ATOM 290 N TYR A 20 12.419 -14.587 0.475 1.00 0.00 N ATOM 291 CA TYR A 20 11.351 -15.331 -0.176 1.00 0.00 C ATOM 292 C TYR A 20 10.668 -16.248 0.826 1.00 0.00 C ATOM 293 O TYR A 20 11.320 -16.771 1.730 1.00 0.00 O ATOM 294 CB TYR A 20 11.965 -16.190 -1.272 1.00 0.00 C ATOM 295 CG TYR A 20 10.982 -16.880 -2.193 1.00 0.00 C ATOM 296 CD1 TYR A 20 10.172 -16.112 -3.044 1.00 0.00 C ATOM 297 CD2 TYR A 20 10.922 -18.282 -2.258 1.00 0.00 C ATOM 298 CE1 TYR A 20 9.385 -16.723 -4.030 1.00 0.00 C ATOM 299 CE2 TYR A 20 10.115 -18.906 -3.223 1.00 0.00 C ATOM 300 CZ TYR A 20 9.378 -18.129 -4.144 1.00 0.00 C ATOM 301 OH TYR A 20 8.681 -18.728 -5.150 1.00 0.00 O ATOM 0 H TYR A 20 13.351 -14.954 0.283 1.00 0.00 H new ATOM 0 HA TYR A 20 10.620 -14.634 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 20 12.621 -15.563 -1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 20 12.592 -16.950 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.155 -15.037 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 20 11.496 -18.880 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.788 -16.121 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.058 -19.984 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 20 8.782 -19.701 -5.084 1.00 0.00 H new ATOM 311 N ASP A 21 9.388 -16.521 0.611 1.00 0.00 N ATOM 312 CA ASP A 21 8.614 -17.480 1.394 1.00 0.00 C ATOM 313 C ASP A 21 7.937 -18.432 0.414 1.00 0.00 C ATOM 314 O ASP A 21 6.803 -18.220 -0.005 1.00 0.00 O ATOM 315 CB ASP A 21 7.587 -16.737 2.257 1.00 0.00 C ATOM 316 CG ASP A 21 7.939 -16.443 3.715 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.025 -15.888 4.002 1.00 0.00 O ATOM 318 OD2 ASP A 21 7.019 -16.574 4.558 1.00 0.00 O ATOM 0 H ASP A 21 8.846 -16.073 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 21 9.254 -18.047 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.370 -15.786 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.665 -17.318 2.249 1.00 0.00 H new ATOM 323 N GLU A 22 8.640 -19.502 0.056 1.00 0.00 N ATOM 324 CA GLU A 22 8.205 -20.627 -0.786 1.00 0.00 C ATOM 325 C GLU A 22 6.895 -21.278 -0.314 1.00 0.00 C ATOM 326 O GLU A 22 6.211 -21.911 -1.116 1.00 0.00 O ATOM 327 CB GLU A 22 9.325 -21.689 -0.896 1.00 0.00 C ATOM 328 CG GLU A 22 10.228 -21.771 0.334 1.00 0.00 C ATOM 329 CD GLU A 22 11.291 -22.871 0.300 1.00 0.00 C ATOM 330 OE1 GLU A 22 10.964 -24.055 0.091 1.00 0.00 O ATOM 331 OE2 GLU A 22 12.470 -22.542 0.581 1.00 0.00 O ATOM 0 H GLU A 22 9.604 -19.621 0.368 1.00 0.00 H new ATOM 0 HA GLU A 22 8.001 -20.207 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.870 -22.665 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.938 -21.466 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.728 -20.811 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.602 -21.922 1.213 1.00 0.00 H new ATOM 338 N THR A 23 6.503 -21.085 0.947 1.00 0.00 N ATOM 339 CA THR A 23 5.176 -21.433 1.457 1.00 0.00 C ATOM 340 C THR A 23 4.055 -20.844 0.565 1.00 0.00 C ATOM 341 O THR A 23 3.065 -21.541 0.330 1.00 0.00 O ATOM 342 CB THR A 23 5.098 -21.042 2.955 1.00 0.00 C ATOM 343 OG1 THR A 23 4.004 -21.609 3.644 1.00 0.00 O ATOM 344 CG2 THR A 23 5.054 -19.532 3.156 1.00 0.00 C ATOM 0 H THR A 23 7.111 -20.674 1.656 1.00 0.00 H new ATOM 0 HA THR A 23 5.012 -22.509 1.405 1.00 0.00 H new ATOM 0 HB THR A 23 6.015 -21.452 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.022 -21.320 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.000 -19.308 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.954 -19.083 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.177 -19.124 2.654 1.00 0.00 H new ATOM 352 N SER A 24 4.227 -19.629 0.012 1.00 0.00 N ATOM 353 CA SER A 24 3.230 -18.939 -0.818 1.00 0.00 C ATOM 354 C SER A 24 3.829 -18.226 -2.049 1.00 0.00 C ATOM 355 O SER A 24 3.080 -17.773 -2.914 1.00 0.00 O ATOM 356 CB SER A 24 2.411 -17.970 0.055 1.00 0.00 C ATOM 357 OG SER A 24 1.741 -18.688 1.080 1.00 0.00 O ATOM 0 H SER A 24 5.084 -19.090 0.135 1.00 0.00 H new ATOM 0 HA SER A 24 2.572 -19.704 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.068 -17.220 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.686 -17.437 -0.560 1.00 0.00 H new ATOM 0 HG SER A 24 1.224 -18.065 1.632 1.00 0.00 H new ATOM 363 N GLY A 25 5.156 -18.135 -2.193 1.00 0.00 N ATOM 364 CA GLY A 25 5.811 -17.716 -3.426 1.00 0.00 C ATOM 365 C GLY A 25 6.009 -16.205 -3.534 1.00 0.00 C ATOM 366 O GLY A 25 6.194 -15.703 -4.642 1.00 0.00 O ATOM 0 H GLY A 25 5.810 -18.355 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.782 -18.207 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.219 -18.058 -4.275 1.00 0.00 H new ATOM 370 N TYR A 26 5.970 -15.479 -2.418 1.00 0.00 N ATOM 371 CA TYR A 26 6.119 -14.026 -2.340 1.00 0.00 C ATOM 372 C TYR A 26 7.456 -13.687 -1.672 1.00 0.00 C ATOM 373 O TYR A 26 8.179 -14.580 -1.219 1.00 0.00 O ATOM 374 CB TYR A 26 4.925 -13.472 -1.548 1.00 0.00 C ATOM 375 CG TYR A 26 3.682 -13.284 -2.384 1.00 0.00 C ATOM 376 CD1 TYR A 26 2.823 -14.374 -2.597 1.00 0.00 C ATOM 377 CD2 TYR A 26 3.376 -12.031 -2.940 1.00 0.00 C ATOM 378 CE1 TYR A 26 1.640 -14.213 -3.332 1.00 0.00 C ATOM 379 CE2 TYR A 26 2.193 -11.861 -3.680 1.00 0.00 C ATOM 380 CZ TYR A 26 1.318 -12.952 -3.875 1.00 0.00 C ATOM 381 OH TYR A 26 0.159 -12.800 -4.572 1.00 0.00 O ATOM 0 H TYR A 