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 32:sc= 0.139 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=-0.026) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.062 USER MOD Single : A 20 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.38) USER MOD Single : A 33 TYR OH : rot 100:sc= -0.561 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 47 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 104:sc= 3.39 USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 15.173 2.022 -8.090 1.00 61.05 N ATOM 104 CA THR A 9 16.612 2.235 -8.009 1.00 44.50 C ATOM 105 C THR A 9 16.933 3.592 -7.391 1.00 20.51 C ATOM 106 O THR A 9 16.173 4.548 -7.540 1.00 13.35 O ATOM 107 CB THR A 9 17.273 2.148 -9.398 1.00 12.11 C ATOM 108 OG1 THR A 9 16.898 0.926 -10.042 1.00 62.54 O ATOM 109 CG2 THR A 9 18.788 2.223 -9.282 1.00 52.04 C ATOM 0 HA THR A 9 17.013 1.445 -7.374 1.00 44.50 H new ATOM 0 HB THR A 9 16.929 2.993 -9.994 1.00 12.11 H new ATOM 0 HG1 THR A 9 15.995 0.671 -9.760 1.00 62.54 H new ATOM 0 HG21 THR A 9 19.233 2.160 -10.275 1.00 52.04 H new ATOM 0 HG22 THR A 9 19.071 3.168 -8.817 1.00 52.04 H new ATOM 0 HG23 THR A 9 19.147 1.396 -8.670 1.00 52.04 H new ATOM 117 N VAL A 10 18.064 3.668 -6.697 1.00 23.10 N ATOM 118 CA VAL A 10 18.487 4.908 -6.057 1.00 54.35 C ATOM 119 C VAL A 10 19.816 5.393 -6.624 1.00 4.44 C ATOM 120 O VAL A 10 20.626 4.600 -7.104 1.00 33.33 O ATOM 121 CB VAL A 10 18.623 4.736 -4.533 1.00 34.30 C ATOM 122 CG1 VAL A 10 18.788 6.087 -3.855 1.00 42.21 C ATOM 123 CG2 VAL A 10 17.420 3.992 -3.972 1.00 13.40 C ATOM 0 H VAL A 10 18.704 2.885 -6.564 1.00 23.10 H new ATOM 0 HA VAL A 10 17.715 5.650 -6.263 1.00 54.35 H new ATOM 0 HB VAL A 10 19.515 4.144 -4.330 1.00 34.30 H new ATOM 0 HG11 VAL A 10 18.883 5.945 -2.778 1.00 42.21 H new ATOM 0 HG12 VAL A 10 19.683 6.578 -4.236 1.00 42.21 H new ATOM 0 HG13 VAL A 10 17.917 6.708 -4.064 1.00 42.21 H new ATOM 0 HG21 VAL A 10 17.532 3.879 -2.894 1.00 13.40 H new ATOM 0 HG22 VAL A 10 16.512 4.556 -4.185 1.00 13.40 H new ATOM 0 HG23 VAL A 10 17.353 3.007 -4.435 1.00 13.40 H new ATOM 133 N VAL A 11 20.036 6.703 -6.564 1.00 24.04 N ATOM 134 CA VAL A 11 21.269 7.295 -7.069 1.00 3.02 C ATOM 135 C VAL A 11 21.898 8.222 -6.035 1.00 13.24 C ATOM 136 O VAL A 11 21.197 8.840 -5.233 1.00 15.21 O ATOM 137 CB VAL A 11 21.021 8.085 -8.367 1.00 44.34 C ATOM 138 CG1 VAL A 11 20.614 7.148 -9.494 1.00 31.23 C ATOM 139 CG2 VAL A 11 19.964 9.156 -8.145 1.00 41.32 C ATOM 0 H VAL A 11 19.376 7.374 -6.171 1.00 24.04 H new ATOM 0 HA VAL A 11 21.953 6.472 -7.278 1.00 3.02 H new ATOM 0 HB VAL A 11 21.950 8.578 -8.655 1.00 44.34 H new ATOM 0 HG11 VAL A 11 20.443 7.725 -10.403 1.00 31.23 H new ATOM 0 HG12 VAL A 11 21.408 6.422 -9.669 1.00 31.23 H new ATOM 0 HG13 VAL A 11 19.698 6.624 -9.219 1.00 31.23 H new ATOM 0 HG21 VAL A 11 19.801 9.705 -9.073 1.00 41.32 H new ATOM 0 HG22 VAL A 11 19.031 8.687 -7.832 1.00 41.32 H new ATOM 0 HG23 VAL A 11 20.301 9.845 -7.370 1.00 41.32 H new ATOM 149 N ILE A 12 23.223 8.315 -6.059 1.00 30.21 N ATOM 150 CA ILE A 12 23.946 9.168 -5.124 1.00 51.22 C ATOM 151 C ILE A 12 24.511 10.398 -5.827 1.00 23.21 C ATOM 152 O ILE A 12 25.098 10.295 -6.904 1.00 21.13 O ATOM 153 CB ILE A 12 25.097 8.406 -4.441 1.00 41.52 C ATOM 154 CG1 ILE A 12 24.695 6.952 -4.186 1.00 11.51 C ATOM 155 CG2 ILE A 12 25.486 9.091 -3.139 1.00 72.41 C ATOM 156 CD1 ILE A 12 25.751 6.153 -3.455 1.00 34.10 C ATOM 0 H ILE A 12 23.818 7.810 -6.716 1.00 30.21 H new ATOM 0 HA ILE A 12 23.230 9.483 -4.365 1.00 51.22 H new ATOM 0 HB ILE A 12 25.962 8.412 -5.104 1.00 41.52 H new ATOM 0 HG12 ILE A 12 23.772 6.935 -3.607 1.00 11.51 H new ATOM 0 HG13 ILE A 12 24.481 6.470 -5.140 1.00 11.51 H new ATOM 0 HG21 ILE A 12 26.301 8.541 -2.668 1.00 72.41 H new ATOM 0 HG22 ILE A 12 25.809 10.111 -3.347 1.00 72.41 H new ATOM 0 HG23 ILE A 12 24.627 9.112 -2.468 1.00 72.41 H new ATOM 0 HD11 ILE A 12 25.398 5.132 -3.309 1.00 34.10 H new ATOM 0 HD12 ILE A 12 26.669 6.139 -4.043 1.00 34.10 H new ATOM 0 HD13 ILE A 12 25.948 6.611 -2.486 1.00 34.10 H new ATOM 168 N ALA A 13 24.332 11.561 -5.209 1.00 33.41 N ATOM 169 CA ALA A 13 24.827 12.810 -5.773 1.00 23.11 C ATOM 170 C ALA A 13 26.343 12.910 -5.638 1.00 11.32 C ATOM 171 O ALA A 13 26.896 12.699 -4.557 1.00 55.43 O ATOM 172 CB ALA A 13 24.156 13.997 -5.098 1.00 74.31 C ATOM 0 H ALA A 13 23.848 11.664 -4.317 1.00 33.41 H new ATOM 0 HA ALA A 13 24.581 12.823 -6.835 1.00 23.11 H new ATOM 0 HB1 ALA A 13 24.536 14.923 -5.529 1.00 74.31 H new ATOM 0 HB2 ALA A 13 23.078 13.941 -5.250 1.00 74.31 H new ATOM 0 HB3 ALA A 13 24.373 13.979 -4.030 1.00 74.31 H new ATOM 178 N LEU A 14 27.010 13.233 -6.740 1.00 63.43 N ATOM 179 CA LEU A 14 28.463 13.360 -6.745 1.00 45.31 C ATOM 180 C LEU A 14 28.885 14.792 -6.431 1.00 23.03 C ATOM 181 O LEU A 14 29.938 15.023 -5.835 1.00 40.25 O ATOM 182 CB LEU A 14 29.028 12.937 -8.102 1.00 72.43 C ATOM 183 CG LEU A 14 28.472 11.636 -8.684 1.00 51.30 C ATOM 184 CD1 LEU A 14 28.711 11.578 -10.185 1.00 22.33 C ATOM 185 CD2 LEU A 14 29.098 10.433 -7.995 1.00 24.12 C ATOM 0 H LEU A 14 26.568 13.412 -7.642 1.00 63.43 H new ATOM 0 HA LEU A 14 28.863 12.704 -5.972 1.00 45.31 H new ATOM 0 HB2 LEU A 14 28.843 13.739 -8.816 1.00 72.43 H new ATOM 0 HB3 LEU A 14 30.109 12.837 -8.008 1.00 72.43 H new ATOM 0 HG LEU A 14 27.397 11.611 -8.507 1.00 51.30 H new ATOM 0 HD11 LEU A 14 28.309 10.646 -10.582 1.00 22.33 H new ATOM 0 HD12 LEU A 14 28.214 12.421 -10.665 1.00 22.33 H new ATOM 0 HD13 LEU A 14 29.781 11.626 -10.385 1.00 22.33 H new ATOM 0 HD21 LEU A 14 28.691 9.517 -8.422 1.00 24.12 H new ATOM 0 HD22 LEU A 14 30.178 10.452 -8.140 1.00 24.12 H new ATOM 0 HD23 LEU A 14 28.874 10.467 -6.929 1.00 24.12 H new ATOM 197 N TYR A 15 28.056 15.749 -6.832 1.00 44.04 N ATOM 198 CA TYR A 15 28.343 17.159 -6.594 1.00 24.52 C ATOM 199 C TYR A 15 27.054 17.953 -6.405 1.00 64.35 C ATOM 200 O TYR A 15 26.000 17.576 -6.916 1.00 74.15 O ATOM 201 CB TYR A 15 29.149 17.741 -7.757 1.00 31.45 C ATOM 202 CG TYR A 15 30.355 16.910 -8.133 1.00 72.15 C ATOM 203 CD1 TYR A 15 30.251 15.879 -9.060 1.00 12.42 C ATOM 204 CD2 TYR A 15 31.598 17.155 -7.563 1.00 33.31 C ATOM 205 CE1 TYR A 15 31.350 15.117 -9.407 1.00 14.32 C ATOM 206 CE2 TYR A 15 32.702 16.399 -7.905 1.00 61.20 C ATOM 207 CZ TYR A 15 32.573 15.381 -8.827 1.00 40.22 C ATOM 208 OH TYR A 15 33.671 14.625 -9.170 1.00 35.04 O ATOM 0 H TYR A 15 27.179 15.574 -7.324 1.00 44.04 H new ATOM 0 HA TYR A 15 28.932 17.234 -5.680 1.00 24.52 H new ATOM 0 HB2 TYR A 