USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 Single : A 9 THR OG1 : rot 25:sc= 0.176 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.0287 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.3!) USER MOD Single : A 30 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.3!) USER MOD Single : A 33 TYR OH : rot 120:sc= -0.779 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.00613 USER MOD Single : A 38 SER OG : rot 54:sc= 0.0162 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-1.3) USER MOD Single : A 47 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.35) USER MOD Single : A 50 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.013) USER MOD Single : A 52 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= -1.09 USER MOD Single : A 59 SER OG : rot -84:sc= 1.64 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.801 1.739 -8.960 1.00 25.01 N ATOM 104 CA THR A 9 17.224 2.010 -8.796 1.00 10.15 C ATOM 105 C THR A 9 17.452 3.348 -8.102 1.00 1.13 C ATOM 106 O THR A 9 16.640 4.266 -8.218 1.00 74.30 O ATOM 107 CB THR A 9 17.955 2.017 -10.151 1.00 70.44 C ATOM 108 OG1 THR A 9 17.624 0.836 -10.892 1.00 2.51 O ATOM 109 CG2 THR A 9 19.461 2.092 -9.954 1.00 24.45 C ATOM 0 HA THR A 9 17.629 1.209 -8.178 1.00 10.15 H new ATOM 0 HB THR A 9 17.634 2.897 -10.707 1.00 70.44 H new ATOM 0 HG1 THR A 9 16.755 0.496 -10.594 1.00 2.51 H new ATOM 0 HG21 THR A 9 19.955 2.096 -10.925 1.00 24.45 H new ATOM 0 HG22 THR A 9 19.712 3.006 -9.416 1.00 24.45 H new ATOM 0 HG23 THR A 9 19.796 1.228 -9.380 1.00 24.45 H new ATOM 117 N VAL A 10 18.563 3.453 -7.380 1.00 3.42 N ATOM 118 CA VAL A 10 18.899 4.681 -6.668 1.00 64.23 C ATOM 119 C VAL A 10 20.228 5.250 -7.152 1.00 4.01 C ATOM 120 O VAL A 10 21.086 4.519 -7.646 1.00 64.51 O ATOM 121 CB VAL A 10 18.977 4.445 -5.148 1.00 41.02 C ATOM 122 CG1 VAL A 10 19.041 5.770 -4.405 1.00 11.43 C ATOM 123 CG2 VAL A 10 17.792 3.616 -4.677 1.00 13.33 C ATOM 0 H VAL A 10 19.246 2.703 -7.272 1.00 3.42 H new ATOM 0 HA VAL A 10 18.103 5.396 -6.877 1.00 64.23 H new ATOM 0 HB VAL A 10 19.889 3.890 -4.930 1.00 41.02 H new ATOM 0 HG11 VAL A 10 19.096 5.583 -3.332 1.00 11.43 H new ATOM 0 HG12 VAL A 10 19.925 6.323 -4.723 1.00 11.43 H new ATOM 0 HG13 VAL A 10 18.148 6.355 -4.626 1.00 11.43 H new ATOM 0 HG21 VAL A 10 17.863 3.459 -3.601 1.00 13.33 H new ATOM 0 HG22 VAL A 10 16.866 4.142 -4.907 1.00 13.33 H new ATOM 0 HG23 VAL A 10 17.797 2.652 -5.186 1.00 13.33 H new ATOM 133 N VAL A 11 20.393 6.561 -7.006 1.00 33.04 N ATOM 134 CA VAL A 11 21.618 7.229 -7.426 1.00 4.41 C ATOM 135 C VAL A 11 22.168 8.118 -6.316 1.00 23.13 C ATOM 136 O VAL A 11 21.413 8.650 -5.502 1.00 1.42 O ATOM 137 CB VAL A 11 21.388 8.085 -8.686 1.00 34.41 C ATOM 138 CG1 VAL A 11 20.928 7.214 -9.845 1.00 52.14 C ATOM 139 CG2 VAL A 11 20.379 9.187 -8.403 1.00 55.34 C ATOM 0 H VAL A 11 19.693 7.181 -6.600 1.00 33.04 H new ATOM 0 HA VAL A 11 22.342 6.447 -7.654 1.00 4.41 H new ATOM 0 HB VAL A 11 22.332 8.552 -8.966 1.00 34.41 H new ATOM 0 HG11 VAL A 11 20.770 7.835 -10.727 1.00 52.14 H new ATOM 0 HG12 VAL A 11 21.689 6.464 -10.061 1.00 52.14 H new ATOM 0 HG13 VAL A 11 19.995 6.718 -9.579 1.00 52.14 H new ATOM 0 HG21 VAL A 11 20.228 9.782 -9.304 1.00 55.34 H new ATOM 0 HG22 VAL A 11 19.431 8.743 -8.098 1.00 55.34 H new ATOM 0 HG23 VAL A 11 20.753 9.827 -7.604 1.00 55.34 H new ATOM 149 N ILE A 12 23.488 8.274 -6.289 1.00 75.21 N ATOM 150 CA ILE A 12 24.138 9.099 -5.279 1.00 44.45 C ATOM 151 C ILE A 12 24.693 10.381 -5.892 1.00 1.24 C ATOM 152 O ILE A 12 25.329 10.353 -6.945 1.00 2.54 O ATOM 153 CB ILE A 12 25.283 8.340 -4.583 1.00 33.51 C ATOM 154 CG1 ILE A 12 24.914 6.864 -4.411 1.00 43.44 C ATOM 155 CG2 ILE A 12 25.596 8.973 -3.236 1.00 21.13 C ATOM 156 CD1 ILE A 12 25.964 6.061 -3.677 1.00 24.21 C ATOM 0 H ILE A 12 24.127 7.840 -6.955 1.00 75.21 H new ATOM 0 HA ILE A 12 23.378 9.350 -4.540 1.00 44.45 H new ATOM 0 HB ILE A 12 26.174 8.403 -5.208 1.00 33.51 H new ATOM 0 HG12 ILE A 12 23.971 6.794 -3.870 1.00 43.44 H new ATOM 0 HG13 ILE A 12 24.751 6.422 -5.394 1.00 43.44 H new ATOM 0 HG21 ILE A 12 26.407 8.425 -2.756 1.00 21.13 H new ATOM 0 HG22 ILE A 12 25.896 10.011 -3.382 1.00 21.13 H new ATOM 0 HG23 ILE A 12 24.710 8.937 -2.602 1.00 21.13 H new ATOM 0 HD11 ILE A 12 25.636 5.025 -3.592 1.00 24.21 H new ATOM 0 HD12 ILE A 12 26.903 6.100 -4.229 1.00 24.21 H new ATOM 0 HD13 ILE A 12 26.111 6.478 -2.681 1.00 24.21 H new ATOM 168 N ALA A 13 24.449 11.504 -5.223 1.00 73.42 N ATOM 169 CA ALA A 13 24.927 12.796 -5.699 1.00 70.31 C ATOM 170 C ALA A 13 26.426 12.947 -5.463 1.00 12.22 C ATOM 171 O ALA A 13 26.914 12.737 -4.352 1.00 11.25 O ATOM 172 CB ALA A 13 24.167 13.924 -5.018 1.00 35.44 C ATOM 0 H ALA A 13 23.923 11.544 -4.350 1.00 73.42 H new ATOM 0 HA ALA A 13 24.747 12.849 -6.773 1.00 70.31 H new ATOM 0 HB1 ALA A 13 24.535 14.883 -5.383 1.00 35.44 H new ATOM 0 HB2 ALA A 13 23.104 13.834 -5.242 1.00 35.44 H new ATOM 0 HB3 ALA A 13 24.317 13.865 -3.940 1.00 35.44 H new ATOM 178 N LEU A 14 27.152 13.312 -6.514 1.00 13.22 N ATOM 179 CA LEU A 14 28.596 13.491 -6.421 1.00 5.32 C ATOM 180 C LEU A 14 28.944 14.931 -6.057 1.00 3.22 C ATOM 181 O LEU A 14 29.952 15.190 -5.399 1.00 22.35 O ATOM 182 CB LEU A 14 29.263 13.112 -7.744 1.00 44.52 C ATOM 183 CG LEU A 14 28.655 11.921 -8.485 1.00 45.13 C ATOM 184 CD1 LEU A 14 29.486 11.574 -9.711 1.00 3.40 C ATOM 185 CD2 LEU A 14 28.541 10.719 -7.559 1.00 55.12 C ATOM 0 H LEU A 14 26.764 13.490 -7.440 1.00 13.22 H new ATOM 0 HA LEU A 14 28.968 12.836 -5.633 1.00 5.32 H new ATOM 0 HB2 LEU A 14 29.233 13.979 -8.404 1.00 44.52 H new ATOM 0 HB3 LEU A 14 30.313 12.895 -7.549 1.00 44.52 H new ATOM 0 HG LEU A 14 27.654 12.196 -8.816 1.00 45.13 H new ATOM 0 HD11 LEU A 14 29.038 10.724 -10.226 1.00 3.40 H new ATOM 0 HD12 LEU A 14 29.517 12.431 -10.384 1.00 3.40 H new ATOM 0 HD13 LEU A 14 30.500 11.318 -9.403 1.00 3.40 H new ATOM 0 HD21 LEU A 14 28.106 9.881 -8.103 1.00 55.12 H new ATOM 0 HD22 LEU A 14 29.532 10.443 -7.198 1.00 55.12 H new ATOM 0 HD23 LEU A 14 27.903 10.972 -6.712 1.00 55.12 H new ATOM 197 N TYR A 15 28.103 15.864 -6.487 1.00 51.45 N ATOM 198 CA TYR A 15 28.321 17.279 -6.207 1.00 63.53 C ATOM 199 C TYR A 15 26.994 18.015 -6.054 1.00 30.11 C ATOM 200 O TYR A 15 25.980 17.616 -6.627 1.00 60.11 O ATOM 201 CB TYR A 15 29.147 17.920 -7.324 1.00 31.31 C ATOM 202 CG TYR A 15 30.382 17.130 -7.694 1.00 21.14 C ATOM 203 CD1 TYR A 15 31.559 17.263 -6.967 1.00 61.34 C ATOM 204 CD2 TYR A 15 30.372 16.250 -8.769 1.00 34.21 C ATOM 205 CE1 TYR A 15 32.690 16.544 -7.302 1.00 