USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=14 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 27:sc= 0.18 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 K(o=0,f=-0.88) USER MOD Single : A 19 THR OG1 : rot -122:sc= -0.011 USER MOD Single : A 20 ASN : amide:sc= 0.39 K(o=0.39,f=-3!) USER MOD Single : A 23 GLN : amide:sc= -0.0807 X(o=-0.081,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.034) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 50:sc= 0.226 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.33) USER MOD Single : A 47 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.82) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 100:sc= 3.07 USER MOD Single : A 59 SER OG : rot 180:sc= -1.24! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0.214 (180deg=0.167) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.532 1.798 -9.047 1.00 0.13 N ATOM 104 CA THR A 9 16.952 2.057 -8.848 1.00 44.21 C ATOM 105 C THR A 9 17.176 3.408 -8.179 1.00 5.24 C ATOM 106 O THR A 9 16.378 4.331 -8.338 1.00 14.34 O ATOM 107 CB THR A 9 17.721 2.024 -10.182 1.00 44.33 C ATOM 108 OG1 THR A 9 17.396 0.832 -10.906 1.00 52.52 O ATOM 109 CG2 THR A 9 19.223 2.084 -9.943 1.00 54.33 C ATOM 0 HA THR A 9 17.330 1.266 -8.199 1.00 44.21 H new ATOM 0 HB THR A 9 17.427 2.896 -10.767 1.00 44.33 H new ATOM 0 HG1 THR A 9 16.501 0.527 -10.649 1.00 52.52 H new ATOM 0 HG21 THR A 9 19.745 2.059 -10.900 1.00 54.33 H new ATOM 0 HG22 THR A 9 19.471 3.006 -9.418 1.00 54.33 H new ATOM 0 HG23 THR A 9 19.530 1.229 -9.340 1.00 54.33 H new ATOM 117 N VAL A 10 18.269 3.518 -7.429 1.00 40.45 N ATOM 118 CA VAL A 10 18.599 4.758 -6.737 1.00 3.20 C ATOM 119 C VAL A 10 19.917 5.335 -7.241 1.00 43.03 C ATOM 120 O VAL A 10 20.769 4.609 -7.754 1.00 44.41 O ATOM 121 CB VAL A 10 18.695 4.543 -5.215 1.00 30.51 C ATOM 122 CG1 VAL A 10 18.723 5.878 -4.487 1.00 25.20 C ATOM 123 CG2 VAL A 10 17.539 3.684 -4.725 1.00 72.42 C ATOM 0 H VAL A 10 18.940 2.763 -7.286 1.00 40.45 H new ATOM 0 HA VAL A 10 17.793 5.461 -6.947 1.00 3.20 H new ATOM 0 HB VAL A 10 19.626 4.019 -4.998 1.00 30.51 H new ATOM 0 HG11 VAL A 10 18.791 5.705 -3.413 1.00 25.20 H new ATOM 0 HG12 VAL A 10 19.587 6.454 -4.817 1.00 25.20 H new ATOM 0 HG13 VAL A 10 17.811 6.432 -4.708 1.00 25.20 H new ATOM 0 HG21 VAL A 10 17.622 3.542 -3.648 1.00 72.42 H new ATOM 0 HG22 VAL A 10 16.595 4.179 -4.954 1.00 72.42 H new ATOM 0 HG23 VAL A 10 17.570 2.714 -5.222 1.00 72.42 H new ATOM 133 N VAL A 11 20.079 6.646 -7.092 1.00 30.02 N ATOM 134 CA VAL A 11 21.294 7.321 -7.531 1.00 4.35 C ATOM 135 C VAL A 11 21.888 8.167 -6.410 1.00 1.42 C ATOM 136 O VAL A 11 21.160 8.763 -5.616 1.00 55.50 O ATOM 137 CB VAL A 11 21.027 8.221 -8.752 1.00 11.24 C ATOM 138 CG1 VAL A 11 20.603 7.385 -9.949 1.00 34.50 C ATOM 139 CG2 VAL A 11 19.973 9.267 -8.421 1.00 51.24 C ATOM 0 H VAL A 11 19.384 7.262 -6.670 1.00 30.02 H new ATOM 0 HA VAL A 11 22.004 6.543 -7.811 1.00 4.35 H new ATOM 0 HB VAL A 11 21.951 8.738 -9.010 1.00 11.24 H new ATOM 0 HG11 VAL A 11 20.419 8.038 -10.802 1.00 34.50 H new ATOM 0 HG12 VAL A 11 21.394 6.678 -10.198 1.00 34.50 H new ATOM 0 HG13 VAL A 11 19.691 6.839 -9.707 1.00 34.50 H new ATOM 0 HG21 VAL A 11 19.796 9.895 -9.295 1.00 51.24 H new ATOM 0 HG22 VAL A 11 19.045 8.771 -8.137 1.00 51.24 H new ATOM 0 HG23 VAL A 11 20.322 9.886 -7.594 1.00 51.24 H new ATOM 149 N ILE A 12 23.215 8.216 -6.352 1.00 34.54 N ATOM 150 CA ILE A 12 23.906 8.990 -5.329 1.00 3.21 C ATOM 151 C ILE A 12 24.439 10.301 -5.898 1.00 61.43 C ATOM 152 O ILE A 12 25.038 10.324 -6.973 1.00 40.11 O ATOM 153 CB ILE A 12 25.075 8.197 -4.716 1.00 65.22 C ATOM 154 CG1 ILE A 12 24.669 6.739 -4.493 1.00 22.42 C ATOM 155 CG2 ILE A 12 25.521 8.835 -3.409 1.00 32.43 C ATOM 156 CD1 ILE A 12 25.757 5.898 -3.861 1.00 12.41 C ATOM 0 H ILE A 12 23.832 7.729 -7.001 1.00 34.54 H new ATOM 0 HA ILE A 12 23.175 9.205 -4.549 1.00 3.21 H new ATOM 0 HB ILE A 12 25.914 8.218 -5.412 1.00 65.22 H new ATOM 0 HG12 ILE A 12 23.784 6.710 -3.858 1.00 22.42 H new ATOM 0 HG13 ILE A 12 24.390 6.298 -5.450 1.00 22.42 H new ATOM 0 HG21 ILE A 12 26.348 8.263 -2.988 1.00 32.43 H new ATOM 0 HG22 ILE A 12 25.846 9.858 -3.596 1.00 32.43 H new ATOM 0 HG23 ILE A 12 24.689 8.842 -2.705 1.00 32.43 H new ATOM 0 HD11 ILE A 12 25.399 4.876 -3.733 1.00 12.41 H new ATOM 0 HD12 ILE A 12 26.636 5.896 -4.505 1.00 12.41 H new ATOM 0 HD13 ILE A 12 26.021 6.315 -2.889 1.00 12.41 H new ATOM 168 N ALA A 13 24.218 11.390 -5.169 1.00 61.42 N ATOM 169 CA ALA A 13 24.679 12.704 -5.599 1.00 63.45 C ATOM 170 C ALA A 13 26.176 12.866 -5.359 1.00 64.34 C ATOM 171 O ALA A 13 26.666 12.644 -4.251 1.00 34.40 O ATOM 172 CB ALA A 13 23.906 13.797 -4.878 1.00 34.04 C ATOM 0 H ALA A 13 23.722 11.388 -4.278 1.00 61.42 H new ATOM 0 HA ALA A 13 24.497 12.792 -6.670 1.00 63.45 H new ATOM 0 HB1 ALA A 13 24.261 14.773 -5.209 1.00 34.04 H new ATOM 0 HB2 ALA A 13 22.844 13.701 -5.104 1.00 34.04 H new ATOM 0 HB3 ALA A 13 24.058 13.701 -3.803 1.00 34.04 H new ATOM 178 N LEU A 14 26.900 13.253 -6.404 1.00 53.31 N ATOM 179 CA LEU A 14 28.343 13.445 -6.307 1.00 73.40 C ATOM 180 C LEU A 14 28.677 14.884 -5.928 1.00 72.14 C ATOM 181 O LEU A 14 29.703 15.149 -5.302 1.00 11.52 O ATOM 182 CB LEU A 14 29.015 13.085 -7.633 1.00 60.20 C ATOM 183 CG LEU A 14 28.464 11.853 -8.352 1.00 42.14 C ATOM 184 CD1 LEU A 14 29.196 11.631 -9.667 1.00 52.11 C ATOM 185 CD2 LEU A 14 28.575 10.623 -7.464 1.00 31.40 C ATOM 0 H LEU A 14 26.511 13.440 -7.328 1.00 53.31 H new ATOM 0 HA LEU A 14 28.721 12.787 -5.525 1.00 73.40 H new ATOM 0 HB2 LEU A 14 28.931 13.940 -8.304 1.00 60.20 H new ATOM 0 HB3 LEU A 14 30.078 12.928 -7.448 1.00 60.20 H new ATOM 0 HG LEU A 14 27.410 12.025 -8.571 1.00 42.14 H new ATOM 0 HD11 LEU A 14 28.791 10.750 -10.165 1.00 52.11 H new ATOM 0 HD12 LEU A 14 29.065 12.503 -10.308 1.00 52.11 H new ATOM 0 HD13 LEU A 14 30.258 11.481 -9.472 1.00 52.11 H new ATOM 0 HD21 LEU A 14 28.178 9.756 -7.992 1.00 31.40 H new ATOM 0 HD22 LEU A 14 29.621 10.448 -7.214 1.00 31.40 H new ATOM 0 HD23 LEU A 14 28.005 10.782 -6.549 1.00 31.40 H new ATOM 197 N TYR A 15 27.803 15.809 -6.311 1.00 23.42 N ATOM 198 CA TYR A 15 28.006 17.221 -6.012 1.00 14.33 C ATOM 199 C TYR A 15 26.670 17.938 -5.838 1.00 41.14 C ATOM 200 O TYR A 15 25.660 17.541 -6.419 1.00 53.20 O ATOM 201 CB TYR A 15 28.815 17.889 -7.125 1.00 12.12 C ATOM 202 CG TYR A 15 30.107 17.173 -7.447 1.00 3.43 C ATOM 203 CD1 TYR A 15 31.280 17.475 -6.766 1.00 0.42 C ATOM 204 CD2 TYR A 15 30.155 16.194 -8.431 1.00 41.14 C ATOM 205 CE1 TYR A 15 32.463 16.824 -7.057 1.00 41.53 C ATOM 206 CE2 TYR A 15 31.333 15.537 -8.729 1.00 25.04 C ATOM 207 CZ TYR A 15 32.485 15.856 -8.039 1.00 53.02 C ATOM 208 OH TYR A 15 33.661 15.204 -8.332 1.00 11.35 O ATOM 0 H TYR A 15 26.948 15.606 -6.829 1.00 23.42 H new ATOM 0 HA TYR A 15 28.561 17.292 -5.077 1.00 14.33 H new ATOM 0 HB2 TYR A 15 28.204 17.941 -8.026 1.00 12.12 H new ATOM 0 HB3 TYR A 15 29.041 18.915 -6.833 1.00 12.12 H new ATOM 0 HD1 TYR A 15 31.266 18.232 -5.996 1.00 0.42 H new ATOM 0 HD2 TYR A 15 29.255 15.942 -8.973 1.00 41.14 H new ATOM 0 HE1 TYR A 15 33.366 17.072 -6.518 1.00 41.53 H new ATOM 0 HE2 TYR A 15 31.352 14.778 -9.497 1.00 25.04 H new ATOM 0 HH TYR A 15 33.504 14.552 -9.046 1.00 11.35 H new ATOM 218 N ASP A 16 26.674 18.997 -5.036 1.00 24.32 N ATOM 219 CA ASP A 16 25.465 19.772 -4.786 1.00 35.30 C ATOM 220 C ASP A 16 25.009 20.491 -6.052 1.00 2.44 C ATOM 221 O ASP A 16 25.409 21.627 -6.310 1.00 34.01 O ATOM 222 CB ASP A 16 25.705 20.785 -3.666 1.00 52.53 C ATOM 223 CG ASP A 16 26.924 21.650 -3.920 1.00 21.12 C ATOM 224 OD1 ASP A 16 28.054 21.126 -3.825 1.00 32.45 O ATOM 225 OD2 ASP A 16 26.749 22.851 -4.214 1.00 72.44 O ATOM 0 H ASP A 16 27.502 19.338 -4.548 1.00 24.32 H new ATOM 0 HA ASP A 16 24.678 19.083 -4.478 1.00 35.30 H new ATOM 0 HB2 ASP A 16 24.827 21.422 -3.561 1.00 52.53 H new ATOM 0 HB3 ASP A 16 25.829 20.255 -2.721 1.00 52.53 H new ATOM 230 N TYR A 17 24.172 19.823 -6.837 1.00 65.14 N ATOM 231 CA TYR A 17 23.666 20.397 -8.078 1.00 54.11 C ATOM 232 C TYR A 17 22.602 21.453 -7.795 1.00 13.31 C ATOM 233 O TYR A 17 21.860 21.355 -6.818 1.00 2.54 O ATOM 234 CB TYR A 17 23.086 19.300 -8.973 1.00 12.32 C ATOM 235 CG TYR A 17 22.385 19.830 -10.203 1.00 53.12 C ATOM 236 CD1 TYR A 17 23.102 20.427 -11.232 1.00 43.54 C ATOM 237 CD2 TYR A 17 21.005 19.734 -10.336 1.00 41.54 C ATOM 238 CE1 TYR A 17 22.466 20.914 -12.358 1.00 61.32 C ATOM 239 CE2 TYR A 17 20.361 20.216 -11.459 1.00 53.52 C ATOM 240 CZ TYR A 17 21.095 20.805 -12.467 1.00 44.42 C ATOM 241 OH TYR A 17 20.457 21.288 -13.587 1.00 1.14 O ATOM 0 H TYR A 17 23.829 18.883 -6.636 1.00 65.14 H new ATOM 0 HA TYR A 17 24.499 20.875 -8.594 1.00 54.11 H new ATOM 0 HB2 TYR A 17 23.890 18.632 -9.283 1.00 12.32 H new ATOM 0 HB3 TYR A 17 22.382 18.703 -8.393 1.00 12.32 H new ATOM 0 HD1 TYR A 17 24.176 20.512 -11.151 1.00 43.54 H new ATOM 0 HD2 TYR A 17 20.426 19.275 -9.548 1.00 41.54 H new ATOM 0 HE1 TYR A 17 23.039 21.377 -13.148 1.00 61.32 H new ATOM 0 HE2 TYR A 17 19.288 20.132 -11.547 1.00 53.52 H new ATOM 0 HH TYR A 17 19.493 21.132 -13.507 1.00 1.14 H new ATOM 251 N GLN A 18 22.534 22.462 -8.658 1.00 72.30 N ATOM 252 CA GLN A 18 21.561 23.537 -8.501 1.00 60.53 C ATOM 253 C GLN A 18 20.961 23.928 -9.847 1.00 74.15 C ATOM 254 O GLN A 18 21.681 24.271 -10.785 1.00 43.22 O ATOM 255 CB GLN A 18 22.216 24.755 -7.848 1.00 64.32 C ATOM 256 CG GLN A 18 22.237 24.694 -6.329 1.00 72.55 C ATOM 257 CD GLN A 18 22.879 25.917 -5.705 1.00 33.53 C ATOM 258 OE1 GLN A 18 23.533 26.705 -6.387 1.00 42.40 O ATOM 259 NE2 GLN A 18 22.694 26.081 -4.400 1.00 23.11 N ATOM 0 H GLN A 18 23.141 22.557 -9.472 1.00 72.30 H new ATOM 0 HA GLN A 18 20.759 23.176 -7.857 1.00 60.53 H new ATOM 0 HB2 GLN A 18 23.239 24.847 -8.214 1.00 64.32 H new ATOM 0 HB3 GLN A 18 21.684 25.654 -8.160 1.00 64.32 H new ATOM 0 HG2 GLN A 18 21.216 24.595 -5.959 1.00 72.55 H new ATOM 0 HG3 GLN A 18 22.778 23.803 -6.012 1.00 72.55 H new ATOM 0 HE21 GLN A 18 22.144 25.402 -3.874 1.00 23.11 H new ATOM 0 HE22 GLN A 18 23.102 26.886 -3.924 1.00 23.11 H new ATOM 268 N THR A 19 19.635 23.874 -9.937 1.00 62.21 N ATOM 269 CA THR A 19 18.938 24.221 -11.169 1.00 34.13 C ATOM 270 C THR A 19 18.586 25.704 -11.202 1.00 72.21 C ATOM 271 O THR A 19 18.579 26.373 -10.170 1.00 20.11 O ATOM 272 CB THR A 19 17.648 23.395 -11.336 1.00 1.12 C ATOM 273 OG1 THR A 19 16.936 23.830 -12.499 1.00 75.44 O ATOM 274 CG2 THR A 19 16.757 23.529 -10.110 1.00 62.20 C ATOM 0 H THR A 19 19.023 23.593 -9.171 1.00 62.21 H new ATOM 0 HA THR A 19 19.616 23.993 -11.991 1.00 34.13 H new ATOM 0 HB THR A 19 17.926 22.347 -11.451 1.00 1.12 H new ATOM 0 HG1 THR A 19 16.037 24.123 -12.242 1.00 75.44 H new ATOM 0 HG21 THR A 19 15.853 22.937 -10.251 1.00 62.20 H new ATOM 0 HG22 THR A 19 17.292 23.170 -9.231 1.00 62.20 H new ATOM 0 HG23 THR A 19 16.487 24.576 -9.969 1.00 62.20 H new ATOM 282 N ASN A 20 18.293 26.211 -12.395 1.00 44.13 N ATOM 283 CA ASN A 20 17.940 27.616 -12.563 1.00 1.14 C ATOM 284 C ASN A 20 16.425 27.797 -12.585 1.00 4.32 C ATOM 285 O ASN A 20 15.913 28.867 -12.256 1.00 0.24 O ATOM 286 CB ASN A 20 18.550 28.166 -13.854 1.00 13.54 C ATOM 287 CG ASN A 20 18.084 27.409 -15.082 1.00 31.32 C ATOM 288 OD1 ASN A 20 18.335 26.211 -15.218 1.00 54.11 O ATOM 289 ND2 ASN A 20 17.402 28.106 -15.983 1.00 61.45 N ATOM 0 H ASN A 20 18.293 25.670 -13.260 1.00 44.13 H new ATOM 0 HA ASN A 20 18.342 28.170 -11.715 1.00 1.14 H new ATOM 0 HB2 ASN A 20 18.286 29.219 -13.958 1.00 13.54 H new ATOM 0 HB3 ASN A 20 19.637 28.115 -13.790 1.00 13.54 H new ATOM 0 HD21 ASN A 20 17.063 27.650 -16.830 1.00 61.45 H new ATOM 0 HD22 ASN A 20 17.217 29.097 -15.828 1.00 61.45 H new ATOM 296 N ASP A 21 15.715 26.745 -12.974 1.00 71.52 N ATOM 297 CA ASP A 21 14.259 26.786 -13.038 1.00 14.12 C ATOM 298 C ASP A 21 13.645 25.694 -12.167 1.00 3.01 C ATOM 299 O ASP A 21 14.294 24.708 -11.816 1.00 51.03 O ATOM 300 CB ASP A 21 13.785 26.629 -14.484 1.00 23.44 C ATOM 301 CG ASP A 21 13.745 27.949 -15.227 1.00 12.43 C ATOM 302 OD1 ASP A 21 14.563 28.837 -14.905 1.00 34.03 O ATOM 303 OD2 ASP A 21 12.896 28.095 -16.131 1.00 1.22 O ATOM 0 H ASP A 21 16.124 25.852 -13.250 1.00 71.52 H new ATOM 0 HA ASP A 21 13.931 27.754 -12.660 1.00 14.12 H new ATOM 0 HB2 ASP A 21 14.448 25.941 -15.008 1.00 23.44 H new ATOM 0 HB3 ASP A 21 12.791 26.181 -14.491 1.00 23.44 H new ATOM 308 N PRO A 22 12.365 25.872 -11.807 1.00 44.35 N ATOM 309 CA PRO A 22 11.637 24.913 -10.973 1.00 34.14 C ATOM 310 C PRO A 22 11.351 23.606 -11.705 1.00 41.43 C ATOM 311 O PRO A 22 11.026 22.595 -11.084 1.00 71.03 O ATOM 312 CB PRO A 22 10.330 25.643 -10.652 1.00 32.42 C ATOM 313 CG PRO A 22 10.148 26.605 -11.775 1.00 33.43 C ATOM 314 CD PRO A 22 11.531 27.024 -12.189 1.00 50.11 C ATOM 0 HA PRO A 22 12.209 24.625 -10.091 1.00 34.14 H new ATOM 0 HB2 PRO A 22 9.493 24.947 -10.587 1.00 32.42 H new ATOM 0 HB3 PRO A 22 10.390 26.159 -9.694 1.00 32.42 H new ATOM 0 HG2 PRO A 22 9.616 26.140 -12.605 1.00 33.43 H new ATOM 0 HG3 PRO A 22 9.557 27.465 -11.460 1.00 33.43 H new ATOM 0 HD2 PRO A 22 11.587 27.223 -13.259 1.00 50.11 