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 -154:sc= 0.679 USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0.627 USER MOD Set 2.1: A 18 TYR OH : rot -83:sc= 2.3 USER MOD Set 2.2: A 43 TYR OH : rot -169:sc= 1.27 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0.461 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.204 X(o=0.67,f=0.81) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.178 USER MOD Single : A 17 THR OG1 : rot -36:sc= 0.0778 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0043) 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= -0.0523 X(o=-0.052,f=-0.031) 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 89:sc= 1.23 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 45 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-0.63) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.0115 X(o=0.011,f=-0.3) 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 46:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 9.555 9.264 0.429 1.00 0.00 N ATOM 135 CA TYR A 10 10.359 8.091 0.077 1.00 0.00 C ATOM 136 C TYR A 10 10.962 8.189 -1.344 1.00 0.00 C ATOM 137 O TYR A 10 10.464 8.960 -2.183 1.00 0.00 O ATOM 138 CB TYR A 10 9.476 6.849 0.231 1.00 0.00 C ATOM 139 CG TYR A 10 9.206 6.477 1.681 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.274 7.203 2.446 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.920 5.425 2.285 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.037 6.867 3.789 1.00 0.00 C ATOM 143 CE2 TYR A 10 9.674 5.065 3.622 1.00 0.00 C ATOM 144 CZ TYR A 10 8.725 5.785 4.378 1.00 0.00 C ATOM 145 OH TYR A 10 8.465 5.437 5.666 1.00 0.00 O ATOM 0 HA TYR A 10 11.215 8.029 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.526 7.022 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.955 6.007 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.737 8.025 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.665 4.889 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.328 7.437 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.210 4.240 4.068 1.00 0.00 H new ATOM 0 HH TYR A 10 9.023 4.671 5.917 1.00 0.00 H new ATOM 155 N PRO A 11 12.010 7.388 -1.632 1.00 0.00 N ATOM 156 CA PRO A 11 12.494 7.103 -2.985 1.00 0.00 C ATOM 157 C PRO A 11 11.478 6.242 -3.756 1.00 0.00 C ATOM 158 O PRO A 11 10.412 5.917 -3.242 1.00 0.00 O ATOM 159 CB PRO A 11 13.833 6.373 -2.788 1.00 0.00 C ATOM 160 CG PRO A 11 13.660 5.663 -1.450 1.00 0.00 C ATOM 161 CD PRO A 11 12.800 6.640 -0.656 1.00 0.00 C ATOM 0 HA PRO A 11 12.623 8.008 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.027 5.666 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.671 7.070 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.171 4.696 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.618 5.479 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.152 6.108 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.422 7.312 -0.064 1.00 0.00 H new ATOM 169 N VAL A 12 11.821 5.843 -4.986 1.00 0.00 N ATOM 170 CA VAL A 12 10.991 5.044 -5.883 1.00 0.00 C ATOM 171 C VAL A 12 11.568 3.618 -5.978 1.00 0.00 C ATOM 172 O VAL A 12 12.435 3.365 -6.814 1.00 0.00 O ATOM 173 CB VAL A 12 10.849 5.759 -7.241 1.00 0.00 C ATOM 174 CG1 VAL A 12 9.913 4.997 -8.186 1.00 0.00 C ATOM 175 CG2 VAL A 12 10.275 7.170 -7.058 1.00 0.00 C ATOM 0 H VAL A 12 12.724 6.080 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 12 9.979 4.942 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 12 11.849 5.805 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.838 5.532 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.310 3.998 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.924 4.919 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.184 7.655 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.292 7.105 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.941 7.754 -6.422 1.00 0.00 H new ATOM 185 N PRO A 13 11.198 2.695 -5.068 1.00 0.00 N ATOM 186 CA PRO A 13 11.616 1.293 -5.130 1.00 0.00 C ATOM 187 C PRO A 13 10.996 0.571 -6.318 1.00 0.00 C ATOM 188 O PRO A 13 9.913 0.932 -6.787 1.00 0.00 O ATOM 189 CB PRO A 13 11.149 0.684 -3.804 1.00 0.00 C ATOM 190 CG PRO A 13 9.898 1.502 -3.488 1.00 0.00 C ATOM 191 CD PRO A 13 10.293 2.896 -3.948 1.00 0.00 C ATOM 0 HA PRO A 13 12.693 1.201 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.925 -0.378 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.905 0.780 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.024 1.130 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.655 1.479 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.418 3.472 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.779 3.451 -3.146 1.00 0.00 H new ATOM 199 N ASP A 14 11.660 -0.485 -6.778 1.00 0.00 N ATOM 200 CA ASP A 14 11.319 -1.255 -7.938 1.00 0.00 C ATOM 201 C ASP A 14 11.235 -2.731 -7.569 1.00 0.00 C ATOM 202 O ASP A 14 12.175 -3.274 -6.996 1.00 0.00 O ATOM 203 CB ASP A 14 12.366 -1.027 -9.033 1.00 0.00 C ATOM 204 CG ASP A 14 13.853 -1.195 -8.726 1.00 0.00 C ATOM 205 OD1 ASP A 14 14.406 -0.437 -7.897 1.00 0.00 O ATOM 206 OD2 ASP A 14 14.478 -2.083 -9.357 1.00 0.00 O ATOM 0 H ASP A 14 12.498 -0.835 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 14 10.347 -0.938 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.128 -1.704 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.226 -0.013 -9.406 1.00 0.00 H new ATOM 211 N VAL A 15 10.138 -3.412 -7.926 1.00 0.00 N ATOM 212 CA VAL A 15 10.041 -4.861 -7.735 1.00 0.00 C ATOM 213 C VAL A 15 11.138 -5.602 -8.508 1.00 0.00 C ATOM 214 O VAL A 15 11.544 -6.692 -8.109 1.00 0.00 O ATOM 215 CB VAL A 15 8.610 -5.358 -8.032 1.00 0.00 C ATOM 216 CG1 VAL A 15 8.188 -5.102 -9.480 1.00 0.00 C ATOM 217 CG2 VAL A 15 8.390 -6.849 -7.742 1.00 0.00 C ATOM 0 H VAL A 15 9.312 -2.985 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 15 10.225 -5.094 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 15 7.995 -4.774 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.174 -5.471 -9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.220 -4.032 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.869 -5.621 -10.155 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.360 -7.117 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.068 -7.443 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.585 -7.047 -6.688 1.00 0.00 H new ATOM 227 N SER A 16 11.679 -5.015 -9.574 1.00 0.00 N ATOM 228 CA SER A 16 12.800 -5.508 -10.328 1.00 0.00 C ATOM 229 C SER A 16 13.984 -5.881 -9.429 1.00 0.00 C ATOM 230 O SER A 