15 28.499 17.837 -8.627 1.00 31.45 H new ATOM 0 HB3 TYR A 15 29.479 18.746 -7.493 1.00 31.45 H new ATOM 0 HD1 TYR A 15 29.295 15.670 -9.517 1.00 12.42 H new ATOM 0 HD2 TYR A 15 31.703 17.950 -6.840 1.00 33.31 H new ATOM 0 HE1 TYR A 15 31.252 14.319 -10.128 1.00 14.32 H new ATOM 0 HE2 TYR A 15 33.661 16.604 -7.453 1.00 61.20 H new ATOM 0 HH TYR A 15 34.454 14.941 -8.673 1.00 35.04 H new ATOM 218 N ASP A 16 27.148 19.054 -5.669 1.00 4.21 N ATOM 219 CA ASP A 16 25.991 19.904 -5.413 1.00 43.14 C ATOM 220 C ASP A 16 25.515 20.575 -6.698 1.00 64.23 C ATOM 221 O ASP A 16 25.958 21.672 -7.038 1.00 52.42 O ATOM 222 CB ASP A 16 26.332 20.965 -4.366 1.00 4.02 C ATOM 223 CG ASP A 16 27.640 21.672 -4.662 1.00 43.03 C ATOM 224 OD1 ASP A 16 28.701 21.153 -4.256 1.00 2.24 O ATOM 225 OD2 ASP A 16 27.603 22.744 -5.302 1.00 21.22 O ATOM 0 H ASP A 16 28.014 19.379 -5.239 1.00 4.21 H new ATOM 0 HA ASP A 16 25.186 19.275 -5.033 1.00 43.14 H new ATOM 0 HB2 ASP A 16 25.528 21.699 -4.322 1.00 4.02 H new ATOM 0 HB3 ASP A 16 26.390 20.496 -3.384 1.00 4.02 H new ATOM 230 N TYR A 17 24.613 19.907 -7.408 1.00 53.54 N ATOM 231 CA TYR A 17 24.079 20.437 -8.658 1.00 4.12 C ATOM 232 C TYR A 17 23.075 21.554 -8.391 1.00 40.23 C ATOM 233 O TYR A 17 22.378 21.547 -7.377 1.00 41.20 O ATOM 234 CB TYR A 17 23.416 19.322 -9.467 1.00 35.41 C ATOM 235 CG TYR A 17 22.703 19.814 -10.706 1.00 51.21 C ATOM 236 CD1 TYR A 17 23.418 20.247 -11.816 1.00 54.04 C ATOM 237 CD2 TYR A 17 21.315 19.848 -10.767 1.00 23.15 C ATOM 238 CE1 TYR A 17 22.771 20.699 -12.951 1.00 30.44 C ATOM 239 CE2 TYR A 17 20.660 20.296 -11.897 1.00 43.40 C ATOM 240 CZ TYR A 17 21.392 20.721 -12.986 1.00 63.12 C ATOM 241 OH TYR A 17 20.744 21.170 -14.114 1.00 35.23 O ATOM 0 H TYR A 17 24.236 18.998 -7.140 1.00 53.54 H new ATOM 0 HA TYR A 17 24.909 20.849 -9.233 1.00 4.12 H new ATOM 0 HB2 TYR A 17 24.175 18.596 -9.759 1.00 35.41 H new ATOM 0 HB3 TYR A 17 22.702 18.799 -8.831 1.00 35.41 H new ATOM 0 HD1 TYR A 17 24.498 20.230 -11.792 1.00 54.04 H new ATOM 0 HD2 TYR A 17 20.738 19.518 -9.915 1.00 23.15 H new ATOM 0 HE1 TYR A 17 23.342 21.033 -13.805 1.00 30.44 H new ATOM 0 HE2 TYR A 17 19.581 20.314 -11.928 1.00 43.40 H new ATOM 0 HH TYR A 17 19.775 21.120 -13.976 1.00 35.23 H new ATOM 251 N GLN A 18 23.007 22.512 -9.310 1.00 64.14 N ATOM 252 CA GLN A 18 22.089 23.636 -9.175 1.00 52.13 C ATOM 253 C GLN A 18 21.395 23.935 -10.500 1.00 62.44 C ATOM 254 O GLN A 18 22.049 24.134 -11.525 1.00 13.41 O ATOM 255 CB GLN A 18 22.837 24.878 -8.687 1.00 20.43 C ATOM 256 CG GLN A 18 23.004 24.932 -7.177 1.00 2.22 C ATOM 257 CD GLN A 18 23.421 26.304 -6.685 1.00 0.30 C ATOM 258 OE1 GLN A 18 22.722 27.294 -6.904 1.00 33.21 O ATOM 259 NE2 GLN A 18 24.566 26.371 -6.016 1.00 30.03 N ATOM 0 H GLN A 18 23.577 22.532 -10.156 1.00 64.14 H new ATOM 0 HA GLN A 18 21.330 23.365 -8.441 1.00 52.13 H new ATOM 0 HB2 GLN A 18 23.821 24.907 -9.155 1.00 20.43 H new ATOM 0 HB3 GLN A 18 22.301 25.768 -9.017 1.00 20.43 H new ATOM 0 HG2 GLN A 18 22.065 24.649 -6.701 1.00 2.22 H new ATOM 0 HG3 GLN A 18 23.750 24.198 -6.871 1.00 2.22 H new ATOM 0 HE21 GLN A 18 25.114 25.526 -5.857 1.00 30.03 H new ATOM 0 HE22 GLN A 18 24.898 27.268 -5.661 1.00 30.03 H new ATOM 268 N THR A 19 20.066 23.963 -10.474 1.00 3.20 N ATOM 269 CA THR A 19 19.284 24.236 -11.673 1.00 33.41 C ATOM 270 C THR A 19 18.965 25.721 -11.796 1.00 4.31 C ATOM 271 O THR A 19 19.046 26.466 -10.820 1.00 20.31 O ATOM 272 CB THR A 19 17.966 23.438 -11.677 1.00 30.11 C ATOM 273 OG1 THR A 19 17.169 23.814 -12.805 1.00 52.52 O ATOM 274 CG2 THR A 19 17.184 23.678 -10.394 1.00 61.03 C ATOM 0 H THR A 19 19.509 23.800 -9.635 1.00 3.20 H new ATOM 0 HA THR A 19 19.891 23.926 -12.523 1.00 33.41 H new ATOM 0 HB THR A 19 18.209 22.378 -11.742 1.00 30.11 H new ATOM 0 HG1 THR A 19 16.299 24.141 -12.496 1.00 52.52 H new ATOM 0 HG21 THR A 19 16.258 23.104 -10.420 1.00 61.03 H new ATOM 0 HG22 THR A 19 17.782 23.363 -9.539 1.00 61.03 H new ATOM 0 HG23 THR A 19 16.951 24.739 -10.303 1.00 61.03 H new ATOM 282 N ASN A 20 18.603 26.146 -13.002 1.00 12.10 N ATOM 283 CA ASN A 20 18.272 27.544 -13.252 1.00 51.32 C ATOM 284 C ASN A 20 16.761 27.757 -13.235 1.00 42.25 C ATOM 285 O ASN A 20 16.282 28.857 -12.957 1.00 60.43 O ATOM 286 CB ASN A 20 18.847 27.993 -14.597 1.00 54.23 C ATOM 287 CG ASN A 20 18.485 29.428 -14.931 1.00 30.33 C ATOM 288 OD1 ASN A 20 17.779 29.691 -15.904 1.00 15.31 O ATOM 289 ND2 ASN A 20 18.970 30.363 -14.122 1.00 53.02 N ATOM 0 H ASN A 20 18.531 25.543 -13.821 1.00 12.10 H new ATOM 0 HA ASN A 20 18.714 28.144 -12.457 1.00 51.32 H new ATOM 0 HB2 ASN A 20 19.932 27.890 -14.578 1.00 54.23 H new ATOM 0 HB3 ASN A 20 18.478 27.336 -15.384 1.00 54.23 H new ATOM 0 HD21 ASN A 20 18.761 31.346 -14.296 1.00 53.02 H new ATOM 0 HD22 ASN A 20 19.551 30.098 -13.327 1.00 53.02 H new ATOM 296 N ASP A 21 16.017 26.698 -13.534 1.00 51.34 N ATOM 297 CA ASP A 21 14.560 26.768 -13.552 1.00 43.02 C ATOM 298 C ASP A 21 13.956 25.766 -12.574 1.00 23.25 C ATOM 299 O ASP A 21 14.598 24.800 -12.161 1.00 64.41 O ATOM 300 CB ASP A 21 14.033 26.503 -14.963 1.00 50.12 C ATOM 301 CG ASP A 21 13.960 27.765 -15.800 1.00 61.15 C ATOM 302 OD1 ASP A 21 14.765 28.687 -15.554 1.00 51.12 O ATOM 303 OD2 ASP A 21 13.098 27.831 -16.701 1.00 75.55 O ATOM 0 H ASP A 21 16.398 25.781 -13.767 1.00 51.34 H new ATOM 0 HA ASP A 21 14.265 27.771 -13.245 1.00 43.02 H new ATOM 0 HB2 ASP A 21 14.679 25.778 -15.459 1.00 50.12 H new ATOM 0 HB3 ASP A 21 13.041 26.055 -14.899 1.00 50.12 H new ATOM 308 N PRO A 22 12.692 26.000 -12.191 1.00 62.21 N ATOM 309 CA PRO A 22 11.974 25.129 -11.256 1.00 30.11 C ATOM 310 C PRO A 22 11.642 23.772 -11.866 1.00 74.34 C ATOM 311 O PRO A 22 11.316 22.824 -11.153 1.00 32.35 O ATOM 312 CB PRO A 22 10.692 25.910 -10.958 1.00 35.32 C ATOM 313 CG PRO A 22 10.490 26.778 -12.152 1.00 21.52 C ATOM 314 CD PRO A 22 11.866 27.132 -12.643 1.00 5.33 C ATOM 0 HA PRO A 22 12.568 24.904 -10.370 1.00 30.11 H new ATOM 0 HB2 PRO A 22 9.846 25.239 -10.809 1.00 35.32 H new ATOM 0 HB3 PRO A 22 10.792 26.504 -10.049 1.00 35.32 H new ATOM 0 HG2 PRO A 22 9.923 26.256 -12.923 1.00 21.52 H new ATOM 0 HG3 PRO A 22 9.926 27.674 -11.893 1.00 21.52 H new ATOM 0 HD2 PRO A 22 11.890 27.239 -13.727 1.00 5.33 H new ATOM 0 HD3 PRO A 22 12.212 28.076 -12.222 1.00 5.33 H new ATOM 322 N GLN A 23 11.727 23.687 -13.190 1.00 74.50 N ATOM 323 CA GLN A 23 11.434 22.444 -13.895 1.00 43.34 C ATOM 324 C GLN A 23 12.359 21.324 -13.431 1.00 41.01 C ATOM 325 O GLN A 23 11.937 20.177 -13.290 1.00 71.13 O ATOM 326 CB GLN A 23 11.575 22.645 -15.405 1.00 41.33 C ATOM 327 CG GLN A 23 10.729 21.687 -16.228 1.00 62.10 C ATOM 328 CD GLN A 23 9.365 22.255 -16.566 1.00 41.41 C ATOM 329 OE1 GLN A 23 8.553 22.521 -15.679 1.00 43.02 O ATOM 330 NE2 GLN A 23 9.105 22.446 -17.854 1.00 65.34 N ATOM 0 H GLN A 23 11.996 24.463 -13.795 1.00 74.50 H new ATOM 0 HA GLN A 23 10.407 22.160 -13.667 1.00 43.34 H new ATOM 0 HB2 GLN A 23 11.296 23.669 -15.654 1.00 41.33 H new ATOM 0 HB3 GLN A 23 12.622 22.523 -15.683 1.00 41.33 H new ATOM 0 HG2 GLN A 23 11.256 21.444 -17.151 1.00 62.10 H new ATOM 0 HG3 GLN A 23 10.604 20.755 -15.678 1.00 62.10 H new ATOM 0 HE21 GLN A 23 9.807 22.212 -18.556 1.00 65.34 H new ATOM 0 HE22 GLN A 23 8.203 22.827 -18.141 1.00 65.34 H new ATOM 339 N GLU A 24 13.622 21.665 -13.196 1.00 2.35 N ATOM 340 CA GLU A 24 14.606 20.687 -12.748 1.00 64.23 C ATOM 341 C GLU A 24 14.886 20.840 -11.256 1.00 22.50 C ATOM 342 O GLU A 24 14.574 21.869 -10.656 1.00 54.02 O ATOM 343 CB GLU A 24 15.907 20.840 -13.540 1.00 74.44 C ATOM 344 CG GLU A 24 15.690 21.122 -15.017 1.00 52.35 C ATOM 345 CD GLU A 24 16.607 20.307 -15.908 1.00 60.02 C ATOM 346 OE1 GLU A 24 16.593 19.064 -15.796 1.00 33.52 O ATOM 347 OE2 GLU A 24 17.339 20.913 -16.718 1.00 41.43 O ATOM 0 H GLU A 24 13.988 22.611 -13.308 1.00 2.35 H new ATOM 0 HA GLU A 24 14.197 19.692 -12.923 1.00 64.23 H new ATOM 0 HB2 GLU A 24 16.494 21.650 -13.106 1.00 74.44 H new ATOM 0 HB3 GLU A 24 16.496 19.929 -13.435 1.00 74.44 H new ATOM 0 HG2 GLU A 24 14.653 20.907 -15.276 1.00 52.35 H new ATOM 0 HG3 GLU A 24 15.853 22.183 -15.208 1.00 52.35 H new ATOM 354 N LEU A 25 15.476 19.808 -10.662 1.00 43.13 N ATOM 355 CA LEU A 25 15.799 19.826 -9.240 1.00 35.14 C ATOM 356 C LEU A 25 17.301 19.978 -9.023 1.00 53.23 C ATOM 357 O LEU A 25 18.085 19.899 -9.968 1.00 50.13 O ATOM 358 CB LEU A 25 15.302 18.544 -8.568 1.00 44.21 C ATOM 359 CG LEU A 25 14.225 18.721 -7.498 1.00 33.02 C ATOM 360 CD1 LEU A 25 13.039 19.493 -8.056 1.00 44.02 C ATOM 361 CD2 LEU A 25 13.778 17.368 -6.962 1.00 40.42 C ATOM 0 H LEU A 25 15.740 18.948 -11.143 1.00 43.13 H new ATOM 0 HA LEU A 25 15.298 20.683 -8.790 1.00 35.14 H new ATOM 0 HB2 LEU A 25 14.913 17.880 -9.340 1.00 44.21 H new ATOM 0 HB3 LEU A 25 16.156 18.040 -8.115 1.00 44.21 H new ATOM 0 HG LEU A 25 14.650 19.294 -6.674 1.00 33.02 H new ATOM 0 HD11 LEU A 25 12.283 19.609 -7.280 1.00 44.02 H new ATOM 0 HD12 LEU A 25 13.370 20.476 -8.390 1.00 44.02 H new ATOM 0 HD13 LEU A 25 12.614 18.948 -8.898 1.00 44.02 H new ATOM 0 HD21 LEU A 25 13.011 17.513 -6.201 1.00 40.42 H new ATOM 0 HD22 LEU A 25 13.371 16.770 -7.777 1.00 40.42 H new ATOM 0 HD23 LEU A 25 14.631 16.851 -6.523 1.00 40.42 H new ATOM 373 N ALA A 26 17.694 20.195 -7.773 1.00 23.04 N ATOM 374 CA ALA A 26 19.102 20.354 -7.431 1.00 65.25 C ATOM 375 C ALA A 26 19.612 19.158 -6.634 1.00 3.42 C ATOM 376 O ALA A 26 18.870 18.554 -5.859 1.00 0.04 O ATOM 377 CB ALA A 26 19.314 21.642 -6.649 1.00 61.34 C ATOM 0 H ALA A 26 17.057 20.265 -6.980 1.00 23.04 H new ATOM 0 HA ALA A 26 19.671 20.408 -8.359 1.00 65.25 H new ATOM 0 HB1 ALA A 26 20.370 21.747 -6.401 1.00 61.34 H new ATOM 0 HB2 ALA A 26 18.997 22.491 -7.254 1.00 61.34 H new ATOM 0 HB3 ALA A 26 18.727 21.611 -5.731 1.00 61.34 H new ATOM 383 N LEU A 27 20.882 18.821 -6.829 1.00 4.43 N ATOM 384 CA LEU A 27 21.492 17.697 -6.127 1.00 71.34 C ATOM 385 C LEU A 27 22.399 18.184 -5.002 1.00 33.32 C ATOM 386 O LEU A 27 22.900 19.308 -5.037 1.00 75.21 O ATOM 387 CB LEU A 27 22.292 16.834 -7.105 1.00 33.31 C ATOM 388 CG LEU A 27 21.521 16.295 -8.311 1.00 12.24 C ATOM 389 CD1 LEU A 27 22.478 15.917 -9.431 1.00 13.25 C ATOM 390 CD2 LEU A 27 20.669 15.100 -7.908 1.00 51.14 C ATOM 0 H LEU A 27 21.510 19.310 -7.467 1.00 4.43 H new ATOM 0 HA LEU A 27 20.694 17.097 -5.690 1.00 71.34 H new ATOM 0 HB2 LEU A 27 23.135 17.421 -7.471 1.00 33.31 H new ATOM 0 HB3 LEU A 27 22.707 15.988 -6.557 1.00 33.31 H new ATOM 0 HG LEU A 27 20.860 17.081 -8.676 1.00 12.24 H new ATOM 0 HD11 LEU A 27 21.911 15.536 -10.280 1.00 13.25 H new ATOM 0 HD12 LEU A 27 23.044 16.796 -9.738 1.00 13.25 H new ATOM 0 HD13 LEU A 27 23.165 15.148 -9.078 1.00 13.25 H new ATOM 0 HD21 LEU A 27 20.127 14.729 -8.778 1.00 51.14 H new ATOM 0 HD22 LEU A 27 21.311 14.311 -7.517 1.00 51.14 H new ATOM 0 HD23 LEU A 27 19.958 15.403 -7.140 1.00 51.14 H new ATOM 402 N ARG A 28 22.607 17.329 -4.005 1.00 41.52 N ATOM 403 CA ARG A 28 23.455 17.672 -2.870 1.00 14.44 C ATOM 404 C ARG A 28 24.534 16.615 -2.658 1.00 43.11 C ATOM 405 O ARG A 28 24.242 15.421 -2.587 1.00 43.22 O ATOM 406 CB ARG A 28 22.611 17.816 -1.602 1.00 1.25 C ATOM 407 CG ARG A 28 21.858 19.134 -1.517 1.00 70.31 C ATOM 408 CD ARG A 28 22.796 20.294 -1.222 1.00 61.34 C ATOM 409 NE ARG A 28 22.069 21.509 -0.866 1.00 33.23 N ATOM 410 CZ ARG A 28 22.625 22.715 -0.831 1.00 32.35 C ATOM 411 NH1 ARG A 28 23.908 22.866 -1.129 1.00 73.42 N ATOM 412 NH2 ARG A 28 21.897 23.773 -0.496 1.00 61.25 N ATOM 0 H ARG A 28 22.200 16.395 -3.961 1.00 41.52 H new ATOM 0 HA ARG A 28 23.941 18.624 -3.086 1.00 14.44 H new ATOM 0 HB2 ARG A 28 21.895 16.995 -1.557 1.00 1.25 H new ATOM 0 HB3 ARG A 28 23.260 17.721 -0.731 1.00 1.25 H new ATOM 0 HG2 ARG A 28 21.336 19.317 -2.456 1.00 70.31 H new ATOM 0 HG3 ARG A 28 21.099 19.071 -0.737 1.00 70.31 H new ATOM 0 HD2 ARG A 28 23.466 20.020 -0.407 1.00 61.34 H new ATOM 0 HD3 ARG A 28 23.419 20.487 -2.095 1.00 61.34 H new ATOM 0 HE ARG A 28 21.080 21.427 -0.631 1.00 33.23 H new ATOM 0 HH11 ARG A 28 24.471 22.055 -1.386 1.00 73.42 H new ATOM 0 HH12 ARG A 28 24.332 23.793 -1.101 1.00 73.42 H new ATOM 0 HH21 ARG A 28 20.910 23.660 -0.265 1.00 61.25 H new ATOM 0 HH22 ARG A 28 22.325 24.699 -0.469 1.00 61.25 H new ATOM 426 N ARG A 29 25.782 17.062 -2.559 1.00 12.33 N ATOM 427 CA ARG A 29 26.905 16.155 -2.357 1.00 71.22 C ATOM 428 C ARG A 29 26.626 15.192 -1.207 1.00 22.31 C ATOM 429 O ARG A 29 26.185 15.602 -0.134 1.00 74.24 O ATOM 430 CB ARG A 29 28.183 16.946 -2.075 1.00 44.24 C ATOM 431 CG ARG A 29 29.457 16.176 -2.385 1.00 51.51 C ATOM 432 CD ARG A 29 30.680 16.864 -1.798 1.00 71.05 C ATOM 433 NE ARG A 29 31.746 15.915 -1.491 1.00 23.14 N ATOM 434 CZ ARG A 29 32.977 16.278 -1.147 1.00 41.24 C ATOM 435 NH1 ARG A 29 33.295 17.563 -1.068 1.00 52.04 N ATOM 436 NH2 ARG A 29 33.893 15.355 -0.882 1.00 11.40 N ATOM 0 H ARG A 29 26.040 18.047 -2.615 1.00 12.33 H new ATOM 0 HA ARG A 29 27.039 15.575 -3.270 1.00 71.22 H new ATOM 0 HB2 ARG A 29 28.170 17.863 -2.664 1.00 44.24 H new ATOM 