26 5.827 -15.906 -1.503 1.00 0.00 H new ATOM 0 HA TYR A 26 6.126 -13.572 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.700 -14.149 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.204 -12.515 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.075 -15.343 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.049 -11.198 -2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.977 -15.052 -3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.953 -10.895 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 26 0.082 -11.873 -4.880 1.00 0.00 H new ATOM 391 N TYR A 27 7.795 -12.399 -1.618 1.00 0.00 N ATOM 392 CA TYR A 27 8.992 -11.885 -0.972 1.00 0.00 C ATOM 393 C TYR A 27 8.586 -10.907 0.125 1.00 0.00 C ATOM 394 O TYR A 27 7.578 -10.220 -0.002 1.00 0.00 O ATOM 395 CB TYR A 27 9.866 -11.176 -2.011 1.00 0.00 C ATOM 396 CG TYR A 27 10.535 -12.099 -2.998 1.00 0.00 C ATOM 397 CD1 TYR A 27 11.786 -12.654 -2.684 1.00 0.00 C ATOM 398 CD2 TYR A 27 9.909 -12.412 -4.218 1.00 0.00 C ATOM 399 CE1 TYR A 27 12.408 -13.531 -3.583 1.00 0.00 C ATOM 400 CE2 TYR A 27 10.534 -13.286 -5.128 1.00 0.00 C ATOM 401 CZ TYR A 27 11.789 -13.853 -4.808 1.00 0.00 C ATOM 402 OH TYR A 27 12.397 -14.712 -5.668 1.00 0.00 O ATOM 0 H TYR A 27 7.223 -11.666 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 27 9.559 -12.705 -0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.251 -10.463 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.633 -10.602 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.269 -12.405 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.948 -11.981 -4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.367 -13.962 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.056 -13.522 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 27 11.838 -14.828 -6.465 1.00 0.00 H new ATOM 412 N TYR A 28 9.407 -10.786 1.162 1.00 0.00 N ATOM 413 CA TYR A 28 9.155 -9.980 2.348 1.00 0.00 C ATOM 414 C TYR A 28 10.305 -9.005 2.593 1.00 0.00 C ATOM 415 O TYR A 28 11.475 -9.386 2.500 1.00 0.00 O ATOM 416 CB TYR A 28 8.987 -10.925 3.538 1.00 0.00 C ATOM 417 CG TYR A 28 8.827 -10.234 4.870 1.00 0.00 C ATOM 418 CD1 TYR A 28 7.712 -9.418 5.114 1.00 0.00 C ATOM 419 CD2 TYR A 28 9.792 -10.426 5.870 1.00 0.00 C ATOM 420 CE1 TYR A 28 7.539 -8.834 6.377 1.00 0.00 C ATOM 421 CE2 TYR A 28 9.674 -9.782 7.112 1.00 0.00 C ATOM 422 CZ TYR A 28 8.526 -9.000 7.372 1.00 0.00 C ATOM 423 OH TYR A 28 8.345 -8.439 8.596 1.00 0.00 O ATOM 0 H TYR A 28 10.305 -11.268 1.199 1.00 0.00 H new ATOM 0 HA TYR A 28 8.250 -9.388 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.116 -11.556 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.854 -11.584 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.989 -9.240 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.634 -11.076 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.651 -8.257 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.449 -9.883 7.857 1.00 0.00 H new ATOM 0 HH TYR A 28 9.113 -8.646 9.168 1.00 0.00 H new ATOM 433 N ASP A 29 9.962 -7.764 2.938 1.00 0.00 N ATOM 434 CA ASP A 29 10.842 -6.632 3.227 1.00 0.00 C ATOM 435 C ASP A 29 11.069 -6.439 4.722 1.00 0.00 C ATOM 436 O ASP A 29 10.271 -5.752 5.355 1.00 0.00 O ATOM 437 CB ASP A 29 10.380 -5.305 2.627 1.00 0.00 C ATOM 438 CG ASP A 29 11.308 -4.179 3.109 1.00 0.00 C ATOM 439 OD1 ASP A 29 12.553 -4.343 3.038 1.00 0.00 O ATOM 440 OD2 ASP A 29 10.784 -3.193 3.673 1.00 0.00 O ATOM 0 H ASP A 29 8.980 -7.503 3.030 1.00 0.00 H new ATOM 0 HA ASP A 29 11.779 -6.906 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.392 -5.361 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.352 -5.097 2.924 1.00 0.00 H new ATOM 445 N PRO A 30 12.066 -7.065 5.358 1.00 0.00 N ATOM 446 CA PRO A 30 12.339 -6.796 6.765 1.00 0.00 C ATOM 447 C PRO A 30 12.646 -5.328 7.098 1.00 0.00 C ATOM 448 O PRO A 30 12.707 -4.994 8.282 1.00 0.00 O ATOM 449 CB PRO A 30 13.531 -7.672 7.113 1.00 0.00 C ATOM 450 CG PRO A 30 14.247 -7.911 5.784 1.00 0.00 C ATOM 451 CD PRO A 30 13.127 -7.848 4.748 1.00 0.00 C ATOM 0 HA PRO A 30 11.444 -7.015 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.186 -7.180 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.212 -8.612 7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.007 -7.152 5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.751 -8.877 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.474 -7.384 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.776 -8.847 4.490 1.00 0.00 H new ATOM 459 N GLN A 31 12.856 -4.449 6.115 1.00 0.00 N ATOM 460 CA GLN A 31 13.070 -3.036 6.398 1.00 0.00 C ATOM 461 C GLN A 31 11.783 -2.419 6.970 1.00 0.00 C ATOM 462 O GLN A 31 11.873 -1.650 7.931 1.00 0.00 O ATOM 463 CB GLN A 31 13.588 -2.302 5.145 1.00 0.00 C ATOM 464 CG GLN A 31 14.506 -1.109 5.450 1.00 0.00 C ATOM 465 CD GLN A 31 13.729 0.177 5.710 1.00 0.00 C ATOM 466 OE1 GLN A 31 13.124 0.738 4.804 1.00 0.00 O ATOM 467 NE2 GLN A 31 13.732 0.691 6.926 1.00 0.00 N ATOM 0 H GLN A 31 12.882 -4.692 5.125 1.00 0.00 H new ATOM 0 HA GLN A 31 13.844 -2.925 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.129 -3.012 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.735 -1.951 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.120 -1.341 6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.186 -0.955 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.237 0.221 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.229 1.558 7.114 1.00 0.00 H new ATOM 476 N THR A 32 10.603 -2.755 6.430 1.00 0.00 N ATOM 477 CA THR A 32 9.325 -2.135 6.803 1.00 0.00 C ATOM 478 C THR A 32 8.138 -3.086 6.973 1.00 0.00 C ATOM 479 O THR A 32 7.096 -2.678 7.493 1.00 0.00 O ATOM 480 CB THR A 32 8.954 -1.044 5.793 1.00 0.00 C ATOM 481 OG1 THR A 32 9.038 -1.444 4.433 1.00 0.00 O ATOM 482 CG2 THR A 32 9.833 0.191 5.999 1.00 0.00 C ATOM 0 H THR A 32 10.509 -3.474 5.713 1.00 0.00 H new ATOM 0 HA THR A 32 9.508 -1.724 7.796 1.00 0.00 H new ATOM 0 HB THR A 32 7.905 -0.821 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.938 -1.783 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.558 0.958 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.688 0.576 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.880 -0.080 5.861 1.00 0.00 H new ATOM 490 N GLY A 33 8.258 -4.346 6.568 1.00 0.00 N ATOM 491 CA GLY A 33 7.246 -5.348 6.849 1.00 0.00 C ATOM 492 C GLY A 33 6.242 -5.530 5.711 1.00 0.00 C ATOM 493 O GLY A 33 5.231 -6.218 5.879 1.00 0.00 O ATOM 0 H GLY A 33 9.057 -4.696 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.735 -6.302 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.710 -5.068 7.756 1.00 0.00 H new ATOM 497 N LEU A 34 6.464 -4.884 4.567 1.00 0.00 N ATOM 498 CA LEU A 34 5.636 -5.064 3.376 1.00 0.00 C ATOM 499 C LEU A 34 6.093 -6.318 2.631 1.00 0.00 C ATOM 500 O LEU A 34 7.235 -6.763 2.799 1.00 0.00 O ATOM 501 CB LEU A 34 5.774 -3.854 2.445 1.00 0.00 C ATOM 502 CG LEU A 34 5.502 -2.499 3.128 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.132 -1.409 2.268 1.00 0.00 C ATOM 504 CD2 LEU A 34 4.002 -2.261 3.340 1.00 0.00 C ATOM 0 H LEU A 34 7.226 -4.218 4.440 1.00 0.00 H new ATOM 0 HA LEU A 34 4.594 -5.164 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.781 -3.843 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.085 -3.972 1.609 1.00 0.00 H new ATOM 0 HG LEU A 34 5.947 -2.489 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.956 -0.436 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.205 -1.583 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.686 -1.427 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.852 -1.296 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.493 -2.267 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.594 -3.051 3.971 1.00 0.00 H new ATOM 516 N TYR A 35 5.252 -6.825 1.733 1.00 0.00 N ATOM 517 CA TYR A 35 5.617 -7.895 0.816 1.00 0.00 C ATOM 518 C TYR A 35 5.736 -7.346 -0.605 1.00 0.00 C ATOM 519 O TYR A 35 5.157 -6.305 -0.928 1.00 0.00 O ATOM 520 CB TYR A 35 4.602 -9.039 0.916 1.00 0.00 C ATOM 521 CG TYR A 35 4.703 -9.826 2.205 1.00 0.00 C ATOM 522 CD1 TYR A 35 4.162 -9.310 3.398 1.00 0.00 C ATOM 523 CD2 TYR A 35 5.372 -11.062 2.217 1.00 0.00 C ATOM 524 CE1 TYR A 35 4.314 -10.014 4.604 1.00 0.00 C ATOM 525 CE2 TYR A 35 5.496 -11.787 3.412 1.00 0.00 C ATOM 526 CZ TYR A 35 4.991 -11.257 4.618 1.00 0.00 C ATOM 527 OH TYR A 35 5.199 -11.911 5.794 1.00 0.00 O ATOM 0 H TYR A 35 4.291 -6.500 1.623 1.00 0.00 H new ATOM 0 HA TYR A 35 6.591 -8.301 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.596 -8.630 0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.746 -9.716 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.629 -8.371 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.792 -11.455 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.914 -9.607 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.979 -12.753 3.409 1.00 0.00 H new ATOM 0 HH TYR A 35 5.677 -12.749 5.622 1.00 0.00 H new ATOM 537 N TYR A 36 6.491 -8.065 -1.428 1.00 0.00 N ATOM 538 CA TYR A 36 6.820 -7.812 -2.818 1.00 0.00 C ATOM 539 C TYR A 36 6.492 -9.073 -3.614 1.00 0.00 C ATOM 540 O TYR A 36 6.614 -10.193 -3.102 1.00 0.00 O ATOM 541 CB TYR A 36 8.316 -7.479 -2.900 1.00 0.00 C ATOM 542 CG TYR A 36 8.876 -7.232 -4.289 1.00 0.00 C ATOM 543 CD1 TYR A 36 9.354 -8.288 -5.089 1.00 0.00 C ATOM 544 CD2 TYR A 36 8.950 -5.915 -4.765 1.00 0.00 C ATOM 545 CE1 TYR A 36 9.903 -8.017 -6.357 1.00 0.00 C ATOM 546 CE2 TYR A 36 9.486 -5.632 -6.028 1.00 0.00 C ATOM 547 CZ TYR A 36 9.998 -6.685 -6.817 1.00 0.00 C ATOM 548 OH TYR A 36 10.612 -6.400 -7.998 1.00 0.00 O ATOM 0 H TYR A 36 6.930 -8.926 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 36 6.252 -6.977 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.503 -6.593 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.874 -8.299 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.299 -9.305 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.588 -5.106 -4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.252 -8.828 -6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 36 9.507 -4.617 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 36 10.935 -7.230 -8.407 1.00 0.00 H new ATOM 558 N ASP A 37 6.155 -8.915 -4.892 1.00 0.00 N ATOM 559 CA ASP A 37 5.955 -10.036 -5.804 1.00 0.00 C ATOM 560 C ASP A 37 6.762 -9.773 -7.073 1.00 0.00 C ATOM 561 O ASP A 37 6.806 -8.637 -7.545 1.00 0.00 O ATOM 562 CB ASP A 37 4.472 -10.148 -6.154 1.00 0.00 C ATOM 563 CG ASP A 37 4.160 -11.317 -7.089 1.00 0.00 C ATOM 564 OD1 ASP A 37 4.099 -12.478 -6.630 1.00 0.00 O ATOM 565 OD2 ASP A 37 3.949 -11.086 -8.306 1.00 