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 32:sc= 0.163 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=-0.00469 K(o=-0.0047,f=-1.3) USER MOD Single : A 19 THR OG1 : rot -122:sc= -0.112 USER MOD Single : A 20 ASN : amide:sc= -0.0778 X(o=-0.078,f=-0.039) USER MOD Single : A 23 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.45) USER MOD Single : A 30 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 33 TYR OH : rot 110:sc= -0.399 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.0114 USER MOD Single : A 38 SER OG : rot 51:sc= 0.0185 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.26) USER MOD Single : A 47 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-0.79) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 100:sc= 3.18 USER MOD Single : A 59 SER OG : rot 170:sc= -1.18! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.00185 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.447 1.287 -9.281 1.00 44.35 N ATOM 104 CA THR A 9 17.845 1.664 -9.114 1.00 42.41 C ATOM 105 C THR A 9 17.971 3.013 -8.414 1.00 71.24 C ATOM 106 O THR A 9 17.094 3.868 -8.531 1.00 55.52 O ATOM 107 CB THR A 9 18.575 1.732 -10.469 1.00 20.31 C ATOM 108 OG1 THR A 9 18.350 0.526 -11.207 1.00 60.51 O ATOM 109 CG2 THR A 9 20.069 1.939 -10.269 1.00 72.11 C ATOM 0 HA THR A 9 18.308 0.893 -8.498 1.00 42.41 H new ATOM 0 HB THR A 9 18.179 2.579 -11.028 1.00 20.31 H new ATOM 0 HG1 THR A 9 17.461 0.173 -10.994 1.00 60.51 H new ATOM 0 HG21 THR A 9 20.563 1.984 -11.239 1.00 72.11 H new ATOM 0 HG22 THR A 9 20.238 2.872 -9.732 1.00 72.11 H new ATOM 0 HG23 THR A 9 20.477 1.109 -9.692 1.00 72.11 H new ATOM 117 N VAL A 10 19.068 3.197 -7.687 1.00 22.11 N ATOM 118 CA VAL A 10 19.310 4.443 -6.969 1.00 73.04 C ATOM 119 C VAL A 10 20.595 5.111 -7.445 1.00 72.13 C ATOM 120 O VAL A 10 21.495 4.451 -7.964 1.00 23.33 O ATOM 121 CB VAL A 10 19.399 4.207 -5.450 1.00 13.51 C ATOM 122 CG1 VAL A 10 19.332 5.529 -4.700 1.00 12.02 C ATOM 123 CG2 VAL A 10 18.294 3.268 -4.991 1.00 54.11 C ATOM 0 H VAL A 10 19.804 2.499 -7.579 1.00 22.11 H new ATOM 0 HA VAL A 10 18.465 5.098 -7.178 1.00 73.04 H new ATOM 0 HB VAL A 10 20.358 3.738 -5.228 1.00 13.51 H new ATOM 0 HG11 VAL A 10 19.396 5.343 -3.628 1.00 12.02 H new ATOM 0 HG12 VAL A 10 20.162 6.165 -5.008 1.00 12.02 H new ATOM 0 HG13 VAL A 10 18.390 6.028 -4.926 1.00 12.02 H new ATOM 0 HG21 VAL A 10 18.372 3.112 -3.915 1.00 54.11 H new ATOM 0 HG22 VAL A 10 17.324 3.706 -5.225 1.00 54.11 H new ATOM 0 HG23 VAL A 10 18.393 2.311 -5.504 1.00 54.11 H new ATOM 133 N VAL A 11 20.674 6.426 -7.265 1.00 73.42 N ATOM 134 CA VAL A 11 21.850 7.184 -7.675 1.00 13.15 C ATOM 135 C VAL A 11 22.365 8.057 -6.535 1.00 71.54 C ATOM 136 O VAL A 11 21.584 8.596 -5.751 1.00 73.02 O ATOM 137 CB VAL A 11 21.546 8.076 -8.893 1.00 1.21 C ATOM 138 CG1 VAL A 11 21.196 7.225 -10.104 1.00 11.20 C ATOM 139 CG2 VAL A 11 20.422 9.050 -8.573 1.00 5.34 C ATOM 0 H VAL A 11 19.938 6.988 -6.838 1.00 73.42 H new ATOM 0 HA VAL A 11 22.616 6.458 -7.948 1.00 13.15 H new ATOM 0 HB VAL A 11 22.440 8.653 -9.130 1.00 1.21 H new ATOM 0 HG11 VAL A 11 20.984 7.873 -10.955 1.00 11.20 H new ATOM 0 HG12 VAL A 11 22.035 6.572 -10.345 1.00 11.20 H new ATOM 0 HG13 VAL A 11 20.317 6.619 -9.881 1.00 11.20 H new ATOM 0 HG21 VAL A 11 20.221 9.672 -9.445 1.00 5.34 H new ATOM 0 HG22 VAL A 11 19.523 8.494 -8.309 1.00 5.34 H new ATOM 0 HG23 VAL A 11 20.716 9.683 -7.736 1.00 5.34 H new ATOM 149 N ILE A 12 23.684 8.191 -6.451 1.00 21.04 N ATOM 150 CA ILE A 12 24.304 9.000 -5.408 1.00 75.40 C ATOM 151 C ILE A 12 24.765 10.345 -5.957 1.00 52.33 C ATOM 152 O ILE A 12 25.382 10.415 -7.019 1.00 63.04 O ATOM 153 CB ILE A 12 25.507 8.276 -4.775 1.00 40.41 C ATOM 154 CG1 ILE A 12 25.193 6.791 -4.582 1.00 4.43 C ATOM 155 CG2 ILE A 12 25.875 8.923 -3.448 1.00 63.21 C ATOM 156 CD1 ILE A 12 26.315 6.017 -3.926 1.00 4.30 C ATOM 0 H ILE A 12 24.344 7.750 -7.092 1.00 21.04 H new ATOM 0 HA ILE A 12 23.545 9.164 -4.643 1.00 75.40 H new ATOM 0 HB ILE A 12 26.360 8.362 -5.448 1.00 40.41 H new ATOM 0 HG12 ILE A 12 24.292 6.694 -3.976 1.00 4.43 H new ATOM 0 HG13 ILE A 12 24.974 6.345 -5.552 1.00 4.43 H new ATOM 0 HG21 ILE A 12 26.727 8.401 -3.012 1.00 63.21 H new ATOM 0 HG22 ILE A 12 26.136 9.968 -3.613 1.00 63.21 H new ATOM 0 HG23 ILE A 12 25.026 8.864 -2.767 1.00 63.21 H new ATOM 0 HD11 ILE A 12 26.023 4.972 -3.821 1.00 4.30 H new ATOM 0 HD12 ILE A 12 27.212 6.083 -4.542 1.00 4.30 H new ATOM 0 HD13 ILE A 12 26.520 6.437 -2.941 1.00 4.30 H new ATOM 168 N ALA A 13 24.462 11.412 -5.225 1.00 50.30 N ATOM 169 CA ALA A 13 24.849 12.756 -5.637 1.00 12.04 C ATOM 170 C ALA A 13 26.330 13.005 -5.374 1.00 41.44 C ATOM 171 O ALA A 13 26.819 12.792 -4.264 1.00 63.33 O ATOM 172 CB ALA A 13 24.001 13.793 -4.915 1.00 42.41 C ATOM 0 H ALA A 13 23.950 11.372 -4.344 1.00 50.30 H new ATOM 0 HA ALA A 13 24.677 12.845 -6.710 1.00 12.04 H new ATOM 0 HB1 ALA A 13 24.300 14.792 -5.232 1.00 42.41 H new ATOM 0 HB2 ALA A 13 22.950 13.635 -5.156 1.00 42.41 H new ATOM 0 HB3 ALA A 13 24.145 13.695 -3.839 1.00 42.41 H new ATOM 178 N LEU A 14 27.040 13.458 -6.402 1.00 70.42 N ATOM 179 CA LEU A 14 28.467 13.736 -6.283 1.00 61.41 C ATOM 180 C LEU A 14 28.708 15.190 -5.891 1.00 33.24 C ATOM 181 O LEU A 14 29.702 15.511 -5.240 1.00 1.42 O ATOM 182 CB LEU A 14 29.179 13.427 -7.602 1.00 34.14 C ATOM 183 CG LEU A 14 28.702 12.179 -8.345 1.00 64.50 C ATOM 184 CD1 LEU A 14 29.461 12.014 -9.653 1.00 22.14 C ATOM 185 CD2 LEU A 14 28.866 10.943 -7.472 1.00 61.10 C ATOM 0 H LEU A 14 26.651 13.640 -7.327 1.00 70.42 H new ATOM 0 HA LEU A 14 28.872 13.096 -5.499 1.00 61.41 H new ATOM 0 HB2 LEU A 14 29.064 14.286 -8.264 1.00 34.14 H new ATOM 0 HB3 LEU A 14 30.245 13.320 -7.400 1.00 34.14 H new ATOM 0 HG LEU A 14 27.643 12.299 -8.575 1.00 64.50 H new ATOM 0 HD11 LEU A 14 29.108 11.121 -10.168 1.00 22.14 H new ATOM 0 HD12 LEU A 14 29.293 12.887 -10.284 1.00 22.14 H new ATOM 0 HD13 LEU A 14 30.527 11.916 -9.445 1.00 22.14 H new ATOM 0 HD21 LEU A 14 28.521 10.064 -8.017 1.00 61.10 H new ATOM 0 HD22 LEU A 14 29.917 10.819 -7.211 1.00 61.10 H new ATOM 0 HD23 LEU A 14 28.277 11.059 -6.562 1.00 61.10 H new ATOM 197 N TYR A 15 27.790 16.064 -6.289 1.00 22.03 N ATOM 198 CA TYR A 15 27.902 17.484 -5.979 1.00 4.32 C ATOM 199 C TYR A 15 26.524 18.117 -5.815 1.00 32.35 C ATOM 200 O TYR A 15 25.540 17.644 -6.384 1.00 51.31 O ATOM 201 CB TYR A 15 28.680 18.208 -7.080 1.00 11.05 C ATOM 202 CG TYR A 15 30.021 17.581 -7.386 1.00 71.43 C ATOM 203 CD1 TYR A 15 31.162 17.957 -6.690 1.00 3.45 C ATOM 204 CD2 TYR A 15 30.146 16.610 -8.373 1.00 22.24 C ATOM 205 CE1 TYR A 15 32.390 17.387 -6.967 1.00 55.32 C ATOM 206 CE2 TYR A 15 31.369 16.033 -8.656 1.00 42.20 C ATOM 207 CZ TYR A 15 32.488 16.426 -7.951 1.00 71.40 C ATOM 208 OH TYR A 15 33.708 15.854 -8.230 1.00 3.24 O ATOM 0 H TYR A 15 26.960 15.814 -6.827 1.00 22.03 H new ATOM 0 HA TYR A 15 28.441 17.582 -5.037 1.00 4.32 H new ATOM 0 HB2 TYR A 15 28.079 18.222 -7.989 1.00 11.05 H new ATOM 0 HB3 TYR A 15 28.833 19.246 -6.783 1.00 11.05 H new ATOM 0 HD1 TYR A 15 31.088 18.709 -5.918 1.00 3.45 H new ATOM 0 HD2 TYR A 15 29.272 16.302 -8.928 1.00 22.24 H new ATOM 0 HE1 TYR A 15 33.267 17.692 -6.416 1.00 55.32 H new ATOM 0 HE2 TYR A 15 31.449 15.279 -9.425 1.00 42.20 H new ATOM 0 HH TYR A 15 33.604 15.195 -8.948 1.00 3.24 H new ATOM 218 N ASP A 16 26.461 19.189 -5.032 1.00 65.52 N ATOM 219 CA ASP A 16 25.205 19.889 -4.793 1.00 73.50 C ATOM 220 C ASP A 16 24.725 20.592 -6.059 1.00 1.12 C ATOM 221 O ASP A 16 25.100 21.734 -6.326 1.00 53.12 O ATOM 222 CB ASP A 16 25.369 20.904 -3.661 1.00 42.13 C ATOM 223 CG ASP A 16 26.571 21.806 -3.863 1.00 0.00 C ATOM 224 OD1 ASP A 16 27.712 21.307 -3.761 1.00 75.05 O ATOM 225 OD2 ASP A 16 26.371 23.011 -4.123 1.00 61.32 O ATOM 0 H ASP A 16 27.266 19.592 -4.552 1.00 65.52 H new ATOM 0 HA ASP A 16 24.456 19.152 -4.503 1.00 73.50 H new ATOM 0 HB2 ASP A 16 24.468 21.514 -3.590 1.00 42.13 H new ATOM 0 HB3 ASP A 16 25.471 20.374 -2.714 1.00 42.13 H new ATOM 230 N TYR A 17 23.896 19.903 -6.834 1.00 71.14 N ATOM 231 CA TYR A 17 23.368 20.460 -8.074 1.00 52.10 C ATOM 232 C TYR A 17 22.217 21.422 -7.792 1.00 63.45 C ATOM 233 O TYR A 17 21.461 21.239 -6.839 1.00 22.41 O ATOM 234 CB TYR A 17 22.895 19.339 -9.001 1.00 41.11 C ATOM 235 CG TYR A 17 22.185 19.837 -10.240 1.00 34.34 C ATOM 236 CD1 TYR A 17 22.887 20.461 -11.263 1.00 73.14 C ATOM 237 CD2 TYR A 17 20.812 19.684 -10.386 1.00 35.44 C ATOM 238 CE1 TYR A 17 22.242 20.918 -12.396 1.00 72.15 C ATOM 239 CE2 TYR A 17 20.159 20.136 -11.516 1.00 14.02 C ATOM 240 CZ TYR A 17 20.878 20.753 -12.518 1.00 71.42 C ATOM 241 OH TYR A 17 20.231 21.206 -13.645 1.00 30.01 O ATOM 0 H TYR A 17 23.575 18.958 -6.626 1.00 71.14 H new ATOM 0 HA TYR A 17 24.169 21.013 -8.564 1.00 52.10 H new ATOM 0 HB2 TYR A 17 23.755 18.740 -9.301 1.00 41.11 H new ATOM 0 HB3 TYR A 17 22.225 18.680 -8.448 1.00 41.11 H new ATOM 0 HD1 TYR A 17 23.955 20.591 -11.171 1.00 73.14 H new ATOM 0 HD2 TYR A 17 20.245 19.203 -9.602 1.00 35.44 H new ATOM 0 HE1 TYR A 17 22.803 21.402 -13.182 1.00 72.15 H new ATOM 0 HE2 TYR A 17 19.091 20.007 -11.614 1.00 14.02 H new ATOM 0 HH TYR A 17 19.273 21.011 -13.573 1.00 30.01 H new ATOM 251 N GLN A 18 22.092 22.446 -8.630 1.00 62.23 N ATOM 252 CA GLN A 18 21.034 23.437 -8.472 1.00 62.42 C ATOM 253 C GLN A 18 20.437 23.816 -9.823 1.00 71.44 C ATOM 254 O GLN A 18 21.149 24.249 -10.730 1.00 70.41 O ATOM 255 CB GLN A 18 21.576 24.685 -7.773 1.00 33.54 C ATOM 256 CG GLN A 18 21.573 24.581 -6.256 1.00 23.00 C ATOM 257 CD GLN A 18 21.824 25.914 -5.580 1.00 0.44 C ATOM 258 OE1 GLN A 18 21.865 26.957 -6.233 1.00 52.12 O ATOM 259 NE2 GLN A 18 21.994 25.888 -4.263 1.00 34.12 N ATOM 0 H GLN A 18 22.710 22.611 -9.425 1.00 62.23 H new ATOM 0 HA GLN A 18 20.248 22.997 -7.858 1.00 62.42 H new ATOM 0 HB2 GLN A 18 22.595 24.869 -8.114 1.00 33.54 H new ATOM 0 HB3 GLN A 18 20.979 25.547 -8.071 1.00 33.54 H new ATOM 0 HG2 GLN A 18 20.613 24.185 -5.925 1.00 23.00 H new ATOM 0 HG3 GLN A 18 22.337 23.869 -5.943 1.00 23.00 H new ATOM 0 HE21 GLN A 18 21.952 25.001 -3.761 1.00 34.12 H new ATOM 0 HE22 GLN A 18 22.166 26.755 -3.754 1.00 34.12 H new ATOM 268 N THR A 19 19.124 23.650 -9.952 1.00 61.42 N ATOM 269 CA THR A 19 18.431 23.973 -11.193 1.00 20.51 C ATOM 270 C THR A 19 17.984 25.430 -11.210 1.00 24.11 C ATOM 271 O THR A 19 17.909 26.078 -10.167 1.00 30.21 O ATOM 272 CB THR A 19 17.202 23.068 -11.401 1.00 54.24 C ATOM 273 OG1 THR A 19 16.487 23.475 -12.574 1.00 1.44 O ATOM 274 CG2 THR A 19 16.278 23.123 -10.194 1.00 3.33 C ATOM 0 H THR A 19 18.519 23.294 -9.212 1.00 61.42 H new ATOM 0 HA THR A 19 19.139 23.804 -12.004 1.00 20.51 H new ATOM 0 HB THR A 19 17.551 22.043 -11.525 1.00 54.24 H new ATOM 0 HG1 THR A 19 15.563 23.696 -12.334 1.00 1.44 H new ATOM 0 HG21 THR A 19 15.418 22.476 -10.365 1.00 3.33 H new ATOM 0 HG22 THR A 19 16.816 22.785 -9.308 1.00 3.33 H new ATOM 0 HG23 THR A 19 15.937 24.147 -10.043 1.00 3.33 H new ATOM 282 N ASN A 20 17.689 25.939 -12.401 1.00 55.52 N ATOM 283 CA ASN A 20 17.249 27.322 -12.553 1.00 73.44 C ATOM 284 C ASN A 20 15.726 27.409 -12.570 1.00 54.13 C ATOM 285 O ASN A 20 15.149 28.439 -12.221 1.00 51.32 O ATOM 286 CB ASN A 20 17.819 27.922 -13.840 1.00 64.40 C ATOM 287 CG ASN A 20 17.136 29.220 -14.225 1.00 64.43 C ATOM 288 OD1 ASN A 20 16.595 29.347 -15.324 1.00 4.12 O ATOM 289 ND2 ASN A 20 17.159 30.191 -13.320 1.00 51.12 N ATOM 0 H ASN A 20 17.746 25.416 -13.275 1.00 55.52 H new ATOM 0 HA ASN A 20 17.619 27.891 -11.700 1.00 73.44 H new ATOM 0 HB2 ASN A 20 18.887 28.100 -13.713 1.00 64.40 H new ATOM 0 HB3 ASN A 20 17.711 27.203 -14.652 1.00 64.40 H new ATOM 0 HD21 ASN A 20 16.716 31.087 -13.522 1.00 51.12 H new ATOM 0 HD22 ASN A 20 17.619 30.041 -12.422 1.00 51.12 H new ATOM 296 N ASP A 21 15.081 26.322 -12.978 1.00 33.44 N ATOM 297 CA ASP A 21 13.624 26.274 -13.039 1.00 4.05 C ATOM 298 C ASP A 21 13.080 25.154 -12.158 1.00 30.14 C ATOM 299 O ASP A 21 13.789 24.214 -11.798 1.00 33.40 O ATOM 300 CB ASP A 21 13.159 26.076 -14.482 1.00 42.30 C ATOM 301 CG ASP A 21 12.968 27.390 -15.214 1.00 11.22 C ATOM 302 OD1 ASP A 21 11.957 28.075 -14.950 1.00 72.34 O ATOM 303 OD2 ASP A 21 13.830 27.735 -16.049 1.00 74.52 O ATOM 0 H ASP A 21 15.544 25.462 -13.272 1.00 33.44 H new ATOM 0 HA ASP A 21 13.238 27.224 -12.668 1.00 4.05 H new ATOM 0 HB2 ASP A 21 13.890 25.469 -15.016 1.00 42.30 H new ATOM 0 HB3 ASP A 21 12.220 25.522 -14.485 1.00 42.30 H new ATOM 308 N PRO A 22 11.791 25.255 -11.800 1.00 2.32 N ATOM 309 CA PRO A 22 11.123 24.260 -10.956 1.00 62.11 C ATOM 310 C PRO A 22 10.920 22.932 -11.677 1.00 23.52 C ATOM 311 O PRO A 22 10.660 21.907 -11.046 1.00 44.13 O ATOM 312 CB PRO A 22 9.773 24.910 -10.642 1.00 63.41 C ATOM 313 CG PRO A 22 9.532 25.848 -11.774 1.00 21.02 C ATOM 314 CD PRO A 22 10.887 26.349 -12.192 1.00 12.20 C ATOM 0 HA PRO A 22 11.710 24.016 -10.071 1.00 62.11 H new ATOM 0 HB2 PRO A 22 8.981 24.164 -10.571 1.00 63.41 H new ATOM 0 HB3 PRO A 22 9.800 25.438 -9.689 1.00 63.41 H new ATOM 0 HG2 PRO A 22 9.031 25.343 -12.600 1.00 21.02 H new ATOM 0 HG3 PRO A 22 8.889 26.673 -11.467 1.00 21.02 H new ATOM 0 HD2 