0 HB3 ARG A 29 28.193 17.241 -1.026 1.00 44.24 H new ATOM 0 HG2 ARG A 29 29.379 15.165 -1.984 1.00 51.51 H new ATOM 0 HG3 ARG A 29 29.574 16.083 -3.465 1.00 51.51 H new ATOM 0 HD2 ARG A 29 31.050 17.609 -2.502 1.00 71.05 H new ATOM 0 HD3 ARG A 29 30.396 17.396 -0.890 1.00 71.05 H new ATOM 0 HE ARG A 29 31.534 14.919 -1.543 1.00 23.14 H new ATOM 0 HH11 ARG A 29 32.594 18.275 -1.272 1.00 52.04 H new ATOM 0 HH12 ARG A 29 34.241 17.839 -0.804 1.00 52.04 H new ATOM 0 HH21 ARG A 29 33.652 14.366 -0.942 1.00 11.40 H new ATOM 0 HH22 ARG A 29 34.838 15.635 -0.618 1.00 11.40 H new ATOM 450 N ASN A 30 26.887 13.909 -1.439 1.00 51.32 N ATOM 451 CA ASN A 30 26.663 12.888 -0.423 1.00 20.41 C ATOM 452 C ASN A 30 25.182 12.785 -0.072 1.00 32.30 C ATOM 453 O ASN A 30 24.803 12.879 1.095 1.00 71.11 O ATOM 454 CB ASN A 30 27.476 13.203 0.834 1.00 32.45 C ATOM 455 CG ASN A 30 27.770 11.964 1.659 1.00 75.15 C ATOM 456 OD1 ASN A 30 28.157 10.925 1.122 1.00 14.53 O ATOM 457 ND2 ASN A 30 27.586 12.068 2.970 1.00 51.35 N ATOM 0 H ASN A 30 27.254 13.553 -2.322 1.00 51.32 H new ATOM 0 HA ASN A 30 26.989 11.930 -0.828 1.00 20.41 H new ATOM 0 HB2 ASN A 30 28.415 13.676 0.547 1.00 32.45 H new ATOM 0 HB3 ASN A 30 26.931 13.922 1.445 1.00 32.45 H new ATOM 0 HD21 ASN A 30 27.767 11.267 3.575 1.00 51.35 H new ATOM 0 HD22 ASN A 30 27.264 12.949 3.372 1.00 51.35 H new ATOM 464 N GLU A 31 24.350 12.590 -1.091 1.00 10.34 N ATOM 465 CA GLU A 31 22.910 12.475 -0.889 1.00 64.10 C ATOM 466 C GLU A 31 22.312 11.430 -1.826 1.00 52.03 C ATOM 467 O GLU A 31 22.793 11.235 -2.942 1.00 32.31 O ATOM 468 CB GLU A 31 22.231 13.827 -1.115 1.00 3.31 C ATOM 469 CG GLU A 31 20.862 13.937 -0.466 1.00 32.40 C ATOM 470 CD GLU A 31 20.942 14.202 1.025 1.00 41.43 C ATOM 471 OE1 GLU A 31 22.028 14.000 1.606 1.00 22.15 O ATOM 472 OE2 GLU A 31 19.918 14.614 1.609 1.00 32.54 O ATOM 0 H GLU A 31 24.648 12.508 -2.063 1.00 10.34 H new ATOM 0 HA GLU A 31 22.737 12.158 0.139 1.00 64.10 H new ATOM 0 HB2 GLU A 31 22.873 14.616 -0.724 1.00 3.31 H new ATOM 0 HB3 GLU A 31 22.131 13.999 -2.187 1.00 3.31 H new ATOM 0 HG2 GLU A 31 20.301 14.740 -0.944 1.00 32.40 H new ATOM 0 HG3 GLU A 31 20.308 13.014 -0.638 1.00 32.40 H new ATOM 479 N GLU A 32 21.260 10.762 -1.363 1.00 61.55 N ATOM 480 CA GLU A 32 20.597 9.736 -2.160 1.00 30.32 C ATOM 481 C GLU A 32 19.307 10.272 -2.773 1.00 14.32 C ATOM 482 O GLU A 32 18.649 11.142 -2.200 1.00 63.22 O ATOM 483 CB GLU A 32 20.293 8.507 -1.299 1.00 45.43 C ATOM 484 CG GLU A 32 21.393 7.459 -1.327 1.00 34.45 C ATOM 485 CD GLU A 32 21.423 6.613 -0.068 1.00 71.44 C ATOM 486 OE1 GLU A 32 21.856 7.128 0.983 1.00 34.24 O ATOM 487 OE2 GLU A 32 21.013 5.435 -0.136 1.00 62.33 O ATOM 0 H GLU A 32 20.849 10.912 -0.442 1.00 61.55 H new ATOM 0 HA GLU A 32 21.270 9.448 -2.967 1.00 30.32 H new ATOM 0 HB2 GLU A 32 20.132 8.826 -0.269 1.00 45.43 H new ATOM 0 HB3 GLU A 32 19.362 8.055 -1.642 1.00 45.43 H new ATOM 0 HG2 GLU A 32 21.251 6.812 -2.192 1.00 34.45 H new ATOM 0 HG3 GLU A 32 22.357 7.952 -1.452 1.00 34.45 H new ATOM 494 N TYR A 33 18.951 9.748 -3.940 1.00 52.23 N ATOM 495 CA TYR A 33 17.741 10.176 -4.633 1.00 63.13 C ATOM 496 C TYR A 33 17.012 8.983 -5.244 1.00 24.33 C ATOM 497 O TYR A 33 17.615 8.159 -5.933 1.00 24.02 O ATOM 498 CB TYR A 33 18.086 11.191 -5.725 1.00 35.50 C ATOM 499 CG TYR A 33 18.640 12.491 -5.190 1.00 12.44 C ATOM 500 CD1 TYR A 33 17.793 13.497 -4.738 1.00 70.55 C ATOM 501 CD2 TYR A 33 20.010 12.716 -5.136 1.00 32.03 C ATOM 502 CE1 TYR A 33 18.295 14.687 -4.249 1.00 53.11 C ATOM 503 CE2 TYR A 33 20.520 13.903 -4.647 1.00 24.34 C ATOM 504 CZ TYR A 33 19.659 14.885 -4.205 1.00 10.22 C ATOM 505 OH TYR A 33 20.164 16.069 -3.718 1.00 54.32 O ATOM 0 H TYR A 33 19.483 9.026 -4.426 1.00 52.23 H new ATOM 0 HA TYR A 33 17.082 10.646 -3.903 1.00 63.13 H new ATOM 0 HB2 TYR A 33 18.814 10.748 -6.404 1.00 35.50 H new ATOM 0 HB3 TYR A 33 17.191 11.401 -6.310 1.00 35.50 H new ATOM 0 HD1 TYR A 33 16.724 13.345 -4.770 1.00 70.55 H new ATOM 0 HD2 TYR A 33 20.688 11.950 -5.482 1.00 32.03 H new ATOM 0 HE1 TYR A 33 17.623 15.458 -3.903 1.00 53.11 H new ATOM 0 HE2 TYR A 33 21.588 14.061 -4.611 1.00 24.34 H new ATOM 0 HH TYR A 33 20.457 15.943 -2.791 1.00 54.32 H new ATOM 515 N CYS A 34 15.712 8.898 -4.986 1.00 61.52 N ATOM 516 CA CYS A 34 14.899 7.806 -5.510 1.00 30.54 C ATOM 517 C CYS A 34 14.667 7.970 -7.008 1.00 42.00 C ATOM 518 O CYS A 34 13.880 8.815 -7.436 1.00 71.04 O ATOM 519 CB CYS A 34 13.558 7.745 -4.777 1.00 73.44 C ATOM 520 SG CYS A 34 13.514 6.558 -3.414 1.00 60.52 S ATOM 0 H CYS A 34 15.198 9.571 -4.418 1.00 61.52 H new ATOM 0 HA CYS A 34 15.438 6.873 -5.345 1.00 30.54 H new ATOM 0 HB2 CYS A 34 13.323 8.736 -4.389 1.00 73.44 H new ATOM 0 HB3 CYS A 34 12.776 7.489 -5.493 1.00 73.44 H new ATOM 0 HG CYS A 34 12.340 6.582 -2.856 1.00 60.52 H new ATOM 526 N LEU A 35 15.359 7.159 -7.801 1.00 34.33 N ATOM 527 CA LEU A 35 15.230 7.215 -9.253 1.00 33.12 C ATOM 528 C LEU A 35 13.799 6.912 -9.685 1.00 34.34 C ATOM 529 O LEU A 35 13.180 5.964 -9.199 1.00 33.12 O ATOM 530 CB LEU A 35 16.193 6.224 -9.909 1.00 2.33 C ATOM 531 CG LEU A 35 16.736 6.624 -11.281 1.00 52.42 C ATOM 532 CD1 LEU A 35 15.606 6.723 -12.294 1.00 14.41 C ATOM 533 CD2 LEU A 35 17.492 7.942 -11.192 1.00 52.14 C ATOM 0 H LEU A 35 16.015 6.455 -7.463 1.00 34.33 H new ATOM 0 HA LEU A 35 15.481 8.225 -9.576 1.00 33.12 H new ATOM 0 HB2 LEU A 35 17.037 6.070 -9.237 1.00 2.33 H new ATOM 0 HB3 LEU A 35 15.685 5.265 -10.007 1.00 2.33 H new ATOM 0 HG LEU A 35 17.429 5.852 -11.615 1.00 52.42 H new ATOM 0 HD11 LEU A 35 16.011 7.009 -13.265 1.00 14.41 H new ATOM 0 HD12 LEU A 35 15.108 5.757 -12.379 1.00 14.41 H new ATOM 0 HD13 LEU A 35 14.888 7.474 -11.966 1.00 14.41 H new ATOM 0 HD21 LEU A 35 17.871 8.211 -12.178 1.00 52.14 H new ATOM 0 HD22 LEU A 35 16.821 8.723 -10.836 1.00 52.14 H new ATOM 0 HD23 LEU A 35 18.326 7.837 -10.498 1.00 52.14 H new ATOM 545 N LEU A 36 13.279 7.721 -10.601 1.00 72.41 N ATOM 546 CA LEU A 36 11.921 7.538 -11.101 1.00 74.11 C ATOM 547 C LEU A 36 11.920 7.331 -12.612 1.00 72.43 C ATOM 548 O LEU A 36 11.312 6.388 -13.119 1.00 71.33 O ATOM 549 CB LEU A 36 11.056 8.747 -10.740 1.00 42.23 C ATOM 550 CG LEU A 36 11.063 9.162 -9.268 1.00 72.25 C ATOM 551 CD1 LEU A 36 11.054 10.677 -9.141 1.00 4.23 C ATOM 552 CD2 LEU A 36 9.873 8.557 -8.539 1.00 35.44 C ATOM 0 H LEU A 36 13.777 8.510 -11.013 1.00 72.41 H new ATOM 0 HA LEU A 36 11.504 6.647 -10.631 1.00 74.11 H new ATOM 0 HB2 LEU A 36 11.386 9.596 -11.338 1.00 42.23 H new ATOM 