0.00 O ATOM 0 H ASP A 37 6.013 -8.002 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 37 6.282 -10.965 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.896 -10.262 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.145 -9.220 -6.622 1.00 0.00 H new ATOM 570 N PRO A 38 7.343 -10.804 -7.698 1.00 0.00 N ATOM 571 CA PRO A 38 8.208 -10.631 -8.855 1.00 0.00 C ATOM 572 C PRO A 38 7.494 -10.073 -10.090 1.00 0.00 C ATOM 573 O PRO A 38 8.150 -9.451 -10.928 1.00 0.00 O ATOM 574 CB PRO A 38 8.812 -12.017 -9.116 1.00 0.00 C ATOM 575 CG PRO A 38 7.806 -12.965 -8.462 1.00 0.00 C ATOM 576 CD PRO A 38 7.414 -12.172 -7.234 1.00 0.00 C ATOM 0 HA PRO A 38 8.970 -9.879 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.918 -12.216 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.803 -12.114 -8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.953 -13.171 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.252 -13.926 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.457 -12.506 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.149 -12.284 -6.437 1.00 0.00 H new ATOM 584 N ASN A 39 6.177 -10.253 -10.211 1.00 0.00 N ATOM 585 CA ASN A 39 5.381 -9.704 -11.305 1.00 0.00 C ATOM 586 C ASN A 39 4.561 -8.489 -10.864 1.00 0.00 C ATOM 587 O ASN A 39 4.107 -7.688 -11.690 1.00 0.00 O ATOM 588 CB ASN A 39 4.450 -10.806 -11.806 1.00 0.00 C ATOM 589 CG ASN A 39 5.114 -11.631 -12.896 1.00 0.00 C ATOM 590 OD1 ASN A 39 5.415 -11.135 -13.976 1.00 0.00 O ATOM 591 ND2 ASN A 39 5.432 -12.884 -12.644 1.00 0.00 N ATOM 0 H ASN A 39 5.628 -10.792 -9.541 1.00 0.00 H new ATOM 0 HA ASN A 39 6.050 -9.365 -12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.169 -11.454 -10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.531 -10.363 -12.190 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.926 -13.436 -13.345 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.184 -13.303 -11.747 1.00 0.00 H new ATOM 598 N SER A 40 4.364 -8.343 -9.558 1.00 0.00 N ATOM 599 CA SER A 40 3.658 -7.236 -8.934 1.00 0.00 C ATOM 600 C SER A 40 4.598 -6.525 -7.965 1.00 0.00 C ATOM 601 O SER A 40 4.507 -6.693 -6.747 1.00 0.00 O ATOM 602 CB SER A 40 2.344 -7.724 -8.305 1.00 0.00 C ATOM 603 OG SER A 40 1.676 -6.702 -7.597 1.00 0.00 O ATOM 0 H SER A 40 4.707 -9.023 -8.879 1.00 0.00 H new ATOM 0 HA SER A 40 3.360 -6.496 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.690 -8.108 -9.088 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.553 -8.554 -7.630 1.00 0.00 H new ATOM 0 HG SER A 40 2.177 -6.487 -6.782 1.00 0.00 H new ATOM 609 N GLN A 41 5.392 -5.605 -8.522 1.00 0.00 N ATOM 610 CA GLN A 41 6.094 -4.558 -7.779 1.00 0.00 C ATOM 611 C GLN A 41 5.115 -3.664 -6.994 1.00 0.00 C ATOM 612 O GLN A 41 5.540 -2.822 -6.199 1.00 0.00 O ATOM 613 CB GLN A 41 6.957 -3.696 -8.707 1.00 0.00 C ATOM 614 CG GLN A 41 8.132 -4.444 -9.339 1.00 0.00 C ATOM 615 CD GLN A 41 7.767 -5.578 -10.295 1.00 0.00 C ATOM 616 OE1 GLN A 41 6.814 -5.478 -11.071 1.00 0.00 O ATOM 617 NE2 GLN A 41 8.485 -6.685 -10.219 1.00 0.00 N ATOM 0 H GLN A 41 5.567 -5.568 -9.526 1.00 0.00 H new ATOM 0 HA GLN A 41 6.746 -5.062 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.328 -3.293 -9.500 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.342 -2.847 -8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.747 -3.724 -9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.749 -4.854 -8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.268 -6.741 -9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.256 -7.483 -10.811 1.00 0.00 H new ATOM 626 N TYR A 42 3.805 -3.819 -7.200 1.00 0.00 N ATOM 627 CA TYR A 42 2.772 -3.293 -6.329 1.00 0.00 C ATOM 628 C TYR A 42 2.815 -4.099 -5.033 1.00 0.00 C ATOM 629 O TYR A 42 2.344 -5.240 -4.983 1.00 0.00 O ATOM 630 CB TYR A 42 1.401 -3.342 -7.014 1.00 0.00 C ATOM 631 CG TYR A 42 1.444 -2.822 -8.432 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.590 -1.445 -8.654 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.446 -3.713 -9.521 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.685 -0.937 -9.958 1.00 0.00 C ATOM 635 CE2 TYR A 42 1.595 -3.219 -10.826 1.00 0.00 C ATOM 636 CZ TYR A 42 1.702 -1.829 -11.058 1.00 0.00 C ATOM 637 OH TYR A 42 1.876 -1.393 -12.337 1.00 0.00 O ATOM 0 H TYR A 42 3.432 -4.329 -8.001 1.00 0.00 H new ATOM 0 HA TYR A 42 2.947 -2.241 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.037 -4.369 -7.018 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.688 -2.754 -6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.630 -0.769 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.333 -4.774 -9.353 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.745 0.129 -10.122 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.628 -3.906 -11.659 1.00 0.00 H new ATOM 0 HH TYR A 42 1.858 -2.158 -12.949 1.00 0.00 H new ATOM 647 N TYR A 43 3.456 -3.521 -4.021 1.00 0.00 N ATOM 648 CA TYR A 43 3.726 -4.125 -2.729 1.00 0.00 C ATOM 649 C TYR A 43 2.420 -4.502 -2.049 1.00 0.00 C ATOM 650 O TYR A 43 1.444 -3.747 -2.139 1.00 0.00 O ATOM 651 CB TYR A 43 4.475 -3.100 -1.863 1.00 0.00 C ATOM 652 CG TYR A 43 5.937 -2.903 -2.203 1.00 0.00 C ATOM 653 CD1 TYR A 43 6.324 -2.078 -3.276 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.914 -3.600 -1.470 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.674 -1.996 -3.657 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.268 -3.503 -1.825 1.00 0.00 C ATOM 657 CZ TYR A 43 8.651 -2.716 -2.934 1.00 0.00 C ATOM 658 OH TYR A 43 9.949 -2.707 -3.335 1.00 0.00 O ATOM 0 H TYR A 43 3.818 -2.570 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 43 4.327 -5.025 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.968 -2.139 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.401 -3.408 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.580 -1.505 -3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.621 -4.213 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.964 -1.385 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.016 -4.029 -1.251 1.00 0.00 H new ATOM 0 HH TYR A 43 10.506 -3.130 -2.649 1.00 0.00 H new ATOM 668 N TYR A 44 2.429 -5.592 -1.286 1.00 0.00 N ATOM 669 CA TYR A 44 1.303 -6.004 -0.469 1.00 0.00 C ATOM 670 C TYR A 44 1.501 -5.519 0.964 1.00 0.00 C ATOM 671 O TYR A 44 2.462 -5.872 1.656 1.00 0.00 O ATOM 672 CB TYR A 44 1.075 -7.509 -0.537 1.00 0.00 C ATOM 673 CG TYR A 44 -0.057 -7.952 0.364 1.00 0.00 C ATOM 674 CD1 TYR A 44 -1.376 -7.578 0.052 1.00 0.00 C ATOM 675 CD2 TYR A 44 0.213 -8.677 1.539 1.00 0.00 C ATOM 676 CE1 TYR A 44 -2.436 -7.941 0.898 1.00 0.00 C ATOM 677 CE2 TYR A 44 -0.846 -9.068 2.378 1.00 0.00 C ATOM 678 CZ TYR A 44 -2.174 -8.700 2.058 1.00 0.00 C ATOM 679 OH TYR A 44 -3.209 -9.065 2.857 1.00 0.00 O ATOM 0 H TYR A 44 3.231 -6.218 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 44 0.399 -5.542 -0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.854 -7.796 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.990 -8.028 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.575 -7.008 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.230 -8.933 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.446 -7.641 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.645 -9.649 3.266 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.869 -9.584 3.616 1.00 0.00 H new ATOM 689 N ASN A 45 0.560 -4.685 1.386 1.00 0.00 N ATOM 690 CA ASN A 45 0.477 -4.048 2.678 1.00 0.00 C ATOM 691 C ASN A 45 -0.276 -4.989 3.606 1.00 0.00 C ATOM 692 O ASN A 45 -1.477 -4.796 3.838 1.00 0.00 O ATOM 693 CB ASN A 45 -0.241 -2.691 2.552 1.00 0.00 C ATOM 694 CG ASN A 45 -0.151 -1.955 3.881 1.00 0.00 C ATOM 695 OD1 ASN A 45 0.860 -1.360 4.224 1.00 0.00 O ATOM 696 ND2 ASN A 45 -1.209 -2.006 4.663 1.00 0.00 N ATOM 0 H ASN A 45 -0.220 -4.422 0.783 1.00 0.00 H new ATOM 0 HA ASN A 45 1.470 -3.851 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.215 -2.096 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.285 -2.842 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.194 -1.544 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.044 -2.507 4.360 1.00 0.00 H new ATOM 703 N ALA A 46 0.413 -6.008 4.128 1.00 0.00 N ATOM 704 CA ALA A 46 -0.154 -6.972 5.077 1.00 0.00 C ATOM 705 C ALA A 46 -0.782 -6.258 6.276 1.00 0.00 C ATOM 706 O ALA A 46 -1.816 -6.684 6.785 1.00 0.00 O ATOM 707 CB ALA A 46 0.943 -7.929 5.558 1.00 0.00 C ATOM 0 H ALA A 46 1.391 -6.189 3.901 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.935 -7.536 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.519 -8.644 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.359 -8.464 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.732 -7.360 6.049 1.00 0.00 H new ATOM 713 N GLN A 47 -0.202 -5.117 6.657 1.00 0.00 N ATOM 714 CA GLN A 47 -0.554 -4.285 7.790 1.00 0.00 C ATOM 715 C GLN A 47 -2.037 -3.923 7.870 1.00 0.00 C ATOM 716 O GLN A 47 -2.548 -3.671 8.963 1.00 0.00 O ATOM 717 CB GLN A 47 0.293 -3.007 7.699 1.00 0.00 C ATOM 718 CG GLN A 47 0.758 -2.584 9.082 1.00 0.00 C ATOM 719 CD GLN A 47 1.626 -1.336 8.983 1.00 0.00 C ATOM 720 OE1 GLN A 47 2.848 -1.418 9.029 1.00 0.00 O ATOM 721 NE2 GLN A 47 1.028 -0.174 8.791 1.00 0.00 N ATOM 0 H GLN A 47 0.585 -4.729 6.136 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.352 -4.854 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.155 -3.179 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.291 -2.207 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.104 -2.387 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.321 -3.392 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.010 -0.124 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.584 0.673 8.678 1.00 0.00 H new ATOM 730 N SER A 48 -2.722 -3.866 6.731 1.00 0.00 N ATOM 731 CA SER A 48 -4.159 -3.644 6.675 1.00 0.00 C ATOM 732 C SER A 48 -4.833 -4.413 5.530 1.00 0.00 C ATOM 733 O SER A 48 -6.032 -4.263 5.331 1.00 0.00 O ATOM 734 CB SER A 48 -4.434 -2.132 6.627 1.00 0.00 C ATOM 735 OG SER A 48 -4.779 -1.690 7.927 1.00 0.00 O ATOM 0 H SER A 48 -2.289 -3.974 5.814 1.00 0.00 H new ATOM 0 HA SER A 48 -4.612 -4.048 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.553 -1.599 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.243 -1.917 5.928 1.00 0.00 H new ATOM 0 HG SER A 48 -4.210 -2.139 8.587 1.00 0.00 H new ATOM 741 N GLN A 49 -4.091 -5.246 4.798 1.00 0.00 N ATOM 742 CA GLN A 49 -4.550 -6.015 3.644 1.00 0.00 C ATOM 743 C GLN A 49 -4.868 -5.070 2.476 1.00 0.00 C ATOM 744 O GLN A 49 -6.008 -4.946 2.026 1.00 0.00 O ATOM 745 CB GLN A 49 -5.679 -7.011 4.008 1.00 0.00 C ATOM 746 CG GLN A 49 -5.388 -7.845 5.274 1.00 0.00 C ATOM 747 CD