PRO A 22 10.931 26.542 -13.264 1.00 12.20 H new ATOM 0 HD3 PRO A 22 11.143 27.282 -11.689 1.00 12.20 H new ATOM 322 N GLN A 23 11.041 22.957 -13.000 1.00 61.01 N ATOM 323 CA GLN A 23 10.870 21.754 -13.806 1.00 23.44 C ATOM 324 C GLN A 23 11.865 20.675 -13.390 1.00 63.14 C ATOM 325 O GLN A 23 11.513 19.501 -13.284 1.00 70.21 O ATOM 326 CB GLN A 23 11.043 22.079 -15.290 1.00 40.31 C ATOM 327 CG GLN A 23 10.283 21.139 -16.212 1.00 10.13 C ATOM 328 CD GLN A 23 8.800 21.089 -15.900 1.00 62.13 C ATOM 329 OE1 GLN A 23 8.159 22.122 -15.707 1.00 4.42 O ATOM 330 NE2 GLN A 23 8.246 19.883 -15.850 1.00 50.23 N ATOM 0 H GLN A 23 11.257 23.797 -13.537 1.00 61.01 H new ATOM 0 HA GLN A 23 9.861 21.376 -13.640 1.00 23.44 H new ATOM 0 HB2 GLN A 23 10.709 23.101 -15.471 1.00 40.31 H new ATOM 0 HB3 GLN A 23 12.103 22.041 -15.540 1.00 40.31 H new ATOM 0 HG2 GLN A 23 10.423 21.458 -17.245 1.00 10.13 H new ATOM 0 HG3 GLN A 23 10.702 20.136 -16.128 1.00 10.13 H new ATOM 0 HE21 GLN A 23 8.815 19.053 -16.017 1.00 50.23 H new ATOM 0 HE22 GLN A 23 7.251 19.787 -15.645 1.00 50.23 H new ATOM 339 N GLU A 24 13.109 21.082 -13.158 1.00 3.14 N ATOM 340 CA GLU A 24 14.155 20.149 -12.755 1.00 61.03 C ATOM 341 C GLU A 24 14.356 20.177 -11.243 1.00 24.51 C ATOM 342 O GLU A 24 13.903 21.097 -10.561 1.00 42.13 O ATOM 343 CB GLU A 24 15.470 20.486 -13.462 1.00 74.00 C ATOM 344 CG GLU A 24 15.287 20.957 -14.895 1.00 71.00 C ATOM 345 CD GLU A 24 14.521 19.960 -15.744 1.00 2.45 C ATOM 346 OE1 GLU A 24 13.273 19.989 -15.710 1.00 0.10 O ATOM 347 OE2 GLU A 24 15.169 19.152 -16.440 1.00 44.14 O ATOM 0 H GLU A 24 13.417 22.051 -13.242 1.00 3.14 H new ATOM 0 HA GLU A 24 13.842 19.146 -13.044 1.00 61.03 H new ATOM 0 HB2 GLU A 24 15.988 21.261 -12.897 1.00 74.00 H new ATOM 0 HB3 GLU A 24 16.112 19.605 -13.457 1.00 74.00 H new ATOM 0 HG2 GLU A 24 14.759 21.910 -14.895 1.00 71.00 H new ATOM 0 HG3 GLU A 24 16.265 21.134 -15.343 1.00 71.00 H new ATOM 354 N LEU A 25 15.039 19.161 -10.724 1.00 55.43 N ATOM 355 CA LEU A 25 15.300 19.068 -9.292 1.00 63.43 C ATOM 356 C LEU A 25 16.763 19.371 -8.985 1.00 43.11 C ATOM 357 O LEU A 25 17.574 19.550 -9.893 1.00 63.43 O ATOM 358 CB LEU A 25 14.938 17.673 -8.778 1.00 0.31 C ATOM 359 CG LEU A 25 13.847 17.615 -7.709 1.00 15.04 C ATOM 360 CD1 LEU A 25 12.576 18.287 -8.206 1.00 1.25 C ATOM 361 CD2 LEU A 25 13.568 16.173 -7.309 1.00 0.42 C ATOM 0 H LEU A 25 15.421 18.391 -11.273 1.00 55.43 H new ATOM 0 HA LEU A 25 14.680 19.808 -8.785 1.00 63.43 H new ATOM 0 HB2 LEU A 25 14.621 17.066 -9.626 1.00 0.31 H new ATOM 0 HB3 LEU A 25 15.839 17.211 -8.375 1.00 0.31 H new ATOM 0 HG LEU A 25 14.199 18.154 -6.829 1.00 15.04 H new ATOM 0 HD11 LEU A 25 11.811 18.236 -7.432 1.00 1.25 H new ATOM 0 HD12 LEU A 25 12.784 19.331 -8.442 1.00 1.25 H new ATOM 0 HD13 LEU A 25 12.221 17.777 -9.101 1.00 1.25 H new ATOM 0 HD21 LEU A 25 12.789 16.151 -6.547 1.00 0.42 H new ATOM 0 HD22 LEU A 25 13.238 15.611 -8.182 1.00 0.42 H new ATOM 0 HD23 LEU A 25 14.478 15.723 -6.911 1.00 0.42 H new ATOM 373 N ALA A 26 17.093 19.426 -7.699 1.00 25.10 N ATOM 374 CA ALA A 26 18.459 19.703 -7.272 1.00 43.31 C ATOM 375 C ALA A 26 19.052 18.515 -6.523 1.00 23.11 C ATOM 376 O ALA A 26 18.327 17.724 -5.919 1.00 33.22 O ATOM 377 CB ALA A 26 18.497 20.951 -6.402 1.00 22.33 C ATOM 0 H ALA A 26 16.433 19.282 -6.935 1.00 25.10 H new ATOM 0 HA ALA A 26 19.064 19.876 -8.162 1.00 43.31 H new ATOM 0 HB1 ALA A 26 19.523 21.146 -6.090 1.00 22.33 H new ATOM 0 HB2 ALA A 26 18.122 21.802 -6.970 1.00 22.33 H new ATOM 0 HB3 ALA A 26 17.873 20.800 -5.521 1.00 22.33 H new ATOM 383 N LEU A 27 20.375 18.394 -6.566 1.00 55.34 N ATOM 384 CA LEU A 27 21.066 17.301 -5.892 1.00 33.03 C ATOM 385 C LEU A 27 21.832 17.810 -4.675 1.00 63.21 C ATOM 386 O LEU A 27 22.166 18.992 -4.589 1.00 65.44 O ATOM 387 CB LEU A 27 22.025 16.604 -6.858 1.00 51.23 C ATOM 388 CG LEU A 27 21.403 16.056 -8.143 1.00 35.11 C ATOM 389 CD1 LEU A 27 22.455 15.929 -9.234 1.00 35.12 C ATOM 390 CD2 LEU A 27 20.737 14.712 -7.882 1.00 41.50 C ATOM 0 H LEU A 27 20.990 19.040 -7.061 1.00 55.34 H new ATOM 0 HA LEU A 27 20.317 16.584 -5.554 1.00 33.03 H new ATOM 0 HB2 LEU A 27 22.811 17.309 -7.130 1.00 51.23 H new ATOM 0 HB3 LEU A 27 22.505 15.780 -6.330 1.00 51.23 H new ATOM 0 HG LEU A 27 20.641 16.757 -8.483 1.00 35.11 H new ATOM 0 HD11 LEU A 27 21.994 15.538 -10.141 1.00 35.12 H new ATOM 0 HD12 LEU A 27 22.886 16.909 -9.440 1.00 35.12 H new ATOM 0 HD13 LEU A 27 23.241 15.249 -8.904 1.00 35.12 H new ATOM 0 HD21 LEU A 27 20.300 14.337 -8.807 1.00 41.50 H new ATOM 0 HD22 LEU A 27 21.480 14.002 -7.518 1.00 41.50 H new ATOM 0 HD23 LEU A 27 19.954 14.833 -7.134 1.00 41.50 H new ATOM 402 N ARG A 28 22.109 16.909 -3.738 1.00 3.43 N ATOM 403 CA ARG A 28 22.838 17.267 -2.526 1.00 74.14 C ATOM 404 C ARG A 28 24.022 16.330 -2.308 1.00 10.14 C ATOM 405 O ARG A 28 23.874 15.108 -2.339 1.00 52.30 O ATOM 406 CB ARG A 28 21.906 17.221 -1.314 1.00 23.24 C ATOM 407 CG ARG A 28 20.892 18.352 -1.281 1.00 54.04 C ATOM 408 CD ARG A 28 21.480 19.610 -0.662 1.00 54.43 C ATOM 409 NE ARG A 28 21.626 19.491 0.786 1.00 70.12 N ATOM 410 CZ ARG A 28 22.361 20.318 1.521 1.00 62.22 C ATOM 411 NH1 ARG A 28 23.013 21.319 0.946 1.00 10.33 N ATOM 412 NH2 ARG A 28 22.445 20.144 2.834 1.00 41.14 N ATOM 0 H ARG A 28 21.840 15.927 -3.794 1.00 3.43 H new ATOM 0 HA ARG A 28 23.218 18.282 -2.645 1.00 74.14 H new ATOM 0 HB2 ARG A 28 21.375 16.269 -1.311 1.00 23.24 H new ATOM 0 HB3 ARG A 28 22.505 17.255 -0.404 1.00 23.24 H new ATOM 0 HG2 ARG A 28 20.553 18.568 -2.294 1.00 54.04 H new ATOM 0 HG3 ARG A 28 20.016 18.040 -0.712 1.00 54.04 H new ATOM 0 HD2 ARG A 28 22.453 19.813 -1.109 1.00 54.43 H new ATOM 0 HD3 ARG A 28 20.839 20.461 -0.893 1.00 54.43 H new ATOM 0 HE ARG A 28 21.137 18.731 1.259 1.00 70.12 H new ATOM 0 HH11 ARG A 28 22.951 21.455 -0.063 1.00 10.33 H new ATOM 0 HH12 ARG A 28 23.577 21.953 1.513 1.00 10.33 H new ATOM 0 HH21 ARG A 28 21.945 19.375 3.280 1.00 41.14 H new ATOM 0 HH22 ARG A 28 23.010 20.780 3.398 1.00 41.14 H new ATOM 426 N ARG A 29 25.197 16.911 -2.087 1.00 15.34 N ATOM 427 CA ARG A 29 26.406 16.129 -1.864 1.00 64.35 C ATOM 428 C ARG A 29 26.184 15.081 -0.778 1.00 22.31 C ATOM 429 O ARG A 29 25.621 15.374 0.275 1.00 12.55 O ATOM 430 CB ARG A 29 27.568 17.045 -1.474 1.00 54.13 C ATOM 431 CG ARG A 29 28.934 16.402 -1.644 1.00 44.32 C ATOM 432 CD ARG A 29 30.016 17.194 -0.925 1.00 75.30 C ATOM 433 NE ARG A 29 31.243 16.420 -0.761 1.00 61.43 N ATOM 434 CZ ARG A 29 32.299 16.852 -0.081 1.00 20.41 C ATOM 435 NH1 ARG A 29 32.277 18.045 0.496 1.00 30.03 