16 14.458 -7.019 -9.471 1.00 0.00 O ATOM 231 CB SER A 16 13.129 -4.481 -11.399 1.00 0.00 C ATOM 232 OG SER A 16 12.105 -3.522 -11.646 1.00 0.00 O ATOM 0 H SER A 16 11.318 -4.136 -9.944 1.00 0.00 H new ATOM 0 HA SER A 16 12.546 -6.447 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.038 -3.954 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.348 -5.005 -12.329 1.00 0.00 H new ATOM 0 HG SER A 16 12.400 -2.901 -12.345 1.00 0.00 H new ATOM 238 N THR A 17 14.438 -4.962 -8.578 1.00 0.00 N ATOM 239 CA THR A 17 15.566 -5.207 -7.700 1.00 0.00 C ATOM 240 C THR A 17 15.191 -6.060 -6.474 1.00 0.00 C ATOM 241 O THR A 17 16.098 -6.418 -5.722 1.00 0.00 O ATOM 242 CB THR A 17 16.235 -3.862 -7.363 1.00 0.00 C ATOM 243 OG1 THR A 17 17.553 -4.039 -6.882 1.00 0.00 O ATOM 244 CG2 THR A 17 15.418 -3.004 -6.398 1.00 0.00 C ATOM 0 H THR A 17 14.031 -4.031 -8.483 1.00 0.00 H new ATOM 0 HA THR A 17 16.304 -5.822 -8.215 1.00 0.00 H new ATOM 0 HB THR A 17 16.282 -3.315 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.595 -4.851 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.947 -2.071 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.446 -2.785 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 17 15.277 -3.543 -5.461 1.00 0.00 H new ATOM 252 N TYR A 18 13.923 -6.433 -6.243 1.00 0.00 N ATOM 253 CA TYR A 18 13.555 -7.265 -5.093 1.00 0.00 C ATOM 254 C TYR A 18 14.185 -8.650 -5.196 1.00 0.00 C ATOM 255 O TYR A 18 14.449 -9.151 -6.297 1.00 0.00 O ATOM 256 CB TYR A 18 12.034 -7.443 -4.990 1.00 0.00 C ATOM 257 CG TYR A 18 11.244 -6.231 -4.560 1.00 0.00 C ATOM 258 CD1 TYR A 18 11.871 -4.997 -4.318 1.00 0.00 C ATOM 259 CD2 TYR A 18 9.850 -6.349 -4.421 1.00 0.00 C ATOM 260 CE1 TYR A 18 11.110 -3.868 -4.016 1.00 0.00 C ATOM 261 CE2 TYR A 18 9.068 -5.219 -4.137 1.00 0.00 C ATOM 262 CZ TYR A 18 9.707 -3.975 -3.949 1.00 0.00 C ATOM 263 OH TYR A 18 8.981 -2.886 -3.622 1.00 0.00 O ATOM 0 H TYR A 18 13.137 -6.171 -6.838 1.00 0.00 H new ATOM 0 HA TYR A 18 13.924 -6.749 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.661 -7.767 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.831 -8.250 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 18 12.947 -4.922 -4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.379 -7.314 -4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.593 -2.919 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.994 -5.300 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 18 8.965 -2.784 -2.647 1.00 0.00 H new ATOM 273 N GLN A 19 14.331 -9.289 -4.039 1.00 0.00 N ATOM 274 CA GLN A 19 14.693 -10.692 -3.917 1.00 0.00 C ATOM 275 C GLN A 19 13.409 -11.510 -3.832 1.00 0.00 C ATOM 276 O GLN A 19 12.608 -11.284 -2.929 1.00 0.00 O ATOM 277 CB GLN A 19 15.527 -10.912 -2.645 1.00 0.00 C ATOM 278 CG GLN A 19 16.897 -10.227 -2.687 1.00 0.00 C ATOM 279 CD GLN A 19 17.783 -10.692 -1.535 1.00 0.00 C ATOM 280 OE1 GLN A 19 18.133 -11.868 -1.441 1.00 0.00 O ATOM 281 NE2 GLN A 19 18.218 -9.803 -0.653 1.00 0.00 N ATOM 0 H GLN A 19 14.197 -8.830 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 19 15.284 -11.000 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.970 -10.540 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.669 -11.982 -2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.386 -10.445 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.768 -9.146 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.930 -8.827 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.841 -10.095 0.100 1.00 0.00 H new ATOM 290 N TYR A 20 13.193 -12.456 -4.744 1.00 0.00 N ATOM 291 CA TYR A 20 12.198 -13.501 -4.525 1.00 0.00 C ATOM 292 C TYR A 20 12.581 -14.369 -3.315 1.00 0.00 C ATOM 293 O TYR A 20 13.761 -14.473 -2.967 1.00 0.00 O ATOM 294 CB TYR A 20 12.123 -14.354 -5.796 1.00 0.00 C ATOM 295 CG TYR A 20 11.018 -15.392 -5.813 1.00 0.00 C ATOM 296 CD1 TYR A 20 9.682 -14.993 -5.638 1.00 0.00 C ATOM 297 CD2 TYR A 20 11.314 -16.749 -6.028 1.00 0.00 C ATOM 298 CE1 TYR A 20 8.638 -15.926 -5.697 1.00 0.00 C ATOM 299 CE2 TYR A 20 10.273 -17.689 -6.087 1.00 0.00 C ATOM 300 CZ TYR A 20 8.926 -17.285 -5.930 1.00 0.00 C ATOM 301 OH TYR A 20 7.911 -18.188 -6.033 1.00 0.00 O ATOM 0 H TYR A 20 13.689 -12.520 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 20 11.226 -13.055 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.991 -13.692 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 20 13.078 -14.861 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.457 -13.953 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 20 12.339 -17.068 -6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.616 -15.604 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.503 -18.731 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 20 8.282 -19.080 -6.195 1.00 0.00 H new ATOM 311 N ASP A 21 11.618 -15.066 -2.713 1.00 0.00 N ATOM 312 CA ASP A 21 11.861 -16.218 -1.856 1.00 0.00 C ATOM 313 C ASP A 21 10.886 -17.320 -2.208 1.00 0.00 C ATOM 314 O ASP A 21 9.696 -17.222 -1.923 1.00 0.00 O ATOM 315 CB ASP A 21 11.784 -15.911 -0.361 1.00 0.00 C ATOM 316 CG ASP A 21 12.827 -16.787 0.327 1.00 0.00 C ATOM 317 OD1 ASP A 21 12.827 -18.016 0.088 1.00 0.00 O ATOM 318 OD2 ASP A 21 13.715 -16.222 1.008 1.00 0.00 O ATOM 0 H ASP A 21 10.629 -14.838 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 21 12.888 -16.532 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.982 -14.856 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.787 -16.122 0.026 1.00 0.00 H new ATOM 323 N GLU A 22 11.392 -18.369 -2.841 1.00 0.00 N ATOM 324 CA GLU A 22 10.631 -19.549 -3.227 1.00 0.00 C ATOM 325 C GLU A 22 10.030 -20.284 -2.024 1.00 0.00 C ATOM 326 O GLU A 22 9.023 -20.973 -2.202 1.00 0.00 O ATOM 327 CB GLU A 22 11.508 -20.514 -4.049 1.00 0.00 C ATOM 328 CG GLU A 22 13.007 -20.490 -3.720 1.00 0.00 C ATOM 329 CD GLU A 22 13.785 -21.402 -4.660 1.00 0.00 C ATOM 330 OE1 GLU A 22 14.025 -21.019 -5.828 1.00 0.00 O ATOM 331 OE2 GLU A 22 14.173 -22.511 -4.236 1.00 0.00 O ATOM 0 H GLU A 22 12.375 -18.424 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 22 9.801 -19.199 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.138 -21.529 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.382 -20.280 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.385 -19.471 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.162 -20.807 -2.689 1.00 0.00 H new ATOM 338 N THR A 23 10.609 -20.161 -0.822 1.00 0.00 N ATOM 339 CA THR A 23 10.121 -20.882 0.353 1.00 0.00 C ATOM 340 C THR A 23 8.692 -20.432 0.675 1.00 0.00 C ATOM 341 O THR A 23 7.787 -21.259 0.773 1.00 0.00 O ATOM 342 CB THR A 23 11.133 -20.743 1.509 1.00 0.00 C ATOM 343 OG1 THR A 23 11.036 -21.822 2.416 1.00 0.00 O ATOM 344 CG2 THR A 23 11.077 -19.435 2.300 1.00 0.00 C ATOM 0 H THR A 23 11.418 -19.566 -0.641 1.00 0.00 H new ATOM 0 HA THR A 23 10.051 -21.953 0.162 1.00 0.00 H new ATOM 0 HB THR A 23 12.093 -20.745 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.691 -21.705 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.833 -19.452 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.268 -18.596 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.090 -19.323 2.749 1.00 0.00 H new ATOM 352 N SER A 24 8.480 -19.118 0.755 1.00 0.00 N ATOM 353 CA SER A 24 7.179 -18.502 0.919 1.00 0.00 C ATOM 354 C SER A 24 6.448 -18.496 -0.427 1.00 0.00 C ATOM 355 O SER A 24 5.278 -18.882 -0.498 1.00 0.00 O ATOM 356 CB SER A 24 7.388 -17.086 1.471 1.00 0.00 C ATOM 357 OG SER A 24 7.951 -17.157 2.771 1.00 0.00 O ATOM 0 H SER A 24 9.239 -18.438 0.705 1.00 0.00 H new ATOM 0 HA SER A 24 6.560 -19.060 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.045 -16.521 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.437 -16.555 1.505 1.00 0.00 H new ATOM 0 HG SER A 24 8.085 -16.251 3.120 1.00 0.00 H new ATOM 363 N GLY A 25 7.139 -18.065 -1.486 1.00 0.00 N ATOM 364 CA GLY A 25 6.571 -17.765 -2.791 1.00 0.00 C ATOM 365 C GLY A 25 6.421 -16.255 -2.990 1.00 0.00 C ATOM 366 O GLY A 25 5.716 -15.828 -3.904 1.00 0.00 O ATOM 0 H GLY A 25 8.147 -17.912 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.209 -18.177 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.598 -18.247 -2.887 1.00 0.00 H new ATOM 370 N TYR A 26 7.052 -15.448 -2.131 1.00 0.00 N ATOM 371 CA TYR A 26 6.866 -14.006 -1.990 1.00 0.00 C ATOM 372 C TYR A 26 8.124 -13.286 -2.462 1.00 0.00 C ATOM 373 O TYR A 26 9.109 -13.926 -2.815 1.00 0.00 O ATOM 374 CB TYR A 26 6.550 -13.684 -0.514 1.00 0.00 C ATOM 375 CG TYR A 26 5.066 -13.596 -0.226 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.231 -14.704 -0.464 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.511 -12.385 0.228 1.00 0.00 C ATOM 378 CE1 TYR A 26 2.841 -14.591 -0.301 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.125 -12.275 0.419 1.00 0.00 C ATOM 380 CZ TYR A 26 2.278 -13.365 0.118 1.00 0.00 C ATOM 381 OH TYR A 26 0.927 -13.232 0.231 1.00 0.00 O ATOM 0 H TYR A 26 7.747 -15.809 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 26 6.032 -13.665 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.992 -14.452 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.022 -12.739 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.661 -15.645 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.152 -11.540 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.203 -15.440 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.705 -11.355 0.797 1.00 0.00 H new ATOM 0 HH TYR A 26 0.712 -12.324 0.532 1.00 0.00 H new ATOM 391 N TYR A 27 8.119 -11.957 -2.437 1.00 0.00 N ATOM 392 CA TYR A 27 9.299 -11.137 -2.672 1.00 0.00 C ATOM 393 C TYR A 27 9.596 -10.344 -1.408 1.00 0.00 C ATOM 394 O TYR A 27 8.698 -10.072 -0.613 1.00 0.00 O ATOM 395 CB TYR A 27 9.078 -10.203 -3.868 1.00 0.00 C ATOM 396 CG TYR A 27 8.792 -10.925 -5.168 1.00 0.00 C ATOM 397 CD1 TYR A 27 7.491 -11.391 -5.435 1.00 0.00 C ATOM 398 CD2 TYR A 27 9.836 -11.195 -6.073 1.00 0.00 C ATOM 399 CE1 TYR A 27 7.245 -12.170 -6.575 1.00 0.00 C ATOM 400 CE2 TYR A 27 9.597 -11.971 -7.222 1.00 0.00 C ATOM 401 CZ TYR A 27 8.294 -12.474 -7.464 1.00 0.00 C ATOM 402 OH TYR A 27 8.018 -13.293 -8.511 1.00 0.00 O ATOM 0 H TYR A 27 7.278 -11.411 -2.249 1.00 0.00 H new ATOM 0 HA TYR A 27 10.151 -11.773 -2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.247 -9.534 -3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.963 -9.580 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.682 -11.149 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.825 -10.805 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.249 -12.538 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.399 -12.182 -7.914 1.00 0.00 H new ATOM 0 HH TYR A 27 8.828 -13.422 -9.048 1.00 0.00 H new ATOM 412 N TYR A 28 10.848 -9.940 -1.256 1.00 0.00 N ATOM 413 CA TYR A 28 11.377 -9.106 -0.196 1.00 0.00 C ATOM 414 C TYR A 28 11.839 -7.779 -0.798 1.00 0.00 C ATOM 415 O TYR A 28 12.507 -7.775 -1.840 1.00 0.00 O ATOM 416 CB TYR A 28 12.538 -9.860 0.451 1.00 0.00 C ATOM 417 CG TYR A 28 13.335 -9.053 1.450 1.00 0.00 C ATOM 418 CD1 TYR A 28 12.718 -8.561 2.614 1.00 0.00 C ATOM 419 CD2 TYR A 28 14.697 -8.798 1.211 1.00 0.00 C ATOM 420 CE1 TYR A 28 13.463 -7.834 3.555 1.00 0.00 C ATOM 421 CE2 TYR A 28 15.445 -8.067 2.145 1.00 0.00 C ATOM 422 CZ TYR A 28 14.833 -7.584 3.325 1.00 0.00 C ATOM 423 OH TYR A 28 15.565 -6.912 4.258 1.00 0.00 O ATOM 0 H TYR A 28 11.572 -10.209 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 28 10.624 -8.889 0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 28 12.145 -10.746 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.210 -10.208 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.667 -8.743 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.166 -9.164 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.989 -7.467 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.492 -7.872 1.963 1.00 0.00 H new ATOM 0 HH TYR A 28 16.490 -6.824 3.947 1.00 0.00 H new ATOM 433 N ASP A 29 11.492 -6.674 -0.146 1.00 0.00 N ATOM 434 CA ASP A 29 11.782 -5.292 -0.525 1.00 0.00 C ATOM 435 C ASP A 29 12.995 -4.773 0.244 1.00 0.00 C ATOM 436 O ASP A 29 12.822 -4.235 1.344 1.00 0.00 O ATOM 437 CB ASP A 29 10.582 -4.362 -0.328 1.00 0.00 C ATOM 438 CG ASP A 29 10.839 -2.964 -0.926 1.00 0.00 C ATOM 439 OD1 ASP A 29 12.014 -2.599 -1.158 1.00 0.00 O ATOM 440 OD2 ASP A 29 9.839 -2.282 -1.265 1.00 0.00 O ATOM 0 H ASP A 29 10.962 -6.723 0.724 1.00 0.00 H new ATOM 0 HA ASP A 29 12.007 -5.295 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.701 -4.801 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.365 -4.268 0.736 1.00 0.00 H new ATOM 445 N PRO A 30 14.232 -4.970 -0.229 1.00 0.00 N ATOM 446 CA PRO A 30 15.416 -4.518 0.489 1.00 0.00 C ATOM 447 C PRO A 30 15.496 -3.000 0.678 1.00 0.00 C ATOM 448 O PRO A 30 16.403 -2.535 1.373 1.00 0.00 O ATOM 449 CB PRO A 30 16.592 -4.996 -0.353 1.00 0.00 C ATOM 450 CG PRO A 30 16.036 -5.058 -1.773 1.00 0.00 C ATOM 451 CD PRO A 30 14.586 -5.473 -1.548 1.00 0.00 C ATOM 0 HA PRO A 30 15.403 -4.921 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.435 -4.309 -0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.948 -5.972 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.108 -4.095 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.573 -5.781 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.935 -5.053 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.477 -6.556 -1.596 1.00 0.00 H new ATOM 459 N GLN A 31 14.618 -2.213 0.052 1.00 0.00 N ATOM 460 CA GLN A 31 14.627 -0.768 0.209 1.00 0.00 C ATOM 461 C GLN A 31 14.074 -0.369 1.580 1.00 0.00 C ATOM 462 O GLN A 31 14.463 0.671 2.112 1.00 0.00 O ATOM 463 CB GLN A 31 13.809 -0.121 -0.923 1.00 0.00 C ATOM 464 CG GLN A 31 14.251 1.314 -1.258 1.00 0.00 C ATOM 465 CD GLN A 31 14.703 1.449 -2.716 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.563 0.715 -3.201 1.00 0.00 O ATOM 467 NE2 GLN A 31 14.197 2.413 -3.460 1.00 0.00 N ATOM 0 H GLN A 31 13.889 -2.561 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 31 15.655 -0.410 0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.893 -0.737 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.756 -0.112 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.426 2.001 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.067 1.606 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.483 3.032 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.520 2.540 -4.419 1.00 0.00 H new ATOM 476 N THR A 32 13.187 -1.187 2.149 1.00 0.00 N ATOM 477 CA THR A 32 12.333 -0.818 3.281 1.00 0.00 C ATOM 478 C THR A 32 12.131 -1.950 4.277 1.00 0.00 C ATOM 479 O THR A 32 11.859 -1.683 5.455 1.00 0.00 O ATOM 480 CB THR A 32 10.977 -0.296 2.750 1.00 0.00 C ATOM 481 OG1 THR A 32 10.779 -0.717 1.410 1.00 0.00 O ATOM 482 CG2 THR A 32 11.078 1.228 2.654 1.00 0.00 C ATOM 0 H THR A 32 13.039 -2.144 1.830 1.00 0.00 H new ATOM 0 HA THR A 32 12.844 -0.029 3.833 1.00 0.00 H new ATOM 0 HB THR A 32 10.184 -0.653 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.177 -0.091 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.137 1.632 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.286 1.642 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.884 1.497 1.971 1.00 0.00 H new ATOM 490 N GLY A 33 12.310 -3.192 3.837 1.00 0.00 N ATOM 491 CA GLY A 33 12.373 -4.368 4.673 1.00 0.00 C ATOM 492 C GLY A 33 11.088 -5.183 4.644 1.00 0.00 C ATOM 493 O GLY A 33 11.006 -6.208 5.324 1.00 0.00 O ATOM 0 H GLY A 33 12.419 -3.406 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.203 -4.995 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.584 -4.068 5.699 1.00 0.00 H new ATOM 497 N LEU A 34 10.049 -4.722 3.942 1.00 0.00 N ATOM 498 CA LEU A 34 8.774 -5.412 3.875 1.00 0.00 C ATOM 499 C LEU A 34 8.932 -6.627 2.953 1.00 0.00 C ATOM 500 O LEU A 34 9.929 -6.786 2.247 1.00 0.00 O ATOM 501 CB LEU A 34 7.675 -4.470 3.332 1.00 0.00 C ATOM 502 CG LEU A 34 7.830 -2.963 3.643 1.00 0.00 C ATOM 503 CD1 LEU A 34 8.101 -2.692 5.116 1.00 0.00 C ATOM 504 CD2 LEU A 34 8.497 -2.245 2.500 1.00 0.00 C ATOM 0 H LEU A 34 10.077 -3.855 3.405 1.00 0.00 H new ATOM 0 HA LEU A 34 8.476 -5.734 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.629 -4.590 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.716 -4.802 3.730 1.00 0.00 H new ATOM 0 HG LEU A 34 6.901 -2.393 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.201 -1.618 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.273 -3.073 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.023 -3.191 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.595 -1.187 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.486 -2.671 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.894 -2.357 1.599 1.00 0.00 H new ATOM 516 N TYR A 35 7.882 -7.427 2.895 1.00 0.00 N ATOM 517 CA TYR A 35 7.655 -8.407 1.849 1.00 0.00 C ATOM 518 C TYR A 35 6.531 -7.903 0.944 1.00 0.00 C ATOM 519 O TYR A 35 5.807 -6.965 1.297 1.00 0.00 O ATOM 520 CB TYR A 35 7.386 -9.793 2.456 1.00 0.00 C ATOM 521 CG TYR A 35 8.647 -10.477 2.955 1.00 0.00 C ATOM 522 CD1 TYR A 35 9.271 -10.055 4.145 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.239 -11.496 2.184 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.504 -10.610 4.531 1.00 0.00 C ATOM 525 CE2 TYR A 35 10.458 -12.073 2.577 1.00 0.00 C ATOM 526 CZ TYR A 35 11.117 -11.604 3.736 1.00 0.00 C ATOM 527 OH TYR A 35 12.338 -12.102 4.063 1.00 0.00 O ATOM 0 H TYR A 35 7.141 -7.412 3.596 1.00 0.00 H new ATOM 0 HA TYR A 35 8.545 -8.529 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.683 -9.691 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.908 -10.425 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.801 -9.303 4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.751 -11.837 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.984 -10.275 5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.891 -12.873 1.995 1.00 0.00 H new ATOM 0 HH TYR A 35 12.603 -12.778 3.404 1.00 0.00 H new ATOM 537 N TYR A 36 6.399 -8.514 -0.228 1.00 0.00 N ATOM 538 CA TYR A 36 5.515 -8.126 -1.312 1.00 0.00 C ATOM 539 C TYR A 36 4.996 -9.399 -1.980 1.00 0.00 C ATOM 540 O TYR A 36 5.742 -10.375 -2.101 1.00 0.00 O ATOM 541 CB TYR A 36 6.316 -7.257 -2.294 1.00 0.00 C ATOM 542 CG TYR A 36 5.602 -6.952 -3.597 1.00 0.00 C ATOM 543 CD1 TYR A 36 4.634 -5.933 -3.648 1.00 0.00 C ATOM 544 CD2 TYR A 36 5.888 -7.703 -4.754 1.00 0.00 C ATOM 545 CE1 TYR A 36 3.955 -5.655 -4.846 1.00 0.00 C ATOM 546 CE2 TYR A 36 5.214 -7.436 -5.955 1.00 0.00 C ATOM 547 CZ TYR A 36 4.245 -6.410 -6.006 1.00 0.00 C ATOM 548 OH TYR A 36 3.607 -6.151 -7.180 1.00 0.00 O ATOM 0 H TYR A 36 6.943 -9.346 -0.457 1.00 0.00 H new ATOM 0 HA TYR A 36 4.661 -7.549 -0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.567 -6.316 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.256 -7.760 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.411 -5.360 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.629 -8.488 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.215 -4.869 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.436 -8.014 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 36 3.931 -6.766 -7.871 1.00 0.00 H new ATOM 558 N ASP A 37 3.745 -9.381 -2.437 1.00 0.00 N ATOM 559 CA ASP A 37 3.110 -10.466 -3.179 1.00 0.00 C ATOM 560 C ASP A 37 2.842 -9.986 -4.608 1.00 0.00 C ATOM 561 O ASP A 37 2.403 -8.848 -4.809 1.00 0.00 O ATOM 562 CB ASP A 37 1.769 -10.801 -2.516 1.00 0.00 C ATOM 563 CG ASP A 37 1.050 -11.969 -3.189 1.00 0.00 C ATOM 564 OD1 ASP A 37 1.512 -13.121 -3.112 1.00 0.00 O ATOM 565 OD2 ASP A 37 -0.013 -11.752 -3.813 1.00 0.00 O ATOM 0 H ASP A 37 3.126 -8.583 