60.43 C ATOM 206 CE2 TYR A 15 31.497 15.525 -9.110 1.00 45.51 C ATOM 207 CZ TYR A 15 32.654 15.676 -8.374 1.00 42.21 C ATOM 208 OH TYR A 15 33.778 14.957 -8.710 1.00 3.00 O ATOM 0 H TYR A 15 27.263 15.667 -7.031 1.00 51.45 H new ATOM 0 HA TYR A 15 28.869 17.357 -5.268 1.00 63.53 H new ATOM 0 HB2 TYR A 15 28.520 18.034 -8.208 1.00 31.31 H new ATOM 0 HB3 TYR A 15 29.446 18.921 -7.014 1.00 31.31 H new ATOM 0 HD1 TYR A 15 31.590 17.940 -6.126 1.00 61.34 H new ATOM 0 HD2 TYR A 15 29.468 16.131 -9.348 1.00 34.21 H new ATOM 0 HE1 TYR A 15 33.597 16.661 -6.728 1.00 60.43 H new ATOM 0 HE2 TYR A 15 31.471 14.844 -9.948 1.00 45.51 H new ATOM 0 HH TYR A 15 33.585 14.392 -9.487 1.00 3.00 H new ATOM 218 N ASP A 16 27.009 19.092 -5.277 1.00 1.21 N ATOM 219 CA ASP A 16 25.808 19.887 -5.048 1.00 60.02 C ATOM 220 C ASP A 16 25.355 20.569 -6.335 1.00 54.12 C ATOM 221 O ASP A 16 25.881 21.616 -6.714 1.00 32.15 O ATOM 222 CB ASP A 16 26.063 20.935 -3.964 1.00 32.35 C ATOM 223 CG ASP A 16 27.309 21.755 -4.233 1.00 12.44 C ATOM 224 OD1 ASP A 16 28.420 21.256 -3.955 1.00 53.43 O ATOM 225 OD2 ASP A 16 27.173 22.896 -4.721 1.00 41.43 O ATOM 0 H ASP A 16 27.840 19.435 -4.795 1.00 1.21 H new ATOM 0 HA ASP A 16 25.016 19.216 -4.715 1.00 60.02 H new ATOM 0 HB2 ASP A 16 25.202 21.600 -3.896 1.00 32.35 H new ATOM 0 HB3 ASP A 16 26.160 20.439 -2.998 1.00 32.35 H new ATOM 230 N TYR A 17 24.377 19.969 -7.004 1.00 35.51 N ATOM 231 CA TYR A 17 23.855 20.516 -8.250 1.00 73.05 C ATOM 232 C TYR A 17 22.787 21.571 -7.977 1.00 42.14 C ATOM 233 O TYR A 17 22.057 21.489 -6.991 1.00 35.44 O ATOM 234 CB TYR A 17 23.273 19.399 -9.119 1.00 21.14 C ATOM 235 CG TYR A 17 22.531 19.902 -10.336 1.00 12.11 C ATOM 236 CD1 TYR A 17 23.213 20.473 -11.403 1.00 4.30 C ATOM 237 CD2 TYR A 17 21.147 19.808 -10.419 1.00 22.43 C ATOM 238 CE1 TYR A 17 22.539 20.935 -12.517 1.00 4.20 C ATOM 239 CE2 TYR A 17 20.465 20.265 -11.529 1.00 41.43 C ATOM 240 CZ TYR A 17 21.166 20.829 -12.576 1.00 35.44 C ATOM 241 OH TYR A 17 20.490 21.287 -13.683 1.00 54.11 O ATOM 0 H TYR A 17 23.930 19.103 -6.704 1.00 35.51 H new ATOM 0 HA TYR A 17 24.680 20.989 -8.782 1.00 73.05 H new ATOM 0 HB2 TYR A 17 24.081 18.743 -9.442 1.00 21.14 H new ATOM 0 HB3 TYR A 17 22.596 18.796 -8.515 1.00 21.14 H new ATOM 0 HD1 TYR A 17 24.289 20.557 -11.361 1.00 4.30 H new ATOM 0 HD2 TYR A 17 20.595 19.370 -9.601 1.00 22.43 H new ATOM 0 HE1 TYR A 17 23.085 21.377 -13.337 1.00 4.20 H new ATOM 0 HE2 TYR A 17 19.389 20.182 -11.578 1.00 41.43 H new ATOM 0 HH TYR A 17 19.529 21.136 -13.565 1.00 54.11 H new ATOM 251 N GLN A 18 22.704 22.561 -8.860 1.00 0.51 N ATOM 252 CA GLN A 18 21.726 23.633 -8.715 1.00 3.43 C ATOM 253 C GLN A 18 21.075 23.961 -10.054 1.00 41.42 C ATOM 254 O GLN A 18 21.760 24.247 -11.037 1.00 1.21 O ATOM 255 CB GLN A 18 22.391 24.884 -8.138 1.00 3.24 C ATOM 256 CG GLN A 18 22.472 24.885 -6.620 1.00 30.14 C ATOM 257 CD GLN A 18 22.768 26.259 -6.052 1.00 32.04 C ATOM 258 OE1 GLN A 18 21.856 27.004 -5.690 1.00 60.51 O ATOM 259 NE2 GLN A 18 24.048 26.603 -5.970 1.00 32.15 N ATOM 0 H GLN A 18 23.302 22.643 -9.683 1.00 0.51 H new ATOM 0 HA GLN A 18 20.951 23.293 -8.029 1.00 3.43 H new ATOM 0 HB2 GLN A 18 23.397 24.972 -8.547 1.00 3.24 H new ATOM 0 HB3 GLN A 18 21.836 25.764 -8.464 1.00 3.24 H new ATOM 0 HG2 GLN A 18 21.530 24.522 -6.210 1.00 30.14 H new ATOM 0 HG3 GLN A 18 23.248 24.189 -6.301 1.00 30.14 H new ATOM 0 HE21 GLN A 18 24.771 25.955 -6.281 1.00 32.15 H new ATOM 0 HE22 GLN A 18 24.308 27.515 -5.596 1.00 32.15 H new ATOM 268 N THR A 19 19.747 23.918 -10.087 1.00 53.14 N ATOM 269 CA THR A 19 19.003 24.209 -11.306 1.00 73.03 C ATOM 270 C THR A 19 18.639 25.687 -11.389 1.00 11.00 C ATOM 271 O THR A 19 18.657 26.397 -10.385 1.00 15.24 O ATOM 272 CB THR A 19 17.714 23.369 -11.392 1.00 1.31 C ATOM 273 OG1 THR A 19 16.950 23.760 -12.539 1.00 23.45 O ATOM 274 CG2 THR A 19 16.874 23.538 -10.135 1.00 52.01 C ATOM 0 H THR A 19 19.164 23.684 -9.283 1.00 53.14 H new ATOM 0 HA THR A 19 19.653 23.950 -12.142 1.00 73.03 H new ATOM 0 HB THR A 19 17.995 22.320 -11.484 1.00 1.31 H new ATOM 0 HG1 THR A 19 16.056 24.045 -12.255 1.00 23.45 H new ATOM 0 HG21 THR A 19 15.969 22.936 -10.218 1.00 52.01 H new ATOM 0 HG22 THR A 19 17.448 23.212 -9.267 1.00 52.01 H new ATOM 0 HG23 THR A 19 16.602 24.587 -10.017 1.00 52.01 H new ATOM 282 N ASN A 20 18.309 26.144 -12.593 1.00 13.05 N ATOM 283 CA ASN A 20 17.940 27.539 -12.806 1.00 23.12 C ATOM 284 C ASN A 20 16.424 27.707 -12.810 1.00 31.54 C ATOM 285 O ASN A 20 15.907 28.782 -12.507 1.00 42.33 O ATOM 286 CB ASN A 20 18.524 28.046 -14.126 1.00 50.20 C ATOM 287 CG ASN A 20 19.996 28.392 -14.012 1.00 62.24 C ATOM 288 OD1 ASN A 20 20.357 29.474 -13.550 1.00 22.04 O ATOM 289 ND2 ASN A 20 20.854 27.471 -14.436 1.00 23.03 N ATOM 0 H ASN A 20 18.290 25.569 -13.435 1.00 13.05 H new ATOM 0 HA ASN A 20 18.350 28.127 -11.985 1.00 23.12 H new ATOM 0 HB2 ASN A 20 18.391 27.285 -14.895 1.00 50.20 H new ATOM 0 HB3 ASN A 20 17.971 28.927 -14.450 1.00 50.20 H new ATOM 0 HD21 ASN A 20 21.857 27.647 -14.386 1.00 23.03 H new ATOM 0 HD22 ASN A 20 20.509 26.588 -14.812 1.00 23.03 H new ATOM 296 N ASP A 21 15.717 26.636 -13.153 1.00 72.33 N ATOM 297 CA ASP A 21 14.259 26.663 -13.195 1.00 23.11 C ATOM 298 C ASP A 21 13.670 25.589 -12.286 1.00 74.23 C ATOM 299 O ASP A 21 14.334 24.620 -11.918 1.00 34.42 O ATOM 300 CB ASP A 21 13.765 26.463 -14.628 1.00 40.55 C ATOM 301 CG ASP A 21 13.685 27.766 -15.400 1.00 10.22 C ATOM 302 OD1 ASP A 21 14.727 28.208 -15.927 1.00 70.23 O ATOM 303 OD2 ASP A 21 12.581 28.345 -15.475 1.00 75.42 O ATOM 0 H ASP A 21 16.130 25.738 -13.406 1.00 72.33 H new ATOM 0 HA ASP A 21 13.927 27.638 -12.838 1.00 23.11 H new ATOM 0 HB2 ASP A 21 14.434 25.777 -15.147 1.00 40.55 H new ATOM 0 HB3 ASP A 21 12.781 25.995 -14.608 1.00 40.55 H new ATOM 308 N PRO A 22 12.393 25.763 -11.915 1.00 12.45 N ATOM 309 CA PRO A 22 11.686 24.820 -11.044 1.00 34.51 C ATOM 310 C PRO A 22 11.405 23.491 -11.737 1.00 33.42 C ATOM 311 O PRO A 22 11.094 22.494 -11.084 1.00 40.44 O ATOM 312 CB PRO A 22 10.375 25.544 -10.725 1.00 44.14 C ATOM 313 CG PRO A 22 10.168 26.473 -11.872 1.00 31.14 C ATOM 314 CD PRO A 22 11.541 26.895 -12.316 1.00 12.40 C ATOM 0 HA PRO A 22 12.272 24.563 -10.162 1.00 34.51 H new ATOM 0 HB2 PRO A 22 9.547 24.841 -10.630 1.00 44.14 H new ATOM 0 HB3 PRO A 22 10.442 26.087 -9.782 1.00 44.14 H new ATOM 0 HG2 PRO A 22 9.631 25.980 -12.682 1.00 31.14 H new ATOM 0 HG3 PRO A 22 9.572 27.335 -11.573 1.00 31.14 H new ATOM 0 HD2 PRO A 22 11.580 27.066 -13.392 1.00 12.40 H new ATOM 0 