H new ATOM 0 HD3 PRO A 22 11.845 27.934 -11.678 1.00 50.11 H new ATOM 322 N GLN A 23 11.475 23.636 -13.028 1.00 65.12 N ATOM 323 CA GLN A 23 11.230 22.453 -13.845 1.00 22.14 C ATOM 324 C GLN A 23 12.153 21.309 -13.437 1.00 13.05 C ATOM 325 O GLN A 23 11.759 20.144 -13.460 1.00 72.40 O ATOM 326 CB GLN A 23 11.428 22.780 -15.326 1.00 32.42 C ATOM 327 CG GLN A 23 10.632 21.881 -16.258 1.00 54.15 C ATOM 328 CD GLN A 23 9.275 22.460 -16.609 1.00 31.30 C ATOM 329 OE1 GLN A 23 8.238 21.895 -16.261 1.00 74.33 O ATOM 330 NE2 GLN A 23 9.275 23.593 -17.301 1.00 63.23 N ATOM 0 H GLN A 23 11.743 24.466 -13.557 1.00 65.12 H new ATOM 0 HA GLN A 23 10.199 22.139 -13.684 1.00 22.14 H new ATOM 0 HB2 GLN A 23 11.142 23.817 -15.502 1.00 32.42 H new ATOM 0 HB3 GLN A 23 12.487 22.696 -15.570 1.00 32.42 H new ATOM 0 HG2 GLN A 23 11.201 21.718 -17.173 1.00 54.15 H new ATOM 0 HG3 GLN A 23 10.497 20.906 -15.789 1.00 54.15 H new ATOM 0 HE21 GLN A 23 10.158 24.027 -17.569 1.00 63.23 H new ATOM 0 HE22 GLN A 23 8.392 24.029 -17.565 1.00 63.23 H new ATOM 339 N GLU A 24 13.382 21.651 -13.063 1.00 40.03 N ATOM 340 CA GLU A 24 14.360 20.651 -12.651 1.00 44.44 C ATOM 341 C GLU A 24 14.561 20.678 -11.139 1.00 24.31 C ATOM 342 O GLU A 24 14.121 21.606 -10.459 1.00 23.43 O ATOM 343 CB GLU A 24 15.696 20.891 -13.359 1.00 30.13 C ATOM 344 CG GLU A 24 15.550 21.276 -14.821 1.00 53.22 C ATOM 345 CD GLU A 24 16.628 20.666 -15.696 1.00 11.32 C ATOM 346 OE1 GLU A 24 17.648 20.203 -15.143 1.00 52.41 O ATOM 347 OE2 GLU A 24 16.452 20.652 -16.932 1.00 3.01 O ATOM 0 H GLU A 24 13.724 22.612 -13.037 1.00 40.03 H new ATOM 0 HA GLU A 24 13.979 19.669 -12.932 1.00 44.44 H new ATOM 0 HB2 GLU A 24 16.238 21.680 -12.837 1.00 30.13 H new ATOM 0 HB3 GLU A 24 16.302 19.988 -13.289 1.00 30.13 H new ATOM 0 HG2 GLU A 24 14.572 20.957 -15.181 1.00 53.22 H new ATOM 0 HG3 GLU A 24 15.585 22.362 -14.912 1.00 53.22 H new ATOM 354 N LEU A 25 15.228 19.653 -10.619 1.00 4.31 N ATOM 355 CA LEU A 25 15.488 19.557 -9.187 1.00 1.34 C ATOM 356 C LEU A 25 16.970 19.759 -8.887 1.00 41.32 C ATOM 357 O LEU A 25 17.790 19.859 -9.800 1.00 32.44 O ATOM 358 CB LEU A 25 15.029 18.198 -8.655 1.00 44.31 C ATOM 359 CG LEU A 25 13.927 18.229 -7.596 1.00 2.24 C ATOM 360 CD1 LEU A 25 12.743 19.050 -8.081 1.00 51.43 C ATOM 361 CD2 LEU A 25 13.489 16.816 -7.241 1.00 31.14 C ATOM 0 H LEU A 25 15.598 18.877 -11.168 1.00 4.31 H new ATOM 0 HA LEU A 25 14.925 20.345 -8.687 1.00 1.34 H new ATOM 0 HB2 LEU A 25 14.680 17.600 -9.497 1.00 44.31 H new ATOM 0 HB3 LEU A 25 15.894 17.684 -8.236 1.00 44.31 H new ATOM 0 HG LEU A 25 14.326 18.701 -6.698 1.00 2.24 H new ATOM 0 HD11 LEU A 25 11.969 19.060 -7.314 1.00 51.43 H new ATOM 0 HD12 LEU A 25 13.067 20.071 -8.284 1.00 51.43 H new ATOM 0 HD13 LEU A 25 12.343 18.608 -8.994 1.00 51.43 H new ATOM 0 HD21 LEU A 25 12.704 16.857 -6.486 1.00 31.14 H new ATOM 0 HD22 LEU A 25 13.109 16.318 -8.133 1.00 31.14 H new ATOM 0 HD23 LEU A 25 14.340 16.259 -6.850 1.00 31.14 H new ATOM 373 N ALA A 26 17.306 19.817 -7.603 1.00 4.12 N ATOM 374 CA ALA A 26 18.690 20.003 -7.183 1.00 71.30 C ATOM 375 C ALA A 26 19.208 18.775 -6.441 1.00 51.14 C ATOM 376 O ALA A 26 18.437 18.037 -5.827 1.00 33.11 O ATOM 377 CB ALA A 26 18.814 21.242 -6.309 1.00 24.44 C ATOM 0 H ALA A 26 16.639 19.738 -6.835 1.00 4.12 H new ATOM 0 HA ALA A 26 19.300 20.139 -8.076 1.00 71.30 H new ATOM 0 HB1 ALA A 26 19.852 21.369 -6.003 1.00 24.44 H new ATOM 0 HB2 ALA A 26 18.492 22.118 -6.872 1.00 24.44 H new ATOM 0 HB3 ALA A 26 18.186 21.128 -5.425 1.00 24.44 H new ATOM 383 N LEU A 27 20.518 18.562 -6.503 1.00 74.40 N ATOM 384 CA LEU A 27 21.139 17.422 -5.837 1.00 42.03 C ATOM 385 C LEU A 27 21.944 17.873 -4.623 1.00 43.50 C ATOM 386 O LEU A 27 22.393 19.018 -4.554 1.00 33.13 O ATOM 387 CB LEU A 27 22.045 16.668 -6.813 1.00 10.34 C ATOM 388 CG LEU A 27 21.389 16.198 -8.111 1.00 50.45 C ATOM 389 CD1 LEU A 27 22.425 16.074 -9.218 1.00 53.11 C ATOM 390 CD2 LEU A 27 20.672 14.873 -7.898 1.00 3.11 C ATOM 0 H LEU A 27 21.170 19.163 -7.007 1.00 74.40 H new ATOM 0 HA LEU A 27 20.347 16.755 -5.497 1.00 42.03 H new ATOM 0 HB2 LEU A 27 22.887 17.312 -7.067 1.00 10.34 H new ATOM 0 HB3 LEU A 27 22.453 15.797 -6.300 1.00 10.34 H new ATOM 0 HG LEU A 27 20.652 16.942 -8.413 1.00 50.45 H new ATOM 0 HD11 LEU A 27 21.940 15.738 -10.134 1.00 53.11 H new ATOM 0 HD12 LEU A 27 22.892 17.044 -9.389 1.00 53.11 H new ATOM 0 HD13 LEU A 27 23.186 15.351 -8.925 1.00 53.11 H new ATOM 0 HD21 LEU A 27 20.211 14.554 -8.833 1.00 3.11 H new ATOM 0 HD22 LEU A 27 21.389 14.120 -7.572 1.00 3.11 H new ATOM 0 HD23 LEU A 27 19.902 14.995 -7.137 1.00 3.11 H new ATOM 402 N ARG A 28 22.126 16.966 -3.669 1.00 15.20 N ATOM 403 CA ARG A 28 22.878 17.271 -2.458 1.00 33.22 C ATOM 404 C ARG A 28 24.016 16.274 -2.259 1.00 72.15 C ATOM 405 O ARG A 28 23.802 15.062 -2.276 1.00 62.54 O ATOM 406 CB ARG A 28 21.953 17.254 -1.240 1.00 14.04 C ATOM 407 CG ARG A 28 22.449 18.110 -0.086 1.00 1.11 C ATOM 408 CD ARG A 28 23.410 17.340 0.806 1.00 31.32 C ATOM 409 NE ARG A 28 23.477 17.902 2.153 1.00 75.44 N ATOM 410 CZ ARG A 28 24.160 18.999 2.458 1.00 55.32 C ATOM 411 NH1 ARG A 28 24.830 19.650 1.517 1.00 23.21 N ATOM 412 NH2 ARG A 28 24.172 19.449 3.706 1.00 30.22 N ATOM 0 H ARG A 28 21.763 16.014 -3.711 1.00 15.20 H new ATOM 0 HA ARG A 28 23.306 18.268 -2.568 1.00 33.22 H new ATOM 0 HB2 ARG A 28 20.965 17.602 -1.540 1.00 14.04 H new ATOM 0 HB3 ARG A 28 21.838 16.226 -0.896 1.00 14.04 H new ATOM 0 HG2 ARG A 28 22.946 18.998 -0.477 1.00 1.11 H new ATOM 0 HG3 ARG A 28 21.600 18.454 0.504 1.00 1.11 H new ATOM 0 HD2 ARG A 28 23.095 16.298 0.863 1.00 31.32 H new ATOM 0 HD3 ARG A 28 24.404 17.349 0.360 1.00 31.32 H new ATOM 0 HE ARG A 28 22.971 17.426 2.900 1.00 75.44 H new ATOM 0 HH11 ARG A 28 24.822 19.308 0.556 1.00 23.21 H new ATOM 0 HH12 ARG A 28 25.354 20.492 1.754 1.00 23.21 H new ATOM 0 HH21 ARG A 28 23.656 18.952 4.432 1.00 30.22 H new ATOM 0 HH22 ARG A 28 24.697 20.292 3.939 1.00 30.22 H new ATOM 426 N ARG A 29 25.225 16.793 -2.072 1.00 53.32 N ATOM 427 CA ARG A 29 26.396 15.949 -1.873 1.00 4.14 C ATOM 428 C ARG A 29 26.145 14.921 -0.773 1.00 51.22 C ATOM 429 O ARG A 29 25.616 15.250 0.288 1.00 72.43 O ATOM 430 CB ARG A 29 27.613 16.805 -1.517 1.00 3.04 C ATOM 431 CG ARG A 29 28.938 16.180 -1.923 1.00 73.31 C ATOM 432 CD ARG A 29 30.054 17.212 -1.959 1.00 15.21 C ATOM 433 NE ARG A 29 31.334 16.621 -2.339 1.00 10.43 N ATOM 434 CZ ARG A 29 32.484 17.287 -2.323 1.00 73.54 C ATOM 435 NH1 ARG A 29 32.513 18.558 -1.949 1.00 32.04 N ATOM 436 NH2 ARG A 29 33.608 