N ATOM 436 NH2 ARG A 29 33.380 16.089 0.024 1.00 71.05 N ATOM 0 H ARG A 29 25.337 17.921 -2.058 1.00 15.34 H new ATOM 0 HA ARG A 29 26.653 15.617 -2.794 1.00 64.35 H new ATOM 0 HB2 ARG A 29 27.524 17.951 -2.079 1.00 54.13 H new ATOM 0 HB3 ARG A 29 27.446 17.350 -0.435 1.00 54.13 H new ATOM 0 HG2 ARG A 29 28.909 15.384 -1.256 1.00 44.32 H new ATOM 0 HG3 ARG A 29 29.176 16.334 -2.705 1.00 44.32 H new ATOM 0 HD2 ARG A 29 30.233 18.103 -1.486 1.00 75.30 H new ATOM 0 HD3 ARG A 29 29.649 17.503 0.054 1.00 75.30 H new ATOM 0 HE ARG A 29 31.292 15.497 -1.192 1.00 61.43 H new ATOM 0 HH11 ARG A 29 31.448 18.634 0.418 1.00 30.03 H new ATOM 0 HH12 ARG A 29 33.089 18.374 1.018 1.00 30.03 H new ATOM 0 HH21 ARG A 29 33.400 15.170 -0.418 1.00 71.05 H new ATOM 0 HH22 ARG A 29 34.190 16.422 0.546 1.00 71.05 H new ATOM 450 N ASN A 30 26.631 13.857 -1.043 1.00 13.21 N ATOM 451 CA ASN A 30 26.480 12.765 -0.088 1.00 53.12 C ATOM 452 C ASN A 30 25.006 12.452 0.151 1.00 32.30 C ATOM 453 O ASN A 30 24.538 12.455 1.289 1.00 72.30 O ATOM 454 CB ASN A 30 27.159 13.120 1.236 1.00 13.01 C ATOM 455 CG ASN A 30 28.503 13.792 1.035 1.00 64.43 C ATOM 456 OD1 ASN A 30 29.440 13.187 0.512 1.00 32.44 O ATOM 457 ND2 ASN A 30 28.605 15.049 1.450 1.00 54.05 N ATOM 0 H ASN A 30 27.100 13.597 -1.910 1.00 13.21 H new ATOM 0 HA ASN A 30 26.958 11.880 -0.507 1.00 53.12 H new ATOM 0 HB2 ASN A 30 26.508 13.780 1.809 1.00 13.01 H new ATOM 0 HB3 ASN A 30 27.294 12.214 1.826 1.00 13.01 H new ATOM 0 HD21 ASN A 30 29.485 15.552 1.341 1.00 54.05 H new ATOM 0 HD22 ASN A 30 27.803 15.511 1.878 1.00 54.05 H new ATOM 464 N GLU A 31 24.281 12.181 -0.930 1.00 11.10 N ATOM 465 CA GLU A 31 22.860 11.866 -0.837 1.00 22.22 C ATOM 466 C GLU A 31 22.457 10.853 -1.904 1.00 74.14 C ATOM 467 O GLU A 31 23.162 10.667 -2.896 1.00 34.14 O ATOM 468 CB GLU A 31 22.022 13.138 -0.982 1.00 62.23 C ATOM 469 CG GLU A 31 20.752 13.129 -0.148 1.00 63.22 C ATOM 470 CD GLU A 31 21.018 13.391 1.322 1.00 72.44 C ATOM 471 OE1 GLU A 31 21.980 14.126 1.628 1.00 32.12 O ATOM 472 OE2 GLU A 31 20.265 12.861 2.165 1.00 73.32 O ATOM 0 H GLU A 31 24.654 12.173 -1.879 1.00 11.10 H new ATOM 0 HA GLU A 31 22.674 11.428 0.144 1.00 22.22 H new ATOM 0 HB2 GLU A 31 22.629 13.997 -0.696 1.00 62.23 H new ATOM 0 HB3 GLU A 31 21.757 13.271 -2.031 1.00 62.23 H new ATOM 0 HG2 GLU A 31 20.066 13.885 -0.530 1.00 63.22 H new ATOM 0 HG3 GLU A 31 20.257 12.164 -0.258 1.00 63.22 H new ATOM 479 N GLU A 32 21.318 10.201 -1.693 1.00 34.13 N ATOM 480 CA GLU A 32 20.821 9.206 -2.636 1.00 20.11 C ATOM 481 C GLU A 32 19.512 9.664 -3.271 1.00 54.33 C ATOM 482 O GLU A 32 18.784 10.479 -2.702 1.00 65.21 O ATOM 483 CB GLU A 32 20.617 7.862 -1.933 1.00 73.04 C ATOM 484 CG GLU A 32 21.830 6.950 -2.000 1.00 72.54 C ATOM 485 CD GLU A 32 22.742 7.103 -0.799 1.00 22.21 C ATOM 486 OE1 GLU A 32 22.311 6.756 0.321 1.00 53.32 O ATOM 487 OE2 GLU A 32 23.887 7.569 -0.978 1.00 15.12 O ATOM 0 H GLU A 32 20.722 10.344 -0.878 1.00 34.13 H new ATOM 0 HA GLU A 32 21.564 9.087 -3.424 1.00 20.11 H new ATOM 0 HB2 GLU A 32 20.366 8.043 -0.888 1.00 73.04 H new ATOM 0 HB3 GLU A 32 19.764 7.352 -2.382 1.00 73.04 H new ATOM 0 HG2 GLU A 32 21.498 5.914 -2.069 1.00 72.54 H new ATOM 0 HG3 GLU A 32 22.392 7.166 -2.908 1.00 72.54 H new ATOM 494 N TYR A 33 19.218 9.136 -4.454 1.00 62.12 N ATOM 495 CA TYR A 33 17.999 9.492 -5.169 1.00 55.42 C ATOM 496 C TYR A 33 17.442 8.292 -5.930 1.00 3.35 C ATOM 497 O TYR A 33 18.153 7.650 -6.704 1.00 20.15 O ATOM 498 CB TYR A 33 18.269 10.644 -6.139 1.00 70.10 C ATOM 499 CG TYR A 33 18.630 11.942 -5.452 1.00 71.24 C ATOM 500 CD1 TYR A 33 17.646 12.847 -5.073 1.00 71.32 C ATOM 501 CD2 TYR A 33 19.954 12.264 -5.184 1.00 24.34 C ATOM 502 CE1 TYR A 33 17.971 14.034 -4.446 1.00 52.12 C ATOM 503 CE2 TYR A 33 20.288 13.448 -4.556 1.00 24.12 C ATOM 504 CZ TYR A 33 19.293 14.330 -4.189 1.00 63.12 C ATOM 505 OH TYR A 33 19.622 15.511 -3.565 1.00 1.31 O ATOM 0 H TYR A 33 19.808 8.459 -4.938 1.00 62.12 H new ATOM 0 HA TYR A 33 17.258 9.809 -4.435 1.00 55.42 H new ATOM 0 HB2 TYR A 33 19.080 10.360 -6.810 1.00 70.10 H new ATOM 0 HB3 TYR A 33 17.385 10.803 -6.756 1.00 70.10 H new ATOM 0 HD1 TYR A 33 16.609 12.618 -5.272 1.00 71.32 H new ATOM 0 HD2 TYR A 33 20.736 11.577 -5.472 1.00 24.34 H new ATOM 0 HE1 TYR A 33 17.194 14.727 -4.159 1.00 52.12 H new ATOM 0 HE2 TYR A 33 21.323 13.682 -4.353 1.00 24.12 H new ATOM 0 HH TYR A 33 19.943 15.324 -2.658 1.00 1.31 H new ATOM 515 N CYS A 34 16.167 7.997 -5.704 1.00 22.35 N ATOM 516 CA CYS A 34 15.514 6.874 -6.366 1.00 75.24 C ATOM 517 C CYS A 34 15.367 7.136 -7.862 1.00 34.23 C ATOM 518 O CYS A 34 14.526 7.931 -8.284 1.00 71.11 O ATOM 519 CB CYS A 34 14.140 6.616 -5.744 1.00 44.31 C ATOM 520 SG CYS A 34 14.151 6.541 -3.938 1.00 21.24 S ATOM 0 H CYS A 34 15.565 8.520 -5.068 1.00 22.35 H new ATOM 0 HA CYS A 34 16.138 5.991 -6.229 1.00 75.24 H new ATOM 0 HB2 CYS A 34 13.456 7.404 -6.060 1.00 44.31 H new ATOM 0 HB3 CYS A 34 13.747 5.677 -6.134 1.00 44.31 H new ATOM 0 HG CYS A 34 12.945 6.322 -3.505 1.00 21.24 H new ATOM 526 N LEU A 35 16.190 6.464 -8.658 1.00 64.14 N ATOM 527 CA LEU A 35 16.154 6.625 -10.108 1.00 32.12 C ATOM 528 C LEU A 35 14.801 6.200 -10.669 1.00 34.11 C ATOM 529 O LEU A 35 14.285 5.132 -10.335 1.00 4.24 O ATOM 530 CB LEU A 35 17.269 5.806 -10.760 1.00 21.10 C ATOM 531 CG LEU A 35 17.826 6.357 -12.073 1.00 25.10 C ATOM 532 CD1 LEU A 35 16.738 6.413 -13.133 1.00 72.23 C ATOM 533 CD2 LEU A 35 18.435 7.735 -11.857 1.00 60.15 C ATOM 0 H LEU A 35 16.891 5.802 -8.325 1.00 64.14 H new ATOM 0 HA LEU A 35 16.306 7.680 -10.336 1.00 32.12 H new ATOM 0 HB2 LEU A 35 18.090 5.717 -10.049 1.00 21.10 H new ATOM 0 HB3 LEU A 35 16.894 4.799 -10.942 1.00 21.10 H new ATOM 0 HG LEU A 35 18.610 5.686 -12.423 1.00 25.10 H new ATOM 0 HD11 LEU A 35 17.153 6.808 -14.060 1.00 72.23 H new ATOM 0 HD12 LEU A 35 16.348 5.410 -13.308 1.00 72.23 H new ATOM 0 HD13 LEU A 35 15.931 7.061 -12.792 1.00 72.23 H new ATOM 0 HD21 LEU A 35 18.827 8.112 -12.802 1.00 60.15 H new ATOM 0 HD22 LEU A 35 17.670 8.416 -11.483 1.00 60.15 H new ATOM 0 HD23 LEU A 35 19.245 7.665 -11.131 1.00 60.15 H new ATOM 545 N LEU A 36 14.231 7.041 -11.525 1.00 34.31 N ATOM 546 CA LEU A 36 12.938 6.752 -12.135 1.00 75.53 C ATOM 547 C LEU A 36 13.072 6.591 -13.646 1.00 63.41 C ATOM 548 O LEU A 36 12.584 5.619 -14.223 1.00 33.11 O ATOM 549 CB LEU A 36 11.940 7.867 -11.817 1.00 22.34 C ATOM 550 CG LEU A 36 11.409 7.903 -10.383 1.00 72.43 C ATOM 551 CD1 LEU A 36 12.028 9.059 -9.613 1.00 72.23 C ATOM 552 CD2 LEU A 36 9.891 8.009 -10.380 1.00 12.12 