HD3 PRO A 22 11.852 27.822 -11.834 1.00 12.40 H new ATOM 322 N GLN A 23 11.516 23.484 -13.061 1.00 64.31 N ATOM 323 CA GLN A 23 11.274 22.276 -13.841 1.00 52.15 C ATOM 324 C GLN A 23 12.222 21.157 -13.422 1.00 51.42 C ATOM 325 O GLN A 23 11.845 19.986 -13.406 1.00 2.12 O ATOM 326 CB GLN A 23 11.437 22.567 -15.334 1.00 65.43 C ATOM 327 CG GLN A 23 10.697 21.586 -16.230 1.00 0.43 C ATOM 328 CD GLN A 23 11.184 21.624 -17.665 1.00 2.13 C ATOM 329 OE1 GLN A 23 12.355 21.901 -17.928 1.00 52.00 O ATOM 330 NE2 GLN A 23 10.286 21.345 -18.603 1.00 24.05 N ATOM 0 H GLN A 23 11.772 24.301 -13.616 1.00 64.31 H new ATOM 0 HA GLN A 23 10.251 21.950 -13.651 1.00 52.15 H new ATOM 0 HB2 GLN A 23 11.079 23.576 -15.540 1.00 65.43 H new ATOM 0 HB3 GLN A 23 12.497 22.547 -15.586 1.00 65.43 H new ATOM 0 HG2 GLN A 23 10.819 20.577 -15.836 1.00 0.43 H new ATOM 0 HG3 GLN A 23 9.631 21.811 -16.206 1.00 0.43 H new ATOM 0 HE21 GLN A 23 9.326 21.121 -18.340 1.00 24.05 H new ATOM 0 HE22 GLN A 23 10.556 21.355 -19.587 1.00 24.05 H new ATOM 339 N GLU A 24 13.453 21.527 -13.084 1.00 43.34 N ATOM 340 CA GLU A 24 14.455 20.554 -12.666 1.00 60.33 C ATOM 341 C GLU A 24 14.694 20.631 -11.161 1.00 74.31 C ATOM 342 O GLU A 24 14.315 21.605 -10.510 1.00 14.11 O ATOM 343 CB GLU A 24 15.769 20.787 -13.415 1.00 0.43 C ATOM 344 CG GLU A 24 15.581 21.128 -14.883 1.00 53.14 C ATOM 345 CD GLU A 24 16.556 20.393 -15.782 1.00 41.54 C ATOM 346 OE1 GLU A 24 16.397 19.167 -15.955 1.00 0.14 O ATOM 347 OE2 GLU A 24 17.479 21.046 -16.314 1.00 51.11 O ATOM 0 H GLU A 24 13.780 22.493 -13.091 1.00 43.34 H new ATOM 0 HA GLU A 24 14.080 19.559 -12.906 1.00 60.33 H new ATOM 0 HB2 GLU A 24 16.315 21.596 -12.930 1.00 0.43 H new ATOM 0 HB3 GLU A 24 16.387 19.892 -13.335 1.00 0.43 H new ATOM 0 HG2 GLU A 24 14.562 20.883 -15.181 1.00 53.14 H new ATOM 0 HG3 GLU A 24 15.704 22.202 -15.021 1.00 53.14 H new ATOM 354 N LEU A 25 15.324 19.597 -10.614 1.00 72.15 N ATOM 355 CA LEU A 25 15.613 19.546 -9.186 1.00 23.34 C ATOM 356 C LEU A 25 17.102 19.750 -8.924 1.00 10.41 C ATOM 357 O LEU A 25 17.910 19.757 -9.852 1.00 2.21 O ATOM 358 CB LEU A 25 15.161 18.207 -8.601 1.00 75.41 C ATOM 359 CG LEU A 25 14.026 18.270 -7.578 1.00 73.03 C ATOM 360 CD1 LEU A 25 12.856 19.071 -8.128 1.00 52.20 C ATOM 361 CD2 LEU A 25 13.579 16.868 -7.190 1.00 12.11 C ATOM 0 H LEU A 25 15.644 18.783 -11.138 1.00 72.15 H new ATOM 0 HA LEU A 25 15.063 20.352 -8.701 1.00 23.34 H new ATOM 0 HB2 LEU A 25 14.848 17.562 -9.422 1.00 75.41 H new ATOM 0 HB3 LEU A 25 16.021 17.730 -8.131 1.00 75.41 H new ATOM 0 HG LEU A 25 14.396 18.772 -6.684 1.00 73.03 H new ATOM 0 HD11 LEU A 25 12.058 19.105 -7.386 1.00 52.20 H new ATOM 0 HD12 LEU A 25 13.184 20.085 -8.355 1.00 52.20 H new ATOM 0 HD13 LEU A 25 12.486 18.597 -9.037 1.00 52.20 H new ATOM 0 HD21 LEU A 25 12.771 16.932 -6.461 1.00 12.11 H new ATOM 0 HD22 LEU A 25 13.227 16.340 -8.076 1.00 12.11 H new ATOM 0 HD23 LEU A 25 14.418 16.326 -6.754 1.00 12.11 H new ATOM 373 N ALA A 26 17.457 19.915 -7.654 1.00 22.01 N ATOM 374 CA ALA A 26 18.849 20.115 -7.270 1.00 11.33 C ATOM 375 C ALA A 26 19.388 18.908 -6.509 1.00 54.51 C ATOM 376 O ALA A 26 18.640 18.210 -5.822 1.00 45.42 O ATOM 377 CB ALA A 26 18.988 21.376 -6.430 1.00 2.33 C ATOM 0 H ALA A 26 16.800 19.914 -6.874 1.00 22.01 H new ATOM 0 HA ALA A 26 19.438 20.230 -8.180 1.00 11.33 H new ATOM 0 HB1 ALA A 26 20.032 21.513 -6.150 1.00 2.33 H new ATOM 0 HB2 ALA A 26 18.651 22.237 -7.007 1.00 2.33 H new ATOM 0 HB3 ALA A 26 18.380 21.282 -5.530 1.00 2.33 H new ATOM 383 N LEU A 27 20.688 18.667 -6.636 1.00 52.31 N ATOM 384 CA LEU A 27 21.327 17.543 -5.961 1.00 0.34 C ATOM 385 C LEU A 27 22.130 18.018 -4.754 1.00 44.53 C ATOM 386 O LEU A 27 22.485 19.193 -4.656 1.00 13.44 O ATOM 387 CB LEU A 27 22.239 16.791 -6.931 1.00 43.54 C ATOM 388 CG LEU A 27 21.599 16.348 -8.247 1.00 42.13 C ATOM 389 CD1 LEU A 27 22.669 16.009 -9.274 1.00 11.13 C ATOM 390 CD2 LEU A 27 20.680 15.157 -8.019 1.00 22.14 C ATOM 0 H LEU A 27 21.320 19.235 -7.200 1.00 52.31 H new ATOM 0 HA LEU A 27 20.545 16.869 -5.612 1.00 0.34 H new ATOM 0 HB2 LEU A 27 23.094 17.427 -7.162 1.00 43.54 H new ATOM 0 HB3 LEU A 27 22.627 15.908 -6.423 1.00 43.54 H new ATOM 0 HG LEU A 27 21.002 17.174 -8.634 1.00 42.13 H new ATOM 0 HD11 LEU A 27 22.194 15.696 -10.204 1.00 11.13 H new ATOM 0 HD12 LEU A 27 23.287 16.888 -9.460 1.00 11.13 H new ATOM 0 HD13 LEU A 27 23.294 15.200 -8.895 1.00 11.13 H new ATOM 0 HD21 LEU A 27 20.233 14.855 -8.966 1.00 22.14 H new ATOM 0 HD22 LEU A 27 21.255 14.327 -7.608 1.00 22.14 H new ATOM 0 HD23 LEU A 27 19.892 15.434 -7.318 1.00 22.14 H new ATOM 402 N ARG A 28 22.416 17.097 -3.840 1.00 43.11 N ATOM 403 CA ARG A 28 23.179 17.422 -2.641 1.00 20.32 C ATOM 404 C ARG A 28 24.321 16.430 -2.438 1.00 1.21 C ATOM 405 O ARG A 28 24.109 15.218 -2.425 1.00 74.32 O ATOM 406 CB ARG A 28 22.265 17.422 -1.414 1.00 23.51 C ATOM 407 CG ARG A 28 22.844 18.169 -0.224 1.00 14.33 C ATOM 408 CD ARG A 28 22.811 19.674 -0.442 1.00 33.14 C ATOM 409 NE ARG A 28 21.560 20.267 0.023 1.00 13.03 N ATOM 410 CZ ARG A 28 21.310 21.572 -0.003 1.00 25.51 C ATOM 411 NH1 ARG A 28 22.221 22.415 -0.469 1.00 63.44 N ATOM 412 NH2 ARG A 28 20.148 22.035 0.438 1.00 51.12 N ATOM 0 H ARG A 28 22.131 16.120 -3.907 1.00 43.11 H new ATOM 0 HA ARG A 28 23.604 18.418 -2.769 1.00 20.32 H new ATOM 0 HB2 ARG A 28 21.309 17.870 -1.684 1.00 23.51 H new ATOM 0 HB3 ARG A 28 22.063 16.392 -1.122 1.00 23.51 H new ATOM 0 HG2 ARG A 28 22.280 17.918 0.674 1.00 14.33 H new ATOM 0 HG3 ARG A 28 23.872 17.847 -0.056 1.00 14.33 H new ATOM 0 HD2 ARG A 28 23.648 20.135 0.083 1.00 33.14 H new ATOM 0 HD3 ARG A 28 22.942 19.890 -1.502 1.00 33.14 H new ATOM 0 HE ARG A 28 20.838 19.645 0.388 1.00 13.03 H new ATOM 0 HH11 ARG A 28 23.116 22.062 -0.809 1.00 63.44 H new ATOM 0 HH12 ARG A 28 22.027 23.416 -0.488 1.00 63.44 H new ATOM 0 HH21 ARG A 28 19.445 21.389 0.798 1.00 51.12 H new ATOM 0 HH22 ARG A 28 19.957 23.037 0.418 1.00 51.12 H new ATOM 426 N ARG A 29 25.532 16.955 -2.280 1.00 60.42 N ATOM 427 CA ARG A 29 26.708 16.116 -2.080 1.00 34.12 C ATOM 428 C ARG A 29 26.473 15.111 -0.955 1.00 44.25 C ATOM 429 O ARG A 29 25.945 15.458 0.100 1.00 3.10 O ATOM 430 CB ARG A 29 27.928 16.980 -1.760 1.00 5.33 C ATOM 431 CG ARG A 29 29.253 16.299 -2.061 1.00 22.43 C ATOM 432 CD ARG A 29 30.401 16.955 -1.310 1.00 10.32 C ATOM 433 NE ARG A 29 30.630 18.328 -1.752 1.00 12.20 N ATOM 434 CZ ARG A 29 31.648 19.074 -1.337 1.00 71.21 C ATOM 435 NH1 ARG A 29 32.527 18.581 -0.475 1.00 53.31 N ATOM 436 NH2 ARG A 29 31.789 20.315 -1.785 