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 37 3.755 -11.345 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.938 -11.041 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.126 -9.921 -2.542 1.00 0.00 H new ATOM 570 N PRO A 38 2.985 -10.846 -5.626 1.00 0.00 N ATOM 571 CA PRO A 38 2.776 -10.443 -7.009 1.00 0.00 C ATOM 572 C PRO A 38 1.296 -10.343 -7.369 1.00 0.00 C ATOM 573 O PRO A 38 0.938 -9.578 -8.270 1.00 0.00 O ATOM 574 CB PRO A 38 3.474 -11.515 -7.844 1.00 0.00 C ATOM 575 CG PRO A 38 3.335 -12.748 -6.963 1.00 0.00 C ATOM 576 CD PRO A 38 3.565 -12.178 -5.574 1.00 0.00 C ATOM 0 HA PRO A 38 3.179 -9.447 -7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.996 -11.651 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.518 -11.267 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.351 -13.207 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.069 -13.514 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.086 -12.790 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.627 -12.139 -5.332 1.00 0.00 H new ATOM 584 N ASN A 39 0.425 -11.129 -6.732 1.00 0.00 N ATOM 585 CA ASN A 39 -1.020 -11.048 -6.901 1.00 0.00 C ATOM 586 C ASN A 39 -1.577 -9.818 -6.197 1.00 0.00 C ATOM 587 O ASN A 39 -2.514 -9.198 -6.708 1.00 0.00 O ATOM 588 CB ASN A 39 -1.677 -12.331 -6.361 1.00 0.00 C ATOM 589 CG ASN A 39 -2.387 -13.093 -7.451 1.00 0.00 C ATOM 590 OD1 ASN A 39 -3.605 -13.068 -7.561 1.00 0.00 O ATOM 591 ND2 ASN A 39 -1.629 -13.761 -8.294 1.00 0.00 N ATOM 0 H ASN A 39 0.714 -11.852 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.248 -10.955 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.916 -12.967 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.387 -12.074 -5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.055 -14.276 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.616 -13.764 -8.177 1.00 0.00 H new ATOM 598 N SER A 40 -0.980 -9.455 -5.064 1.00 0.00 N ATOM 599 CA SER A 40 -1.613 -8.647 -4.033 1.00 0.00 C ATOM 600 C SER A 40 -0.654 -7.532 -3.650 1.00 0.00 C ATOM 601 O SER A 40 0.194 -7.721 -2.791 1.00 0.00 O ATOM 602 CB SER A 40 -1.999 -9.517 -2.821 1.00 0.00 C ATOM 603 OG SER A 40 -2.387 -10.809 -3.238 1.00 0.00 O ATOM 0 H SER A 40 -0.022 -9.722 -4.836 1.00 0.00 H new ATOM 0 HA SER A 40 -2.538 -8.209 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.155 -9.589 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.815 -9.046 -2.274 1.00 0.00 H new ATOM 0 HG SER A 40 -1.600 -11.392 -3.271 1.00 0.00 H new ATOM 609 N GLN A 41 -0.762 -6.356 -4.261 1.00 0.00 N ATOM 610 CA GLN A 41 0.141 -5.228 -3.995 1.00 0.00 C ATOM 611 C GLN A 41 0.033 -4.678 -2.551 1.00 0.00 C ATOM 612 O GLN A 41 0.635 -3.651 -2.248 1.00 0.00 O ATOM 613 CB GLN A 41 -0.040 -4.124 -5.048 1.00 0.00 C ATOM 614 CG GLN A 41 0.564 -4.459 -6.419 1.00 0.00 C ATOM 615 CD GLN A 41 -0.013 -5.699 -7.096 1.00 0.00 C ATOM 616 OE1 GLN A 41 -1.158 -5.707 -7.537 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.768 -6.762 -7.216 1.00 0.00 N ATOM 0 H GLN A 41 -1.479 -6.152 -4.958 1.00 0.00 H new ATOM 0 HA GLN A 41 1.156 -5.615 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.105 -3.925 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.415 -3.205 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.422 -3.604 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.639 -4.596 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.718 -6.742 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.420 -7.601 -7.680 1.00 0.00 H new ATOM 626 N TYR A 42 -0.723 -5.313 -1.653 1.00 0.00 N ATOM 627 CA TYR A 42 -0.687 -5.056 -0.222 1.00 0.00 C ATOM 628 C TYR A 42 0.559 -5.728 0.366 1.00 0.00 C ATOM 629 O TYR A 42 0.622 -6.959 0.448 1.00 0.00 O ATOM 630 CB TYR A 42 -1.982 -5.553 0.432 1.00 0.00 C ATOM 631 CG TYR A 42 -3.247 -4.979 -0.186 1.00 0.00 C ATOM 632 CD1 TYR A 42 -3.386 -3.591 -0.358 1.00 0.00 C ATOM 633 CD2 TYR A 42 -4.293 -5.829 -0.591 1.00 0.00 C ATOM 634 CE1 TYR A 42 -4.565 -3.057 -0.904 1.00 0.00 C ATOM 635 CE2 TYR A 42 -5.483 -5.304 -1.125 1.00 0.00 C ATOM 636 CZ TYR A 42 -5.626 -3.909 -1.290 1.00 0.00 C ATOM 637 OH TYR A 42 -6.771 -3.396 -1.830 1.00 0.00 O ATOM 0 H TYR A 42 -1.392 -6.037 -1.913 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.623 -3.986 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.017 -6.640 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.961 -5.301 1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.582 -2.931 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.180 -6.898 -0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.662 -1.989 -1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.287 -5.967 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.391 -4.126 -2.037 1.00 0.00 H new ATOM 647 N TYR A 43 1.584 -4.938 0.680 1.00 0.00 N ATOM 648 CA TYR A 43 2.863 -5.346 1.254 1.00 0.00 C ATOM 649 C TYR A 43 2.667 -5.935 2.656 1.00 0.00 C ATOM 650 O TYR A 43 1.657 -5.673 3.311 1.00 0.00 O ATOM 651 CB TYR A 43 3.772 -4.114 1.356 1.00 0.00 C ATOM 652 CG TYR A 43 4.452 -3.670 0.075 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.729 -3.053 -0.962 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.847 -3.800 -0.041 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.391 -2.624 -2.125 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.503 -3.432 -1.229 1.00 0.00 C ATOM 657 CZ TYR A 43 5.767 -2.864 -2.293 1.00 0.00 C ATOM 658 OH TYR A 43 6.350 -2.527 -3.479 1.00 0.00 O ATOM 0 H TYR A 43 1.539 -3.930 0.530 1.00 0.00 H new ATOM 0 HA TYR A 43 3.311 -6.106 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.178 -3.282 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.543 -4.319 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.663 -2.909 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.420 -4.186 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.839 -2.106 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.568 -3.583 -1.328 1.00 0.00 H new ATOM 0 HH TYR A 43 7.253 -2.905 -3.518 1.00 0.00 H new ATOM 668 N TYR A 44 3.675 -6.659 3.147 1.00 0.00 N ATOM 669 CA TYR A 44 3.712 -7.295 4.457 1.00 0.00 C ATOM 670 C TYR A 44 4.889 -6.740 5.245 1.00 0.00 C ATOM 671 O TYR A 44 6.053 -6.979 4.932 1.00 0.00 O ATOM 672 CB TYR A 44 3.821 -8.816 4.341 1.00 0.00 C ATOM 673 CG TYR A 44 3.961 -9.498 5.689 1.00 0.00 C ATOM 674 CD1 TYR A 44 2.895 -9.464 6.609 1.00 0.00 C ATOM 675 CD2 TYR A 44 5.158 -10.153 6.035 1.00 0.00 C ATOM 676 CE1 TYR A 44 3.012 -10.105 7.855 1.00 0.00 C ATOM 677 CE2 TYR A 44 5.290 -10.772 7.288 1.00 0.00 C ATOM 678 CZ TYR A 44 4.216 -10.754 8.203 