16.680 -2.683 1.00 34.30 N ATOM 0 H ARG A 29 25.419 17.794 -2.054 1.00 53.32 H new ATOM 0 HA ARG A 29 26.593 15.418 -2.805 1.00 4.14 H new ATOM 0 HB2 ARG A 29 27.516 17.777 -2.000 1.00 3.04 H new ATOM 0 HB3 ARG A 29 27.619 16.983 -0.442 1.00 3.04 H new ATOM 0 HG2 ARG A 29 29.197 15.387 -1.222 1.00 73.31 H new ATOM 0 HG3 ARG A 29 28.837 15.717 -2.905 1.00 73.31 H new ATOM 0 HD2 ARG A 29 29.795 18.001 -2.665 1.00 15.21 H new ATOM 0 HD3 ARG A 29 30.147 17.679 -0.979 1.00 15.21 H new ATOM 0 HE ARG A 29 31.346 15.644 -2.633 1.00 10.43 H new ATOM 0 HH11 ARG A 29 31.651 19.028 -1.672 1.00 32.04 H new ATOM 0 HH12 ARG A 29 33.397 19.066 -1.938 1.00 32.04 H new ATOM 0 HH21 ARG A 29 33.589 15.702 -2.972 1.00 34.30 H new ATOM 0 HH22 ARG A 29 34.490 17.192 -2.671 1.00 34.30 H new ATOM 450 N ASN A 30 26.528 13.676 -1.036 1.00 31.12 N ATOM 451 CA ASN A 30 26.343 12.600 -0.069 1.00 71.53 C ATOM 452 C ASN A 30 24.861 12.360 0.201 1.00 34.10 C ATOM 453 O ASN A 30 24.424 12.348 1.351 1.00 11.43 O ATOM 454 CB ASN A 30 27.064 12.931 1.239 1.00 63.13 C ATOM 455 CG ASN A 30 27.319 11.700 2.087 1.00 74.33 C ATOM 456 OD1 ASN A 30 26.599 11.437 3.051 1.00 64.13 O ATOM 457 ND2 ASN A 30 28.347 10.938 1.730 1.00 14.24 N ATOM 0 H ASN A 30 26.968 13.387 -1.910 1.00 31.12 H new ATOM 0 HA ASN A 30 26.770 11.690 -0.491 1.00 71.53 H new ATOM 0 HB2 ASN A 30 28.013 13.417 1.014 1.00 63.13 H new ATOM 0 HB3 ASN A 30 26.468 13.644 1.809 1.00 63.13 H new ATOM 0 HD21 ASN A 30 28.567 10.096 2.262 1.00 14.24 H new ATOM 0 HD22 ASN A 30 28.916 11.195 0.924 1.00 14.24 H new ATOM 464 N GLU A 31 24.093 12.169 -0.867 1.00 61.54 N ATOM 465 CA GLU A 31 22.660 11.929 -0.745 1.00 11.43 C ATOM 466 C GLU A 31 22.177 10.958 -1.817 1.00 73.44 C ATOM 467 O GLU A 31 22.832 10.773 -2.842 1.00 40.44 O ATOM 468 CB GLU A 31 21.890 13.247 -0.850 1.00 55.14 C ATOM 469 CG GLU A 31 20.559 13.235 -0.116 1.00 4.20 C ATOM 470 CD GLU A 31 20.714 12.959 1.367 1.00 62.11 C ATOM 471 OE1 GLU A 31 20.930 13.924 2.130 1.00 31.21 O ATOM 472 OE2 GLU A 31 20.620 11.779 1.764 1.00 22.12 O ATOM 0 H GLU A 31 24.439 12.176 -1.826 1.00 61.54 H new ATOM 0 HA GLU A 31 22.474 11.484 0.233 1.00 11.43 H new ATOM 0 HB2 GLU A 31 22.508 14.052 -0.451 1.00 55.14 H new ATOM 0 HB3 GLU A 31 21.713 13.472 -1.902 1.00 55.14 H new ATOM 0 HG2 GLU A 31 20.064 14.196 -0.253 1.00 4.20 H new ATOM 0 HG3 GLU A 31 19.912 12.477 -0.557 1.00 4.20 H new ATOM 479 N GLU A 32 21.026 10.339 -1.572 1.00 20.40 N ATOM 480 CA GLU A 32 20.456 9.385 -2.516 1.00 70.21 C ATOM 481 C GLU A 32 19.164 9.925 -3.123 1.00 3.42 C ATOM 482 O GLU A 32 18.483 10.755 -2.521 1.00 13.44 O ATOM 483 CB GLU A 32 20.186 8.047 -1.824 1.00 3.22 C ATOM 484 CG GLU A 32 21.360 7.084 -1.882 1.00 2.20 C ATOM 485 CD GLU A 32 21.410 6.152 -0.687 1.00 72.10 C ATOM 486 OE1 GLU A 32 20.457 5.365 -0.510 1.00 34.42 O ATOM 487 OE2 GLU A 32 22.401 6.210 0.071 1.00 74.35 O ATOM 0 H GLU A 32 20.471 10.481 -0.728 1.00 20.40 H new ATOM 0 HA GLU A 32 21.178 9.232 -3.318 1.00 70.21 H new ATOM 0 HB2 GLU A 32 19.930 8.232 -0.781 1.00 3.22 H new ATOM 0 HB3 GLU A 32 19.318 7.577 -2.287 1.00 3.22 H new ATOM 0 HG2 GLU A 32 21.296 6.494 -2.796 1.00 2.20 H new ATOM 0 HG3 GLU A 32 22.289 7.652 -1.934 1.00 2.20 H new ATOM 494 N TYR A 33 18.835 9.450 -4.318 1.00 71.53 N ATOM 495 CA TYR A 33 17.627 9.887 -5.009 1.00 22.43 C ATOM 496 C TYR A 33 16.974 8.725 -5.752 1.00 0.32 C ATOM 497 O TYR A 33 17.628 8.018 -6.519 1.00 23.01 O ATOM 498 CB TYR A 33 17.955 11.014 -5.989 1.00 13.21 C ATOM 499 CG TYR A 33 18.364 12.304 -5.314 1.00 35.23 C ATOM 500 CD1 TYR A 33 19.694 12.558 -5.005 1.00 10.13 C ATOM 501 CD2 TYR A 33 17.419 13.269 -4.986 1.00 31.34 C ATOM 502 CE1 TYR A 33 20.072 13.735 -4.387 1.00 74.41 C ATOM 503 CE2 TYR A 33 17.788 14.449 -4.369 1.00 73.22 C ATOM 504 CZ TYR A 33 19.115 14.677 -4.072 1.00 21.14 C ATOM 505 OH TYR A 33 19.487 15.851 -3.458 1.00 24.33 O ATOM 0 H TYR A 33 19.388 8.762 -4.829 1.00 71.53 H new ATOM 0 HA TYR A 33 16.925 10.257 -4.262 1.00 22.43 H new ATOM 0 HB2 TYR A 33 18.759 10.688 -6.648 1.00 13.21 H new ATOM 0 HB3 TYR A 33 17.084 11.203 -6.617 1.00 13.21 H new ATOM 0 HD1 TYR A 33 20.446 11.823 -5.252 1.00 10.13 H new ATOM 0 HD2 TYR A 33 16.379 13.094 -5.217 1.00 31.34 H new ATOM 0 HE1 TYR A 33 21.110 13.916 -4.152 1.00 74.41 H new ATOM 0 HE2 TYR A 33 17.041 15.189 -4.121 1.00 73.22 H new ATOM 0 HH TYR A 33 18.694 16.406 -3.306 1.00 24.33 H new ATOM 515 N CYS A 34 15.680 8.536 -5.519 1.00 21.21 N ATOM 516 CA CYS A 34 14.936 7.460 -6.165 1.00 43.55 C ATOM 517 C CYS A 34 14.812 7.710 -7.665 1.00 4.30 C ATOM 518 O CYS A 34 14.037 8.562 -8.101 1.00 44.55 O ATOM 519 CB CYS A 34 13.546 7.327 -5.542 1.00 2.12 C ATOM 520 SG CYS A 34 13.503 6.312 -4.046 1.00 54.20 S ATOM 0 H CYS A 34 15.124 9.113 -4.888 1.00 21.21 H new ATOM 0 HA CYS A 34 15.484 6.530 -6.013 1.00 43.55 H new ATOM 0 HB2 CYS A 34 13.169 8.322 -5.304 1.00 2.12 H new ATOM 0 HB3 CYS A 34 12.868 6.897 -6.280 1.00 2.12 H new ATOM 0 HG CYS A 34 12.286 6.261 -3.591 1.00 54.20 H new ATOM 526 N LEU A 35 15.582 6.963 -8.449 1.00 54.43 N ATOM 527 CA LEU A 35 15.560 7.104 -9.901 1.00 53.51 C ATOM 528 C LEU A 35 14.183 6.760 -10.461 1.00 1.41 C ATOM 529 O LEU A 35 13.584 5.750 -10.089 1.00 5.32 O ATOM 530 CB LEU A 35 16.621 6.205 -10.537 1.00 32.42 C ATOM 531 CG LEU A 35 17.221 6.701 -11.852 1.00 43.14 C ATOM 532 CD1 LEU A 35 16.154 6.772 -12.933 1.00 53.32 C ATOM 533 CD2 LEU A 35 17.879 8.060 -11.659 1.00 72.24 C ATOM 0 H LEU A 35 16.229 6.254 -8.104 1.00 54.43 H new ATOM 0 HA LEU A 35 15.781 8.143 -10.143 1.00 53.51 H new ATOM 0 HB2 LEU A 35 17.431 6.069 -9.820 1.00 32.42 H new ATOM 0 HB3 LEU A 35 16.180 5.223 -10.710 1.00 32.42 H new ATOM 0 HG LEU A 35 17.985 5.992 -12.171 1.00 43.14 H new ATOM 0 HD11 LEU A 35 16.600 7.127 -13.862 1.00 53.32 H new ATOM 0 HD12 LEU A 35 15.729 5.781 -13.090 1.00 53.32 H new ATOM 0 HD13 LEU A 35 15.367 7.459 -12.623 1.00 53.32 H new ATOM 0 HD21 LEU A 35 18.301 8.398 -12.606 1.00 72.24 H new ATOM 0 HD22 LEU A 35 17.135 8.779 -11.316 1.00 72.24 H new ATOM 0 HD23 LEU A 35 18.673 7.978 -10.917 1.00 72.24 H new ATOM 545 N LEU A 36 13.687 7.605 -11.358 1.00 42.22 N ATOM 546 CA LEU A 36 12.381 7.390 -11.972 1.00 65.30 C ATOM 547 C LEU A 36 12.513 7.207 -13.481 1.00 35.03 C ATOM 548 O LEU A 36 11.969 6.261 -14.051 1.00 30.10 O ATOM 549 CB LEU A 36 11.453 8.567 -11.668 1.00 73.41 C ATOM 550 CG LEU A 36 11.357 8.984 -10.200 1.00 55.03 C ATOM 551 CD1 LEU A 36 11.243 10.496 -10.082 1.00 35.13 C ATOM 552 CD2 LEU A 36 10.172 8.304 -9.529 1.00 24.22 C ATOM 0 H LEU A 36 14.169 8.445 -11.676 1.00 42.22 H new ATOM 0 HA LEU A 36 11.953 6.480 -11.550 1.00 65.30 H new ATOM 0 HB2 LEU A 36 11.788 9.427 -12.248 1.00 73.41 H new ATOM 0 HB3 LEU A 36 10.452 8.315 -12.020 1.00 73.41 H new ATOM 0 HG LEU A 36 12.268 8.668 -9.691 1.00 55.03 H new ATOM 0 HD11 LEU A 36 11.176 10.775 -9.030 1.00 35.13 H new ATOM 0 HD12 LEU A 36 12.122 10.963 -10.526 1.00 35.13 H new ATOM 0 HD13 LEU A 36 10.349 10.835 -10.605 1.00 35.13 H new ATOM 0 HD21 LEU A 36 10.119 8.612 -8.485 1.00 24.22 H new ATOM 0 HD22 LEU A 36 9.252 8.590 -10.039 1.00 24.22 H new ATOM 0 HD23 LEU A 36 10.295 7.222 -9.582 1.00 24.22 H new ATOM 564 N ASP A 37 13.238 8.117 -14.121 1.00 4.03 N ATOM 565 CA ASP A 37 13.444 8.055 -15.563 1.00 61.30 C ATOM 566 C ASP A 37 14.892 8.376 -15.920 1.00 22.42 C ATOM 567 O ASP A 37 15.394 9.455 -15.608 1.00 2.34 O ATOM 568 CB ASP A 37 12.503 9.026 -16.276 1.00 52.44 C ATOM 569 CG ASP A 37 11.598 8.329 -17.273 1.00 53.20 C ATOM 570 OD1 ASP A 37 10.497 7.896 -16.873 1.00 1.34 O ATOM 571 OD2 ASP A 37 11.990 8.216 -18.453 1.00 64.43 O ATOM 0 H ASP A 37 13.693 8.907 -13.664 1.00 4.03 H new ATOM 0 HA ASP A 37 13.224 7.040 -15.893 1.00 61.30 H new ATOM 0 HB2 ASP A 37 11.893 9.545 -15.537 1.00 52.44 H new ATOM 0 HB3 ASP A 37 13.091 9.784 -16.792 1.00 52.44 H new ATOM 576 N SER A 38 15.558 7.430 -16.575 1.00 5.13 N ATOM 577 CA SER A 38 16.951 7.610 -16.970 1.00 14.14 C ATOM 578 C SER A 38 17.157 7.212 -18.428 1.00 3.50 C ATOM 579 O SER A 38 17.476 6.063 -18.730 1.00 64.42 O ATOM 580 CB SER A 38 17.869 6.783 -16.069 1.00 25.15 C ATOM 581 OG SER A 38 17.404 5.450 -15.952 1.00 33.44 O ATOM 0 H SER A 38 15.156 6.532 -16.843 1.00 5.13 H new ATOM 0 HA SER A 38 17.201 8.665 -16.861 1.00 14.14 H new ATOM 0 HB2 SER A 38 18.880 6.784 -16.476 1.00 25.15 H new ATOM 0 HB3 SER A 38 17.922 7.241 -15.081 1.00 25.15 H new ATOM 0 HG SER A 38 17.227 5.086 -16.844 1.00 33.44 H new ATOM 587 N SER A 39 16.973 8.173 -19.328 1.00 71.34 N ATOM 588 CA SER A 39 17.135 7.923 -20.756 1.00 11.30 C ATOM 589 C SER A 39 18.531 8.325 -21.223 1.00 12.24 C ATOM 590 O SER A 39 19.189 7.585 -21.953 1.00 10.40 O ATOM 591 CB SER A 39 16.078 8.691 -21.553 1.00 31.35 C ATOM 592 OG SER A 39 16.046 8.262 -22.903 1.00 4.31 O ATOM 0 H SER A 39 16.712 9.131 -19.094 1.00 71.34 H new ATOM 0 HA SER A 39 17.006 6.855 -20.930 1.00 11.30 H new ATOM 0 HB2 SER A 39 15.098 8.545 -21.098 1.00 31.35 H new ATOM 0 HB3 SER A 39 16.292 9.759 -21.512 1.00 31.35 H new ATOM 0 HG SER A 39 15.362 8.767 -23.390 1.00 4.31 H new ATOM 598 N GLU A 40 18.975 9.503 -20.795 1.00 32.14 N ATOM 599 CA GLU A 40 20.292 10.004 -21.169 1.00 71.03 C ATOM 600 C GLU A 40 20.805 11.008 -20.141 1.00 13.20 C ATOM 601 O GLU A 40 20.028 11.580 -19.375 1.00 71.24 O ATOM 602 CB GLU A 40 20.240 10.656 -22.553 1.00 33.43 C ATOM 603 CG GLU A 40 21.343 10.189 -23.487 1.00 41.23 C ATOM 604 CD GLU A 40 20.811 9.412 -24.676 1.00 3.12 C ATOM 605 OE1 GLU A 40 19.919 9.936 -25.375 1.00 34.21 O ATOM 606 OE2 GLU A 40 21.287 8.281 -24.907 1.00 20.12 O ATOM 0 H GLU A 40 18.442 10.127 -20.190 1.00 32.14 H new ATOM 0 HA GLU A 40 20.979 9.158 -21.199 1.00 71.03 H new ATOM 0 HB2 GLU A 40 19.274 10.442 -23.010 1.00 33.43 H new ATOM 0 HB3 GLU A 40 20.306 11.738 -22.438 1.00 33.43 H new ATOM 0 HG2 GLU A 40 21.902 11.054 -23.844 1.00 41.23 H new ATOM 0 HG3 GLU A 40 22.043 9.564 -22.933 1.00 41.23 H new ATOM 613 N ILE A 41 22.117 11.217 -20.130 1.00 31.32 N ATOM 614 CA ILE A 41 22.733 12.151 -19.197 1.00 4.53 C ATOM 615 C ILE A 41 22.125 13.543 -19.330 1.00 14.20 C ATOM 616 O ILE A 41 22.253 14.377 -18.433 1.00 53.20 O ATOM 617 CB ILE A 41 24.255 12.246 -19.417 1.00 32.31 C ATOM 618 CG1 ILE A 41 24.881 13.201 -18.399 1.00 41.11 C ATOM 619 CG2 ILE A 41 24.557 12.702 -20.836 1.00 42.52 C ATOM 620 CD1 ILE A 41 26.393 13.227 -18.445 1.00 51.15 C ATOM 0 H ILE A 41 22.774 10.752 -20.757 1.00 31.32 H new ATOM 0 HA ILE A 41 22.542 11.767 -18.195 1.00 4.53 H new ATOM 0 HB ILE A 41 24.691 11.257 -19.274 1.00 32.31 H new ATOM 0 HG12 ILE A 41 24.503 14.208 -18.577 1.00 41.11 H new ATOM 0 HG13 ILE A 41 24.561 12.913 -17.398 1.00 41.11 H new ATOM 0 HG21 ILE A 41 25.636 12.764 -20.976 1.00 42.52 H new ATOM 0 HG22 ILE A 41 24.140 11.987 -21.545 1.00 42.52 H new ATOM 0 HG23 ILE A 41 24.112 13.682 -21.006 1.00 42.52 H new ATOM 0 HD11 ILE A 41 26.768 13.925 -17.697 1.00 51.15 H new ATOM 0 HD12 ILE A 41 26.781 12.230 -18.237 1.00 51.15 H new ATOM 0 HD13 ILE A 41 26.721 13.545 -19.435 1.00 51.15 H new ATOM 632 N HIS A 42 21.460 13.787 -20.455 1.00 12.10 N ATOM 633 CA HIS A 42 20.828 15.078 -20.705 1.00 61.21 C ATOM 634 C HIS A 42 19.896 15.458 -19.559 1.00 33.43 C ATOM 635 O HIS A 42 19.930 16.585 -19.066 1.00 51.21 O ATOM 636 CB HIS A 42 20.050 15.042 -22.021 1.00 34.14 C ATOM 637 CG HIS A 42 20.880 14.629 -23.197 1.00 12.31 C ATOM 638 ND1 HIS A 42 22.256 14.717 -23.215 1.00 12.51 N ATOM 639 CD2 HIS A 42 20.521 14.122 -24.399 1.00 60.04 C ATOM 640 CE1 HIS A 42 22.707 14.284 -24.378 1.00 63.12 C ATOM 641 NE2 HIS A 42 21.675 13.916 -25.115 1.00 53.11 N ATOM 0 H HIS A 42 21.345 13.108 -21.208 1.00 12.10 H new ATOM 0 HA HIS A 42 21.613 15.831 -20.776 1.00 61.21 H new ATOM 0 HB2 HIS A 42 19.211 14.353 -21.919 1.00 34.14 H new ATOM 0 HB3 HIS A 42 19.630 16.029 -22.212 1.00 34.14 H new ATOM 0 HD2 HIS A 42 19.515 13.917 -24.733 1.00 60.04 H new ATOM 0 HE1 HIS A 42 23.744 14.239 -24.676 1.00 63.12 H new ATOM 0 HE2 HIS A 42 21.726 13.540 -26.062 1.00 53.11 H new ATOM 649 N TRP A 43 19.065 14.510 -19.140 1.00 55.23 N ATOM 650 CA TRP A 43 18.122 14.746 -18.052 1.00 43.43 C ATOM 651 C TRP A 43 17.734 13.437 -17.374 1.00 43.03 C ATOM 652 O TRP A 43 17.332 12.480 -18.036 1.00 43.35 O ATOM 653 CB TRP A 43 16.872 15.453 -18.578 1.00 14.13 C ATOM 654 CG TRP A 43 16.126 14.655 -19.604 1.00 54.40 C ATOM 655 CD1 TRP A 43 16.252 14.743 -20.961 1.00 41.10 C ATOM 656 CD2 TRP A 43 15.136 13.651 -19.355 1.00 63.34 C ATOM 657 NE1 TRP A 43 15.401 13.853 -21.571 1.00 40.40 N ATOM 658 CE2 TRP A 43 14.706 13.171 -20.608 1.00 22.30 C ATOM 659 CE3 TRP A 43 14.574 13.108 -18.197 1.00 54.40 C ATOM 660 CZ2 TRP A 43 13.740 12.176 -20.732 1.00 14.33 C ATOM 661 CZ3 TRP A 43 13.614 12.122 -18.322 1.00 21.25 C ATOM 662 CH2 TRP A 43 13.205 11.663 -19.581 1.00 4.30 C ATOM 0 H TRP A 43 19.025 13.571 -19.537 1.00 55.23 H new ATOM 0 HA TRP A 43 18.609 15.384 -17.315 1.00 43.43 H new ATOM 0 HB2 TRP A 43 16.207 15.669 -17.742 1.00 14.13 H new ATOM 0 HB3 TRP A 43 17.160 16.410 -19.012 1.00 14.13 H new ATOM 0 HD1 TRP A 43 16.922 15.414 -21.479 1.00 41.10 H new ATOM 0 HE1 TRP A 43 15.303 