1.00 71.22 N ATOM 0 H ARG A 29 25.724 17.957 -2.287 1.00 60.42 H new ATOM 0 HA ARG A 29 26.893 15.566 -3.003 1.00 34.12 H new ATOM 0 HB2 ARG A 29 27.867 17.906 -2.332 1.00 5.33 H new ATOM 0 HB3 ARG A 29 27.902 17.254 -0.705 1.00 5.33 H new ATOM 0 HG2 ARG A 29 29.192 15.246 -1.787 1.00 22.43 H new ATOM 0 HG3 ARG A 29 29.448 16.339 -3.133 1.00 22.43 H new ATOM 0 HD2 ARG A 29 30.186 16.949 -0.242 1.00 10.32 H new ATOM 0 HD3 ARG A 29 31.310 16.371 -1.455 1.00 10.32 H new ATOM 0 HE ARG A 29 29.972 18.737 -2.416 1.00 12.20 H new ATOM 0 HH11 ARG A 29 32.422 17.627 -0.129 1.00 53.31 H new ATOM 0 HH12 ARG A 29 33.308 19.156 -0.158 1.00 53.31 H new ATOM 0 HH21 ARG A 29 31.115 20.697 -2.449 1.00 71.22 H new ATOM 0 HH22 ARG A 29 32.571 20.887 -1.466 1.00 71.22 H new ATOM 450 N ASN A 30 26.870 13.865 -1.191 1.00 33.42 N ATOM 451 CA ASN A 30 26.702 12.809 -0.198 1.00 50.14 C ATOM 452 C ASN A 30 25.224 12.559 0.085 1.00 11.24 C ATOM 453 O ASN A 30 24.811 12.469 1.241 1.00 52.11 O ATOM 454 CB ASN A 30 27.426 13.179 1.098 1.00 42.14 C ATOM 455 CG ASN A 30 27.664 11.977 1.991 1.00 74.33 C ATOM 456 OD1 ASN A 30 27.049 10.925 1.811 1.00 12.35 O ATOM 457 ND2 ASN A 30 28.559 12.127 2.960 1.00 41.33 N ATOM 0 H ASN A 30 27.310 13.561 -2.060 1.00 33.42 H new ATOM 0 HA ASN A 30 27.136 11.894 -0.600 1.00 50.14 H new ATOM 0 HB2 ASN A 30 28.382 13.644 0.857 1.00 42.14 H new ATOM 0 HB3 ASN A 30 26.839 13.920 1.640 1.00 42.14 H new ATOM 0 HD21 ASN A 30 28.761 11.352 3.592 1.00 41.33 H new ATOM 0 HD22 ASN A 30 29.045 13.017 3.072 1.00 41.33 H new ATOM 464 N GLU A 31 24.433 12.448 -0.978 1.00 23.14 N ATOM 465 CA GLU A 31 23.001 12.209 -0.842 1.00 23.51 C ATOM 466 C GLU A 31 22.523 11.177 -1.859 1.00 64.45 C ATOM 467 O GLU A 31 23.208 10.898 -2.843 1.00 72.42 O ATOM 468 CB GLU A 31 22.224 13.515 -1.020 1.00 63.42 C ATOM 469 CG GLU A 31 20.925 13.562 -0.234 1.00 1.03 C ATOM 470 CD GLU A 31 21.146 13.466 1.263 1.00 34.35 C ATOM 471 OE1 GLU A 31 21.529 14.486 1.873 1.00 42.22 O ATOM 472 OE2 GLU A 31 20.935 12.371 1.825 1.00 21.35 O ATOM 0 H GLU A 31 24.759 12.520 -1.942 1.00 23.14 H new ATOM 0 HA GLU A 31 22.817 11.819 0.159 1.00 23.51 H new ATOM 0 HB2 GLU A 31 22.855 14.348 -0.712 1.00 63.42 H new ATOM 0 HB3 GLU A 31 22.004 13.656 -2.078 1.00 63.42 H new ATOM 0 HG2 GLU A 31 20.400 14.490 -0.461 1.00 1.03 H new ATOM 0 HG3 GLU A 31 20.280 12.744 -0.556 1.00 1.03 H new ATOM 479 N GLU A 32 21.344 10.614 -1.614 1.00 24.33 N ATOM 480 CA GLU A 32 20.776 9.612 -2.508 1.00 32.24 C ATOM 481 C GLU A 32 19.478 10.115 -3.134 1.00 22.15 C ATOM 482 O GLU A 32 18.824 11.010 -2.598 1.00 2.10 O ATOM 483 CB GLU A 32 20.517 8.308 -1.750 1.00 24.11 C ATOM 484 CG GLU A 32 21.695 7.348 -1.772 1.00 33.43 C ATOM 485 CD GLU A 32 21.705 6.410 -0.580 1.00 71.11 C ATOM 486 OE1 GLU A 32 20.632 5.866 -0.245 1.00 71.52 O ATOM 487 OE2 GLU A 32 22.785 6.221 0.017 1.00 32.45 O ATOM 0 H GLU A 32 20.764 10.835 -0.804 1.00 24.33 H new ATOM 0 HA GLU A 32 21.495 9.424 -3.305 1.00 32.24 H new ATOM 0 HB2 GLU A 32 20.269 8.542 -0.715 1.00 24.11 H new ATOM 0 HB3 GLU A 32 19.647 7.813 -2.182 1.00 24.11 H new ATOM 0 HG2 GLU A 32 21.664 6.762 -2.691 1.00 33.43 H new ATOM 0 HG3 GLU A 32 22.624 7.918 -1.789 1.00 33.43 H new ATOM 494 N TYR A 33 19.113 9.533 -4.270 1.00 55.34 N ATOM 495 CA TYR A 33 17.895 9.924 -4.972 1.00 23.23 C ATOM 496 C TYR A 33 17.260 8.725 -5.670 1.00 4.02 C ATOM 497 O TYR A 33 17.929 7.991 -6.398 1.00 62.31 O ATOM 498 CB TYR A 33 18.200 11.021 -5.993 1.00 72.33 C ATOM 499 CG TYR A 33 18.643 12.324 -5.368 1.00 43.13 C ATOM 500 CD1 TYR A 33 17.714 13.279 -4.974 1.00 44.51 C ATOM 501 CD2 TYR A 33 19.991 12.601 -5.173 1.00 33.21 C ATOM 502 CE1 TYR A 33 18.115 14.472 -4.403 1.00 52.13 C ATOM 503 CE2 TYR A 33 20.400 13.790 -4.601 1.00 41.05 C ATOM 504 CZ TYR A 33 19.459 14.722 -4.219 1.00 14.54 C ATOM 505 OH TYR A 33 19.862 15.909 -3.650 1.00 64.14 O ATOM 0 H TYR A 33 19.642 8.789 -4.725 1.00 55.34 H new ATOM 0 HA TYR A 33 17.189 10.309 -4.236 1.00 23.23 H new ATOM 0 HB2 TYR A 33 18.979 10.669 -6.670 1.00 72.33 H new ATOM 0 HB3 TYR A 33 17.310 11.201 -6.597 1.00 72.33 H new ATOM 0 HD1 TYR A 33 16.661 13.086 -5.116 1.00 44.51 H new ATOM 0 HD2 TYR A 33 20.731 11.874 -5.474 1.00 33.21 H new ATOM 0 HE1 TYR A 33 17.380 15.204 -4.103 1.00 52.13 H new ATOM 0 HE2 TYR A 33 21.451 13.988 -4.454 1.00 41.05 H new ATOM 0 HH TYR A 33 20.361 15.724 -2.827 1.00 64.14 H new ATOM 515 N CYS A 34 15.966 8.534 -5.443 1.00 14.15 N ATOM 516 CA CYS A 34 15.238 7.425 -6.049 1.00 23.41 C ATOM 517 C CYS A 34 15.076 7.637 -7.550 1.00 52.15 C ATOM 518 O CYS A 34 14.265 8.455 -7.989 1.00 23.34 O ATOM 519 CB CYS A 34 13.866 7.268 -5.392 1.00 61.43 C ATOM 520 SG CYS A 34 13.916 7.190 -3.587 1.00 24.15 S ATOM 0 H CYS A 34 15.399 9.133 -4.843 1.00 14.15 H new ATOM 0 HA CYS A 34 15.815 6.514 -5.890 1.00 23.41 H new ATOM 0 HB2 CYS A 34 13.234 8.104 -5.691 1.00 61.43 H new ATOM 0 HB3 CYS A 34 13.395 6.361 -5.771 1.00 61.43 H new ATOM 0 HG CYS A 34 12.708 7.059 -3.125 1.00 24.15 H new ATOM 526 N LEU A 35 15.852 6.898 -8.335 1.00 22.43 N ATOM 527 CA LEU A 35 15.796 7.006 -9.788 1.00 71.34 C ATOM 528 C LEU A 35 14.419 6.607 -10.311 1.00 44.42 C ATOM 529 O LEU A 35 13.867 5.579 -9.917 1.00 1.53 O ATOM 530 CB LEU A 35 16.871 6.125 -10.427 1.00 61.20 C ATOM 531 CG LEU A 35 17.432 6.613 -11.763 1.00 60.42 C ATOM 532 CD1 LEU A 35 16.338 6.653 -12.819 1.00 30.42 C ATOM 533 CD2 LEU A 35 18.072 7.984 -11.604 1.00 65.21 C ATOM 0 H LEU A 35 16.528 6.217 -7.989 1.00 22.43 H new ATOM 0 HA LEU A 35 15.980 8.046 -10.057 1.00 71.34 H new ATOM 0 HB2 LEU A 35 17.697 6.027 -9.723 1.00 61.20 H new ATOM 0 HB3 LEU A 35 16.456 5.128 -10.573 1.00 61.20 H new ATOM 0 HG LEU A 35 18.199 5.912 -12.091 1.00 60.42 H new ATOM 0 HD11 LEU A 35 16.756 7.003 -13.763 1.00 30.42 H new ATOM 0 HD12 LEU A 35 15.925 5.653 -12.953 1.00 30.42 H new ATOM 0 HD13 LEU A 35 15.548 7.332 -12.499 1.00 30.42 H new ATOM 0 HD21 LEU A 35 18.466 8.315 -12.565 1.00 65.21 H new ATOM 0 HD22 LEU A 35 17.325 8.696 -11.253 1.00 65.21 H new ATOM 0 HD23 LEU A 35 18.885 7.924 -10.880 1.00 65.21 H new ATOM 545 N LEU A 36 13.871 7.426 -11.202 1.00 63.14 N ATOM 546 CA LEU A 36 12.560 7.158 -11.782 1.00 54.20 C ATOM 547 C LEU A 36 12.654 7.006 -13.297 1.00 4.42 C ATOM 548 O LEU A 36 12.147 6.040 -13.867 1.00 13.52 O ATOM 549 CB LEU A 36 11.586 8.284 -11.431 1.00 14.22 C ATOM 550 CG LEU A 36 11.533 8.691 -9.958 1.00 35.43 C ATOM 551 CD1 LEU A 36 11.590 10.204 -9.819 1.00 64.01 C ATOM 552 CD2 LEU A 36 10.277 8.140 -9.298 1.00 13.44 C ATOM 0 H LEU A 36 14.314 8.281 -11.538 1.00 63.14 H new ATOM 0 HA LEU A 36 12.190 6.222 -11.364 1.00 54.20 H new ATOM 0 HB2 LEU A 36 11.849 9.162 -12.021 1.00 14.22 H new ATOM 0 HB3 LEU A 36 10.585 7.981 -11.740 1.00 14.22 H new ATOM 0 HG LEU A 36 12.401 8.268 -9.453 1.00 35.43 H new ATOM 0 HD11 LEU A 36 11.551 10.474 -8.764 1.00 64.01 H new ATOM 0 HD12 LEU A 36 12.518 10.575 -10.255 1.00 64.01 H new ATOM 0 HD13 LEU A 36 10.742 10.649 -10.339 1.00 64.01 H new ATOM 0 HD21 LEU A 36 10.255 8.439 -8.250 1.00 13.44 H new ATOM 0 HD22 LEU A 36 9.397 8.534 -9.806 1.00 13.44 H new ATOM 0 HD23 LEU A 36 10.278 7.052 -9.365 1.00 13.44 H new ATOM 564 N ASP A 37 13.309 7.965 -13.942 1.00 41.14 N ATOM 565 CA ASP A 37 13.474 7.937 -15.391 1.00 72.31 C ATOM 566 C ASP A 37 14.920 8.227 -15.779 1.00 62.34 C ATOM 567 O ASP A 37 15.460 9.285 -15.456 1.00 71.23 O ATOM 568 CB ASP A 37 12.542 8.953 -16.052 1.00 14.42 C ATOM 569 CG ASP A 37 11.683 8.333 -17.137 1.00 25.44 C ATOM 570 OD1 ASP A 37 12.247 7.899 -18.164 1.00 33.25 O ATOM 571 OD2 ASP A 37 10.449 8.280 -16.958 1.00 72.12 O ATOM 0 H ASP A 37 13.734 8.771 -13.485 1.00 41.14 H new ATOM 0 HA ASP A 37 13.216 6.938 -15.742 1.00 72.31 H new ATOM 0 HB2 ASP A 37 11.898 9.398 -15.293 1.00 14.42 H new ATOM 0 HB3 ASP A 37 13.135 9.761 -16.480 1.00 14.42 H new ATOM 576 N SER A 38 15.543 7.279 -16.473 1.00 53.35 N ATOM 577 CA SER A 38 16.928 7.431 -16.902 1.00 23.14 C ATOM 578 C SER A 38 17.071 7.141 -18.393 1.00 10.23 C ATOM 579 O SER A 38 17.374 6.017 -18.792 1.00 34.33 O ATOM 580 CB SER A 38 17.837 6.497 -16.100 1.00 1.21 C ATOM 581 OG SER A 38 17.239 5.224 -15.932 1.00 60.51 O ATOM 0 H SER A 38 15.110 6.398 -16.750 1.00 53.35 H new ATOM 0 HA SER A 38 17.227 8.463 -16.721 1.00 23.14 H new ATOM 0 HB2 SER A 38 18.794 6.388 -16.611 1.00 1.21 H new ATOM 0 HB3 SER A 38 18.045 6.936 -15.124 1.00 1.21 H new ATOM 0 HG SER A 38 16.988 4.863 -16.808 1.00 60.51 H new ATOM 587 N SER A 39 16.851 8.165 -19.212 1.00 35.42 N ATOM 588 CA SER A 39 16.950 8.020 -20.659 1.00 43.44 C ATOM 589 C SER A 39 18.361 8.345 -21.142 1.00 12.33 C ATOM 590 O SER A 39 18.913 7.647 -21.991 1.00 43.21 O ATOM 591 CB SER A 39 15.938 8.933 -21.355 1.00 23.10 C ATOM 592 OG SER A 39 15.867 8.651 -22.742 1.00 13.31 O ATOM 0 H SER A 39 16.603 9.103 -18.898 1.00 35.42 H new ATOM 0 HA SER A 39 16.727 6.983 -20.912 1.00 43.44 H new ATOM 0 HB2 SER A 39 14.955 8.802 -20.903 1.00 23.10 H new ATOM 0 HB3 SER A 39 16.221 9.975 -21.206 1.00 23.10 H new ATOM 0 HG SER A 39 15.213 9.246 -23.164 1.00 13.31 H new ATOM 598 N GLU A 40 18.937 9.410 -20.593 1.00 14.32 N ATOM 599 CA GLU A 40 20.282 9.829 -20.968 1.00 22.34 C ATOM 600 C GLU A 40 20.821 10.868 -19.989 1.00 42.21 C ATOM 601 O GLU A 40 20.065 11.461 -19.219 1.00 3.50 O ATOM 602 CB GLU A 40 20.286 10.399 -22.388 1.00 22.44 C ATOM 603 CG GLU A 40 21.660 10.406 -23.037 1.00 31.32 C ATOM 604 CD GLU A 40 21.601 10.702 -24.523 1.00 4.43 C ATOM 605 OE1 GLU A 40 20.845 11.615 -24.915 1.00 54.14 O ATOM 606 OE2 GLU A 40 22.312 10.022 -25.292 1.00 55.55 O ATOM 0 H GLU A 40 18.493 9.998 -19.887 1.00 14.32 H new ATOM 0 HA GLU A 40 20.930 8.953 -20.935 1.00 22.34 H new ATOM 0 HB2 GLU A 40 19.604 9.815 -23.007 1.00 22.44 H new ATOM 0 HB3 GLU A 40 19.900 11.418 -22.363 1.00 22.44 H new ATOM 0 HG2 GLU A 40 22.286 11.151 -22.546 1.00 31.32 H new ATOM 0 HG3 GLU A 40 22.136 9.438 -22.882 1.00 31.32 H new ATOM 613 N ILE A 41 22.132 11.082 -20.025 1.00 50.53 N ATOM 614 CA ILE A 41 22.772 12.050 -19.143 1.00 21.02 C ATOM 615 C ILE A 41 22.149 13.433 -19.300 1.00 4.14 C ATOM 616 O ILE A 41 22.281 14.288 -18.423 1.00 33.00 O ATOM 617 CB ILE A 41 24.285 12.146 -19.416 1.00 13.43 C ATOM 618 CG1 ILE A 41 24.930 13.168 -18.478 1.00 3.33 C ATOM 619 CG2 ILE A 41 24.538 12.519 -20.869 1.00 0.01 C ATOM 620 CD1 ILE A 41 26.438 13.219 -18.585 1.00 23.21 C ATOM 0 H ILE A 41 22.771 10.598 -20.655 1.00 50.53 H new ATOM 0 HA ILE A 41 22.617 11.698 -18.123 1.00 21.02 H new ATOM 0 HB ILE A 41 24.736 11.172 -19.227 1.00 13.43 H new ATOM 0 HG12 ILE A 41 24.525 14.156 -18.696 1.00 3.33 H new ATOM 0 HG13 ILE A 41 24.655 12.931 -17.450 1.00 3.33 H new ATOM 0 HG21 ILE A 41 25.612 12.583 -21.047 1.00 0.01 H new ATOM 0 HG22 ILE A 41 24.107 11.758 -21.520 1.00 0.01 H new ATOM 0 HG23 ILE A 41 24.077 13.483 -21.083 1.00 0.01 H new ATOM 0 HD11 ILE A 41 26.827 13.965 -17.892 1.00 23.21 H new ATOM 0 HD12 ILE A 41 26.854 12.242 -18.338 1.00 23.21 H new ATOM 0 HD13 ILE A 41 26.722 13.487 -19.603 1.00 23.21 H new ATOM 632 N HIS A 42 21.469 13.646 -20.422 1.00 4.23 N ATOM 633 CA HIS A 42 20.823 14.926 -20.693 1.00 24.51 C ATOM 634 C HIS A 42 19.894 15.319 -19.548 1.00 64.51 C ATOM 635 O HIS A 42 19.924 16.454 -19.074 1.00 40.33 O ATOM 636 CB HIS A 42 20.037 14.856 -22.002 1.00 41.44 C ATOM 637 CG HIS A 42 20.906 14.801 -23.221 1.00 4.12 C ATOM 638 ND1 HIS A 42 22.170 14.249 -23.219 1.00 72.54 N ATOM 639 CD2 HIS A 42 20.687 15.232 -24.485 1.00 61.21 C ATOM 640 CE1 HIS A 42 22.691 14.343 -24.430 1.00 13.33 C ATOM 641 NE2 HIS A 42 21.811 14.936 -25.217 1.00 32.22 N ATOM 0 H HIS A 42 21.351 12.950 -21.158 1.00 4.23 H new ATOM 0 HA HIS A 42 21.599 15.686 -20.784 1.00 24.51 H new ATOM 0 HB2 HIS A 42 19.395 13.975 -21.984 1.00 41.44 H new ATOM 0 HB3 HIS A 42 19.384 15.726 -22.071 1.00 41.44 H new ATOM 0 HD2 HIS A 42 19.795 15.718 -24.850 1.00 61.21 H new ATOM 0 HE1 HIS A 42 23.669 13.994 -24.726 1.00 13.33 H new ATOM 0 HE2 HIS A 42 21.945 15.141 -26.207 1.00 32.22 H new ATOM 649 N TRP A 43 19.071 14.373 -19.110 1.00 2.01 N ATOM 650 CA TRP A 43 18.133 14.621 -18.021 1.00 50.32 C ATOM 651 C TRP A 43 17.752 13.320 -17.324 1.00 12.23 C ATOM 652 O TRP A 43 17.344 12.355 -17.970 1.00 43.33 O ATOM 653 CB TRP A 43 16.878 15.317 -18.551 1.00 10.13 C ATOM 654 CG TRP A 43 16.131 14.504 -19.564 1.00 34.22 C ATOM 655 CD1 TRP A 43 16.253 14.573 -20.922 1.00 61.12 C ATOM 656 CD2 TRP A 43 15.144 13.501 -19.298 1.00 60.34 C ATOM 657 NE1 TRP A 43 15.402 13.673 -21.517 1.00 41.13 N ATOM 658 CE2 TRP A 43 14.711 13.002 -20.543 1.00 3.50 C ATOM 659 CE3 TRP A 43 14.586 12.973 -18.131 1.00 14.50 C ATOM 660 CZ2 TRP A 43 13.746 12.005 -20.650 1.00 63.41 C ATOM 661 CZ3 TRP A 43 13.628 11.983 -18.239 1.00 53.30 C ATOM 662 CH2 TRP A 43 13.216 11.507 -19.491 1.00 24.41 C ATOM 0 H TRP A 43 19.034 13.428 -19.492 1.00 2.01 H new ATOM 0 HA TRP A 43 18.621 15.271 -17.294 1.00 50.32 H new ATOM 0 HB2 TRP A 43 16.215 15.541 -17.715 1.00 10.13 H new ATOM 0 HB3 TRP A 43 17.161 16.270 -18.998 1.00 10.13 H new ATOM 0 HD1 TRP A 43 16.920 15.237 -21.451 1.00 61.12 H new ATOM 0 HE1 TRP A 43 15.301 13.528 -22.522 1.00 41.13 H new ATOM 0 HE3 TRP A 43 14.898 13.332 -17.161 1.00 14.50 H new ATOM 0 HZ2 TRP A 43 13.427 11.637 -21.614 1.00 63.41 H new ATOM 0 HZ3 TRP A 43 13.189 11.569 -17.343 1.00 53.30 H new ATOM 0 HH2 TRP A 43 12.466 10.732 -19.542 1.00 24.41 H new ATOM 673 N TRP A 44 17.887 13.301 -16.003 1.00 33.03 N ATOM 674 CA TRP A 44 17.556 12.117 -15.218 1.00 34.20 C ATOM 675 C TRP A 44 16.491 12.436 -14.174 1.00 72.43 C ATOM 676 O TRP A 44 16.701 13.271 -13.295 1.00 41.20 O ATOM 677 CB TRP A 44 18.808 11.566 -14.535 1.00 3.03 C ATOM 678 CG TRP A 44 19.482 10.479 -15.316 1.00 74.50 C ATOM 679 CD1 TRP A 44 19.431 10.289 -16.668 1.00 21.25 C ATOM 680 CD2 TRP A 44 20.304 9.430 -14.792 1.00 44.51 C ATOM 681 NE1 TRP A 44 20.173 9.186 -17.015 1.00 60.34 N ATOM 682 CE2 TRP A 44 20.720 8.642 -15.883 1.00 53.12 C ATOM 683 CE3 TRP A 44 20.733 9.083 -13.508 1.00 75.53 C ATOM 684 CZ2 TRP A 44 21.540 7.528 -15.727 1.00 2.24 C ATOM 685 CZ3 TRP A 44 21.547 7.977 -13.355 1.00 34.55 C ATOM 686 CH2 TRP A 44 21.944 7.210 -14.458 1.00 42.54 C ATOM 0 H TRP A 44 18.223 14.091 -15.453 1.00 33.03 H new ATOM 0 HA TRP A 44 17.159 11.362 -15.896 1.00 34.20 H new ATOM 0 HB2 TRP A 44 19.515 12.381 -14.376 1.00 3.03 H new ATOM 0 HB3 TRP A 44 18.537 11.182 -13.551 1.00 3.03 H new ATOM 0 HD1 TRP A 44 18.888 10.914 -17.362 1.00 21.25 H new ATOM 0 HE1 TRP A 44 20.297 8.830 -17.963 1.00 60.34 H new ATOM 0 HE3 TRP A 44 20.434 9.668 -12.651 1.00 75.53 H new ATOM 0 HZ2 TRP A 44 21.847 6.936 -16.577 1.00 2.24 H new ATOM 0 HZ3 TRP A 44 21.883 7.699 -12.367 1.00 34.55 H new ATOM 0 HH2 TRP A 44 22.581 6.351 -14.304 1.00 42.54 H new ATOM 697 N ARG A 45 15.348 11.765 -14.277 1.00 40.02 N ATOM 698 CA ARG A 45 14.250 11.978 -13.342 1.00 41.40 C ATOM 699 C ARG A 45 14.465 11.179 -12.060 1.00 11.20 C ATOM 700 O ARG A 45 14.502 9.949 -12.082 1.00 33.13 O ATOM 701 CB ARG A 45 12.920 11.583 -13.985 1.00 72.24 C ATOM 702 CG ARG A 45 11.907 12.715 -14.036 1.00 2.21 C ATOM 703 CD ARG A 45 10.485 12.198 -13.881 1.00 44.53 C ATOM 704 NE ARG A 45 9.515 13.286 -13.787 1.00 21.25 N ATOM 705 CZ ARG A 45 8.218 13.136 -14.029 1.00 14.22 C ATOM 706 NH1 ARG A 45 7.737 11.951 -14.378 1.00 24.30 N ATOM 707 NH2 ARG A 45 7.397 14.174 -13.921 1.00 64.34 N ATOM 0 H ARG A 45 15.159 11.069 -14.999 1.00 40.02 H new ATOM 0 HA ARG A 45 14.222 13.038 -13.089 1.00 41.40 H new ATOM 0 HB2 ARG A 45 13.107 11.229 -14.999 1.00 72.24 H new ATOM 0 HB3 ARG A 45 12.492 10.748 -13.430 1.00 72.24 H new ATOM 0 HG2 ARG A 45 12.122 13.433 -13.245 1.00 2.21 H new ATOM 0 HG3 ARG A 45 12.001 13.246 -14.983 1.00 2.21 H new ATOM 0 HD2 ARG A 45 10.236 11.562 -14.731 1.00 44.53 H new ATOM 0 HD3 ARG A 45 10.420 11.576 -12.988 1.00 44.53 H new ATOM 0 HE ARG A 45 9.852 14.211 -13.521 1.00 21.25 H new ATOM 0 HH11 ARG A 45 8.364 11.151 -14.461 1.00 24.30 H new ATOM 0 HH12 ARG A 45 6.740 11.840 -14.563 1.00 24.30 H new ATOM 0 HH21 ARG A 45 7.762 15.087 -13.652 1.00 64.34 H new ATOM 0 HH22 ARG A 45 6.401 14.058 -14.107 1.00 64.34 H new ATOM 721 N VAL A 46 14.607 11.887 -10.944 1.00 52.40 N ATOM 722 CA VAL A 46 14.817 11.245 -9.652 1.00 64.33 C ATOM 723 C VAL A 46 13.923 11.858 -8.581 1.00 52.00 C ATOM 724 O VAL A 46 13.332 12.918 -8.785 1.00 5.43 O ATOM 725 CB VAL A 46 16.287 11.355 -9.204 1.00 33.15 C ATOM 726 CG1 VAL A 46 17.214 10.790 -10.268 1.00 63.24 C ATOM 727 CG2 VAL A 46 16.640 12.801 -8.889 1.00 63.34 C ATOM 0 H VAL A 46 14.580 12.906 -10.909 1.00 52.40 H new ATOM 0 HA VAL A 46 14.560 10.193 -9.776 1.00 64.33 H new ATOM 0 HB VAL A 46 16.417 10.767 -8.296 1.00 33.15 H new ATOM 0 HG11 VAL A 46 18.248 10.877 -9.933 1.00 63.24 H new ATOM 0 HG12 VAL A 46 16.975 9.740 -10.439 1.00 63.24 H new ATOM 0 HG13 VAL A 46 17.085 11.347 -11.196 1.00 63.24 H new ATOM 0 HG21 VAL A 46 17.682 12.861 -8.574 1.00 63.34 H new ATOM 0 HG22 VAL A 46 16.494 13.413 -9.779 1.00 63.34 H new ATOM 0 HG23 VAL A 46 15.997 13.166 -8.088 1.00 63.34 H new ATOM 737 N GLN A 47 13.828 11.184 -7.440 1.00 22.44 N ATOM 738 CA GLN A 47 13.005 11.663 -6.336 1.00 31.13 C ATOM 739 C GLN A 47 13.816 11.743 -5.047 1.00 1.33 C ATOM 740 O GLN A 47 14.595 10.843 -4.735 1.00 24.31 O ATOM 741 CB GLN A 47 11.798 10.745 -6.136 1.00 73.12 C ATOM 742 CG GLN A 47 11.007 11.046 -4.873 1.00 73.14 C ATOM 743 CD GLN A 47 9.623 10.426 -4.890 1.00 24.04 C ATOM 744 OE1 GLN A 47 9.476 9.212 -5.035 1.00 41.23 O ATOM 745 NE2 GLN A 47 8.600 11.258 -4.739 1.00 54.34 N ATOM 0 H GLN A 47 14.311 10.305 -7.256 1.00 22.44 H new ATOM 0 HA GLN A 47 12.654 12.664 -6.586 1.00 31.13 H new ATOM 0 HB2 GLN A 47 11.137 10.834 -6.998 1.00 73.12 H new ATOM 0 HB3 GLN A 47 12.140 9.711 -6.102 1.00 73.12 H new ATOM 0 HG2 GLN A 47 11.556 10.675 -4.008 1.00 73.14 H new ATOM 0 HG3 GLN A 47 10.916 12.126 -4.754 1.00 73.14 H new ATOM 0 HE21 GLN A 47 8.768 12.257 -4.622 1.00 54.34 H new ATOM 0 HE22 GLN A 47 7.646 10.898 -4.740 1.00 54.34 H new ATOM 754 N ASP A 48 13.628 12.827 -4.302 1.00 12.01 N ATOM 755 CA ASP A 48 14.342 13.025 -3.046 1.00 34.13 C ATOM 756 C ASP A 48 13.702 12.213 -1.924 1.00 24.33 C ATOM 757 O ASP A 48 12.785 11.426 -2.159 1.00 21.04 O ATOM 758 CB ASP A 48 14.359 14.508 -2.672 1.00 51.15 C ATOM 759 CG ASP A 48 12.969 15.114 -2.642 1.00 64.34 C ATOM 760 OD1 ASP A 48 11.996 14.357 -2.445 1.00 32.51 O ATOM 761 OD2 ASP A 48 12.856 16.345 -2.815 1.00 55.05 O ATOM 0 H ASP A 48 12.987 13.582 -4.546 1.00 12.01 H new ATOM 0 HA ASP A 48 15.367 12.681 -3.181 1.00 34.13 H new ATOM 0 HB2 ASP A 48 14.825 14.628 -1.694 1.00 51.15 H new ATOM 0 HB3 ASP A 48 14.974 15.053 -3.388 1.00 51.15 H new ATOM 766 N ARG A 49 14.194 12.408 -0.705 1.00 10.24 N ATOM 767 CA ARG A 49 13.672 11.692 0.453 1.00 4.24 C ATOM 768 C ARG A 49 12.598 12.512 1.161 1.00 52.40 C ATOM 769 O ARG A 49 12.342 12.325 2.350 1.00 63.14 O ATOM 770 CB ARG A 49 14.804 11.364 1.429 1.00 0.32 C ATOM 771 CG ARG A 49 15.854 10.429 0.852 1.00 3.50 C ATOM 772 CD ARG A 49 15.432 8.974 0.975 1.00 62.32 C ATOM 773 NE ARG A 49 15.311 8.555 2.369 1.00 61.34 N ATOM 774 CZ ARG A 49 16.351 8.251 3.138 1.00 72.14 C ATOM 775 NH1 ARG A 49 17.582 8.320 2.651 1.00 62.20 N ATOM 776 NH2 ARG A 49 16.160 7.878 4.397 1.00 72.24 N ATOM 0 H ARG A 49 14.953 13.056 -0.494 1.00 10.24 H new ATOM 0 HA ARG A 49 13.223 10.763 0.102 1.00 4.24 H new ATOM 0 HB2 ARG A 49 15.286 12.292 1.738 1.00 0.32 H new ATOM 0 HB3 ARG A 49 14.380 10.911 2.325 1.00 0.32 H new ATOM 0 HG2 ARG A 49 16.023 10.673 -0.197 1.00 3.50 H new ATOM 0 HG3 ARG A 49 16.801 10.579 1.370 1.00 3.50 H new ATOM 0 HD2 ARG A 49 14.478 8.829 0.469 1.00 62.32 H new ATOM 0 HD3 ARG A 49 