C ATOM 0 H LEU A 36 14.644 7.928 -11.812 1.00 34.31 H new ATOM 0 HA LEU A 36 12.570 5.814 -11.719 1.00 75.53 H new ATOM 0 HB2 LEU A 36 12.415 8.824 -12.032 1.00 22.34 H new ATOM 0 HB3 LEU A 36 11.092 7.773 -12.495 1.00 22.34 H new ATOM 0 HG LEU A 36 11.690 6.973 -9.888 1.00 72.43 H new ATOM 0 HD11 LEU A 36 11.638 9.068 -8.595 1.00 72.23 H new ATOM 0 HD12 LEU A 36 13.111 8.939 -9.586 1.00 72.23 H new ATOM 0 HD13 LEU A 36 11.779 9.999 -10.105 1.00 72.23 H new ATOM 0 HD21 LEU A 36 9.530 8.033 -9.352 1.00 12.12 H new ATOM 0 HD22 LEU A 36 9.589 8.922 -10.892 1.00 12.12 H new ATOM 0 HD23 LEU A 36 9.465 7.147 -10.894 1.00 12.12 H new ATOM 564 N ASP A 37 13.740 7.548 -14.281 1.00 15.25 N ATOM 565 CA ASP A 37 13.942 7.511 -15.724 1.00 51.42 C ATOM 566 C ASP A 37 15.369 7.913 -16.083 1.00 62.13 C ATOM 567 O ASP A 37 15.825 9.002 -15.734 1.00 31.44 O ATOM 568 CB ASP A 37 12.947 8.438 -16.424 1.00 52.40 C ATOM 569 CG ASP A 37 12.053 7.698 -17.399 1.00 33.20 C ATOM 570 OD1 ASP A 37 12.478 7.493 -18.555 1.00 54.10 O ATOM 571 OD2 ASP A 37 10.928 7.324 -17.006 1.00 74.42 O ATOM 0 H ASP A 37 14.151 8.359 -13.818 1.00 15.25 H new ATOM 0 HA ASP A 37 13.775 6.489 -16.063 1.00 51.42 H new ATOM 0 HB2 ASP A 37 12.330 8.935 -15.676 1.00 52.40 H new ATOM 0 HB3 ASP A 37 13.493 9.217 -16.956 1.00 52.40 H new ATOM 576 N SER A 38 16.070 7.026 -16.782 1.00 70.15 N ATOM 577 CA SER A 38 17.447 7.286 -17.185 1.00 23.33 C ATOM 578 C SER A 38 17.659 6.936 -18.654 1.00 63.54 C ATOM 579 O SER A 38 17.908 5.780 -18.999 1.00 43.41 O ATOM 580 CB SER A 38 18.415 6.484 -16.313 1.00 24.41 C ATOM 581 OG SER A 38 17.922 5.177 -16.071 1.00 53.44 O ATOM 0 H SER A 38 15.707 6.121 -17.081 1.00 70.15 H new ATOM 0 HA SER A 38 17.644 8.350 -17.052 1.00 23.33 H new ATOM 0 HB2 SER A 38 19.387 6.424 -16.803 1.00 24.41 H new ATOM 0 HB3 SER A 38 18.568 7.000 -15.365 1.00 24.41 H new ATOM 0 HG SER A 38 17.666 4.761 -16.921 1.00 53.44 H new ATOM 587 N SER A 39 17.558 7.942 -19.517 1.00 4.25 N ATOM 588 CA SER A 39 17.735 7.742 -20.950 1.00 70.40 C ATOM 589 C SER A 39 19.116 8.211 -21.398 1.00 54.23 C ATOM 590 O SER A 39 19.785 7.542 -22.184 1.00 61.33 O ATOM 591 CB SER A 39 16.651 8.490 -21.728 1.00 45.35 C ATOM 592 OG SER A 39 15.435 7.764 -21.735 1.00 55.32 O ATOM 0 H SER A 39 17.354 8.905 -19.248 1.00 4.25 H new ATOM 0 HA SER A 39 17.649 6.675 -21.157 1.00 70.40 H new ATOM 0 HB2 SER A 39 16.490 9.471 -21.281 1.00 45.35 H new ATOM 0 HB3 SER A 39 16.984 8.657 -22.752 1.00 45.35 H new ATOM 0 HG SER A 39 14.758 8.264 -22.237 1.00 55.32 H new ATOM 598 N GLU A 40 19.534 9.367 -20.892 1.00 30.00 N ATOM 599 CA GLU A 40 20.834 9.927 -21.241 1.00 23.01 C ATOM 600 C GLU A 40 21.276 10.961 -20.209 1.00 52.34 C ATOM 601 O GLU A 40 20.459 11.485 -19.452 1.00 13.24 O ATOM 602 CB GLU A 40 20.783 10.566 -22.630 1.00 62.23 C ATOM 603 CG GLU A 40 21.924 10.140 -23.539 1.00 22.44 C ATOM 604 CD GLU A 40 21.455 9.296 -24.708 1.00 40.32 C ATOM 605 OE1 GLU A 40 20.446 9.671 -25.341 1.00 74.44 O ATOM 606 OE2 GLU A 40 22.096 8.263 -24.990 1.00 64.23 O ATOM 0 H GLU A 40 18.992 9.933 -20.240 1.00 30.00 H new ATOM 0 HA GLU A 40 21.560 9.114 -21.250 1.00 23.01 H new ATOM 0 HB2 GLU A 40 19.836 10.308 -23.105 1.00 62.23 H new ATOM 0 HB3 GLU A 40 20.801 11.651 -22.523 1.00 62.23 H new ATOM 0 HG2 GLU A 40 22.433 11.027 -23.917 1.00 22.44 H new ATOM 0 HG3 GLU A 40 22.655 9.576 -22.959 1.00 22.44 H new ATOM 613 N ILE A 41 22.573 11.249 -20.187 1.00 13.33 N ATOM 614 CA ILE A 41 23.123 12.221 -19.249 1.00 73.34 C ATOM 615 C ILE A 41 22.426 13.571 -19.385 1.00 25.41 C ATOM 616 O ILE A 41 22.490 14.407 -18.484 1.00 1.43 O ATOM 617 CB ILE A 41 24.636 12.413 -19.461 1.00 21.30 C ATOM 618 CG1 ILE A 41 25.192 13.414 -18.446 1.00 21.50 C ATOM 619 CG2 ILE A 41 24.917 12.879 -20.882 1.00 3.14 C ATOM 620 CD1 ILE A 41 26.699 13.538 -18.483 1.00 62.41 C ATOM 0 H ILE A 41 23.262 10.824 -20.807 1.00 13.33 H new ATOM 0 HA ILE A 41 22.952 11.826 -18.248 1.00 73.34 H new ATOM 0 HB ILE A 41 25.134 11.455 -19.309 1.00 21.30 H new ATOM 0 HG12 ILE A 41 24.750 14.393 -18.634 1.00 21.50 H new ATOM 0 HG13 ILE A 41 24.885 13.112 -17.445 1.00 21.50 H new ATOM 0 HG21 ILE A 41 25.991 13.010 -21.016 1.00 3.14 H new ATOM 0 HG22 ILE A 41 24.551 12.134 -21.588 1.00 3.14 H new ATOM 0 HG23 ILE A 41 24.410 13.827 -21.061 1.00 3.14 H new ATOM 0 HD11 ILE A 41 27.023 14.264 -17.738 1.00 62.41 H new ATOM 0 HD12 ILE A 41 27.149 12.569 -18.265 1.00 62.41 H new ATOM 0 HD13 ILE A 41 27.013 13.870 -19.473 1.00 62.41 H new ATOM 632 N HIS A 42 21.760 13.776 -20.517 1.00 21.33 N ATOM 633 CA HIS A 42 21.049 15.024 -20.770 1.00 31.23 C ATOM 634 C HIS A 42 20.080 15.337 -19.634 1.00 31.14 C ATOM 635 O HIS A 42 20.036 16.461 -19.135 1.00 2.42 O ATOM 636 CB HIS A 42 20.290 14.944 -22.095 1.00 25.41 C ATOM 637 CG HIS A 42 21.147 14.527 -23.251 1.00 32.01 C ATOM 638 ND1 HIS A 42 22.498 14.795 -23.322 1.00 14.10 N ATOM 639 CD2 HIS A 42 20.838 13.856 -24.385 1.00 52.11 C ATOM 640 CE1 HIS A 42 22.982 14.309 -24.451 1.00 31.23 C ATOM 641 NE2 HIS A 42 21.995 13.733 -25.114 1.00 1.51 N ATOM 0 H HIS A 42 21.698 13.094 -21.273 1.00 21.33 H new ATOM 0 HA HIS A 42 21.784 15.826 -20.829 1.00 31.23 H new ATOM 0 HB2 HIS A 42 19.466 14.238 -21.991 1.00 25.41 H new ATOM 0 HB3 HIS A 42 19.850 15.917 -22.312 1.00 25.41 H new ATOM 0 HD2 HIS A 42 19.863 13.486 -24.665 1.00 52.11 H new ATOM 0 HE1 HIS A 42 24.010 14.372 -24.777 1.00 31.23 H new ATOM 0 HE2 HIS A 42 22.079 13.272 -26.020 1.00 1.51 H new ATOM 649 N TRP A 43 19.305 14.336 -19.231 1.00 5.13 N ATOM 650 CA TRP A 43 18.336 14.506 -18.154 1.00 24.42 C ATOM 651 C TRP A 43 18.021 13.170 -17.490 1.00 23.30 C ATOM 652 O TRP A 43 17.686 12.196 -18.164 1.00 20.53 O ATOM 653 CB TRP A 43 17.052 15.138 -18.691 1.00 75.11 C ATOM 654 CG TRP A 43 16.366 14.300 -19.728 1.00 12.52 C ATOM 655 CD1 TRP A 43 16.501 14.400 -21.083 1.00 44.51 C ATOM 656 CD2 TRP A 43 15.436 13.237 -19.493 1.00 2.21 C ATOM 657 NE1 TRP A 43 15.712 13.463 -21.705 1.00 11.31 N ATOM 658 CE2 TRP A 43 15.049 12.737 -20.751 1.00 62.45 C ATOM 659 CE3 TRP A 43 14.895 12.658 -18.342 1.00 73.13 C ATOM 660 CZ2 TRP A 43 14.146 11.686 -20.889 1.00 15.34 C ATOM 661 CZ3 TRP A 43 13.998 11.616 -18.480 1.00 72.21 C ATOM 662 CH2 TRP A 43 13.631 11.138 -19.745 1.00 51.13 C ATOM 0 H TRP A 43 19.329 13.399 -19.633 1.00 5.13 H new ATOM 0 HA TRP A 43 18.773 15.168 -17.406 1.00 24.42 H new ATOM 0 HB2 TRP A 43 16.366 15.311 -17.862 1.00 75.11 H new ATOM 0 HB3 TRP A 43 17.287 16.113 -19.119 1.00 75.11 H new ATOM 0 HD1 TRP A 43 17.135 15.111 -21.591 1.00 44.51 H new ATOM 0 HE1 