13.722 -22.578 1.00 40.40 H new ATOM 0 HE3 TRP A 43 14.884 13.453 -17.222 1.00 54.40 H new ATOM 0 HZ2 TRP A 43 13.424 11.821 -21.702 1.00 14.33 H new ATOM 0 HZ3 TRP A 43 13.171 11.698 -17.433 1.00 21.25 H new ATOM 0 HH2 TRP A 43 12.454 10.890 -19.645 1.00 4.30 H new ATOM 673 N TRP A 44 17.857 13.401 -16.052 1.00 50.55 N ATOM 674 CA TRP A 44 17.518 12.208 -15.285 1.00 63.05 C ATOM 675 C TRP A 44 16.455 12.518 -14.238 1.00 32.21 C ATOM 676 O TRP A 44 16.695 13.283 -13.304 1.00 20.44 O ATOM 677 CB TRP A 44 18.767 11.640 -14.610 1.00 23.34 C ATOM 678 CG TRP A 44 19.445 10.572 -15.415 1.00 12.42 C ATOM 679 CD1 TRP A 44 19.458 10.456 -16.775 1.00 51.45 C ATOM 680 CD2 TRP A 44 20.206 9.470 -14.909 1.00 13.33 C ATOM 681 NE1 TRP A 44 20.181 9.348 -17.146 1.00 2.32 N ATOM 682 CE2 TRP A 44 20.651 8.727 -16.019 1.00 62.22 C ATOM 683 CE3 TRP A 44 20.556 9.040 -13.626 1.00 52.21 C ATOM 684 CZ2 TRP A 44 21.427 7.578 -15.883 1.00 54.51 C ATOM 685 CZ3 TRP A 44 21.325 7.900 -13.493 1.00 2.13 C ATOM 686 CH2 TRP A 44 21.754 7.180 -14.616 1.00 5.23 C ATOM 0 H TRP A 44 18.189 14.184 -15.489 1.00 50.55 H new ATOM 0 HA TRP A 44 17.116 11.465 -15.974 1.00 63.05 H new ATOM 0 HB2 TRP A 44 19.473 12.450 -14.428 1.00 23.34 H new ATOM 0 HB3 TRP A 44 18.492 11.232 -13.637 1.00 23.34 H new ATOM 0 HD1 TRP A 44 18.971 11.135 -17.459 1.00 51.45 H new ATOM 0 HE1 TRP A 44 20.342 9.038 -18.104 1.00 2.32 H new ATOM 0 HE3 TRP A 44 20.231 9.589 -12.754 1.00 52.21 H new ATOM 0 HZ2 TRP A 44 21.759 7.021 -16.747 1.00 54.51 H new ATOM 0 HZ3 TRP A 44 21.600 7.558 -12.506 1.00 2.13 H new ATOM 0 HH2 TRP A 44 22.355 6.293 -14.478 1.00 5.23 H new ATOM 697 N ARG A 45 15.279 11.919 -14.399 1.00 42.34 N ATOM 698 CA ARG A 45 14.179 12.133 -13.467 1.00 73.13 C ATOM 699 C ARG A 45 14.373 11.308 -12.198 1.00 42.13 C ATOM 700 O ARG A 45 14.452 10.081 -12.249 1.00 73.50 O ATOM 701 CB ARG A 45 12.847 11.769 -14.126 1.00 33.13 C ATOM 702 CG ARG A 45 11.982 12.974 -14.457 1.00 52.13 C ATOM 703 CD ARG A 45 10.989 13.271 -13.344 1.00 61.41 C ATOM 704 NE ARG A 45 9.788 13.934 -13.844 1.00 71.23 N ATOM 705 CZ ARG A 45 8.968 14.644 -13.078 1.00 52.52 C ATOM 706 NH1 ARG A 45 9.219 14.784 -11.784 1.00 34.33 N ATOM 707 NH2 ARG A 45 7.894 15.218 -13.607 1.00 5.21 N ATOM 0 H ARG A 45 15.064 11.282 -15.166 1.00 42.34 H new ATOM 0 HA ARG A 45 14.166 13.188 -13.195 1.00 73.13 H new ATOM 0 HB2 ARG A 45 13.045 11.212 -15.042 1.00 33.13 H new ATOM 0 HB3 ARG A 45 12.292 11.105 -13.462 1.00 33.13 H new ATOM 0 HG2 ARG A 45 12.617 13.845 -14.621 1.00 52.13 H new ATOM 0 HG3 ARG A 45 11.444 12.792 -15.387 1.00 52.13 H new ATOM 0 HD2 ARG A 45 10.710 12.341 -12.849 1.00 61.41 H new ATOM 0 HD3 ARG A 45 11.465 13.901 -12.593 1.00 61.41 H new ATOM 0 HE ARG A 45 9.567 13.847 -14.836 1.00 71.23 H new ATOM 0 HH11 ARG A 45 10.044 14.346 -11.374 1.00 34.33 H new ATOM 0 HH12 ARG A 45 8.587 15.330 -11.198 1.00 34.33 H new ATOM 0 HH21 ARG A 45 7.698 15.114 -14.603 1.00 5.21 H new ATOM 0 HH22 ARG A 45 7.265 15.763 -13.018 1.00 5.21 H new ATOM 721 N VAL A 46 14.451 11.991 -11.061 1.00 11.33 N ATOM 722 CA VAL A 46 14.636 11.322 -9.778 1.00 53.43 C ATOM 723 C VAL A 46 13.730 11.924 -8.709 1.00 44.03 C ATOM 724 O VAL A 46 13.107 12.963 -8.924 1.00 35.21 O ATOM 725 CB VAL A 46 16.099 11.410 -9.305 1.00 52.23 C ATOM 726 CG1 VAL A 46 17.038 10.862 -10.369 1.00 51.10 C ATOM 727 CG2 VAL A 46 16.459 12.845 -8.953 1.00 1.44 C ATOM 0 H VAL A 46 14.389 13.007 -11.002 1.00 11.33 H new ATOM 0 HA VAL A 46 14.373 10.275 -9.926 1.00 53.43 H new ATOM 0 HB VAL A 46 16.210 10.801 -8.408 1.00 52.23 H new ATOM 0 HG11 VAL A 46 18.067 10.932 -10.017 1.00 51.10 H new ATOM 0 HG12 VAL A 46 16.793 9.819 -10.568 1.00 51.10 H new ATOM 0 HG13 VAL A 46 16.927 11.442 -11.285 1.00 51.10 H new ATOM 0 HG21 VAL A 46 17.496 12.889 -8.621 1.00 1.44 H new ATOM 0 HG22 VAL A 46 16.332 13.478 -9.831 1.00 1.44 H new ATOM 0 HG23 VAL A 46 15.807 13.198 -8.154 1.00 1.44 H new ATOM 737 N GLN A 47 13.665 11.264 -7.558 1.00 13.05 N ATOM 738 CA GLN A 47 12.835 11.734 -6.454 1.00 41.35 C ATOM 739 C GLN A 47 13.635 11.789 -5.157 1.00 13.21 C ATOM 740 O GLN A 47 14.407 10.880 -4.853 1.00 72.31 O ATOM 741 CB GLN A 47 11.618 10.824 -6.279 1.00 64.25 C ATOM 742 CG GLN A 47 10.800 11.134 -5.037 1.00 1.25 C ATOM 743 CD GLN A 47 9.433 10.479 -5.059 1.00 50.43 C ATOM 744 OE1 GLN A 47 8.406 11.159 -5.074 1.00 4.32 O ATOM 745 NE2 GLN A 47 9.412 9.152 -5.063 1.00 22.31 N ATOM 0 H GLN A 47 14.176 10.403 -7.365 1.00 13.05 H new ATOM 0 HA GLN A 47 12.494 12.742 -6.692 1.00 41.35 H new ATOM 0 HB2 GLN A 47 10.978 10.914 -7.157 1.00 64.25 H new ATOM 0 HB3 GLN A 47 11.953 9.788 -6.234 1.00 64.25 H new ATOM 0 HG2 GLN A 47 11.345 10.798 -4.155 1.00 1.25 H new ATOM 0 HG3 GLN A 47 10.680 12.214 -4.946 1.00 1.25 H new ATOM 0 HE21 GLN A 47 10.287 8.628 -5.050 1.00 22.31 H new ATOM 0 HE22 GLN A 47 8.521 8.656 -5.079 1.00 22.31 H new ATOM 754 N ASP A 48 13.445 12.861 -4.396 1.00 13.31 N ATOM 755 CA ASP A 48 14.148 13.035 -3.130 1.00 71.21 C ATOM 756 C ASP A 48 13.486 12.218 -2.024 1.00 51.45 C ATOM 757 O ASP A 48 12.560 11.447 -2.278 1.00 42.41 O ATOM 758 CB ASP A 48 14.181 14.513 -2.739 1.00 44.13 C ATOM 759 CG ASP A 48 12.799 15.136 -2.710 1.00 64.24 C ATOM 760 OD1 ASP A 48 11.815 14.387 -2.539 1.00 62.22 O ATOM 761 OD2 ASP A 48 12.702 16.372 -2.860 1.00 1.02 O ATOM 0 H ASP A 48 12.810 13.623 -4.634 1.00 13.31 H new ATOM 0 HA ASP A 48 15.170 12.679 -3.258 1.00 71.21 H new ATOM 0 HB2 ASP A 48 14.643 14.616 -1.757 1.00 44.13 H new ATOM 0 HB3 ASP A 48 14.807 15.059 -3.445 1.00 44.13 H new ATOM 766 N ARG A 49 13.968 12.393 -0.798 1.00 75.41 N ATOM 767 CA ARG A 49 13.424 11.670 0.346 1.00 41.42 C ATOM 768 C ARG A 49 12.357 12.499 1.055 1.00 73.23 C ATOM 769 O ARG A 49 12.087 12.300 2.238 1.00 22.14 O ATOM 770 CB ARG A 49 14.541 11.312 1.327 1.00 25.51 C ATOM 771 CG ARG A 49 15.317 12.516 1.834 1.00 44.34 C ATOM 772 CD ARG A 49 15.050 12.771 3.309 1.00 42.12 C ATOM 773 NE ARG A 49 15.356 11.603 4.130 1.00 32.21 N ATOM 774 CZ ARG A 49 14.924 11.447 5.377 1.00 52.44 C ATOM 775 NH1 ARG A 49 14.171 12.381 5.942 1.00 1.01 N ATOM 776 NH2 ARG A 49 15.244 10.356 6.060 1.00 42.11 N ATOM 0 H ARG A 49 14.733 13.028 -0.571 1.00 75.41 H new ATOM 0 HA ARG A 49 12.963 10.753 -0.021 1.00 41.42 H new ATOM 0 HB2 ARG A 49 14.110 10.784 2.178 1.00 25.51 H new ATOM 0 HB3 ARG A 49 15.232 10.623 0.841 1.00 25.51 H new ATOM 0 HG2 ARG A 49 16.384 12.354 1.679 1.00 44.34 H new ATOM 0 HG3 ARG A 49 15.041 13.398 1.256 1.00 44.34 H new ATOM 0 HD2 ARG A 49 15.649 13.617 3.645 1.00 42.12 H new ATOM 