16.161 8.341 0.468 1.00 62.32 H new ATOM 0 HE ARG A 49 14.377 8.492 2.774 1.00 61.34 H new ATOM 0 HH11 ARG A 49 17.732 8.607 1.684 1.00 62.20 H new ATOM 0 HH12 ARG A 49 18.379 8.086 3.243 1.00 62.20 H new ATOM 0 HH21 ARG A 49 15.214 7.824 4.775 1.00 72.24 H new ATOM 0 HH22 ARG A 49 16.959 7.645 4.987 1.00 72.24 H new ATOM 790 N ASN A 50 11.972 13.422 0.421 1.00 2.32 N ATOM 791 CA ASN A 50 10.926 14.272 0.978 1.00 10.11 C ATOM 792 C ASN A 50 9.589 14.010 0.291 1.00 21.12 C ATOM 793 O ASN A 50 8.527 14.230 0.872 1.00 22.10 O ATOM 794 CB ASN A 50 11.306 15.747 0.832 1.00 24.12 C ATOM 795 CG ASN A 50 12.686 16.046 1.386 1.00 20.34 C ATOM 796 OD1 ASN A 50 12.824 16.550 2.501 1.00 35.22 O ATOM 797 ND2 ASN A 50 13.716 15.735 0.608 1.00 41.30 N ATOM 0 H ASN A 50 12.171 13.589 -0.565 1.00 2.32 H new ATOM 0 HA ASN A 50 10.824 14.033 2.037 1.00 10.11 H new ATOM 0 HB2 ASN A 50 11.272 16.026 -0.221 1.00 24.12 H new ATOM 0 HB3 ASN A 50 10.569 16.362 1.348 1.00 24.12 H new ATOM 0 HD21 ASN A 50 14.668 15.912 0.927 1.00 41.30 H new ATOM 0 HD22 ASN A 50 13.555 15.319 -0.309 1.00 41.30 H new ATOM 804 N GLY A 51 9.650 13.537 -0.950 1.00 42.31 N ATOM 805 CA GLY A 51 8.438 13.252 -1.696 1.00 3.12 C ATOM 806 C GLY A 51 8.308 14.109 -2.939 1.00 55.22 C ATOM 807 O GLY A 51 7.207 14.299 -3.458 1.00 40.22 O ATOM 0 H GLY A 51 10.517 13.346 -1.452 1.00 42.31 H new ATOM 0 HA2 GLY A 51 8.429 12.200 -1.981 1.00 3.12 H new ATOM 0 HA3 GLY A 51 7.573 13.415 -1.054 1.00 3.12 H new ATOM 811 N HIS A 52 9.433 14.630 -3.418 1.00 72.13 N ATOM 812 CA HIS A 52 9.439 15.473 -4.609 1.00 20.04 C ATOM 813 C HIS A 52 10.292 14.851 -5.710 1.00 42.42 C ATOM 814 O HIS A 52 11.347 14.278 -5.441 1.00 44.43 O ATOM 815 CB HIS A 52 9.963 16.869 -4.268 1.00 74.51 C ATOM 816 CG HIS A 52 9.369 17.443 -3.019 1.00 32.33 C ATOM 817 ND1 HIS A 52 10.078 17.586 -1.845 1.00 63.11 N ATOM 818 CD2 HIS A 52 8.125 17.913 -2.765 1.00 21.45 C ATOM 819 CE1 HIS A 52 9.296 18.117 -0.922 1.00 43.34 C ATOM 820 NE2 HIS A 52 8.106 18.326 -1.455 1.00 73.40 N ATOM 0 H HIS A 52 10.352 14.484 -3.000 1.00 72.13 H new ATOM 0 HA HIS A 52 8.414 15.556 -4.971 1.00 20.04 H new ATOM 0 HB2 HIS A 52 11.047 16.825 -4.158 1.00 74.51 H new ATOM 0 HB3 HIS A 52 9.754 17.540 -5.101 1.00 74.51 H new ATOM 0 HD2 HIS A 52 7.301 17.955 -3.462 1.00 21.45 H new ATOM 0 HE1 HIS A 52 9.581 18.342 0.095 1.00 43.34 H new ATOM 0 HE2 HIS A 52 7.303 18.729 -0.972 1.00 73.40 H new ATOM 828 N GLU A 53 9.827 14.969 -6.950 1.00 31.31 N ATOM 829 CA GLU A 53 10.547 14.416 -8.091 1.00 44.40 C ATOM 830 C GLU A 53 10.903 15.512 -9.092 1.00 73.11 C ATOM 831 O GLU A 53 10.091 16.389 -9.383 1.00 53.03 O ATOM 832 CB GLU A 53 9.709 13.336 -8.777 1.00 63.41 C ATOM 833 CG GLU A 53 9.027 12.386 -7.806 1.00 44.33 C ATOM 834 CD GLU A 53 8.698 11.046 -8.435 1.00 15.50 C ATOM 835 OE1 GLU A 53 8.392 11.017 -9.645 1.00 42.44 O ATOM 836 OE2 GLU A 53 8.745 10.027 -7.716 1.00 23.53 O ATOM 0 H GLU A 53 8.956 15.442 -7.190 1.00 31.31 H new ATOM 0 HA GLU A 53 11.471 13.969 -7.723 1.00 44.40 H new ATOM 0 HB2 GLU A 53 8.951 13.815 -9.396 1.00 63.41 H new ATOM 0 HB3 GLU A 53 10.350 12.761 -9.445 1.00 63.41 H new ATOM 0 HG2 GLU A 53 9.674 12.229 -6.943 1.00 44.33 H new ATOM 0 HG3 GLU A 53 8.110 12.845 -7.438 1.00 44.33 H new ATOM 843 N GLY A 54 12.124 15.454 -9.615 1.00 53.14 N ATOM 844 CA GLY A 54 12.566 16.447 -10.577 1.00 63.54 C ATOM 845 C GLY A 54 13.641 15.916 -11.505 1.00 71.33 C ATOM 846 O GLY A 54 14.025 14.749 -11.419 1.00 33.02 O ATOM 0 H GLY A 54 12.814 14.738 -9.390 1.00 53.14 H new ATOM 0 HA2 GLY A 54 11.713 16.781 -11.168 1.00 63.54 H new ATOM 0 HA3 GLY A 54 12.947 17.319 -10.046 1.00 63.54 H new ATOM 850 N TYR A 55 14.127 16.773 -12.396 1.00 73.44 N ATOM 851 CA TYR A 55 15.161 16.382 -13.347 1.00 54.15 C ATOM 852 C TYR A 55 16.542 16.804 -12.854 1.00 75.45 C ATOM 853 O TYR A 55 16.698 17.856 -12.236 1.00 3.33 O ATOM 854 CB TYR A 55 14.884 17.004 -14.717 1.00 42.13 C ATOM 855 CG TYR A 55 13.601 16.520 -15.354 1.00 63.35 C ATOM 856 CD1 TYR A 55 12.368 16.998 -14.929 1.00 31.41 C ATOM 857 CD2 TYR A 55 13.622 15.584 -16.381 1.00 24.30 C ATOM 858 CE1 TYR A 55 11.193 16.558 -15.507 1.00 61.55 C ATOM 859 CE2 TYR A 55 12.453 15.139 -16.966 1.00 52.13 C ATOM 860 CZ TYR A 55 11.241 15.629 -16.526 1.00 72.31 C ATOM 861 OH TYR A 55 10.073 15.187 -17.106 1.00 4.34 O ATOM 0 H TYR A 55 13.822 17.743 -12.480 1.00 73.44 H new ATOM 0 HA TYR A 55 15.144 15.296 -13.438 1.00 54.15 H new ATOM 0 HB2 TYR A 55 14.841 18.088 -14.612 1.00 42.13 H new ATOM 0 HB3 TYR A 55 15.717 16.781 -15.383 1.00 42.13 H new ATOM 0 HD1 TYR A 55 12.327 17.726 -14.133 1.00 31.41 H new ATOM 0 HD2 TYR A 55 14.569 15.198 -16.728 1.00 24.30 H new ATOM 0 HE1 TYR A 55 10.243 16.939 -15.163 1.00 61.55 H new ATOM 0 HE2 TYR A 55 12.487 14.411 -17.763 1.00 52.13 H new ATOM 0 HH TYR A 55 10.282 14.536 -17.808 1.00 4.34 H new ATOM 871 N VAL A 56 17.541 15.973 -13.134 1.00 44.51 N ATOM 872 CA VAL A 56 18.910 16.259 -12.722 1.00 3.13 C ATOM 873 C VAL A 56 19.916 15.580 -13.645 1.00 35.11 C ATOM 874 O VAL A 56 19.618 14.580 -14.299 1.00 23.11 O ATOM 875 CB VAL A 56 19.168 15.800 -11.274 1.00 53.11 C ATOM 876 CG1 VAL A 56 18.553 16.779 -10.286 1.00 15.21 C ATOM 877 CG2 VAL A 56 18.623 14.397 -11.056 1.00 20.41 C ATOM 0 H VAL A 56 17.428 15.097 -13.644 1.00 44.51 H new ATOM 0 HA VAL A 56 19.039 17.340 -12.782 1.00 3.13 H new ATOM 0 HB VAL A 56 20.244 15.778 -11.104 1.00 53.11 H new ATOM 0 HG11 VAL A 56 18.745 16.438 -9.269 1.00 15.21 H new ATOM 0 HG12 VAL A 56 18.995 17.765 -10.428 1.00 15.21 H new ATOM 0 HG13 VAL A 56 17.477 16.836 -10.452 1.00 15.21 H new ATOM 0 HG21 VAL A 56 18.814 14.088 -10.028 1.00 20.41 H new ATOM 0 HG22 VAL A 56 17.549 14.391 -11.244 1.00 20.41 H new ATOM 0 HG23 VAL A 56 19.115 13.705 -11.740 1.00 20.41 H new ATOM 887 N PRO A 57 21.136 16.134 -13.701 1.00 32.11 N ATOM 888 CA PRO A 57 22.211 15.597 -14.540 1.00 41.23 C ATOM 889 C PRO A 57 22.734 14.260 -14.027 1.00 64.04 C ATOM 890 O PRO A 57 23.031 14.112 -12.842 1.00 14.02 O ATOM 891 CB PRO A 57 23.301 16.668 -14.449 1.00 14.41 C ATOM 892 CG PRO A 57 23.050 17.354 -13.150 1.00 52.03 C ATOM 893 CD PRO A 57 21.560 17.327 -12.949 1.00 30.55 C ATOM 0 HA PRO A 57 21.873 15.398 -15.557 1.00 41.23 H new ATOM 0 HB2 PRO A 57 24.296 16.224 -14.476 1.00 14.41 H new ATOM 0 HB3 PRO A 57 23.241 17.366 -15.284 1.00 14.41 H new ATOM 0 HG2 PRO A 57 23.563 16.845 -12.334 1.00 52.03 H new ATOM 0 HG3 PRO A 57 23.423 18.378 -13.171 1.00 52.03 H new ATOM 0 HD2 PRO A 57 21.298 17.251 -11.894 1.00 30.55 H new ATOM 0 HD3 PRO A 57 21.087 