TRP A 43 15.633 13.330 -22.713 1.00 11.31 H new ATOM 0 HE3 TRP A 43 15.173 13.018 -17.363 1.00 73.13 H new ATOM 0 HZ2 TRP A 43 13.862 11.317 -21.863 1.00 15.34 H new ATOM 0 HZ3 TRP A 43 13.572 11.162 -17.597 1.00 72.21 H new ATOM 0 HH2 TRP A 43 12.928 10.321 -19.819 1.00 51.13 H new ATOM 673 N TRP A 44 18.131 13.131 -16.167 1.00 53.30 N ATOM 674 CA TRP A 44 17.857 11.913 -15.413 1.00 14.43 C ATOM 675 C TRP A 44 16.765 12.150 -14.375 1.00 30.11 C ATOM 676 O TRP A 44 16.941 12.936 -13.444 1.00 32.01 O ATOM 677 CB TRP A 44 19.130 11.416 -14.727 1.00 43.21 C ATOM 678 CG TRP A 44 19.877 10.394 -15.530 1.00 12.12 C ATOM 679 CD1 TRP A 44 19.903 10.280 -16.890 1.00 72.14 C ATOM 680 CD2 TRP A 44 20.703 9.342 -15.021 1.00 23.50 C ATOM 681 NE1 TRP A 44 20.696 9.220 -17.258 1.00 73.41 N ATOM 682 CE2 TRP A 44 21.199 8.628 -16.130 1.00 1.22 C ATOM 683 CE3 TRP A 44 21.074 8.933 -13.737 1.00 44.50 C ATOM 684 CZ2 TRP A 44 22.044 7.531 -15.991 1.00 25.30 C ATOM 685 CZ3 TRP A 44 21.913 7.844 -13.601 1.00 23.21 C ATOM 686 CH2 TRP A 44 22.392 7.153 -14.722 1.00 75.03 C ATOM 0 H TRP A 44 18.408 13.928 -15.594 1.00 53.30 H new ATOM 0 HA TRP A 44 17.509 11.153 -16.112 1.00 14.43 H new ATOM 0 HB2 TRP A 44 19.785 12.265 -14.533 1.00 43.21 H new ATOM 0 HB3 TRP A 44 18.869 10.988 -13.759 1.00 43.21 H new ATOM 0 HD1 TRP A 44 19.377 10.928 -17.576 1.00 72.14 H new ATOM 0 HE1 TRP A 44 20.880 8.922 -18.216 1.00 73.41 H new ATOM 0 HE3 TRP A 44 20.711 9.459 -12.866 1.00 44.50 H new ATOM 0 HZ2 TRP A 44 22.412 6.996 -16.854 1.00 25.30 H new ATOM 0 HZ3 TRP A 44 22.205 7.519 -12.613 1.00 23.21 H new ATOM 0 HH2 TRP A 44 23.048 6.306 -14.582 1.00 75.03 H new ATOM 697 N ARG A 45 15.638 11.465 -14.541 1.00 42.10 N ATOM 698 CA ARG A 45 14.518 11.602 -13.618 1.00 53.24 C ATOM 699 C ARG A 45 14.754 10.786 -12.351 1.00 71.52 C ATOM 700 O ARG A 45 14.863 9.560 -12.401 1.00 13.32 O ATOM 701 CB ARG A 45 13.218 11.156 -14.291 1.00 22.23 C ATOM 702 CG ARG A 45 12.256 12.297 -14.574 1.00 53.51 C ATOM 703 CD ARG A 45 11.291 12.513 -13.418 1.00 43.03 C ATOM 704 NE ARG A 45 9.932 12.776 -13.882 1.00 14.23 N ATOM 705 CZ ARG A 45 9.145 11.849 -14.417 1.00 44.24 C ATOM 706 NH1 ARG A 45 9.582 10.605 -14.556 1.00 75.20 N ATOM 707 NH2 ARG A 45 7.920 12.166 -14.815 1.00 52.03 N ATOM 0 H ARG A 45 15.477 10.810 -15.306 1.00 42.10 H new ATOM 0 HA ARG A 45 14.434 12.653 -13.341 1.00 53.24 H new ATOM 0 HB2 ARG A 45 13.458 10.653 -15.228 1.00 22.23 H new ATOM 0 HB3 ARG A 45 12.722 10.423 -13.654 1.00 22.23 H new ATOM 0 HG2 ARG A 45 12.819 13.213 -14.755 1.00 53.51 H new ATOM 0 HG3 ARG A 45 11.694 12.083 -15.483 1.00 53.51 H new ATOM 0 HD2 ARG A 45 11.291 11.632 -12.776 1.00 43.03 H new ATOM 0 HD3 ARG A 45 11.635 13.350 -12.810 1.00 43.03 H new ATOM 0 HE ARG A 45 9.567 13.724 -13.790 1.00 14.23 H new ATOM 0 HH11 ARG A 45 10.524 10.358 -14.252 1.00 75.20 H new ATOM 0 HH12 ARG A 45 8.976 9.895 -14.967 1.00 75.20 H new ATOM 0 HH21 ARG A 45 7.581 13.122 -14.710 1.00 52.03 H new ATOM 0 HH22 ARG A 45 7.317 11.453 -15.226 1.00 52.03 H new ATOM 721 N VAL A 46 14.833 11.473 -11.216 1.00 52.13 N ATOM 722 CA VAL A 46 15.056 10.812 -9.936 1.00 14.21 C ATOM 723 C VAL A 46 14.119 11.360 -8.865 1.00 24.14 C ATOM 724 O VAL A 46 13.515 12.418 -9.037 1.00 44.11 O ATOM 725 CB VAL A 46 16.512 10.980 -9.464 1.00 21.43 C ATOM 726 CG1 VAL A 46 17.479 10.478 -10.526 1.00 32.05 C ATOM 727 CG2 VAL A 46 16.796 12.433 -9.117 1.00 15.40 C ATOM 0 H VAL A 46 14.746 12.488 -11.157 1.00 52.13 H new ATOM 0 HA VAL A 46 14.851 9.752 -10.086 1.00 14.21 H new ATOM 0 HB VAL A 46 16.655 10.381 -8.564 1.00 21.43 H new ATOM 0 HG11 VAL A 46 18.503 10.605 -10.175 1.00 32.05 H new ATOM 0 HG12 VAL A 46 17.290 9.422 -10.720 1.00 32.05 H new ATOM 0 HG13 VAL A 46 17.338 11.047 -11.445 1.00 32.05 H new ATOM 0 HG21 VAL A 46 17.830 12.533 -8.785 1.00 15.40 H new ATOM 0 HG22 VAL A 46 16.636 13.055 -9.997 1.00 15.40 H new ATOM 0 HG23 VAL A 46 16.126 12.754 -8.319 1.00 15.40 H new ATOM 737 N GLN A 47 14.005 10.632 -7.758 1.00 51.23 N ATOM 738 CA GLN A 47 13.142 11.046 -6.658 1.00 75.34 C ATOM 739 C GLN A 47 13.932 11.159 -5.359 1.00 32.20 C ATOM 740 O GLN A 47 14.851 10.379 -5.110 1.00 65.04 O ATOM 741 CB GLN A 47 11.991 10.053 -6.485 1.00 13.14 C ATOM 742 CG GLN A 47 11.160 10.297 -5.235 1.00 2.30 C ATOM 743 CD GLN A 47 9.801 9.628 -5.298 1.00 2.55 C ATOM 744 OE1 GLN A 47 9.698 8.430 -5.561 1.00 53.24 O ATOM 745 NE2 GLN A 47 8.749 10.401 -5.054 1.00 40.23 N ATOM 0 H GLN A 47 14.499 9.754 -7.600 1.00 51.23 H new ATOM 0 HA GLN A 47 12.733 12.027 -6.899 1.00 75.34 H new ATOM 0 HB2 GLN A 47 11.342 10.106 -7.359 1.00 13.14 H new ATOM 0 HB3 GLN A 47 12.397 9.042 -6.450 1.00 13.14 H new ATOM 0 HG2 GLN A 47 11.703 9.928 -4.365 1.00 2.30 H new ATOM 0 HG3 GLN A 47 11.027 11.370 -5.096 1.00 2.30 H new ATOM 0 HE21 GLN A 47 8.881 11.390 -4.840 1.00 40.23 H new ATOM 0 HE22 GLN A 47 7.809 10.006 -5.080 1.00 40.23 H new ATOM 754 N ASP A 48 13.568 12.134 -4.534 1.00 53.30 N ATOM 755 CA ASP A 48 14.242 12.349 -3.259 1.00 43.21 C ATOM 756 C ASP A 48 13.732 11.374 -2.203 1.00 70.21 C ATOM 757 O ASP A 48 12.911 10.504 -2.493 1.00 32.41 O ATOM 758 CB ASP A 48 14.035 13.788 -2.785 1.00 3.45 C ATOM 759 CG ASP A 48 14.708 14.800 -3.692 1.00 31.41 C ATOM 760 OD1 ASP A 48 15.017 14.446 -4.849 1.00 61.41 O ATOM 761 OD2 ASP A 48 14.924 15.945 -3.245 1.00 43.32 O ATOM 0 H ASP A 48 12.809 12.789 -4.725 1.00 53.30 H new ATOM 0 HA ASP A 48 15.308 12.173 -3.405 1.00 43.21 H new ATOM 0 HB2 ASP A 48 12.967 14.001 -2.737 1.00 3.45 H new ATOM 0 HB3 ASP A 48 14.427 13.894 -1.773 1.00 3.45 H new ATOM 766 N ARG A 49 14.225 11.525 -0.978 1.00 72.21 N ATOM 767 CA ARG A 49 13.820 10.656 0.121 1.00 64.14 C ATOM 768 C ARG A 49 12.659 11.267 0.898 1.00 15.51 C ATOM 769 O ARG A 49 12.345 10.836 2.006 1.00 21.45 O ATOM 770 CB ARG A 49 15.001 10.404 1.061 1.00 74.13 C ATOM 771 CG ARG A 49 15.504 11.658 1.756 1.00 14.24 C ATOM 772 CD ARG A 49 16.251 11.323 3.038 1.00 70.14 C ATOM 773 NE ARG A 49 17.661 11.036 2.790 1.00 62.35 N ATOM 774 CZ ARG A 49 18.491 10.570 3.717 1.00 54.22 C ATOM 775 NH1 ARG A 49 18.053 10.340 4.947 1.00 60.10 N ATOM 776 NH2 ARG A 49 19.761 10.333 3.414 1.00 13.41 N ATOM 0 H ARG A 49 14.905 12.241 -0.721 1.00 72.21 H new ATOM 0 HA ARG A 49 13.491 9.707 -0.302 1.00 64.14 H new ATOM 0 HB2 ARG A 49 14.705 9.675 1.815 1.00 74.13 H new ATOM 0 HB3 ARG A 49 15.819 9.961 0.493 1.00 74.13 H new ATOM 0 HG2 ARG A 49 16.162 12.209 1.084 1.00 14.24 H new ATOM 0 HG3 ARG A 49 14.662 12.311 1.984 1.00 14.24 H new ATOM 0 HD2 ARG A 49 16.168 12.157 3.735 1.00 70.14 H