0 HB3 LEU A 36 10.028 8.533 -11.032 1.00 42.23 H new ATOM 0 HG LEU A 36 11.976 8.785 -8.808 1.00 72.25 H new ATOM 0 HD11 LEU A 36 11.059 10.954 -8.087 1.00 4.23 H new ATOM 0 HD12 LEU A 36 11.938 11.088 -9.628 1.00 4.23 H new ATOM 0 HD13 LEU A 36 10.158 11.077 -9.617 1.00 4.23 H new ATOM 0 HD21 LEU A 36 9.894 8.862 -7.493 1.00 35.44 H new ATOM 0 HD22 LEU A 36 8.949 8.904 -9.000 1.00 35.44 H new ATOM 0 HD23 LEU A 36 9.923 7.470 -8.601 1.00 35.44 H new ATOM 564 N ASP A 37 12.606 8.216 -13.326 1.00 3.12 N ATOM 565 CA ASP A 37 12.688 8.129 -14.779 1.00 71.33 C ATOM 566 C ASP A 37 14.128 8.299 -15.254 1.00 34.11 C ATOM 567 O ASP A 37 14.743 9.343 -15.039 1.00 41.12 O ATOM 568 CB ASP A 37 11.796 9.189 -15.426 1.00 53.32 C ATOM 569 CG ASP A 37 10.761 8.587 -16.356 1.00 60.40 C ATOM 570 OD1 ASP A 37 11.080 7.583 -17.027 1.00 51.11 O ATOM 571 OD2 ASP A 37 9.633 9.119 -16.413 1.00 74.04 O ATOM 0 H ASP A 37 13.114 9.003 -12.922 1.00 3.12 H new ATOM 0 HA ASP A 37 12.340 7.140 -15.079 1.00 71.33 H new ATOM 0 HB2 ASP A 37 11.291 9.760 -14.646 1.00 53.32 H new ATOM 0 HB3 ASP A 37 12.417 9.891 -15.983 1.00 53.32 H new ATOM 576 N SER A 38 14.659 7.265 -15.899 1.00 52.31 N ATOM 577 CA SER A 38 16.028 7.299 -16.400 1.00 31.41 C ATOM 578 C SER A 38 16.065 7.022 -17.900 1.00 14.31 C ATOM 579 O SER A 38 16.371 5.911 -18.330 1.00 61.52 O ATOM 580 CB SER A 38 16.889 6.273 -15.660 1.00 1.31 C ATOM 581 OG SER A 38 16.152 5.095 -15.380 1.00 45.42 O ATOM 0 H SER A 38 14.162 6.394 -16.087 1.00 52.31 H new ATOM 0 HA SER A 38 16.429 8.297 -16.222 1.00 31.41 H new ATOM 0 HB2 SER A 38 17.763 6.024 -16.263 1.00 1.31 H new ATOM 0 HB3 SER A 38 17.256 6.706 -14.729 1.00 1.31 H new ATOM 0 HG SER A 38 16.725 4.455 -14.908 1.00 45.42 H new ATOM 587 N SER A 39 15.749 8.043 -18.691 1.00 64.11 N ATOM 588 CA SER A 39 15.742 7.910 -20.143 1.00 41.52 C ATOM 589 C SER A 39 17.152 8.050 -20.709 1.00 23.34 C ATOM 590 O SER A 39 17.590 7.234 -21.519 1.00 24.44 O ATOM 591 CB SER A 39 14.824 8.963 -20.768 1.00 31.22 C ATOM 592 OG SER A 39 15.096 9.122 -22.149 1.00 63.13 O ATOM 0 H SER A 39 15.495 8.970 -18.351 1.00 64.11 H new ATOM 0 HA SER A 39 15.367 6.917 -20.390 1.00 41.52 H new ATOM 0 HB2 SER A 39 13.783 8.670 -20.631 1.00 31.22 H new ATOM 0 HB3 SER A 39 14.957 9.916 -20.256 1.00 31.22 H new ATOM 0 HG SER A 39 14.495 9.799 -22.525 1.00 63.13 H new ATOM 598 N GLU A 40 17.857 9.090 -20.275 1.00 21.14 N ATOM 599 CA GLU A 40 19.217 9.337 -20.738 1.00 25.10 C ATOM 600 C GLU A 40 19.941 10.307 -19.809 1.00 1.14 C ATOM 601 O GLU A 40 19.312 11.015 -19.021 1.00 60.24 O ATOM 602 CB GLU A 40 19.201 9.894 -22.163 1.00 3.52 C ATOM 603 CG GLU A 40 20.139 9.167 -23.112 1.00 33.12 C ATOM 604 CD GLU A 40 19.421 8.603 -24.323 1.00 31.04 C ATOM 605 OE1 GLU A 40 18.502 9.276 -24.835 1.00 62.30 O ATOM 606 OE2 GLU A 40 19.779 7.488 -24.758 1.00 14.24 O ATOM 0 H GLU A 40 17.509 9.775 -19.604 1.00 21.14 H new ATOM 0 HA GLU A 40 19.753 8.388 -20.732 1.00 25.10 H new ATOM 0 HB2 GLU A 40 18.185 9.837 -22.555 1.00 3.52 H new ATOM 0 HB3 GLU A 40 19.473 10.949 -22.135 1.00 3.52 H new ATOM 0 HG2 GLU A 40 20.918 9.853 -23.443 1.00 33.12 H new ATOM 0 HG3 GLU A 40 20.634 8.356 -22.578 1.00 33.12 H new ATOM 613 N ILE A 41 21.266 10.333 -19.906 1.00 0.22 N ATOM 614 CA ILE A 41 22.075 11.216 -19.075 1.00 2.11 C ATOM 615 C ILE A 41 21.626 12.667 -19.214 1.00 34.51 C ATOM 616 O ILE A 41 21.889 13.496 -18.342 1.00 61.24 O ATOM 617 CB ILE A 41 23.569 11.117 -19.436 1.00 70.43 C ATOM 618 CG1 ILE A 41 24.409 11.936 -18.455 1.00 42.40 C ATOM 619 CG2 ILE A 41 23.801 11.589 -20.864 1.00 21.31 C ATOM 620 CD1 ILE A 41 24.713 13.336 -18.942 1.00 64.35 C ATOM 0 H ILE A 41 21.802 9.753 -20.552 1.00 0.22 H new ATOM 0 HA ILE A 41 21.936 10.892 -18.044 1.00 2.11 H new ATOM 0 HB ILE A 41 23.877 10.074 -19.364 1.00 70.43 H new ATOM 0 HG12 ILE A 41 23.883 11.998 -17.502 1.00 42.40 H new ATOM 0 HG13 ILE A 41 25.347 11.413 -18.268 1.00 42.40 H new ATOM 0 HG21 ILE A 41 24.861 11.513 -21.105 1.00 21.31 H new ATOM 0 HG22 ILE A 41 23.228 10.966 -21.551 1.00 21.31 H new ATOM 0 HG23 ILE A 41 23.480 12.626 -20.961 1.00 21.31 H new ATOM 0 HD11 ILE A 41 25.312 13.859 -18.196 1.00 64.35 H new ATOM 0 HD12 ILE A 41 25.267 13.283 -19.879 1.00 64.35 H new ATOM 0 HD13 ILE A 41 23.780 13.876 -19.102 1.00 64.35 H new ATOM 632 N HIS A 42 20.944 12.966 -20.315 1.00 14.11 N ATOM 633 CA HIS A 42 20.454 14.317 -20.567 1.00 64.24 C ATOM 634 C HIS A 42 19.607 14.815 -19.400 1.00 72.45 C ATOM 635 O HIS A 42 19.785 15.936 -18.925 1.00 43.14 O ATOM 636 CB HIS A 42 19.637 14.353 -21.859 1.00 34.33 C ATOM 637 CG HIS A 42 20.466 14.209 -23.097 1.00 62.53 C ATOM 638 ND1 HIS A 42 21.056 13.020 -23.474 1.00 51.41 N ATOM 639 CD2 HIS A 42 20.802 15.112 -24.048 1.00 70.40 C ATOM 640 CE1 HIS A 42 21.720 13.199 -24.602 1.00 0.30 C ATOM 641 NE2 HIS A 42 21.581 14.460 -24.972 1.00 25.33 N ATOM 0 H HIS A 42 20.718 12.292 -21.046 1.00 14.11 H new ATOM 0 HA HIS A 42 21.316 14.976 -20.673 1.00 64.24 H new ATOM 0 HB2 HIS A 42 18.896 13.554 -21.833 1.00 34.33 H new ATOM 0 HB3 HIS A 42 19.089 15.294 -21.906 1.00 34.33 H new ATOM 0 HD2 HIS A 42 20.511 16.152 -24.075 1.00 70.40 H new ATOM 0 HE1 HIS A 42 22.281 12.443 -25.132 1.00 0.30 H new ATOM 0 HE2 HIS A 42 21.986 14.881 -25.808 1.00 25.33 H new ATOM 649 N TRP A 43 18.685 13.974 -18.945 1.00 11.32 N ATOM 650 CA TRP A 43 17.809 14.330 -17.834 1.00 22.21 C ATOM 651 C TRP A 43 17.361 13.086 -17.074 1.00 43.12 C ATOM 652 O TRP A 43 16.872 12.126 -17.670 1.00 44.42 O ATOM 653 CB TRP A 43 16.589 15.097 -18.345 1.00 51.31 C ATOM 654 CG TRP A 43 15.754 14.311 -19.310 1.00 33.24 C ATOM 655 CD1 TRP A 43 15.833 14.336 -20.673 1.00 10.52 C ATOM 656 CD2 TRP A 43 14.712 13.384 -18.984 1.00 2.13 C ATOM 657 NE1 TRP A 43 14.903 13.481 -21.214 1.00 3.51 N ATOM 658 CE2 TRP A 43 14.204 12.884 -20.199 1.00 12.53 C ATOM 659 CE3 TRP A 43 14.161 12.926 -17.784 1.00 50.11 C ATOM 660 CZ2 TRP A 43 13.171 11.952 -20.246 1.00 20.12 C ATOM 661 CZ3 TRP A 43 13.136 12.001 -17.832 1.00 72.35 C ATOM 662 CH2 TRP A 43 12.650 11.521 -19.056 1.00 70.01 C ATOM 0 H TRP A 43 18.525 13.042 -19.327 1.00 11.32 H new ATOM 0 HA TRP A 43 18.370 14.968 -17.151 1.00 22.21 H new ATOM 0 HB2 TRP A 43 15.971 15.390 -17.496 1.00 51.31 H new ATOM 0 HB3 TRP A 43 16.922 16.015 -18.828 1.00 51.31 H new ATOM 0 HD1 TRP A 43 16.525 14.939 -21.242 1.00 10.52 H new ATOM 0 HE1 TRP A 43 14.757 13.318 -22.210 1.00 3.51 H new ATOM 0 HE3 TRP A 43 14.530 13.289 -16.836 1.00 50.11 H new ATOM 0 HZ2 TRP A 43 12.794 