GLN A 49 -6.501 -8.841 5.606 1.00 0.00 C ATOM 748 OE1 GLN A 49 -6.361 -10.053 5.449 1.00 0.00 O ATOM 749 NE2 GLN A 49 -7.642 -8.377 6.098 1.00 0.00 N ATOM 0 H GLN A 49 -3.106 -5.409 5.006 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.743 -6.662 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.606 -6.457 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.840 -7.687 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.452 -8.387 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.246 -7.173 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.769 -7.374 6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.392 -9.023 6.342 1.00 0.00 H new ATOM 758 N GLN A 50 -3.843 -4.333 2.028 1.00 0.00 N ATOM 759 CA GLN A 50 -3.867 -3.445 0.862 1.00 0.00 C ATOM 760 C GLN A 50 -2.794 -3.726 -0.178 1.00 0.00 C ATOM 761 O GLN A 50 -1.853 -4.450 0.117 1.00 0.00 O ATOM 762 CB GLN A 50 -3.949 -1.959 1.237 1.00 0.00 C ATOM 763 CG GLN A 50 -3.466 -1.463 2.587 1.00 0.00 C ATOM 764 CD GLN A 50 -4.630 -1.009 3.455 1.00 0.00 C ATOM 765 OE1 GLN A 50 -4.585 0.062 4.054 1.00 0.00 O ATOM 766 NE2 GLN A 50 -5.628 -1.868 3.588 1.00 0.00 N ATOM 0 H GLN A 50 -2.934 -4.341 2.491 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.804 -3.694 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.394 -1.408 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.994 -1.664 1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.919 -2.257 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.770 -0.636 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.619 -2.745 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.407 -1.653 4.211 1.00 0.00 H new ATOM 775 N TYR A 51 -2.904 -3.122 -1.365 1.00 0.00 N ATOM 776 CA TYR A 51 -1.809 -2.983 -2.313 1.00 0.00 C ATOM 777 C TYR A 51 -1.366 -1.526 -2.306 1.00 0.00 C ATOM 778 O TYR A 51 -2.169 -0.618 -2.081 1.00 0.00 O ATOM 779 CB TYR A 51 -2.233 -3.384 -3.736 1.00 0.00 C ATOM 780 CG TYR A 51 -2.174 -4.870 -4.058 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.738 -5.830 -3.197 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.553 -5.297 -5.247 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.676 -7.200 -3.509 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.495 -6.660 -5.575 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.066 -7.620 -4.714 1.00 0.00 C ATOM 786 OH TYR A 51 -1.943 -8.941 -5.017 1.00 0.00 O ATOM 0 H TYR A 51 -3.777 -2.710 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.996 -3.645 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.253 -3.037 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.598 -2.854 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.224 -5.511 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.117 -4.568 -5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.093 -7.929 -2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.012 -6.975 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.499 -9.037 -5.886 1.00 0.00 H new ATOM 796 N LEU A 52 -0.085 -1.311 -2.575 1.00 0.00 N ATOM 797 CA LEU A 52 0.606 -0.031 -2.607 1.00 0.00 C ATOM 798 C LEU A 52 1.675 -0.125 -3.703 1.00 0.00 C ATOM 799 O LEU A 52 1.798 -1.154 -4.366 1.00 0.00 O ATOM 800 CB LEU A 52 1.284 0.228 -1.252 1.00 0.00 C ATOM 801 CG LEU A 52 0.404 0.291 0.013 1.00 0.00 C ATOM 802 CD1 LEU A 52 1.287 0.509 1.240 1.00 0.00 C ATOM 803 CD2 LEU A 52 -0.631 1.414 0.040 1.00 0.00 C ATOM 0 H LEU A 52 0.543 -2.084 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.092 0.782 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.028 -0.554 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.824 1.172 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.131 -0.659 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.664 0.553 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.994 -0.316 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.834 1.445 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.195 1.367 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.125 2.377 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.313 1.301 -0.803 1.00 0.00 H new ATOM 815 N TYR A 53 2.488 0.909 -3.881 1.00 0.00 N ATOM 816 CA TYR A 53 3.753 0.867 -4.601 1.00 0.00 C ATOM 817 C TYR A 53 4.840 1.456 -3.697 1.00 0.00 C ATOM 818 O TYR A 53 4.577 1.817 -2.544 1.00 0.00 O ATOM 819 CB TYR A 53 3.649 1.512 -6.002 1.00 0.00 C ATOM 820 CG TYR A 53 3.274 2.988 -6.118 1.00 0.00 C ATOM 821 CD1 TYR A 53 2.000 3.437 -5.728 1.00 0.00 C ATOM 822 CD2 TYR A 53 4.144 3.900 -6.750 1.00 0.00 C ATOM 823 CE1 TYR A 53 1.604 4.767 -5.934 1.00 0.00 C ATOM 824 CE2 TYR A 53 3.749 5.233 -6.975 1.00 0.00 C ATOM 825 CZ TYR A 53 2.479 5.683 -6.556 1.00 0.00 C ATOM 826 OH TYR A 53 2.099 6.980 -6.733 1.00 0.00 O ATOM 0 H TYR A 53 2.275 1.836 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 53 4.034 -0.163 -4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.611 1.378 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.916 0.942 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.314 2.746 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.124 3.573 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.625 5.092 -5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.423 5.915 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 53 2.820 7.475 -7.176 1.00 0.00 H