new ATOM 0 HD3 ARG A 49 15.784 10.461 3.515 1.00 70.14 H new ATOM 0 HE ARG A 49 18.029 11.202 1.853 1.00 62.35 H new ATOM 0 HH11 ARG A 49 17.077 10.521 5.183 1.00 60.10 H new ATOM 0 HH12 ARG A 49 18.692 9.982 5.657 1.00 60.10 H new ATOM 0 HH21 ARG A 49 20.101 10.509 2.469 1.00 13.41 H new ATOM 0 HH22 ARG A 49 20.397 9.975 4.127 1.00 13.41 H new ATOM 790 N ASN A 50 12.024 12.276 0.308 1.00 23.35 N ATOM 791 CA ASN A 50 10.898 12.948 0.946 1.00 32.52 C ATOM 792 C ASN A 50 9.627 12.782 0.119 1.00 15.02 C ATOM 793 O ASN A 50 8.518 12.831 0.650 1.00 74.05 O ATOM 794 CB ASN A 50 11.205 14.434 1.137 1.00 5.12 C ATOM 795 CG ASN A 50 12.571 14.667 1.755 1.00 52.34 C ATOM 796 OD1 ASN A 50 12.694 14.845 2.967 1.00 62.34 O ATOM 797 ND2 ASN A 50 13.605 14.668 0.921 1.00 14.31 N ATOM 0 H ASN A 50 12.270 12.645 -0.610 1.00 23.35 H new ATOM 0 HA ASN A 50 10.739 12.489 1.922 1.00 32.52 H new ATOM 0 HB2 ASN A 50 11.154 14.940 0.173 1.00 5.12 H new ATOM 0 HB3 ASN A 50 10.441 14.882 1.772 1.00 5.12 H new ATOM 0 HD21 ASN A 50 14.548 14.821 1.278 1.00 14.31 H new ATOM 0 HD22 ASN A 50 13.456 14.516 -0.077 1.00 14.31 H new ATOM 804 N GLY A 51 9.797 12.585 -1.185 1.00 14.12 N ATOM 805 CA GLY A 51 8.655 12.415 -2.064 1.00 71.24 C ATOM 806 C GLY A 51 8.627 13.438 -3.183 1.00 30.42 C ATOM 807 O GLY A 51 7.557 13.824 -3.654 1.00 12.32 O ATOM 0 H GLY A 51 10.705 12.540 -1.648 1.00 14.12 H new ATOM 0 HA2 GLY A 51 8.676 11.413 -2.492 1.00 71.24 H new ATOM 0 HA3 GLY A 51 7.737 12.493 -1.481 1.00 71.24 H new ATOM 811 N HIS A 52 9.806 13.879 -3.609 1.00 23.03 N ATOM 812 CA HIS A 52 9.913 14.865 -4.678 1.00 73.35 C ATOM 813 C HIS A 52 10.666 14.289 -5.874 1.00 55.54 C ATOM 814 O HIS A 52 11.816 13.871 -5.752 1.00 31.54 O ATOM 815 CB HIS A 52 10.620 16.123 -4.173 1.00 73.31 C ATOM 816 CG HIS A 52 10.005 16.699 -2.935 1.00 30.43 C ATOM 817 ND1 HIS A 52 10.608 16.637 -1.696 1.00 44.24 N ATOM 818 CD2 HIS A 52 8.834 17.352 -2.749 1.00 71.40 C ATOM 819 CE1 HIS A 52 9.834 17.226 -0.802 1.00 63.12 C ATOM 820 NE2 HIS A 52 8.751 17.668 -1.415 1.00 43.44 N ATOM 0 H HIS A 52 10.701 13.569 -3.230 1.00 23.03 H new ATOM 0 HA HIS A 52 8.905 15.129 -4.998 1.00 73.35 H new ATOM 0 HB2 HIS A 52 11.665 15.887 -3.974 1.00 73.31 H new ATOM 0 HB3 HIS A 52 10.608 16.877 -4.960 1.00 73.31 H new ATOM 0 HD1 HIS A 52 11.511 16.204 -1.501 1.00 44.24 H new ATOM 0 HD2 HIS A 52 8.101 17.582 -3.508 1.00 71.40 H new ATOM 0 HE1 HIS A 52 10.050 17.329 0.251 1.00 63.12 H new ATOM 828 N GLU A 53 10.008 14.272 -7.029 1.00 55.44 N ATOM 829 CA GLU A 53 10.615 13.747 -8.246 1.00 62.32 C ATOM 830 C GLU A 53 10.896 14.868 -9.242 1.00 42.23 C ATOM 831 O GLU A 53 10.068 15.755 -9.445 1.00 40.11 O ATOM 832 CB GLU A 53 9.703 12.698 -8.886 1.00 63.12 C ATOM 833 CG GLU A 53 9.109 11.718 -7.889 1.00 14.34 C ATOM 834 CD GLU A 53 8.626 10.439 -8.544 1.00 60.10 C ATOM 835 OE1 GLU A 53 8.131 10.508 -9.688 1.00 70.13 O ATOM 836 OE2 GLU A 53 8.744 9.368 -7.912 1.00 0.21 O ATOM 0 H GLU A 53 9.055 14.616 -7.147 1.00 55.44 H new ATOM 0 HA GLU A 53 11.562 13.279 -7.976 1.00 62.32 H new ATOM 0 HB2 GLU A 53 8.893 13.205 -9.411 1.00 63.12 H new ATOM 0 HB3 GLU A 53 10.270 12.144 -9.634 1.00 63.12 H new ATOM 0 HG2 GLU A 53 9.857 11.475 -7.134 1.00 14.34 H new ATOM 0 HG3 GLU A 53 8.276 12.193 -7.371 1.00 14.34 H new ATOM 843 N GLY A 54 12.072 14.821 -9.861 1.00 41.33 N ATOM 844 CA GLY A 54 12.443 15.838 -10.828 1.00 14.31 C ATOM 845 C GLY A 54 13.558 15.384 -11.749 1.00 14.22 C ATOM 846 O GLY A 54 13.936 14.213 -11.746 1.00 24.44 O ATOM 0 H GLY A 54 12.774 14.097 -9.710 1.00 41.33 H new ATOM 0 HA2 GLY A 54 11.570 16.104 -11.424 1.00 14.31 H new ATOM 0 HA3 GLY A 54 12.756 16.739 -10.301 1.00 14.31 H new ATOM 850 N TYR A 55 14.084 16.312 -12.540 1.00 53.14 N ATOM 851 CA TYR A 55 15.159 16.000 -13.474 1.00 63.10 C ATOM 852 C TYR A 55 16.503 16.483 -12.938 1.00 4.01 C ATOM 853 O TYR A 55 16.591 17.535 -12.305 1.00 52.40 O ATOM 854 CB TYR A 55 14.882 16.638 -14.836 1.00 52.12 C ATOM 855 CG TYR A 55 13.646 16.096 -15.519 1.00 25.43 C ATOM 856 CD1 TYR A 55 12.377 16.495 -15.120 1.00 13.11 C ATOM 857 CD2 TYR A 55 13.749 15.183 -16.561 1.00 53.13 C ATOM 858 CE1 TYR A 55 11.245 16.002 -15.740 1.00 21.30 C ATOM 859 CE2 TYR A 55 12.623 14.686 -17.188 1.00 73.41 C ATOM 860 CZ TYR A 55 11.373 15.098 -16.774 1.00 23.32 C ATOM 861 OH TYR A 55 10.249 14.603 -17.395 1.00 1.33 O ATOM 0 H TYR A 55 13.783 17.287 -12.553 1.00 53.14 H new ATOM 0 HA TYR A 55 15.202 14.917 -13.590 1.00 63.10 H new ATOM 0 HB2 TYR A 55 14.773 17.715 -14.708 1.00 52.12 H new ATOM 0 HB3 TYR A 55 15.744 16.480 -15.484 1.00 52.12 H new ATOM 0 HD1 TYR A 55 12.273 17.203 -14.311 1.00 13.11 H new ATOM 0 HD2 TYR A 55 14.726 14.856 -16.886 1.00 53.13 H new ATOM 0 HE1 TYR A 55 10.266 16.323 -15.417 1.00 21.30 H new ATOM 0 HE2 TYR A 55 12.721 13.979 -17.998 1.00 73.41 H new ATOM 0 HH TYR A 55 10.514 13.979 -18.102 1.00 1.33 H new ATOM 871 N VAL A 56 17.550 15.706 -13.197 1.00 23.34 N ATOM 872 CA VAL A 56 18.891 16.053 -12.743 1.00 4.44 C ATOM 873 C VAL A 56 19.954 15.460 -13.661 1.00 33.41 C ATOM 874 O VAL A 56 19.728 14.464 -14.350 1.00 4.43 O ATOM 875 CB VAL A 56 19.141 15.564 -11.303 1.00 41.55 C ATOM 876 CG1 VAL A 56 18.451 16.478 -10.302 1.00 21.22 C ATOM 877 CG2 VAL A 56 18.669 14.127 -11.140 1.00 45.51 C ATOM 0 H VAL A 56 17.495 14.832 -13.719 1.00 23.34 H new ATOM 0 HA VAL A 56 18.961 17.141 -12.767 1.00 4.44 H new ATOM 0 HB VAL A 56 20.213 15.595 -11.107 1.00 41.55 H new ATOM 0 HG11 VAL A 56 18.638 16.117 -9.291 1.00 21.22 H new ATOM 0 HG12 VAL A 56 18.842 17.490 -10.404 1.00 21.22 H new ATOM 0 HG13 VAL A 56 17.378 16.482 -10.493 1.00 21.22 H new ATOM 0 HG21 VAL A 56 18.853 13.797 -10.117 1.00 45.51 H new ATOM 0 HG22 VAL A 56 17.602 14.068 -11.354 1.00 45.51 H new ATOM 0 HG23 VAL A 56 19.214 13.484 -11.832 1.00 45.51 H new ATOM 887 N PRO A 57 21.141 16.083 -13.672 1.00 63.04 N ATOM 888 CA PRO A 57 22.264 15.633 -14.501 1.00 75.12 C ATOM 889 C PRO A 57 22.851 14.313 -14.014 1.00 71.33 C ATOM 890 O PRO A 57 23.097 14.134 -12.821 1.00 52.24 O ATOM 891 CB PRO A 57 23.288 16.761 -14.354 1.00 31.31 C ATOM 892 CG PRO A 57 22.970 17.392 -13.043 1.00 1.34 C ATOM 893 CD PRO A 57 21.480 17.275 -12.877 1.00 22.23 C ATOM 0 HA PRO A 57 21.961 15.446 -15.531 1.00 75.12 H new ATOM 0 HB2 PRO A 57 24.307 16.375 -14.371 1.00 31.31 H new ATOM 0 HB3 PRO A 57 23.206 17.479 -15.170 1.00 31.31 H new ATOM 0 HG2 PRO A 57 23.494 16.889 -12.230 1.00 1.34 H new ATOM 0 HG3 PRO A 57 23.284 18.436 -13.026 1.00 1.34 H new ATOM 0 HD2 PRO A 57 21.201 17.153 -11.831 1.00 22.23 H new