11.582 -21.188 1.00 20.12 H new ATOM 0 HZ3 TRP A 43 12.702 11.642 -16.911 1.00 72.35 H new ATOM 0 HH2 TRP A 43 11.849 10.797 -19.060 1.00 70.01 H new ATOM 673 N TRP A 44 17.531 13.110 -15.757 1.00 70.33 N ATOM 674 CA TRP A 44 17.143 11.983 -14.917 1.00 23.34 C ATOM 675 C TRP A 44 16.143 12.417 -13.851 1.00 53.03 C ATOM 676 O TRP A 44 16.445 13.265 -13.012 1.00 21.04 O ATOM 677 CB TRP A 44 18.376 11.366 -14.254 1.00 64.04 C ATOM 678 CG TRP A 44 18.932 10.196 -15.008 1.00 24.43 C ATOM 679 CD1 TRP A 44 18.823 9.956 -16.348 1.00 15.42 C ATOM 680 CD2 TRP A 44 19.683 9.105 -14.464 1.00 21.44 C ATOM 681 NE1 TRP A 44 19.460 8.782 -16.670 1.00 12.34 N ATOM 682 CE2 TRP A 44 19.997 8.241 -15.532 1.00 14.15 C ATOM 683 CE3 TRP A 44 20.123 8.774 -13.179 1.00 51.21 C ATOM 684 CZ2 TRP A 44 20.728 7.070 -15.351 1.00 74.13 C ATOM 685 CZ3 TRP A 44 20.848 7.611 -13.002 1.00 1.31 C ATOM 686 CH2 TRP A 44 21.145 6.771 -14.083 1.00 24.00 C ATOM 0 H TRP A 44 17.934 13.897 -15.248 1.00 70.33 H new ATOM 0 HA TRP A 44 16.668 11.236 -15.553 1.00 23.34 H new ATOM 0 HB2 TRP A 44 19.149 12.129 -14.159 1.00 64.04 H new ATOM 0 HB3 TRP A 44 18.116 11.048 -13.244 1.00 64.04 H new ATOM 0 HD1 TRP A 44 18.311 10.596 -17.052 1.00 15.42 H new ATOM 0 HE1 TRP A 44 19.523 8.379 -17.605 1.00 12.34 H new ATOM 0 HE3 TRP A 44 19.900 9.416 -12.339 1.00 51.21 H new ATOM 0 HZ2 TRP A 44 20.958 6.420 -16.183 1.00 74.13 H new ATOM 0 HZ3 TRP A 44 21.192 7.345 -12.013 1.00 1.31 H new ATOM 0 HH2 TRP A 44 21.715 5.869 -13.912 1.00 24.00 H new ATOM 697 N ARG A 45 14.951 11.831 -13.891 1.00 74.22 N ATOM 698 CA ARG A 45 13.905 12.159 -12.929 1.00 64.21 C ATOM 699 C ARG A 45 14.103 11.388 -11.627 1.00 64.13 C ATOM 700 O ARG A 45 14.052 10.158 -11.608 1.00 13.03 O ATOM 701 CB ARG A 45 12.527 11.846 -13.515 1.00 2.31 C ATOM 702 CG ARG A 45 11.608 13.054 -13.586 1.00 54.45 C ATOM 703 CD ARG A 45 10.144 12.645 -13.526 1.00 63.01 C ATOM 704 NE ARG A 45 9.252 13.801 -13.534 1.00 32.10 N ATOM 705 CZ ARG A 45 9.053 14.583 -12.479 1.00 35.33 C ATOM 706 NH1 ARG A 45 9.680 14.334 -11.337 1.00 73.03 N ATOM 707 NH2 ARG A 45 8.225 15.616 -12.564 1.00 12.30 N ATOM 0 H ARG A 45 14.685 11.127 -14.579 1.00 74.22 H new ATOM 0 HA ARG A 45 13.966 13.226 -12.713 1.00 64.21 H new ATOM 0 HB2 ARG A 45 12.652 11.436 -14.517 1.00 2.31 H new ATOM 0 HB3 ARG A 45 12.052 11.073 -12.911 1.00 2.31 H new ATOM 0 HG2 ARG A 45 11.832 13.732 -12.762 1.00 54.45 H new ATOM 0 HG3 ARG A 45 11.796 13.602 -14.509 1.00 54.45 H new ATOM 0 HD2 ARG A 45 9.912 12.002 -14.375 1.00 63.01 H new ATOM 0 HD3 ARG A 45 9.968 12.058 -12.625 1.00 63.01 H new ATOM 0 HE ARG A 45 8.754 14.020 -14.397 1.00 32.10 H new ATOM 0 HH11 ARG A 45 10.317 13.540 -11.267 1.00 73.03 H new ATOM 0 HH12 ARG A 45 9.525 14.936 -10.528 1.00 73.03 H new ATOM 0 HH21 ARG A 45 7.740 15.810 -13.440 1.00 12.30 H new ATOM 0 HH22 ARG A 45 8.073 16.216 -11.753 1.00 12.30 H new ATOM 721 N VAL A 46 14.331 12.119 -10.541 1.00 12.40 N ATOM 722 CA VAL A 46 14.536 11.505 -9.235 1.00 1.13 C ATOM 723 C VAL A 46 13.716 12.211 -8.161 1.00 23.15 C ATOM 724 O VAL A 46 13.182 13.296 -8.387 1.00 71.04 O ATOM 725 CB VAL A 46 16.022 11.530 -8.830 1.00 60.11 C ATOM 726 CG1 VAL A 46 16.880 10.886 -9.908 1.00 41.14 C ATOM 727 CG2 VAL A 46 16.476 12.956 -8.557 1.00 14.00 C ATOM 0 H VAL A 46 14.378 13.138 -10.540 1.00 12.40 H new ATOM 0 HA VAL A 46 14.207 10.469 -9.317 1.00 1.13 H new ATOM 0 HB VAL A 46 16.140 10.954 -7.912 1.00 60.11 H new ATOM 0 HG11 VAL A 46 17.927 10.913 -9.604 1.00 41.14 H new ATOM 0 HG12 VAL A 46 16.570 9.851 -10.050 1.00 41.14 H new ATOM 0 HG13 VAL A 46 16.760 11.432 -10.844 1.00 41.14 H new ATOM 0 HG21 VAL A 46 17.528 12.955 -8.272 1.00 14.00 H new ATOM 0 HG22 VAL A 46 16.344 13.558 -9.456 1.00 14.00 H new ATOM 0 HG23 VAL A 46 15.881 13.378 -7.747 1.00 14.00 H new ATOM 737 N GLN A 47 13.622 11.587 -6.991 1.00 2.34 N ATOM 738 CA GLN A 47 12.867 12.156 -5.881 1.00 12.42 C ATOM 739 C GLN A 47 13.748 12.314 -4.646 1.00 45.14 C ATOM 740 O GLN A 47 14.575 11.452 -4.348 1.00 3.22 O ATOM 741 CB GLN A 47 11.661 11.275 -5.552 1.00 20.44 C ATOM 742 CG GLN A 47 10.952 11.669 -4.266 1.00 20.31 C ATOM 743 CD GLN A 47 9.523 11.167 -4.210 1.00 73.32 C ATOM 744 OE1 GLN A 47 9.244 10.015 -4.544 1.00 74.22 O ATOM 745 NE2 GLN A 47 8.608 12.031 -3.786 1.00 74.45 N ATOM 0 H GLN A 47 14.059 10.688 -6.787 1.00 2.34 H new ATOM 0 HA GLN A 47 12.516 13.143 -6.182 1.00 12.42 H new ATOM 0 HB2 GLN A 47 10.951 11.322 -6.378 1.00 20.44 H new ATOM 0 HB3 GLN A 47 11.989 10.239 -5.473 1.00 20.44 H new ATOM 0 HG2 GLN A 47 11.506 11.273 -3.415 1.00 20.31 H new ATOM 0 HG3 GLN A 47 10.956 12.755 -4.172 1.00 20.31 H new ATOM 0 HE21 GLN A 47 8.884 12.976 -3.519 1.00 74.45 H new ATOM 0 HE22 GLN A 47 7.629 11.750 -3.727 1.00 74.45 H new ATOM 754 N ASP A 48 13.567 13.420 -3.933 1.00 73.02 N ATOM 755 CA ASP A 48 14.345 13.691 -2.730 1.00 63.41 C ATOM 756 C ASP A 48 13.818 12.883 -1.548 1.00 53.13 C ATOM 757 O ASP A 48 12.886 12.091 -1.691 1.00 40.25 O ATOM 758 CB ASP A 48 14.311 15.184 -2.400 1.00 30.53 C ATOM 759 CG ASP A 48 14.960 16.030 -3.477 1.00 51.01 C ATOM 760 OD1 ASP A 48 15.349 15.466 -4.522 1.00 34.04 O ATOM 761 OD2 ASP A 48 15.078 17.257 -3.276 1.00 63.42 O ATOM 0 H ASP A 48 12.888 14.144 -4.168 1.00 73.02 H new ATOM 0 HA ASP A 48 15.376 13.393 -2.919 1.00 63.41 H new ATOM 0 HB2 ASP A 48 13.276 15.500 -2.268 1.00 30.53 H new ATOM 0 HB3 ASP A 48 14.820 15.355 -1.452 1.00 30.53 H new ATOM 766 N ARG A 49 14.420 13.089 -0.382 1.00 22.43 N ATOM 767 CA ARG A 49 14.013 12.378 0.824 1.00 14.03 C ATOM 768 C ARG A 49 12.977 13.182 1.605 1.00 73.31 C ATOM 769 O ARG A 49 12.708 12.899 2.772 1.00 72.04 O ATOM 770 CB ARG A 49 15.227 12.095 1.710 1.00 22.32 C ATOM 771 CG ARG A 49 16.177 11.060 1.129 1.00 34.31 C ATOM 772 CD ARG A 49 16.894 10.285 2.224 1.00 51.23 C ATOM 773 NE ARG A 49 16.036 9.269 2.827 1.00 22.21 N ATOM 774 CZ ARG A 49 16.499 8.226 3.507 1.00 2.14 C ATOM 775 NH1 ARG A 49 17.805 8.063 3.670 1.00 11.55 N ATOM 776 NH2 ARG A 49 15.655 7.344 4.027 1.00 63.42 N ATOM 0 H ARG A 49 15.191 13.742 -0.246 1.00 22.43 H new ATOM 0 HA ARG A 49 13.563 11.432 0.523 1.00 14.03 H new ATOM 0 HB2 ARG A 49 15.772 13.025 1.873 1.00 22.32 H new ATOM 0 HB3 ARG A 49 14.882 11.752 2.686 1.00 22.32 H new ATOM 0 HG2 ARG A 49 15.621 10.368 0.497 1.00 34.31 H new ATOM 0 HG3 ARG A 49 16.910 11.555 0.492 1.00 34.31 H new ATOM 0 HD2 ARG A 49 17.783 9.809 1.809 1.00 51.23 H new ATOM 0 HD3 ARG A 49 17.233 10.977 2.995 1.00 51.23 H new ATOM 0 HE ARG A 49 15.026 