0 HD3 ARG A 49 14.004 13.046 3.446 1.00 42.12 H new ATOM 0 HE ARG A 49 15.933 10.866 3.724 1.00 32.21 H new ATOM 0 HH11 ARG A 49 13.922 13.221 5.419 1.00 1.01 H new ATOM 0 HH12 ARG A 49 13.840 12.259 6.899 1.00 1.01 H new ATOM 0 HH21 ARG A 49 15.822 9.635 5.628 1.00 42.11 H new ATOM 0 HH22 ARG A 49 14.912 10.238 7.017 1.00 42.11 H new ATOM 790 N ASN A 50 11.753 13.429 0.322 1.00 60.23 N ATOM 791 CA ASN A 50 10.716 14.288 0.880 1.00 11.45 C ATOM 792 C ASN A 50 9.381 14.057 0.179 1.00 31.52 C ATOM 793 O ASN A 50 8.318 14.289 0.753 1.00 53.22 O ATOM 794 CB ASN A 50 11.121 15.759 0.756 1.00 22.55 C ATOM 795 CG ASN A 50 12.495 16.030 1.338 1.00 43.43 C ATOM 796 OD1 ASN A 50 13.533 15.747 0.559 1.00 74.21 O flip ATOM 797 ND2 ASN A 50 12.622 16.490 2.473 1.00 3.24 N flip ATOM 0 H ASN A 50 11.964 13.607 -0.660 1.00 60.23 H new ATOM 0 HA ASN A 50 10.601 14.037 1.934 1.00 11.45 H new ATOM 0 HB2 ASN A 50 11.111 16.049 -0.295 1.00 22.55 H new ATOM 0 HB3 ASN A 50 10.384 16.380 1.265 1.00 22.55 H new ATOM 0 HD21 ASN A 50 11.796 16.693 3.037 1.00 3.24 H new ATOM 0 HD22 ASN A 50 13.553 16.669 2.850 1.00 3.24 H new ATOM 804 N GLY A 51 9.445 13.595 -1.066 1.00 50.54 N ATOM 805 CA GLY A 51 8.235 13.339 -1.826 1.00 1.14 C ATOM 806 C GLY A 51 8.129 14.213 -3.060 1.00 12.04 C ATOM 807 O GLY A 51 7.035 14.431 -3.583 1.00 25.03 O ATOM 0 H GLY A 51 10.313 13.393 -1.562 1.00 50.54 H new ATOM 0 HA2 GLY A 51 8.212 12.291 -2.124 1.00 1.14 H new ATOM 0 HA3 GLY A 51 7.367 13.508 -1.189 1.00 1.14 H new ATOM 811 N HIS A 52 9.267 14.717 -3.526 1.00 21.02 N ATOM 812 CA HIS A 52 9.297 15.574 -4.706 1.00 22.40 C ATOM 813 C HIS A 52 10.146 14.949 -5.809 1.00 72.23 C ATOM 814 O HIS A 52 11.197 14.368 -5.542 1.00 61.01 O ATOM 815 CB HIS A 52 9.845 16.955 -4.346 1.00 31.14 C ATOM 816 CG HIS A 52 9.256 17.524 -3.092 1.00 1.33 C ATOM 817 ND1 HIS A 52 9.960 17.630 -1.911 1.00 13.54 N ATOM 818 CD2 HIS A 52 8.023 18.022 -2.839 1.00 71.13 C ATOM 819 CE1 HIS A 52 9.184 18.167 -0.985 1.00 43.15 C ATOM 820 NE2 HIS A 52 8.004 18.414 -1.524 1.00 13.54 N ATOM 0 H HIS A 52 10.180 14.547 -3.105 1.00 21.02 H new ATOM 0 HA HIS A 52 8.276 15.681 -5.073 1.00 22.40 H new ATOM 0 HB2 HIS A 52 10.927 16.889 -4.232 1.00 31.14 H new ATOM 0 HB3 HIS A 52 9.652 17.640 -5.172 1.00 31.14 H new ATOM 0 HD2 HIS A 52 7.206 18.097 -3.541 1.00 71.13 H new ATOM 0 HE1 HIS A 52 9.467 18.369 0.038 1.00 43.15 H new ATOM 0 HE2 HIS A 52 7.207 18.829 -1.041 1.00 13.54 H new ATOM 828 N GLU A 53 9.681 15.072 -7.049 1.00 12.24 N ATOM 829 CA GLU A 53 10.397 14.518 -8.191 1.00 62.33 C ATOM 830 C GLU A 53 10.752 15.612 -9.194 1.00 23.10 C ATOM 831 O GLU A 53 9.946 16.498 -9.474 1.00 72.43 O ATOM 832 CB GLU A 53 9.555 13.438 -8.875 1.00 11.44 C ATOM 833 CG GLU A 53 8.866 12.497 -7.901 1.00 64.42 C ATOM 834 CD GLU A 53 8.496 11.170 -8.536 1.00 12.31 C ATOM 835 OE1 GLU A 53 8.050 11.174 -9.702 1.00 43.04 O ATOM 836 OE2 GLU A 53 8.652 10.128 -7.865 1.00 51.24 O ATOM 0 H GLU A 53 8.812 15.550 -7.287 1.00 12.24 H new ATOM 0 HA GLU A 53 11.321 14.071 -7.825 1.00 62.33 H new ATOM 0 HB2 GLU A 53 8.801 13.918 -9.499 1.00 11.44 H new ATOM 0 HB3 GLU A 53 10.195 12.856 -9.539 1.00 11.44 H new ATOM 0 HG2 GLU A 53 9.522 12.318 -7.049 1.00 64.42 H new ATOM 0 HG3 GLU A 53 7.965 12.975 -7.515 1.00 64.42 H new ATOM 843 N GLY A 54 11.967 15.543 -9.731 1.00 12.21 N ATOM 844 CA GLY A 54 12.409 16.533 -10.696 1.00 15.35 C ATOM 845 C GLY A 54 13.484 16.001 -11.622 1.00 33.11 C ATOM 846 O GLY A 54 13.798 14.811 -11.600 1.00 23.32 O ATOM 0 H GLY A 54 12.653 14.819 -9.515 1.00 12.21 H new ATOM 0 HA2 GLY A 54 11.556 16.865 -11.288 1.00 15.35 H new ATOM 0 HA3 GLY A 54 12.789 17.407 -10.167 1.00 15.35 H new ATOM 850 N TYR A 55 14.048 16.883 -12.439 1.00 74.15 N ATOM 851 CA TYR A 55 15.091 16.494 -13.381 1.00 11.10 C ATOM 852 C TYR A 55 16.469 16.893 -12.862 1.00 41.13 C ATOM 853 O TYR A 55 16.637 17.956 -12.265 1.00 13.33 O ATOM 854 CB TYR A 55 14.841 17.138 -14.746 1.00 2.23 C ATOM 855 CG TYR A 55 13.568 16.669 -15.413 1.00 62.20 C ATOM 856 CD1 TYR A 55 12.332 17.171 -15.025 1.00 72.33 C ATOM 857 CD2 TYR A 55 13.601 15.723 -16.430 1.00 44.12 C ATOM 858 CE1 TYR A 55 11.166 16.744 -15.632 1.00 11.45 C ATOM 859 CE2 TYR A 55 12.441 15.292 -17.043 1.00 52.10 C ATOM 860 CZ TYR A 55 11.226 15.805 -16.640 1.00 53.51 C ATOM 861 OH TYR A 55 10.067 15.378 -17.247 1.00 62.31 O ATOM 0 H TYR A 55 13.801 17.872 -12.468 1.00 74.15 H new ATOM 0 HA TYR A 55 15.063 15.410 -13.488 1.00 11.10 H new ATOM 0 HB2 TYR A 55 14.801 18.221 -14.626 1.00 2.23 H new ATOM 0 HB3 TYR A 55 15.685 16.921 -15.401 1.00 2.23 H new ATOM 0 HD1 TYR A 55 12.281 17.907 -14.236 1.00 72.33 H new ATOM 0 HD2 TYR A 55 14.551 15.318 -16.747 1.00 44.12 H new ATOM 0 HE1 TYR A 55 10.213 17.144 -15.318 1.00 11.45 H new ATOM 0 HE2 TYR A 55 12.485 14.557 -17.833 1.00 52.10 H new ATOM 0 HH TYR A 55 10.284 14.717 -17.937 1.00 62.31 H new ATOM 871 N VAL A 56 17.454 16.032 -13.096 1.00 63.11 N ATOM 872 CA VAL A 56 18.819 16.293 -12.655 1.00 41.40 C ATOM 873 C VAL A 56 19.833 15.630 -13.581 1.00 15.11 C ATOM 874 O VAL A 56 19.538 14.649 -14.264 1.00 33.03 O ATOM 875 CB VAL A 56 19.050 15.793 -11.217 1.00 32.13 C ATOM 876 CG1 VAL A 56 18.426 16.749 -10.212 1.00 1.41 C ATOM 877 CG2 VAL A 56 18.491 14.388 -11.046 1.00 2.31 C ATOM 0 H VAL A 56 17.332 15.147 -13.589 1.00 63.11 H new ATOM 0 HA VAL A 56 18.959 17.374 -12.683 1.00 41.40 H new ATOM 0 HB VAL A 56 20.123 15.758 -11.031 1.00 32.13 H new ATOM 0 HG11 VAL A 56 18.600 16.379 -9.202 1.00 1.41 H new ATOM 0 HG12 VAL A 56 18.877 17.735 -10.320 1.00 1.41 H new ATOM 0 HG13 VAL A 56 17.353 16.819 -10.394 1.00 1.41 H new ATOM 0 HG21 VAL A 56 18.663 14.050 -10.024 1.00 2.31 H new ATOM 0 HG22 VAL A 56 17.420 14.395 -11.251 1.00 2.31 H new ATOM 0 HG23 VAL A 56 18.989 13.711 -11.740 1.00 2.31 H new ATOM 887 N PRO A 57 21.057 16.177 -13.606 1.00 62.41 N ATOM 888 CA PRO A 57 22.140 15.653 -14.444 1.00 5.23 C ATOM 889 C PRO A 57 22.647 14.300 -13.957 1.00 64.11 C ATOM 890 O PRO A 57 22.873 14.104 -12.763 1.00 64.20 O ATOM 891 CB PRO A 57 23.236 16.714 -14.310 1.00 70.04 C ATOM 892 CG PRO A 57 22.972 17.369 -12.999 1.00 34.13 C ATOM 893 CD PRO A 57 21.479 17.347 -12.818 1.00 51.04 C ATOM 0 HA PRO A 57 21.815 15.482 -15.470 1.00 5.23 H new ATOM 0 HB2 PRO A 57 24.228 16.263 -14.334 1.00 70.04 H new ATOM 0 HB3 PRO A 57 23.192 17.433 -15.128 1.00 70.04 H new ATOM 0 HG2 PRO A 57 23.471 16.837 -12.189 1.00 34.13 H new ATOM 0 HG3 PRO A 57 23.351 18.391 -12.990 1.00 34.13 H new ATOM 0 HD2 PRO A 57 21.203 17.245 -11.768 1.00 51.04 H new ATOM 0 