18.232 -13.330 1.00 30.55 H new ATOM 901 N SER A 58 22.846 13.289 -14.928 1.00 23.31 N ATOM 902 CA SER A 58 23.331 11.962 -14.565 1.00 40.12 C ATOM 903 C SER A 58 24.835 11.985 -14.309 1.00 31.40 C ATOM 904 O SER A 58 25.351 11.207 -13.506 1.00 73.12 O ATOM 905 CB SER A 58 23.006 10.957 -15.672 1.00 33.13 C ATOM 906 OG SER A 58 24.082 10.840 -16.587 1.00 35.44 O ATOM 0 H SER A 58 22.608 13.396 -15.914 1.00 23.31 H new ATOM 0 HA SER A 58 22.828 11.656 -13.647 1.00 40.12 H new ATOM 0 HB2 SER A 58 22.791 9.983 -15.232 1.00 33.13 H new ATOM 0 HB3 SER A 58 22.107 11.273 -16.201 1.00 33.13 H new ATOM 0 HG SER A 58 23.920 10.082 -17.187 1.00 35.44 H new ATOM 912 N SER A 59 25.533 12.882 -14.998 1.00 12.14 N ATOM 913 CA SER A 59 26.978 13.005 -14.849 1.00 22.44 C ATOM 914 C SER A 59 27.355 13.258 -13.392 1.00 34.11 C ATOM 915 O SER A 59 28.475 12.970 -12.969 1.00 74.23 O ATOM 916 CB SER A 59 27.509 14.138 -15.729 1.00 14.03 C ATOM 917 OG SER A 59 28.429 14.948 -15.018 1.00 22.42 O ATOM 0 H SER A 59 25.121 13.534 -15.665 1.00 12.14 H new ATOM 0 HA SER A 59 27.432 12.066 -15.166 1.00 22.44 H new ATOM 0 HB2 SER A 59 27.994 13.720 -16.611 1.00 14.03 H new ATOM 0 HB3 SER A 59 26.678 14.749 -16.081 1.00 14.03 H new ATOM 0 HG SER A 59 27.940 15.620 -14.499 1.00 22.42 H new ATOM 923 N TYR A 60 26.411 13.799 -12.629 1.00 71.53 N ATOM 924 CA TYR A 60 26.643 14.094 -11.220 1.00 72.43 C ATOM 925 C TYR A 60 25.901 13.104 -10.327 1.00 62.32 C ATOM 926 O TYR A 60 25.600 13.398 -9.170 1.00 11.33 O ATOM 927 CB TYR A 60 26.199 15.521 -10.897 1.00 11.12 C ATOM 928 CG TYR A 60 26.936 16.578 -11.688 1.00 14.31 C ATOM 929 CD1 TYR A 60 26.728 16.723 -13.054 1.00 30.21 C ATOM 930 CD2 TYR A 60 27.839 17.434 -11.069 1.00 31.55 C ATOM 931 CE1 TYR A 60 27.400 17.687 -13.781 1.00 34.25 C ATOM 932 CE2 TYR A 60 28.514 18.401 -11.787 1.00 11.40 C ATOM 933 CZ TYR A 60 28.291 18.524 -13.143 1.00 22.34 C ATOM 934 OH TYR A 60 28.961 19.486 -13.863 1.00 1.23 O ATOM 0 H TYR A 60 25.478 14.042 -12.963 1.00 71.53 H new ATOM 0 HA TYR A 60 27.712 14.000 -11.026 1.00 72.43 H new ATOM 0 HB2 TYR A 60 25.130 15.613 -11.091 1.00 11.12 H new ATOM 0 HB3 TYR A 60 26.347 15.706 -9.833 1.00 11.12 H new ATOM 0 HD1 TYR A 60 26.029 16.071 -13.556 1.00 30.21 H new ATOM 0 HD2 TYR A 60 28.016 17.341 -10.008 1.00 31.55 H new ATOM 0 HE1 TYR A 60 27.228 17.784 -14.843 1.00 34.25 H new ATOM 0 HE2 TYR A 60 29.213 19.058 -11.290 1.00 11.40 H new ATOM 0 HH TYR A 60 29.550 19.992 -13.265 1.00 1.23 H new ATOM 944 N LEU A 61 25.610 11.928 -10.873 1.00 22.01 N ATOM 945 CA LEU A 61 24.904 10.892 -10.127 1.00 23.01 C ATOM 946 C LEU A 61 25.485 9.514 -10.427 1.00 31.34 C ATOM 947 O LEU A 61 25.714 9.163 -11.584 1.00 55.13 O ATOM 948 CB LEU A 61 23.414 10.915 -10.469 1.00 54.43 C ATOM 949 CG LEU A 61 22.586 12.008 -9.791 1.00 43.35 C ATOM 950 CD1 LEU A 61 21.249 12.180 -10.496 1.00 24.23 C ATOM 951 CD2 LEU A 61 22.378 11.684 -8.319 1.00 61.14 C ATOM 0 H LEU A 61 25.852 11.668 -11.829 1.00 22.01 H new ATOM 0 HA LEU A 61 25.029 11.095 -9.064 1.00 23.01 H new ATOM 0 HB2 LEU A 61 23.311 11.026 -11.548 1.00 54.43 H new ATOM 0 HB3 LEU A 61 22.986 9.947 -10.206 1.00 54.43 H new ATOM 0 HG LEU A 61 23.133 12.948 -9.861 1.00 43.35 H new ATOM 0 HD11 LEU A 61 20.674 12.962 -10.000 1.00 24.23 H new ATOM 0 HD12 LEU A 61 21.419 12.459 -11.536 1.00 24.23 H new ATOM 0 HD13 LEU A 61 20.695 11.242 -10.458 1.00 24.23 H new ATOM 0 HD21 LEU A 61 21.787 12.472 -7.853 1.00 61.14 H new ATOM 0 HD22 LEU A 61 21.852 10.734 -8.226 1.00 61.14 H new ATOM 0 HD23 LEU A 61 23.345 11.614 -7.822 1.00 61.14 H new ATOM 963 N VAL A 62 25.720 8.735 -9.375 1.00 74.44 N ATOM 964 CA VAL A 62 26.270 7.393 -9.526 1.00 2.02 C ATOM 965 C VAL A 62 25.251 6.332 -9.126 1.00 54.53 C ATOM 966 O VAL A 62 24.565 6.467 -8.113 1.00 43.32 O ATOM 967 CB VAL A 62 27.543 7.211 -8.678 1.00 63.42 C ATOM 968 CG1 VAL A 62 27.196 7.157 -7.198 1.00 64.22 C ATOM 969 CG2 VAL A 62 28.292 5.957 -9.105 1.00 33.22 C ATOM 0 H VAL A 62 25.538 9.010 -8.410 1.00 74.44 H new ATOM 0 HA VAL A 62 26.522 7.271 -10.579 1.00 2.02 H new ATOM 0 HB VAL A 62 28.194 8.070 -8.842 1.00 63.42 H new ATOM 0 HG11 VAL A 62 28.108 7.028 -6.615 1.00 64.22 H new ATOM 0 HG12 VAL A 62 26.706 8.086 -6.905 1.00 64.22 H new ATOM 0 HG13 VAL A 62 26.525 6.318 -7.012 1.00 64.22 H new ATOM 0 HG21 VAL A 62 29.189 5.844 -8.496 1.00 33.22 H new ATOM 0 HG22 VAL A 62 27.650 5.086 -8.971 1.00 33.22 H new ATOM 0 HG23 VAL A 62 28.575 6.042 -10.154 1.00 33.22 H new ATOM 979 N GLU A 63 25.157 5.277 -9.930 1.00 15.44 N ATOM 980 CA GLU A 63 24.220 4.193 -9.659 1.00 55.31 C ATOM 981 C GLU A 63 24.559 3.496 -8.345 1.00 13.23 C ATOM 982 O GLU A 63 25.616 2.880 -8.210 1.00 1.00 O ATOM 983 CB GLU A 63 24.233 3.180 -10.805 1.00 64.41 C ATOM 984 CG GLU A 63 22.895 3.040 -11.511 1.00 31.05 C ATOM 985 CD GLU A 63 23.033 2.513 -12.926 1.00 24.35 C ATOM 986 OE1 GLU A 63 23.021 1.277 -13.103 1.00 24.24 O ATOM 987 OE2 GLU A 63 23.153 3.337 -13.856 1.00 4.20 O ATOM 0 H GLU A 63 25.717 5.150 -10.773 1.00 15.44 H new ATOM 0 HA GLU A 63 23.222 4.623 -9.575 1.00 55.31 H new ATOM 0 HB2 GLU A 63 24.988 3.477 -11.532 1.00 64.41 H new ATOM 0 HB3 GLU A 63 24.532 2.207 -10.415 1.00 64.41 H new ATOM 0 HG2 GLU A 63 22.255 2.369 -10.938 1.00 31.05 H new ATOM 0 HG3 GLU A 63 22.398 4.010 -11.536 1.00 31.05 H new ATOM 994 N LYS A 64 23.654 3.599 -7.377 1.00 21.31 N ATOM 995 CA LYS A 64 23.855 2.979 -6.073 1.00 33.34 C ATOM 996 C LYS A 64 23.717 1.462 -6.164 1.00 12.30 C ATOM 997 O LYS A 64 22.609 0.927 -6.124 1.00 22.24 O ATOM 998 CB LYS A 64 22.849 3.533 -5.061 1.00 74.13 C ATOM 999 CG LYS A 64 23.151 3.141 -3.625 1.00 50.13 C ATOM 1000 CD LYS A 64 22.419 1.870 -3.228 1.00 63.13 C ATOM 1001 CE LYS A 64 22.636 1.538 -1.760 1.00 33.31 C ATOM 1002 NZ LYS A 64 22.420 0.091 -1.481 1.00 23.11 N ATOM 0 H LYS A 64 22.774 4.106 -7.471 1.00 21.31 H new ATOM 0 HA LYS A 64 24.865 3.215 -5.739 1.00 33.34 H new ATOM 0 HB2 LYS A 64 22.832 4.620 -5.136 1.00 74.13 H new ATOM 0 HB3 LYS A 64 21.851 3.180 -5.323 1.00 74.13 H new ATOM 0 HG2 LYS A 64 24.225 2.996 -3.505 1.00 50.13 H new ATOM 0 HG3 LYS A 64 22.862 3.952 -2.957 1.00 50.13 H new ATOM 0 HD2 LYS A 64 21.353 1.987 -3.422 1.00 63.13 H new ATOM 0 HD3 LYS A 64 22.766 1.041 -3.845 1.00 63.13 H new ATOM 0 HE2 LYS A 64 23.649 1.816 -1.471 1.00 33.31 H new ATOM 0 HE3 LYS A 64 21.956 2.131 -1.149 1.00 33.31 H new ATOM 0 HZ1 LYS A 64 22.577 -0.095 -0.470 1.00 23.11 H new ATOM 0 HZ2 LYS A 64 21.445 -0.169 -1.733 1.00 23.11 H new ATOM 0 HZ3 LYS A 64 23.086 -0.474 -2.045 1.00 23.11 H new