9.365 2.720 1.00 22.21 H new ATOM 0 HH11 ARG A 49 18.457 8.739 3.273 1.00 11.55 H new ATOM 0 HH12 ARG A 49 18.158 7.261 4.193 1.00 11.55 H new ATOM 0 HH21 ARG A 49 14.650 7.467 3.905 1.00 63.42 H new ATOM 0 HH22 ARG A 49 16.011 6.543 4.549 1.00 63.42 H new ATOM 790 N ASN A 50 12.399 14.185 0.952 1.00 2.21 N ATOM 791 CA ASN A 50 11.394 15.031 1.585 1.00 33.23 C ATOM 792 C ASN A 50 10.050 14.905 0.873 1.00 23.32 C ATOM 793 O ASN A 50 8.997 15.122 1.470 1.00 53.00 O ATOM 794 CB ASN A 50 11.850 16.491 1.582 1.00 1.12 C ATOM 795 CG ASN A 50 13.286 16.649 2.044 1.00 12.12 C ATOM 796 OD1 ASN A 50 13.545 16.938 3.212 1.00 24.15 O ATOM 797 ND2 ASN A 50 14.227 16.460 1.126 1.00 13.33 N ATOM 0 H ASN A 50 12.609 14.432 -0.015 1.00 2.21 H new ATOM 0 HA ASN A 50 11.272 14.698 2.616 1.00 33.23 H new ATOM 0 HB2 ASN A 50 11.748 16.899 0.576 1.00 1.12 H new ATOM 0 HB3 ASN A 50 11.196 17.074 2.230 1.00 1.12 H new ATOM 0 HD21 ASN A 50 15.211 16.553 1.378 1.00 13.33 H new ATOM 0 HD22 ASN A 50 13.966 16.222 0.169 1.00 13.33 H new ATOM 804 N GLY A 51 10.096 14.551 -0.408 1.00 23.12 N ATOM 805 CA GLY A 51 8.877 14.401 -1.180 1.00 51.33 C ATOM 806 C GLY A 51 8.845 15.309 -2.394 1.00 74.42 C ATOM 807 O GLY A 51 7.773 15.700 -2.858 1.00 31.14 O ATOM 0 H GLY A 51 10.956 14.366 -0.924 1.00 23.12 H new ATOM 0 HA2 GLY A 51 8.780 13.364 -1.503 1.00 51.33 H new ATOM 0 HA3 GLY A 51 8.019 14.619 -0.544 1.00 51.33 H new ATOM 811 N HIS A 52 10.022 15.646 -2.910 1.00 42.04 N ATOM 812 CA HIS A 52 10.125 16.514 -4.078 1.00 14.52 C ATOM 813 C HIS A 52 10.802 15.789 -5.237 1.00 13.22 C ATOM 814 O HIS A 52 11.927 15.308 -5.107 1.00 34.32 O ATOM 815 CB HIS A 52 10.904 17.783 -3.729 1.00 61.24 C ATOM 816 CG HIS A 52 10.414 18.466 -2.490 1.00 33.21 C ATOM 817 ND1 HIS A 52 11.087 18.418 -1.288 1.00 4.13 N ATOM 818 CD2 HIS A 52 9.309 19.217 -2.271 1.00 44.31 C ATOM 819 CE1 HIS A 52 10.418 19.109 -0.383 1.00 12.24 C ATOM 820 NE2 HIS A 52 9.335 19.605 -0.954 1.00 20.10 N ATOM 0 H HIS A 52 10.918 15.331 -2.538 1.00 42.04 H new ATOM 0 HA HIS A 52 9.116 16.789 -4.386 1.00 14.52 H new ATOM 0 HB2 HIS A 52 11.957 17.530 -3.602 1.00 61.24 H new ATOM 0 HB3 HIS A 52 10.842 18.479 -4.566 1.00 61.24 H new ATOM 0 HD2 HIS A 52 8.549 19.465 -2.997 1.00 44.31 H new ATOM 0 HE1 HIS A 52 10.707 19.245 0.649 1.00 12.24 H new ATOM 0 HE2 HIS A 52 8.632 20.182 -0.492 1.00 20.10 H new ATOM 828 N GLU A 53 10.108 15.715 -6.369 1.00 2.15 N ATOM 829 CA GLU A 53 10.643 15.047 -7.549 1.00 61.11 C ATOM 830 C GLU A 53 10.980 16.058 -8.641 1.00 10.41 C ATOM 831 O GLU A 53 10.215 16.986 -8.900 1.00 1.50 O ATOM 832 CB GLU A 53 9.640 14.021 -8.081 1.00 15.54 C ATOM 833 CG GLU A 53 8.980 13.194 -6.990 1.00 60.44 C ATOM 834 CD GLU A 53 8.333 11.931 -7.527 1.00 44.40 C ATOM 835 OE1 GLU A 53 7.921 11.932 -8.706 1.00 64.21 O ATOM 836 OE2 GLU A 53 8.239 10.944 -6.769 1.00 30.13 O ATOM 0 H GLU A 53 9.175 16.109 -6.493 1.00 2.15 H new ATOM 0 HA GLU A 53 11.559 14.532 -7.259 1.00 61.11 H new ATOM 0 HB2 GLU A 53 8.868 14.540 -8.649 1.00 15.54 H new ATOM 0 HB3 GLU A 53 10.150 13.352 -8.774 1.00 15.54 H new ATOM 0 HG2 GLU A 53 9.725 12.926 -6.241 1.00 60.44 H new ATOM 0 HG3 GLU A 53 8.226 13.799 -6.487 1.00 60.44 H new ATOM 843 N GLY A 54 12.132 15.871 -9.278 1.00 0.20 N ATOM 844 CA GLY A 54 12.551 16.774 -10.334 1.00 2.53 C ATOM 845 C GLY A 54 13.552 16.138 -11.278 1.00 1.34 C ATOM 846 O GLY A 54 13.824 14.941 -11.190 1.00 23.32 O ATOM 0 H GLY A 54 12.782 15.110 -9.082 1.00 0.20 H new ATOM 0 HA2 GLY A 54 11.677 17.097 -10.900 1.00 2.53 H new ATOM 0 HA3 GLY A 54 12.991 17.667 -9.891 1.00 2.53 H new ATOM 850 N TYR A 55 14.100 16.940 -12.184 1.00 22.11 N ATOM 851 CA TYR A 55 15.074 16.447 -13.151 1.00 53.22 C ATOM 852 C TYR A 55 16.494 16.806 -12.726 1.00 1.50 C ATOM 853 O TYR A 55 16.734 17.871 -12.155 1.00 75.40 O ATOM 854 CB TYR A 55 14.783 17.024 -14.538 1.00 1.13 C ATOM 855 CG TYR A 55 13.453 16.587 -15.109 1.00 63.30 C ATOM 856 CD1 TYR A 55 12.263 17.133 -14.646 1.00 54.51 C ATOM 857 CD2 TYR A 55 13.387 15.626 -16.111 1.00 1.33 C ATOM 858 CE1 TYR A 55 11.045 16.736 -15.165 1.00 2.55 C ATOM 859 CE2 TYR A 55 12.174 15.224 -16.636 1.00 44.40 C ATOM 860 CZ TYR A 55 11.006 15.782 -16.160 1.00 3.14 C ATOM 861 OH TYR A 55 9.796 15.383 -16.679 1.00 41.42 O ATOM 0 H TYR A 55 13.887 17.934 -12.269 1.00 22.11 H new ATOM 0 HA TYR A 55 14.991 15.361 -13.191 1.00 53.22 H new ATOM 0 HB2 TYR A 55 14.805 18.112 -14.481 1.00 1.13 H new ATOM 0 HB3 TYR A 55 15.578 16.725 -15.221 1.00 1.13 H new ATOM 0 HD1 TYR A 55 12.290 17.881 -13.867 1.00 54.51 H new ATOM 0 HD2 TYR A 55 14.299 15.186 -16.486 1.00 1.33 H new ATOM 0 HE1 TYR A 55 10.129 17.171 -14.793 1.00 2.55 H new ATOM 0 HE2 TYR A 55 12.141 14.477 -17.415 1.00 44.40 H new ATOM 0 HH TYR A 55 9.944 14.706 -17.372 1.00 41.42 H new ATOM 871 N VAL A 56 17.434 15.910 -13.009 1.00 42.43 N ATOM 872 CA VAL A 56 18.832 16.132 -12.659 1.00 30.13 C ATOM 873 C VAL A 56 19.761 15.365 -13.593 1.00 41.44 C ATOM 874 O VAL A 56 19.392 14.346 -14.177 1.00 42.22 O ATOM 875 CB VAL A 56 19.120 15.709 -11.206 1.00 61.10 C ATOM 876 CG1 VAL A 56 18.580 16.744 -10.231 1.00 74.12 C ATOM 877 CG2 VAL A 56 18.527 14.337 -10.923 1.00 55.13 C ATOM 0 H VAL A 56 17.253 15.023 -13.480 1.00 42.43 H new ATOM 0 HA VAL A 56 19.019 17.201 -12.763 1.00 30.13 H new ATOM 0 HB VAL A 56 20.200 15.647 -11.071 1.00 61.10 H new ATOM 0 HG11 VAL A 56 18.793 16.428 -9.210 1.00 74.12 H new ATOM 0 HG12 VAL A 56 19.057 17.706 -10.420 1.00 74.12 H new ATOM 0 HG13 VAL A 56 17.502 16.841 -10.363 1.00 74.12 H new ATOM 0 HG21 VAL A 56 18.740 14.054 -9.892 1.00 55.13 H new ATOM 0 HG22 VAL A 56 17.448 14.369 -11.075 1.00 55.13 H new ATOM 0 HG23 VAL A 56 18.967 13.604 -11.599 1.00 55.13 H new ATOM 887 N PRO A 57 20.997 15.865 -13.740 1.00 0.41 N ATOM 888 CA PRO A 57 22.006 15.243 -14.602 1.00 72.31 C ATOM 889 C PRO A 57 22.504 13.913 -14.045 1.00 53.41 C ATOM 890 O PRO A 57 22.934 13.834 -12.895 1.00 22.23 O ATOM 891 CB PRO A 57 23.139 16.272 -14.623 1.00 32.22 C ATOM 892 CG PRO A 57 22.982 17.033 -13.352 1.00 3.12 C ATOM 893 CD PRO A 57 21.505 17.077 -13.075 1.00 21.14 C ATOM 0 HA PRO A 57 21.609 15.007 -15.589 1.00 72.31 H new ATOM 0 HB2 PRO A 57 24.114 15.787 -14.676 1.00 32.22 H new ATOM 0 HB3 PRO A 57 23.062 16.928 -15.490 1.00 32.22 H new ATOM 0 HG2 PRO A 57 23.517 16.546 -12.537 1.00 3.12 H new ATOM 0 HG3 PRO A 57 23.391 18.039 -13.446 1.00 3.12 H new ATOM 0 HD2 PRO A 57 21.296 17.066 -12.005 1.00 21.14 H new ATOM 0 HD3 PRO A 57 21.047 17.979 -13.480 1.00 