1.00 0.00 C ATOM 679 OH TYR A 44 4.346 -11.354 9.414 1.00 0.00 O ATOM 0 H TYR A 44 4.528 -6.823 2.612 1.00 0.00 H new ATOM 0 HA TYR A 44 2.780 -7.075 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.937 -9.202 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.681 -9.068 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.983 -8.943 6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.979 -10.179 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.181 -10.101 8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.215 -11.263 7.552 1.00 0.00 H new ATOM 0 HH TYR A 44 5.238 -11.753 9.487 1.00 0.00 H new ATOM 689 N ASN A 45 4.584 -5.967 6.270 1.00 0.00 N ATOM 690 CA ASN A 45 5.538 -5.404 7.199 1.00 0.00 C ATOM 691 C ASN A 45 5.826 -6.420 8.296 1.00 0.00 C ATOM 692 O ASN A 45 5.187 -6.388 9.349 1.00 0.00 O ATOM 693 CB ASN A 45 4.941 -4.122 7.769 1.00 0.00 C ATOM 694 CG ASN A 45 5.875 -3.479 8.769 1.00 0.00 C ATOM 695 OD1 ASN A 45 7.050 -3.263 8.491 1.00 0.00 O ATOM 696 ND2 ASN A 45 5.360 -3.150 9.934 1.00 0.00 N ATOM 0 H ASN A 45 3.622 -5.705 6.485 1.00 0.00 H new ATOM 0 HA ASN A 45 6.481 -5.168 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.735 -3.423 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.988 -4.344 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.942 -2.700 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.378 -3.345 10.131 1.00 0.00 H new ATOM 703 N ALA A 46 6.788 -7.311 8.050 1.00 0.00 N ATOM 704 CA ALA A 46 7.169 -8.415 8.935 1.00 0.00 C ATOM 705 C ALA A 46 7.612 -7.969 10.338 1.00 0.00 C ATOM 706 O ALA A 46 7.679 -8.805 11.236 1.00 0.00 O ATOM 707 CB ALA A 46 8.296 -9.232 8.290 1.00 0.00 C ATOM 0 H ALA A 46 7.345 -7.283 7.196 1.00 0.00 H new ATOM 0 HA ALA A 46 6.270 -9.017 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.576 -10.052 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.953 -9.636 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.161 -8.590 8.122 1.00 0.00 H new ATOM 713 N GLN A 47 7.917 -6.681 10.532 1.00 0.00 N ATOM 714 CA GLN A 47 8.160 -6.065 11.831 1.00 0.00 C ATOM 715 C GLN A 47 6.961 -6.334 12.739 1.00 0.00 C ATOM 716 O GLN A 47 6.990 -7.217 13.594 1.00 0.00 O ATOM 717 CB GLN A 47 8.406 -4.545 11.646 1.00 0.00 C ATOM 718 CG GLN A 47 9.804 -4.165 12.098 1.00 0.00 C ATOM 719 CD GLN A 47 10.089 -2.674 11.923 1.00 0.00 C ATOM 720 OE1 GLN A 47 10.219 -1.928 12.890 1.00 0.00 O ATOM 721 NE2 GLN A 47 10.234 -2.189 10.701 1.00 0.00 N ATOM 0 H GLN A 47 8.003 -6.021 9.759 1.00 0.00 H new ATOM 0 HA GLN A 47 9.048 -6.492 12.297 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.272 -4.275 10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.669 -3.981 12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.930 -4.435 13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.535 -4.741 11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.128 -2.802 9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.452 -1.202 10.567 1.00 0.00 H new ATOM 730 N SER A 48 5.877 -5.594 12.505 1.00 0.00 N ATOM 731 CA SER A 48 4.692 -5.631 13.343 1.00 0.00 C ATOM 732 C SER A 48 3.659 -6.616 12.776 1.00 0.00 C ATOM 733 O SER A 48 2.486 -6.556 13.139 1.00 0.00 O ATOM 734 CB SER A 48 4.111 -4.219 13.478 1.00 0.00 C ATOM 735 OG SER A 48 5.105 -3.266 13.818 1.00 0.00 O ATOM 0 H SER A 48 5.802 -4.948 11.719 1.00 0.00 H new ATOM 0 HA SER A 48 4.965 -5.985 14.337 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.638 -3.930 12.539 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.332 -4.219 14.241 1.00 0.00 H new ATOM 0 HG SER A 48 4.696 -2.379 13.893 1.00 0.00 H new ATOM 741 N GLN A 49 4.070 -7.467 11.828 1.00 0.00 N ATOM 742 CA GLN A 49 3.247 -8.388 11.048 1.00 0.00 C ATOM 743 C GLN A 49 2.109 -7.677 10.291 1.00 0.00 C ATOM 744 O GLN A 49 1.087 -8.288 9.985 1.00 0.00 O ATOM 745 CB GLN A 49 2.749 -9.544 11.946 1.00 0.00 C ATOM 746 CG GLN A 49 3.862 -10.217 12.769 1.00 0.00 C ATOM 747 CD GLN A 49 3.303 -11.343 13.632 1.00 0.00 C ATOM 748 OE1 GLN A 49 2.623 -11.100 14.625 1.00 0.00 O ATOM 749 NE2 GLN A 49 3.583 -12.590 13.290 1.00 0.00 N ATOM 0 H GLN A 49 5.055 -7.532 11.571 1.00 0.00 H new ATOM 0 HA GLN A 49 3.871 -8.820 10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.988 -9.161 12.626 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.268 -10.296 11.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.625 -10.613 12.099 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.348 -9.476 13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.149 -12.777 12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.233 -13.364 13.854 1.00 0.00 H new ATOM 758 N GLN A 50 2.259 -6.383 9.993 1.00 0.00 N ATOM 759 CA GLN A 50 1.171 -5.531 9.531 1.00 0.00 C ATOM 760 C GLN A 50 1.094 -5.493 8.001 1.00 0.00 C ATOM 761 O GLN A 50 2.042 -5.904 7.335 1.00 0.00 O ATOM 762 CB GLN A 50 1.333 -4.155 10.195 1.00 0.00 C ATOM 763 CG GLN A 50 0.049 -3.605 10.837 1.00 0.00 C ATOM 764 CD GLN A 50 -0.721 -4.562 11.761 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.936 -4.441 11.887 1.00 0.00 O ATOM 766 NE2 GLN A 50 -0.074 -5.532 12.387 1.00 0.00 N ATOM 0 H GLN A 50 3.152 -5.896 10.068 1.00 0.00 H new ATOM 0 HA GLN A 50 0.204 -5.936 9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.107 -4.223 10.960 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.685 -3.444 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.308 -2.714 11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.622 -3.288 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.936 -5.625 12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.585 -6.186 12.980 1.00 0.00 H new ATOM 775 N TYR A 51 0.005 -4.981 7.420 1.00 0.00 N ATOM 776 CA TYR A 51 -0.164 -4.900 5.965 1.00 0.00 C ATOM 777 C TYR A 51 -0.083 -3.435 5.532 1.00 0.00 C ATOM 778 O TYR A 51 -0.637 -2.553 6.192 1.00 0.00 O ATOM 779 CB TYR A 51 -1.493 -5.546 5.534 1.00 0.00 C ATOM 780 CG TYR A 51 -1.452 -7.052 5.297 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.904 -7.938 6.248 1.00 0.00 C ATOM 782 CD2 TYR A 51 -2.029 -7.581 4.125 1.00 0.00 C ATOM 783 CE1 TYR A 51 -0.892 -9.325 6.006 1.00 0.00 C ATOM 784 CE2 TYR A 51 -2.023 -8.964 3.878 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.432 -9.844 4.808 1.00 0.00 C ATOM 786 OH TYR A 51 -1.410 -11.186 4.569 1.00 0.00 O ATOM 0 H TYR A 51 -0.786 -4.610 7.946 1.00 0.00 H new ATOM 0 HA TYR A 51 0.635 -5.455 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.241 -5.338 6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.830 -5.062 4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.491 -7.550 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.482 -6.914 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.468 -9.995 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.471 -9.353 2.976 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.823 -11.370 3.700 1.00 0.00 H new ATOM 796 N LEU A 52 0.599 -3.157 4.417 1.00 0.00 N ATOM 797 CA LEU A 52 0.828 -1.806 3.889 1.00 0.00 C ATOM 798 C LEU A 52 0.563 -1.773 2.385 1.00 0.00 C ATOM 799 O LEU A 52 0.259 -2.802 1.792 1.00 0.00 O ATOM 800 CB LEU A 52 2.266 -1.320 4.152 1.00 0.00 C ATOM 801 CG LEU A 52 2.798 -1.405 5.591 1.00 0.00 C ATOM 802 CD1 LEU A 52 4.289 -1.103 5.571 1.00 0.00 C ATOM 803 CD2 LEU A 52 2.157 -0.382 6.524 1.00 0.00 C ATOM 0 H LEU A 52 1.019 -3.885 3.840 1.00 0.00 H new ATOM 0 HA LEU A 52 0.138 -1.140 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.936 -1.895 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.332 -0.280 3.831 1.00 0.00 H new ATOM 0 HG LEU A 52 2.567 -2.405 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.685 -1.159 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.799 -1.832 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.452 -0.102 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.573 -0.492 7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.359 0.624 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.080 -0.546 6.559 1.00 0.00 H new ATOM 815 N TYR A 53 0.717 -0.620 1.743 1.00 0.00 N ATOM 816 CA TYR A 53 0.892 -0.494 0.306 1.00 0.00 C ATOM 817 C TYR A 53 1.826 0.679 0.017 1.00 0.00 C ATOM 818 O TYR A 53 1.941 1.600 0.831 1.00 0.00 O ATOM 819 CB TYR A 53 -0.464 -0.370 -0.407 1.00 0.00 C ATOM 820 CG TYR A 53 -1.350 0.832 -0.115 1.00 0.00 C ATOM 821 CD1 TYR A 53 -2.012 0.949 1.121 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.602 1.784 -1.125 1.00 0.00 C ATOM 823 CE1 TYR A 53 -2.942 1.978 1.339 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.538 2.814 -0.920 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.227 2.901 0.310 1.00 0.00 C ATOM 826 OH TYR A 53 -4.121 3.904 0.522 1.00 0.00 O ATOM 0 H TYR A 53 0.723 0.278 2.226 1.00 0.00 H new ATOM 0 HA TYR A 53 1.355 -1.397 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.273 -0.383 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.040 -1.266 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.803 0.241 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.072 1.722 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.439 2.063 2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.729 3.536 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.199 4.449 -0.288 1.00 0.00 H new ATOM 836 N TRP A 54 2.507 0.635 -1.127 1.00 0.00 N ATOM 837 CA TRP A 54 3.240 1.749 -1.701 1.00 0.00 C ATOM 838 C TRP A 54 2.224 2.640 -2.409 1.00 0.00 C ATOM 839 O TRP A 54 1.550 2.190 -3.347 1.00 0.00 O ATOM 840 CB TRP A 54 4.298 1.246 -2.698 1.00 0.00 C ATOM 841 CG TRP A 54 4.932 2.332 -3.516 1.00 0.00 C ATOM 842 CD1 TRP A 54 4.832 2.462 -4.857 1.00 0.00 C ATOM 843 CD2 TRP A 54 5.723 3.474 -3.068 1.00 0.00 C ATOM 844 NE1 TRP A 54 5.479 3.612 -5.259 1.00 0.00 N ATOM 845 CE2 TRP A 54 6.069 4.269 -4.201 1.00 0.00 C ATOM 846 CE3 TRP A 54 6.188 3.916 -1.817 1.00 0.00 C ATOM 847 CZ2 TRP A 54 6.852 5.434 -4.098 1.00 0.00 C ATOM 848 CZ3 TRP A 54 6.954 5.086 -1.699 1.00 0.00 C ATOM 849 CH2 TRP A 54 7.291 5.850 -2.832 1.00 0.00 C ATOM 0 H TRP A 54 2.562 -0.210 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 54 3.765 2.303 -0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.077 0.717 -2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.835 0.523 -3.370 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.324 1.771 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.516 3.938 -6.225 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.952 3.345 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.111 6.000 -4.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.290 5.405 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.882 6.748 -2.728 1.00 0.00 H new ATOM 860 N ASP A 55 2.119 3.900 -1.994 1.00 0.00 N ATOM 861 CA ASP A 55 1.283 4.900 -2.639 1.00 0.00 C ATOM 862 C ASP A 55 2.172 5.985 -3.223 1.00 0.00 C ATOM 863 O ASP A 55 2.575 6.925 -2.534 1.00 0.00 O ATOM 864 CB ASP A 55 0.222 5.486 -1.698 1.00 0.00 C ATOM 865 CG ASP A 55 -0.626 6.527 -2.435 1.00 0.00 C ATOM 866 OD1 ASP A 55 -0.633 6.498 -3.686 1.00 0.00 O ATOM 867 OD2 ASP A 55 -1.284 7.353 -1.761 1.00 0.00 O ATOM 0 H ASP A 55 2.624 4.258 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 55 0.725 4.414 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.417 4.689 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.705 5.945 -0.835 1.00 0.00 H new ATOM 872 N GLY A 56 2.486 5.845 -4.510 1.00 0.00 N ATOM 873 CA GLY A 56 3.216 6.815 -5.292 1.00 0.00 C ATOM 874 C GLY A 56 2.435 8.110 -5.496 1.00 0.00 C ATOM 875 O GLY A 56 3.072 9.114 -5.794 1.00 0.00 O ATOM 0 H GLY A 56 2.225 5.018 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.161 7.039 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.459 6.385 -6.263 1.00 0.00 H new ATOM 879 N GLU A 57 1.110 8.157 -5.263 1.00 0.00 N ATOM 880 CA GLU A 57 0.390 9.437 -5.274 1.00 0.00 C ATOM 881 C GLU A 57 0.899 10.323 -4.127 1.00 0.00 C ATOM 882 O GLU A 57 0.814 11.554 -4.173 1.00 0.00 O ATOM 883 CB GLU A 57 -1.129 9.236 -5.116 1.00 0.00 C ATOM 884 CG GLU A 57 -1.758 8.305 -6.172 1.00 0.00 C ATOM 885 CD GLU A 57 -3.294 8.278 -6.132 1.00 0.00 C ATOM 886 OE1 GLU A 57 -3.909 9.196 -6.735 1.00 0.00 O ATOM 887 OE2 GLU A 57 -3.910 7.348 -5.560 1.00 0.00 O ATOM 0 H GLU A 57 0.530 7.341 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 57 0.575 9.915 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.329 8.829 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.620 10.208 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.434 8.623 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.381 7.293 -6.023 1.00 0.00 H new ATOM 894 N ARG A 58 1.460 9.700 -3.086 1.00 0.00 N ATOM 895 CA ARG A 58 1.962 10.336 -1.874 1.00 0.00 C ATOM 896 C ARG A 58 3.448 10.083 -1.650 1.00 0.00 C ATOM 897 O ARG A 58 3.993 10.576 -0.660 1.00 0.00 O ATOM 898 CB ARG A 58 1.125 9.820 -0.703 1.00 0.00 C ATOM 899 CG ARG A 58 -0.293 10.377 -0.806 1.00 0.00 C ATOM 900 CD ARG A 58 -1.070 10.124 0.484 1.00 0.00 C ATOM 901 NE ARG A 58 -1.821 11.331 0.857 1.00 0.00 N ATOM 902 CZ ARG A 58 -1.301 12.477 1.317 1.00 0.00 C ATOM 903 NH1 ARG A 58 -0.004 12.610 1.589 1.00 0.00 N ATOM 904 NH2 ARG A 58 -2.113 13.500 1.532 1.00 