ATOM 0 HD3 PRO A 57 20.964 18.162 -13.243 1.00 22.23 H new ATOM 901 N SER A 58 23.074 13.390 -14.945 1.00 41.41 N ATOM 902 CA SER A 58 23.630 12.085 -14.610 1.00 31.33 C ATOM 903 C SER A 58 25.126 12.187 -14.329 1.00 61.01 C ATOM 904 O SER A 58 25.678 11.408 -13.552 1.00 71.33 O ATOM 905 CB SER A 58 23.380 11.093 -15.747 1.00 75.22 C ATOM 906 OG SER A 58 23.740 9.777 -15.365 1.00 22.20 O ATOM 0 H SER A 58 22.878 13.523 -15.937 1.00 41.41 H new ATOM 0 HA SER A 58 23.132 11.727 -13.709 1.00 31.33 H new ATOM 0 HB2 SER A 58 22.328 11.118 -16.030 1.00 75.22 H new ATOM 0 HB3 SER A 58 23.954 11.390 -16.625 1.00 75.22 H new ATOM 0 HG SER A 58 22.936 9.281 -15.104 1.00 22.20 H new ATOM 912 N SER A 59 25.777 13.154 -14.968 1.00 13.34 N ATOM 913 CA SER A 59 27.210 13.357 -14.791 1.00 11.53 C ATOM 914 C SER A 59 27.549 13.583 -13.321 1.00 1.45 C ATOM 915 O SER A 59 28.684 13.369 -12.894 1.00 32.35 O ATOM 916 CB SER A 59 27.684 14.549 -15.624 1.00 41.43 C ATOM 917 OG SER A 59 28.724 14.171 -16.510 1.00 74.00 O ATOM 0 H SER A 59 25.335 13.809 -15.613 1.00 13.34 H new ATOM 0 HA SER A 59 27.724 12.458 -15.131 1.00 11.53 H new ATOM 0 HB2 SER A 59 26.847 14.955 -16.193 1.00 41.43 H new ATOM 0 HB3 SER A 59 28.035 15.342 -14.963 1.00 41.43 H new ATOM 0 HG SER A 59 28.899 14.901 -17.140 1.00 74.00 H new ATOM 923 N TYR A 60 26.557 14.018 -12.551 1.00 43.23 N ATOM 924 CA TYR A 60 26.750 14.276 -11.129 1.00 53.22 C ATOM 925 C TYR A 60 26.027 13.232 -10.283 1.00 51.35 C ATOM 926 O TYR A 60 25.747 13.456 -9.105 1.00 53.10 O ATOM 927 CB TYR A 60 26.247 15.676 -10.771 1.00 24.11 C ATOM 928 CG TYR A 60 26.933 16.781 -11.542 1.00 2.11 C ATOM 929 CD1 TYR A 60 26.702 16.954 -12.901 1.00 11.22 C ATOM 930 CD2 TYR A 60 27.812 17.653 -10.911 1.00 11.14 C ATOM 931 CE1 TYR A 60 27.327 17.962 -13.609 1.00 50.11 C ATOM 932 CE2 TYR A 60 28.440 18.665 -11.611 1.00 23.23 C ATOM 933 CZ TYR A 60 28.195 18.815 -12.960 1.00 20.14 C ATOM 934 OH TYR A 60 28.819 19.821 -13.661 1.00 55.14 O ATOM 0 H TYR A 60 25.611 14.199 -12.888 1.00 43.23 H new ATOM 0 HA TYR A 60 27.817 14.215 -10.916 1.00 53.22 H new ATOM 0 HB2 TYR A 60 25.174 15.726 -10.957 1.00 24.11 H new ATOM 0 HB3 TYR A 60 26.393 15.844 -9.704 1.00 24.11 H new ATOM 0 HD1 TYR A 60 26.022 16.289 -13.413 1.00 11.22 H new ATOM 0 HD2 TYR A 60 28.008 17.538 -9.855 1.00 11.14 H new ATOM 0 HE1 TYR A 60 27.137 18.082 -14.665 1.00 50.11 H new ATOM 0 HE2 TYR A 60 29.119 19.335 -11.105 1.00 23.23 H new ATOM 0 HH TYR A 60 29.396 20.332 -13.056 1.00 55.14 H new ATOM 944 N LEU A 61 25.728 12.091 -10.893 1.00 61.51 N ATOM 945 CA LEU A 61 25.038 11.010 -10.198 1.00 22.54 C ATOM 946 C LEU A 61 25.681 9.662 -10.512 1.00 10.41 C ATOM 947 O LEU A 61 25.959 9.350 -11.670 1.00 13.12 O ATOM 948 CB LEU A 61 23.560 10.986 -10.590 1.00 32.13 C ATOM 949 CG LEU A 61 22.660 11.997 -9.878 1.00 24.04 C ATOM 950 CD1 LEU A 61 21.345 12.160 -10.624 1.00 5.10 C ATOM 951 CD2 LEU A 61 22.410 11.568 -8.439 1.00 72.34 C ATOM 0 H LEU A 61 25.952 11.890 -11.868 1.00 61.51 H new ATOM 0 HA LEU A 61 25.120 11.190 -9.126 1.00 22.54 H new ATOM 0 HB2 LEU A 61 23.487 11.158 -11.664 1.00 32.13 H new ATOM 0 HB3 LEU A 61 23.171 9.986 -10.400 1.00 32.13 H new ATOM 0 HG LEU A 61 23.168 12.961 -9.866 1.00 24.04 H new ATOM 0 HD11 LEU A 61 20.718 12.883 -10.102 1.00 5.10 H new ATOM 0 HD12 LEU A 61 21.542 12.514 -11.636 1.00 5.10 H new ATOM 0 HD13 LEU A 61 20.831 11.200 -10.669 1.00 5.10 H new ATOM 0 HD21 LEU A 61 21.768 12.299 -7.948 1.00 72.34 H new ATOM 0 HD22 LEU A 61 21.923 10.593 -8.429 1.00 72.34 H new ATOM 0 HD23 LEU A 61 23.360 11.505 -7.908 1.00 72.34 H new ATOM 963 N VAL A 62 25.913 8.866 -9.473 1.00 10.42 N ATOM 964 CA VAL A 62 26.520 7.551 -9.638 1.00 33.11 C ATOM 965 C VAL A 62 25.566 6.446 -9.197 1.00 54.55 C ATOM 966 O VAL A 62 25.061 6.460 -8.075 1.00 52.54 O ATOM 967 CB VAL A 62 27.830 7.432 -8.837 1.00 13.55 C ATOM 968 CG1 VAL A 62 28.341 6.000 -8.857 1.00 51.04 C ATOM 969 CG2 VAL A 62 28.878 8.389 -9.385 1.00 14.32 C ATOM 0 H VAL A 62 25.690 9.109 -8.508 1.00 10.42 H new ATOM 0 HA VAL A 62 26.740 7.436 -10.699 1.00 33.11 H new ATOM 0 HB VAL A 62 27.628 7.705 -7.801 1.00 13.55 H new ATOM 0 HG11 VAL A 62 29.267 5.936 -8.286 1.00 51.04 H new ATOM 0 HG12 VAL A 62 27.595 5.341 -8.413 1.00 51.04 H new ATOM 0 HG13 VAL A 62 28.528 5.695 -9.887 1.00 51.04 H new ATOM 0 HG21 VAL A 62 29.797 8.292 -8.807 1.00 14.32 H new ATOM 0 HG22 VAL A 62 29.079 8.150 -10.429 1.00 14.32 H new ATOM 0 HG23 VAL A 62 28.510 9.412 -9.312 1.00 14.32 H new ATOM 979 N GLU A 63 25.324 5.490 -10.089 1.00 12.40 N ATOM 980 CA GLU A 63 24.429 4.378 -9.791 1.00 64.14 C ATOM 981 C GLU A 63 24.894 3.623 -8.549 1.00 45.13 C ATOM 982 O GLU A 63 25.978 3.039 -8.533 1.00 61.30 O ATOM 983 CB GLU A 63 24.354 3.422 -10.984 1.00 12.11 C ATOM 984 CG GLU A 63 22.949 3.247 -11.535 1.00 72.51 C ATOM 985 CD GLU A 63 22.767 1.926 -12.259 1.00 12.44 C ATOM 986 OE1 GLU A 63 22.845 0.871 -11.595 1.00 3.20 O ATOM 987 OE2 GLU A 63 22.546 1.948 -13.487 1.00 41.14 O ATOM 0 H GLU A 63 25.735 5.463 -11.022 1.00 12.40 H new ATOM 0 HA GLU A 63 23.437 4.785 -9.597 1.00 64.14 H new ATOM 0 HB2 GLU A 63 25.003 3.793 -11.777 1.00 12.11 H new ATOM 0 HB3 GLU A 63 24.742 2.448 -10.684 1.00 12.11 H new ATOM 0 HG2 GLU A 63 22.231 3.311 -10.717 1.00 72.51 H new ATOM 0 HG3 GLU A 63 22.726 4.066 -12.219 1.00 72.51 H new ATOM 994 N LYS A 64 24.067 3.640 -7.510 1.00 5.55 N ATOM 995 CA LYS A 64 24.391 2.958 -6.262 1.00 43.13 C ATOM 996 C LYS A 64 24.312 1.445 -6.434 1.00 33.54 C ATOM 997 O LYS A 64 23.227 0.864 -6.409 1.00 73.20 O ATOM 998 CB LYS A 64 23.441 3.407 -5.150 1.00 31.21 C ATOM 999 CG LYS A 64 23.713 2.741 -3.812 1.00 71.11 C ATOM 1000 CD LYS A 64 23.399 3.671 -2.652 1.00 41.03 C ATOM 1001 CE LYS A 64 23.450 2.938 -1.321 1.00 30.05 C ATOM 1002 NZ LYS A 64 23.297 3.869 -0.169 1.00 4.34 N ATOM 0 H LYS A 64 23.166 4.119 -7.507 1.00 5.55 H new ATOM 0 HA LYS A 64 25.412 3.222 -5.986 1.00 43.13 H new ATOM 0 HB2 LYS A 64 23.519 4.488 -5.031 1.00 31.21 H new ATOM 0 HB3 LYS A 64 22.416 3.193 -5.451 1.00 31.21 H new ATOM 0 HG2 LYS A 64 23.112 1.836 -3.726 1.00 71.11 H new ATOM 0 HG3 LYS A 64 24.758 2.436 -3.762 1.00 71.11 H new ATOM 0 HD2 LYS A 64 24.112 4.496 -2.642 1.00 41.03 H new ATOM 0 HD3 LYS A 64 22.410 4.107 -2.791 1.00 41.03 H new ATOM 0 HE2 LYS A 64 22.660 2.188 -1.289 1.00 30.05 H new ATOM 0 HE3 LYS A 64 24.398 2.407 -1.235 1.00 30.05 H new ATOM 0 HZ1 LYS A 64 23.184 3.321 0.708 1.00 4.34 H new ATOM 0 HZ2 LYS A 64 24.142 4.471 -0.095 1.00 4.34 H new ATOM 0 HZ3 LYS A 64 22.458 4.466 -0.314 1.00 4.34 H new