21.14 H new ATOM 901 N SER A 58 22.442 12.872 -14.869 1.00 24.24 N ATOM 902 CA SER A 58 22.884 11.545 -14.457 1.00 21.45 C ATOM 903 C SER A 58 24.400 11.505 -14.286 1.00 52.11 C ATOM 904 O SER A 58 24.925 10.734 -13.483 1.00 44.23 O ATOM 905 CB SER A 58 22.447 10.497 -15.483 1.00 5.24 C ATOM 906 OG SER A 58 22.666 9.184 -14.996 1.00 44.41 O ATOM 0 H SER A 58 22.090 12.922 -15.825 1.00 24.24 H new ATOM 0 HA SER A 58 22.422 11.318 -13.496 1.00 21.45 H new ATOM 0 HB2 SER A 58 21.391 10.630 -15.716 1.00 5.24 H new ATOM 0 HB3 SER A 58 22.999 10.641 -16.412 1.00 5.24 H new ATOM 0 HG SER A 58 21.812 8.791 -14.720 1.00 44.41 H new ATOM 912 N SER A 59 25.097 12.342 -15.048 1.00 14.30 N ATOM 913 CA SER A 59 26.552 12.401 -14.985 1.00 42.52 C ATOM 914 C SER A 59 27.022 12.723 -13.570 1.00 23.53 C ATOM 915 O SER A 59 28.152 12.409 -13.193 1.00 11.53 O ATOM 916 CB SER A 59 27.084 13.452 -15.962 1.00 14.31 C ATOM 917 OG SER A 59 28.475 13.654 -15.786 1.00 41.52 O ATOM 0 H SER A 59 24.677 12.988 -15.716 1.00 14.30 H new ATOM 0 HA SER A 59 26.943 11.423 -15.266 1.00 42.52 H new ATOM 0 HB2 SER A 59 26.886 13.134 -16.986 1.00 14.31 H new ATOM 0 HB3 SER A 59 26.555 14.393 -15.812 1.00 14.31 H new ATOM 0 HG SER A 59 28.791 14.329 -16.423 1.00 41.52 H new ATOM 923 N TYR A 60 26.148 13.349 -12.791 1.00 13.13 N ATOM 924 CA TYR A 60 26.473 13.715 -11.417 1.00 54.54 C ATOM 925 C TYR A 60 25.773 12.790 -10.427 1.00 23.15 C ATOM 926 O TYR A 60 25.689 13.087 -9.234 1.00 62.21 O ATOM 927 CB TYR A 60 26.073 15.167 -11.146 1.00 74.23 C ATOM 928 CG TYR A 60 26.841 16.171 -11.975 1.00 53.50 C ATOM 929 CD1 TYR A 60 26.621 16.288 -13.342 1.00 34.41 C ATOM 930 CD2 TYR A 60 27.786 17.006 -11.391 1.00 30.55 C ATOM 931 CE1 TYR A 60 27.321 17.204 -14.103 1.00 32.42 C ATOM 932 CE2 TYR A 60 28.490 17.926 -12.143 1.00 73.44 C ATOM 933 CZ TYR A 60 28.254 18.020 -13.499 1.00 50.41 C ATOM 934 OH TYR A 60 28.952 18.935 -14.253 1.00 44.24 O ATOM 0 H TYR A 60 25.209 13.614 -13.087 1.00 13.13 H new ATOM 0 HA TYR A 60 27.550 13.611 -11.285 1.00 54.54 H new ATOM 0 HB2 TYR A 60 25.007 15.284 -11.343 1.00 74.23 H new ATOM 0 HB3 TYR A 60 26.227 15.387 -10.090 1.00 74.23 H new ATOM 0 HD1 TYR A 60 25.890 15.651 -13.818 1.00 34.41 H new ATOM 0 HD2 TYR A 60 27.973 16.934 -10.330 1.00 30.55 H new ATOM 0 HE1 TYR A 60 27.139 17.281 -15.165 1.00 32.42 H new ATOM 0 HE2 TYR A 60 29.220 18.568 -11.673 1.00 73.44 H new ATOM 0 HH TYR A 60 29.569 19.432 -13.676 1.00 44.24 H new ATOM 944 N LEU A 61 25.273 11.666 -10.929 1.00 4.24 N ATOM 945 CA LEU A 61 24.581 10.694 -10.089 1.00 2.50 C ATOM 946 C LEU A 61 25.107 9.285 -10.341 1.00 73.10 C ATOM 947 O LEU A 61 25.272 8.868 -11.488 1.00 10.34 O ATOM 948 CB LEU A 61 23.075 10.744 -10.353 1.00 3.45 C ATOM 949 CG LEU A 61 22.302 11.843 -9.623 1.00 2.43 C ATOM 950 CD1 LEU A 61 20.942 12.057 -10.268 1.00 14.15 C ATOM 951 CD2 LEU A 61 22.148 11.498 -8.149 1.00 34.02 C ATOM 0 H LEU A 61 25.334 11.405 -11.913 1.00 4.24 H new ATOM 0 HA LEU A 61 24.770 10.951 -9.047 1.00 2.50 H new ATOM 0 HB2 LEU A 61 22.918 10.868 -11.425 1.00 3.45 H new ATOM 0 HB3 LEU A 61 22.646 9.781 -10.077 1.00 3.45 H new ATOM 0 HG LEU A 61 22.868 12.772 -9.700 1.00 2.43 H new ATOM 0 HD11 LEU A 61 20.406 12.843 -9.735 1.00 14.15 H new ATOM 0 HD12 LEU A 61 21.075 12.351 -11.309 1.00 14.15 H new ATOM 0 HD13 LEU A 61 20.368 11.131 -10.223 1.00 14.15 H new ATOM 0 HD21 LEU A 61 21.596 12.291 -7.645 1.00 34.02 H new ATOM 0 HD22 LEU A 61 21.605 10.558 -8.050 1.00 34.02 H new ATOM 0 HD23 LEU A 61 23.133 11.397 -7.694 1.00 34.02 H new ATOM 963 N VAL A 62 25.366 8.554 -9.262 1.00 31.44 N ATOM 964 CA VAL A 62 25.869 7.189 -9.365 1.00 43.23 C ATOM 965 C VAL A 62 24.826 6.181 -8.897 1.00 54.33 C ATOM 966 O VAL A 62 24.146 6.397 -7.894 1.00 45.43 O ATOM 967 CB VAL A 62 27.155 7.001 -8.539 1.00 4.21 C ATOM 968 CG1 VAL A 62 26.838 6.992 -7.051 1.00 50.44 C ATOM 969 CG2 VAL A 62 27.869 5.721 -8.948 1.00 14.31 C ATOM 0 H VAL A 62 25.236 8.884 -8.306 1.00 31.44 H new ATOM 0 HA VAL A 62 26.092 7.013 -10.417 1.00 43.23 H new ATOM 0 HB VAL A 62 27.820 7.841 -8.739 1.00 4.21 H new ATOM 0 HG11 VAL A 62 27.759 6.858 -6.484 1.00 50.44 H new ATOM 0 HG12 VAL A 62 26.374 7.938 -6.772 1.00 50.44 H new ATOM 0 HG13 VAL A 62 26.153 6.173 -6.830 1.00 50.44 H new ATOM 0 HG21 VAL A 62 28.776 5.604 -8.354 1.00 14.31 H new ATOM 0 HG22 VAL A 62 27.212 4.868 -8.779 1.00 14.31 H new ATOM 0 HG23 VAL A 62 28.132 5.773 -10.005 1.00 14.31 H new ATOM 979 N GLU A 63 24.704 5.079 -9.631 1.00 3.31 N ATOM 980 CA GLU A 63 23.742 4.038 -9.290 1.00 64.32 C ATOM 981 C GLU A 63 24.070 3.416 -7.935 1.00 42.55 C ATOM 982 O GLU A 63 25.106 2.772 -7.769 1.00 11.00 O ATOM 983 CB GLU A 63 23.727 2.954 -10.370 1.00 71.12 C ATOM 984 CG GLU A 63 22.343 2.675 -10.933 1.00 3.12 C ATOM 985 CD GLU A 63 22.243 1.310 -11.585 1.00 71.21 C ATOM 986 OE1 GLU A 63 23.016 1.046 -12.530 1.00 54.54 O ATOM 987 OE2 GLU A 63 21.392 0.505 -11.151 1.00 44.31 O ATOM 0 H GLU A 63 25.259 4.885 -10.465 1.00 3.31 H new ATOM 0 HA GLU A 63 22.755 4.497 -9.231 1.00 64.32 H new ATOM 0 HB2 GLU A 63 24.387 3.254 -11.184 1.00 71.12 H new ATOM 0 HB3 GLU A 63 24.133 2.032 -9.954 1.00 71.12 H new ATOM 0 HG2 GLU A 63 21.608 2.745 -10.131 1.00 3.12 H new ATOM 0 HG3 GLU A 63 22.091 3.442 -11.665 1.00 3.12 H new ATOM 994 N LYS A 64 23.180 3.616 -6.969 1.00 61.52 N ATOM 995 CA LYS A 64 23.372 3.076 -5.628 1.00 60.44 C ATOM 996 C LYS A 64 23.137 1.569 -5.610 1.00 33.41 C ATOM 997 O LYS A 64 22.000 1.110 -5.499 1.00 31.32 O ATOM 998 CB LYS A 64 22.427 3.762 -4.640 1.00 0.23 C ATOM 999 CG LYS A 64 22.813 3.556 -3.185 1.00 64.54 C ATOM 1000 CD LYS A 64 22.072 2.379 -2.573 1.00 53.22 C ATOM 1001 CE LYS A 64 22.364 2.249 -1.086 1.00 53.11 C ATOM 1002 NZ LYS A 64 22.237 0.842 -0.617 1.00 34.41 N ATOM 0 H LYS A 64 22.318 4.148 -7.090 1.00 61.52 H new ATOM 0 HA LYS A 64 24.402 3.269 -5.329 1.00 60.44 H new ATOM 0 HB2 LYS A 64 22.405 4.831 -4.853 1.00 0.23 H new ATOM 0 HB3 LYS A 64 21.416 3.385 -4.796 1.00 0.23 H new ATOM 0 HG2 LYS A 64 23.888 3.388 -3.113 1.00 64.54 H new ATOM 0 HG3 LYS A 64 22.593 4.460 -2.618 1.00 64.54 H new ATOM 0 HD2 LYS A 64 21.000 2.504 -2.725 1.00 53.22 H new ATOM 0 HD3 LYS A 64 22.361 1.460 -3.083 1.00 53.22 H new ATOM 0 HE2 LYS A 64 23.372 2.611 -0.881 1.00 53.11 H new ATOM 0 HE3 LYS A 64 21.677 2.882 -0.524 1.00 53.11 H new ATOM 0 HZ1 LYS A 64 22.444 0.795 0.401 1.00 34.41 H new ATOM 0 HZ2 LYS A 64 21.268 0.505 -0.789 1.00 34.41 H new ATOM 0 HZ3 LYS A 64 22.910 0.241 -1.135 1.00 34.41 H new