HD3 PRO A 57 21.017 18.265 -13.182 1.00 51.04 H new ATOM 901 N SER A 58 22.824 13.369 -14.889 1.00 45.35 N ATOM 902 CA SER A 58 23.302 12.033 -14.555 1.00 32.24 C ATOM 903 C SER A 58 24.804 12.043 -14.290 1.00 3.03 C ATOM 904 O SER A 58 25.315 11.233 -13.517 1.00 21.52 O ATOM 905 CB SER A 58 22.979 11.054 -15.686 1.00 15.55 C ATOM 906 OG SER A 58 23.275 9.721 -15.307 1.00 14.41 O ATOM 0 H SER A 58 22.643 13.516 -15.882 1.00 45.35 H new ATOM 0 HA SER A 58 22.793 11.709 -13.647 1.00 32.24 H new ATOM 0 HB2 SER A 58 21.925 11.134 -15.951 1.00 15.55 H new ATOM 0 HB3 SER A 58 23.552 11.318 -16.575 1.00 15.55 H new ATOM 0 HG SER A 58 22.449 9.264 -15.045 1.00 14.41 H new ATOM 912 N SER A 59 25.507 12.967 -14.937 1.00 54.33 N ATOM 913 CA SER A 59 26.951 13.082 -14.776 1.00 23.03 C ATOM 914 C SER A 59 27.319 13.298 -13.311 1.00 33.43 C ATOM 915 O SER A 59 28.446 13.027 -12.895 1.00 73.04 O ATOM 916 CB SER A 59 27.491 14.236 -15.624 1.00 34.53 C ATOM 917 OG SER A 59 28.486 13.784 -16.525 1.00 61.23 O ATOM 0 H SER A 59 25.099 13.647 -15.578 1.00 54.33 H new ATOM 0 HA SER A 59 27.404 12.150 -15.113 1.00 23.03 H new ATOM 0 HB2 SER A 59 26.674 14.696 -16.180 1.00 34.53 H new ATOM 0 HB3 SER A 59 27.907 15.006 -14.974 1.00 34.53 H new ATOM 0 HG SER A 59 28.814 14.539 -17.056 1.00 61.23 H new ATOM 923 N TYR A 60 26.359 13.787 -12.533 1.00 25.41 N ATOM 924 CA TYR A 60 26.581 14.042 -11.114 1.00 63.55 C ATOM 925 C TYR A 60 25.807 13.047 -10.255 1.00 11.34 C ATOM 926 O TYR A 60 25.570 13.286 -9.070 1.00 34.33 O ATOM 927 CB TYR A 60 26.166 15.471 -10.761 1.00 30.54 C ATOM 928 CG TYR A 60 26.904 16.528 -11.549 1.00 50.55 C ATOM 929 CD1 TYR A 60 26.668 16.702 -12.908 1.00 33.05 C ATOM 930 CD2 TYR A 60 27.837 17.355 -10.936 1.00 42.41 C ATOM 931 CE1 TYR A 60 27.340 17.667 -13.632 1.00 63.21 C ATOM 932 CE2 TYR A 60 28.513 18.324 -11.653 1.00 24.15 C ATOM 933 CZ TYR A 60 28.262 18.475 -13.000 1.00 51.32 C ATOM 934 OH TYR A 60 28.933 19.439 -13.718 1.00 70.52 O ATOM 0 H TYR A 60 25.420 14.015 -12.861 1.00 25.41 H new ATOM 0 HA TYR A 60 27.645 13.919 -10.910 1.00 63.55 H new ATOM 0 HB2 TYR A 60 25.096 15.583 -10.934 1.00 30.54 H new ATOM 0 HB3 TYR A 60 26.337 15.638 -9.697 1.00 30.54 H new ATOM 0 HD1 TYR A 60 25.946 16.071 -13.406 1.00 33.05 H new ATOM 0 HD2 TYR A 60 28.037 17.239 -9.881 1.00 42.41 H new ATOM 0 HE1 TYR A 60 27.145 17.788 -14.687 1.00 63.21 H new ATOM 0 HE2 TYR A 60 29.234 18.960 -11.161 1.00 24.15 H new ATOM 0 HH TYR A 60 29.545 19.922 -13.125 1.00 70.52 H new ATOM 944 N LEU A 61 25.416 11.931 -10.860 1.00 10.14 N ATOM 945 CA LEU A 61 24.669 10.898 -10.151 1.00 14.12 C ATOM 946 C LEU A 61 25.228 9.513 -10.458 1.00 65.04 C ATOM 947 O LEU A 61 25.478 9.176 -11.616 1.00 31.42 O ATOM 948 CB LEU A 61 23.189 10.959 -10.533 1.00 34.22 C ATOM 949 CG LEU A 61 22.354 12.023 -9.819 1.00 3.00 C ATOM 950 CD1 LEU A 61 21.029 12.231 -10.535 1.00 34.33 C ATOM 951 CD2 LEU A 61 22.123 11.634 -8.366 1.00 71.42 C ATOM 0 H LEU A 61 25.604 11.718 -11.840 1.00 10.14 H new ATOM 0 HA LEU A 61 24.770 11.081 -9.081 1.00 14.12 H new ATOM 0 HB2 LEU A 61 23.119 11.131 -11.607 1.00 34.22 H new ATOM 0 HB3 LEU A 61 22.743 9.984 -10.336 1.00 34.22 H new ATOM 0 HG LEU A 61 22.905 12.963 -9.839 1.00 3.00 H new ATOM 0 HD11 LEU A 61 20.449 12.991 -10.013 1.00 34.33 H new ATOM 0 HD12 LEU A 61 21.216 12.556 -11.558 1.00 34.33 H new ATOM 0 HD13 LEU A 61 20.472 11.294 -10.548 1.00 34.33 H new ATOM 0 HD21 LEU A 61 21.527 12.403 -7.874 1.00 71.42 H new ATOM 0 HD22 LEU A 61 21.594 10.682 -8.324 1.00 71.42 H new ATOM 0 HD23 LEU A 61 23.083 11.538 -7.858 1.00 71.42 H new ATOM 963 N VAL A 62 25.422 8.713 -9.414 1.00 51.24 N ATOM 964 CA VAL A 62 25.949 7.363 -9.573 1.00 0.11 C ATOM 965 C VAL A 62 24.949 6.322 -9.084 1.00 74.32 C ATOM 966 O VAL A 62 24.483 6.381 -7.947 1.00 35.11 O ATOM 967 CB VAL A 62 27.274 7.185 -8.808 1.00 60.52 C ATOM 968 CG1 VAL A 62 27.716 5.729 -8.837 1.00 55.22 C ATOM 969 CG2 VAL A 62 28.350 8.088 -9.390 1.00 4.40 C ATOM 0 H VAL A 62 25.222 8.977 -8.449 1.00 51.24 H new ATOM 0 HA VAL A 62 26.130 7.217 -10.638 1.00 0.11 H new ATOM 0 HB VAL A 62 27.114 7.471 -7.768 1.00 60.52 H new ATOM 0 HG11 VAL A 62 28.654 5.623 -8.292 1.00 55.22 H new ATOM 0 HG12 VAL A 62 26.952 5.107 -8.370 1.00 55.22 H new ATOM 0 HG13 VAL A 62 27.859 5.413 -9.870 1.00 55.22 H new ATOM 0 HG21 VAL A 62 29.279 7.949 -8.838 1.00 4.40 H new ATOM 0 HG22 VAL A 62 28.510 7.835 -10.438 1.00 4.40 H new ATOM 0 HG23 VAL A 62 28.033 9.128 -9.312 1.00 4.40 H new ATOM 979 N GLU A 63 24.624 5.368 -9.952 1.00 15.42 N ATOM 980 CA GLU A 63 23.677 4.313 -9.608 1.00 5.53 C ATOM 981 C GLU A 63 24.116 3.581 -8.343 1.00 15.35 C ATOM 982 O GLU A 63 25.164 2.936 -8.316 1.00 12.01 O ATOM 983 CB GLU A 63 23.544 3.321 -10.764 1.00 73.43 C ATOM 984 CG GLU A 63 22.146 3.263 -11.358 1.00 62.31 C ATOM 985 CD GLU A 63 21.838 1.921 -11.994 1.00 51.23 C ATOM 986 OE1 GLU A 63 22.324 0.893 -11.478 1.00 14.41 O ATOM 987 OE2 GLU A 63 21.110 1.900 -13.009 1.00 60.10 O ATOM 0 H GLU A 63 25.002 5.304 -10.897 1.00 15.42 H new ATOM 0 HA GLU A 63 22.708 4.775 -9.422 1.00 5.53 H new ATOM 0 HB2 GLU A 63 24.252 3.592 -11.548 1.00 73.43 H new ATOM 0 HB3 GLU A 63 23.822 2.327 -10.413 1.00 73.43 H new ATOM 0 HG2 GLU A 63 21.414 3.467 -10.576 1.00 62.31 H new ATOM 0 HG3 GLU A 63 22.040 4.048 -12.106 1.00 62.31 H new ATOM 994 N LYS A 64 23.305 3.687 -7.295 1.00 24.43 N ATOM 995 CA LYS A 64 23.607 3.035 -6.025 1.00 53.15 C ATOM 996 C LYS A 64 23.475 1.520 -6.147 1.00 10.32 C ATOM 997 O LYS A 64 22.392 0.965 -5.960 1.00 63.03 O ATOM 998 CB LYS A 64 22.673 3.553 -4.929 1.00 22.42 C ATOM 999 CG LYS A 64 22.935 2.935 -3.566 1.00 1.51 C ATOM 1000 CD LYS A 64 22.653 3.921 -2.444 1.00 62.21 C ATOM 1001 CE LYS A 64 22.616 3.228 -1.090 1.00 42.53 C ATOM 1002 NZ LYS A 64 21.321 2.530 -0.860 1.00 3.24 N ATOM 0 H LYS A 64 22.434 4.218 -7.300 1.00 24.43 H new ATOM 0 HA LYS A 64 24.637 3.272 -5.758 1.00 53.15 H new ATOM 0 HB2 LYS A 64 22.779 4.635 -4.855 1.00 22.42 H new ATOM 0 HB3 LYS A 64 21.641 3.353 -5.218 1.00 22.42 H new ATOM 0 HG2 LYS A 64 22.310 2.051 -3.440 1.00 1.51 H new ATOM 0 HG3 LYS A 64 23.972 2.604 -3.509 1.00 1.51 H new ATOM 0 HD2 LYS A 64 23.420 4.695 -2.437 1.00 62.21 H new ATOM 0 HD3 LYS A 64 21.700 4.418 -2.626 1.00 62.21 H new ATOM 0 HE2 LYS A 64 23.432 2.509 -1.028 1.00 42.53 H new ATOM 0 HE3 LYS A 64 22.778 3.963 -0.301 1.00 42.53 H new ATOM 0 HZ1 LYS A 64 21.394 1.934 -0.011 1.00 3.24 H new ATOM 0 HZ2 LYS A 64 20.567 3.233 -0.725 1.00 3.24 H new ATOM 0 HZ3 LYS A 64 21.096 1.935 -1.683 1.00 3.24 H new