0.00 N ATOM 0 H ARG A 58 1.580 8.687 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 58 1.866 11.418 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.101 8.730 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.578 10.121 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.254 11.447 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.811 9.912 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.754 9.286 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.384 9.849 1.285 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.835 11.293 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.630 11.823 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.355 13.499 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.112 13.406 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.740 14.382 1.882 1.00 0.00 H new ATOM 918 N ARG A 59 4.083 9.301 -2.525 1.00 0.00 N ATOM 919 CA ARG A 59 5.457 8.808 -2.390 1.00 0.00 C ATOM 920 C ARG A 59 5.714 8.314 -0.966 1.00 0.00 C ATOM 921 O ARG A 59 6.686 8.726 -0.323 1.00 0.00 O ATOM 922 CB ARG A 59 6.479 9.868 -2.831 1.00 0.00 C ATOM 923 CG ARG A 59 6.434 10.162 -4.335 1.00 0.00 C ATOM 924 CD ARG A 59 7.391 11.312 -4.693 1.00 0.00 C ATOM 925 NE ARG A 59 8.784 11.054 -4.275 1.00 0.00 N ATOM 926 CZ ARG A 59 9.794 11.936 -4.249 1.00 0.00 C ATOM 927 NH1 ARG A 59 9.653 13.196 -4.670 1.00 0.00 N ATOM 928 NH2 ARG A 59 10.961 11.535 -3.769 1.00 0.00 N ATOM 0 H ARG A 59 3.636 8.980 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 59 5.583 7.957 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.295 10.791 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.480 9.531 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.708 9.267 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.417 10.423 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.365 11.477 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.040 12.230 -4.221 1.00 0.00 H new ATOM 0 HE ARG A 59 9.001 10.104 -3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.753 13.517 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.445 13.837 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.073 10.579 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.749 12.182 -3.736 1.00 0.00 H new ATOM 942 N THR A 60 4.837 7.463 -0.439 1.00 0.00 N ATOM 943 CA THR A 60 5.016 6.938 0.901 1.00 0.00 C ATOM 944 C THR A 60 4.382 5.554 1.022 1.00 0.00 C ATOM 945 O THR A 60 3.724 5.075 0.095 1.00 0.00 O ATOM 946 CB THR A 60 4.486 7.967 1.920 1.00 0.00 C ATOM 947 OG1 THR A 60 5.012 7.677 3.196 1.00 0.00 O ATOM 948 CG2 THR A 60 2.959 8.027 2.007 1.00 0.00 C ATOM 0 H THR A 60 4.002 7.127 -0.920 1.00 0.00 H new ATOM 0 HA THR A 60 6.073 6.791 1.121 1.00 0.00 H new ATOM 0 HB THR A 60 4.815 8.944 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.972 7.497 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.666 8.774 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.549 8.298 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.573 7.052 2.304 1.00 0.00 H new ATOM 956 N TYR A 61 4.574 4.922 2.179 1.00 0.00 N ATOM 957 CA TYR A 61 3.899 3.690 2.542 1.00 0.00 C ATOM 958 C TYR A 61 2.747 4.026 3.465 1.00 0.00 C ATOM 959 O TYR A 61 2.888 4.819 4.405 1.00 0.00 O ATOM 960 CB TYR A 61 4.856 2.719 3.226 1.00 0.00 C ATOM 961 CG TYR A 61 5.955 2.271 2.299 1.00 0.00 C ATOM 962 CD1 TYR A 61 5.714 1.241 1.374 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.185 2.945 2.298 1.00 0.00 C ATOM 964 CE1 TYR A 61 6.742 0.791 0.532 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.191 2.548 1.410 1.00 0.00 C ATOM 966 CZ TYR A 61 8.001 1.432 0.577 1.00 0.00 C ATOM 967 OH TYR A 61 9.058 0.960 -0.121 1.00 0.00 O ATOM 0 H TYR A 61 5.214 5.262 2.897 1.00 0.00 H new ATOM 0 HA TYR A 61 3.528 3.205 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.293 3.196 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.301 1.850 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.733 0.794 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.355 3.766 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.573 -0.035 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.117 3.101 1.365 1.00 0.00 H new ATOM 0 HH TYR A 61 9.836 1.535 0.036 1.00 0.00 H new ATOM 977 N VAL A 62 1.604 3.417 3.204 1.00 0.00 N ATOM 978 CA VAL A 62 0.369 3.608 3.943 1.00 0.00 C ATOM 979 C VAL A 62 -0.116 2.225 4.392 1.00 0.00 C ATOM 980 O VAL A 62 0.220 1.237 3.741 1.00 0.00 O ATOM 981 CB VAL A 62 -0.632 4.385 3.055 1.00 0.00 C ATOM 982 CG1 VAL A 62 -0.505 5.890 3.315 1.00 0.00 C ATOM 983 CG2 VAL A 62 -0.437 4.198 1.540 1.00 0.00 C ATOM 0 H VAL A 62 1.507 2.748 2.440 1.00 0.00 H new ATOM 0 HA VAL A 62 0.497 4.212 4.841 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.605 3.978 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.213 6.429 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.720 6.098 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.509 6.215 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.185 4.781 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.560 4.537 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.548 3.144 1.286 1.00 0.00 H new ATOM 993 N PRO A 63 -0.887 2.099 5.483 1.00 0.00 N ATOM 994 CA PRO A 63 -1.329 0.802 5.977 1.00 0.00 C ATOM 995 C PRO A 63 -2.597 0.359 5.229 1.00 0.00 C ATOM 996 O PRO A 63 -3.546 1.138 5.110 1.00 0.00 O ATOM 997 CB PRO A 63 -1.596 1.026 7.460 1.00 0.00 C ATOM 998 CG PRO A 63 -2.022 2.491 7.544 1.00 0.00 C ATOM 999 CD PRO A 63 -1.263 3.162 6.400 1.00 0.00 C ATOM 0 HA PRO A 63 -0.594 0.012 5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.377 0.362 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.706 0.835 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.100 2.601 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.760 2.928 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.887 3.903 5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.382 3.685 6.772 1.00 0.00 H new ATOM 1007 N ALA A 64 -2.641 -0.880 4.728 1.00 0.00 N ATOM 1008 CA ALA A 64 -3.677 -1.293 3.772 1.00 0.00 C ATOM 1009 C ALA A 64 -4.927 -1.927 4.377 1.00 0.00 C ATOM 1010 O ALA A 64 -5.673 -2.616 3.673 1.00 0.00 O ATOM 1011 CB ALA A 64 -3.102 -2.231 2.706 1.00 0.00 C ATOM 0 H ALA A 64 -1.974 -1.613 4.967 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.007 -0.353 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.891 -2.520 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.309 -1.719 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.696 -3.122 3.186 1.00 0.00 H new