new ATOM 836 N TRP A 54 6.076 1.497 -4.190 1.00 0.00 N ATOM 837 CA TRP A 54 7.129 2.356 -3.676 1.00 0.00 C ATOM 838 C TRP A 54 7.263 3.474 -4.701 1.00 0.00 C ATOM 839 O TRP A 54 7.258 3.210 -5.911 1.00 0.00 O ATOM 840 CB TRP A 54 8.443 1.581 -3.509 1.00 0.00 C ATOM 841 CG TRP A 54 9.665 2.443 -3.398 1.00 0.00 C ATOM 842 CD1 TRP A 54 10.559 2.664 -4.388 1.00 0.00 C ATOM 843 CD2 TRP A 54 10.098 3.282 -2.283 1.00 0.00 C ATOM 844 NE1 TRP A 54 11.534 3.533 -3.948 1.00 0.00 N ATOM 845 CE2 TRP A 54 11.281 3.982 -2.668 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.592 3.540 -0.994 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.927 4.889 -1.812 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.227 4.441 -0.124 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.392 5.115 -0.532 1.00 0.00 C ATOM 0 H TRP A 54 6.375 0.919 -4.975 1.00 0.00 H new ATOM 0 HA TRP A 54 6.892 2.746 -2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.372 0.958 -2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.564 0.909 -4.359 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.516 2.226 -5.374 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.345 3.811 -4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.696 3.034 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.820 5.404 -2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.820 4.617 0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.877 5.808 0.140 1.00 0.00 H new ATOM 860 N ASP A 55 7.368 4.706 -4.217 1.00 0.00 N ATOM 861 CA ASP A 55 7.547 5.895 -5.021 1.00 0.00 C ATOM 862 C ASP A 55 8.798 6.601 -4.541 1.00 0.00 C ATOM 863 O ASP A 55 8.861 7.070 -3.404 1.00 0.00 O ATOM 864 CB ASP A 55 6.357 6.839 -4.900 1.00 0.00 C ATOM 865 CG ASP A 55 6.665 8.112 -5.678 1.00 0.00 C ATOM 866 OD1 ASP A 55 6.813 8.029 -6.923 1.00 0.00 O ATOM 867 OD2 ASP A 55 6.749 9.180 -5.034 1.00 0.00 O ATOM 0 H ASP A 55 7.329 4.905 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 55 7.634 5.605 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.457 6.365 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.165 7.073 -3.853 1.00 0.00 H new ATOM 872 N GLY A 56 9.794 6.685 -5.412 1.00 0.00 N ATOM 873 CA GLY A 56 11.030 7.376 -5.126 1.00 0.00 C ATOM 874 C GLY A 56 10.885 8.890 -5.228 1.00 0.00 C ATOM 875 O GLY A 56 11.757 9.578 -4.704 1.00 0.00 O ATOM 0 H GLY A 56 9.760 6.270 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.367 7.113 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.800 7.040 -5.820 1.00 0.00 H new ATOM 879 N GLU A 57 9.831 9.451 -5.847 1.00 0.00 N ATOM 880 CA GLU A 57 9.740 10.905 -5.989 1.00 0.00 C ATOM 881 C GLU A 57 9.592 11.513 -4.596 1.00 0.00 C ATOM 882 O GLU A 57 10.293 12.459 -4.230 1.00 0.00 O ATOM 883 CB GLU A 57 8.569 11.360 -6.877 1.00 0.00 C ATOM 884 CG GLU A 57 8.647 10.954 -8.356 1.00 0.00 C ATOM 885 CD GLU A 57 7.513 11.637 -9.134 1.00 0.00 C ATOM 886 OE1 GLU A 57 7.493 12.889 -9.200 1.00 0.00 O ATOM 887 OE2 GLU A 57 6.555 10.970 -9.594 1.00 0.00 O ATOM 0 H GLU A 57 9.050 8.930 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 57 10.650 11.247 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.645 10.959 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.499 12.446 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.613 11.241 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.568 9.871 -8.452 1.00 0.00 H new ATOM 894 N ARG A 58 8.676 10.940 -3.816 1.00 0.00 N ATOM 895 CA ARG A 58 8.336 11.348 -2.460 1.00 0.00 C ATOM 896 C ARG A 58 8.971 10.419 -1.425 1.00 0.00 C ATOM 897 O ARG A 58 8.710 10.575 -0.235 1.00 0.00 O ATOM 898 CB ARG A 58 6.803 11.400 -2.351 1.00 0.00 C ATOM 899 CG ARG A 58 6.225 12.461 -3.298 1.00 0.00 C ATOM 900 CD ARG A 58 4.695 12.512 -3.223 1.00 0.00 C ATOM 901 NE ARG A 58 4.217 13.889 -3.025 1.00 0.00 N ATOM 902 CZ ARG A 58 4.271 14.868 -3.936 1.00 0.00 C ATOM 903 NH1 ARG A 58 4.541 14.587 -5.209 1.00 0.00 N ATOM 904 NH2 ARG A 58 4.091 16.126 -3.560 1.00 0.00 N ATOM 0 H ARG A 58 8.126 10.141 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 58 8.740 12.338 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.383 10.423 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.514 11.626 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.635 13.438 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.533 12.243 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.270 12.105 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.347 11.882 -2.404 1.00 0.00 H new ATOM 0 HE ARG A 58 3.810 14.117 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.708 13.622 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.581 15.337 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.912 16.345 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.131 16.875 -4.251 1.00 0.00 H new ATOM 918 N ARG A 59 9.803 9.462 -1.862 1.00 0.00 N ATOM 919 CA ARG A 59 10.481 8.452 -1.043 1.00 0.00 C ATOM 920 C ARG A 59 9.499 7.855 -0.042 1.00 0.00 C ATOM 921 O ARG A 59 9.670 8.006 1.168 1.00 0.00 O ATOM 922 CB ARG A 59 11.740 9.040 -0.382 1.00 0.00 C ATOM 923 CG ARG A 59 12.788 9.507 -1.399 1.00 0.00 C ATOM 924 CD ARG A 59 13.990 10.126 -0.673 1.00 0.00 C ATOM 925 NE ARG A 59 14.272 11.483 -1.163 1.00 0.00 N ATOM 926 CZ ARG A 59 15.443 12.119 -1.204 1.00 0.00 C ATOM 927 NH1 ARG A 59 16.581 11.473 -0.971 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.466 13.417 -1.477 1.00 0.00 N ATOM 0 H ARG A 59 10.032 9.369 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 59 10.828 7.636 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.453 9.882 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.185 8.289 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.116 8.664 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.347 10.238 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.793 10.158 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.868 9.496 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 59 13.470 12.004 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.567 10.476 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.469 11.974 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.594 13.917 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.355 13.915 -1.511 1.00 0.00 H new ATOM 942 N THR A 60 8.432 7.240 -0.539 1.00 0.00 N ATOM 943 CA THR A 60 7.309 6.846 0.289 1.00 0.00 C ATOM 944 C THR A 60 6.640 5.596 -0.288 1.00 0.00 C ATOM 945 O THR A 60 6.949 5.146 -1.395 1.00 0.00 O ATOM 946 CB THR A 60 6.369 8.060 0.412 1.00 0.00 C ATOM 947 OG1 THR A 60 5.465 7.908 1.487 1.00 0.00 O ATOM 948 CG2 THR A 60 5.577 8.341 -0.865 1.00 0.00 C ATOM 0 H THR A 60 8.325 7.003 -1.525 1.00 0.00 H new ATOM 0 HA THR A 60 7.625 6.564 1.294 1.00 0.00 H new ATOM 0 HB THR A 60 7.024 8.911 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.884 8.695 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.935 9.208 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.267 8.541 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.964 7.474 -1.111 1.00 0.00 H new ATOM 956 N TYR A 61 5.683 5.047 0.457 1.00 0.00 N ATOM 957 CA TYR A 61 4.824 3.953 0.034 1.00 0.00 C ATOM 958 C TYR A 61 3.400 4.478 -0.069 1.00 0.00 C ATOM 959 O TYR A 61 2.843 4.920 0.940 1.00 0.00 O ATOM 960 CB TYR A 61 4.889 2.821 1.049 1.00 0.00 C ATOM 961 CG TYR A 61 6.258 2.235 1.281 1.00 0.00 C ATOM 962 CD1 TYR A 61 6.852 1.387 0.327 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.908 2.498 2.498 1.00 0.00 C ATOM 964 CE1 TYR A 61 8.040 0.703 0.642 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.093 1.825 2.812 1.00 0.00 C ATOM 966 CZ TYR A 61 8.635 0.885 1.911 1.00 0.00 C ATOM 967 OH TYR A 61 9.695 0.124 2.288 1.00 0.00 O ATOM 0 H TYR A 61 5.481 5.366 1.404 1.00 0.00 H new ATOM 0 HA TYR A 61 5.152 3.569 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.504 3.187 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.222 2.023 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.397 1.262 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.494 3.218 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.495 0.043 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.595 2.026 3.747 1.00 0.00 H new ATOM 0 HH TYR A 61 9.430 -0.464 3.025 1.00 0.00 H new ATOM 977 N VAL A 62 2.846 4.466 -1.275 1.00 0.00 N ATOM 978 CA VAL A 62 1.594 5.115 -1.673 1.00 0.00 C ATOM 979 C VAL A 62 0.645 4.097 -2.316 1.00 0.00 C ATOM 980 O VAL A 62 1.108 3.047 -2.762 1.00 0.00 O ATOM 981 CB VAL A 62 1.897 6.316 -2.606 1.00 0.00 C ATOM 982 CG1 VAL A 62 1.948 7.614 -1.797 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.225 6.189 -3.379 1.00 0.00 C ATOM 0 H VAL A 62 3.283 3.973 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 62 1.087 5.506 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 62 1.087 6.326 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.161 8.450 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.987 7.776 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.732 7.542 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.365 7.067 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.052 6.114 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.199 5.296 -4.003 1.00 0.00 H new ATOM 993 N PRO A 63 -0.673 4.350 -2.367 1.00 0.00 N ATOM 994 CA PRO A 63 -1.644 3.394 -2.885 1.00 0.00 C ATOM 995 C PRO A 63 -1.568 3.271 -4.409 1.00 0.00 C ATOM 996 O PRO A 63 -1.720 4.247 -5.138 1.00 0.00 O ATOM 997 CB PRO A 63 -3.008 3.888 -2.402 1.00 0.00 C ATOM 998 CG PRO A 63 -2.804 5.392 -2.241 1.00 0.00 C ATOM 999 CD PRO A 63 -1.348 5.510 -1.806 1.00 0.00 C ATOM 0 HA PRO A 63 -1.446 2.386 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.794 3.664 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.295 3.419 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.988 5.924 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.480 5.811 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.904 6.436 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.264 5.524 -0.719 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.368 2.049 -4.907 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.274 1.760 -6.339 1.00 0.00 C ATOM 1009 C ALA A 64 -2.632 1.436 -6.967 1.00 0.00 C ATOM 1010 O ALA A 64 -2.697 0.714 -7.963 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.287 0.613 -6.552 1.00 0.00 C ATOM 0 H ALA A 64 -1.265 1.222 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.915 2.658 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.211 0.391 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.693 0.900 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.638 -0.272 -6.021 1.00 0.00 H new