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 23:sc= 0.113 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.225 USER MOD Single : A 20 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.073) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 30 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.2) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -54:sc= -0.0647! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0145 K(o=-0.015,f=-0.57) USER MOD Single : A 47 GLN : amide:sc= -0.2 K(o=-0.2,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-0.95) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 100:sc= 3.03 USER MOD Single : A 59 SER OG : rot 180:sc= -0.84 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 16.452 1.381 -10.435 1.00 0.34 N ATOM 104 CA THR A 9 17.836 1.736 -10.148 1.00 43.14 C ATOM 105 C THR A 9 17.918 3.031 -9.348 1.00 32.43 C ATOM 106 O THR A 9 17.070 3.913 -9.487 1.00 23.25 O ATOM 107 CB THR A 9 18.655 1.895 -11.444 1.00 30.54 C ATOM 108 OG1 THR A 9 18.527 0.719 -12.251 1.00 24.43 O ATOM 109 CG2 THR A 9 20.122 2.143 -11.129 1.00 44.21 C ATOM 0 HA THR A 9 18.255 0.921 -9.558 1.00 43.14 H new ATOM 0 HB THR A 9 18.267 2.754 -11.991 1.00 30.54 H new ATOM 0 HG1 THR A 9 17.701 0.247 -12.013 1.00 24.43 H new ATOM 0 HG21 THR A 9 20.680 2.252 -12.059 1.00 44.21 H new ATOM 0 HG22 THR A 9 20.218 3.054 -10.539 1.00 44.21 H new ATOM 0 HG23 THR A 9 20.520 1.301 -10.563 1.00 44.21 H new ATOM 117 N VAL A 10 18.944 3.139 -8.509 1.00 74.12 N ATOM 118 CA VAL A 10 19.137 4.327 -7.687 1.00 12.40 C ATOM 119 C VAL A 10 20.436 5.039 -8.047 1.00 1.15 C ATOM 120 O VAL A 10 21.372 4.425 -8.560 1.00 15.00 O ATOM 121 CB VAL A 10 19.155 3.976 -6.188 1.00 32.35 C ATOM 122 CG1 VAL A 10 19.046 5.235 -5.342 1.00 55.41 C ATOM 123 CG2 VAL A 10 18.034 3.002 -5.856 1.00 2.04 C ATOM 0 H VAL A 10 19.654 2.418 -8.381 1.00 74.12 H new ATOM 0 HA VAL A 10 18.295 4.990 -7.887 1.00 12.40 H new ATOM 0 HB VAL A 10 20.105 3.494 -5.957 1.00 32.35 H new ATOM 0 HG11 VAL A 10 19.060 4.966 -4.286 1.00 55.41 H new ATOM 0 HG12 VAL A 10 19.886 5.894 -5.560 1.00 55.41 H new ATOM 0 HG13 VAL A 10 18.113 5.749 -5.573 1.00 55.41 H new ATOM 0 HG21 VAL A 10 18.061 2.765 -4.793 1.00 2.04 H new ATOM 0 HG22 VAL A 10 17.074 3.455 -6.102 1.00 2.04 H new ATOM 0 HG23 VAL A 10 18.163 2.088 -6.435 1.00 2.04 H new ATOM 133 N VAL A 11 20.488 6.339 -7.773 1.00 31.11 N ATOM 134 CA VAL A 11 21.674 7.135 -8.066 1.00 14.21 C ATOM 135 C VAL A 11 22.109 7.941 -6.847 1.00 41.34 C ATOM 136 O VAL A 11 21.276 8.423 -6.079 1.00 51.13 O ATOM 137 CB VAL A 11 21.427 8.098 -9.243 1.00 34.41 C ATOM 138 CG1 VAL A 11 21.145 7.319 -10.519 1.00 41.41 C ATOM 139 CG2 VAL A 11 20.281 9.046 -8.923 1.00 41.24 C ATOM 0 H VAL A 11 19.723 6.863 -7.349 1.00 31.11 H new ATOM 0 HA VAL A 11 22.465 6.436 -8.338 1.00 14.21 H new ATOM 0 HB VAL A 11 22.327 8.692 -9.400 1.00 34.41 H new ATOM 0 HG11 VAL A 11 20.973 8.015 -11.340 1.00 41.41 H new ATOM 0 HG12 VAL A 11 22.000 6.685 -10.754 1.00 41.41 H new ATOM 0 HG13 VAL A 11 20.260 6.698 -10.378 1.00 41.41 H new ATOM 0 HG21 VAL A 11 20.120 9.719 -9.765 1.00 41.24 H new ATOM 0 HG22 VAL A 11 19.373 8.471 -8.740 1.00 41.24 H new ATOM 0 HG23 VAL A 11 20.527 9.628 -8.035 1.00 41.24 H new ATOM 149 N ILE A 12 23.419 8.084 -6.677 1.00 10.31 N ATOM 150 CA ILE A 12 23.965 8.834 -5.552 1.00 61.33 C ATOM 151 C ILE A 12 24.491 10.193 -6.001 1.00 23.20 C ATOM 152 O ILE A 12 25.194 10.297 -7.006 1.00 21.32 O ATOM 153 CB ILE A 12 25.101 8.059 -4.858 1.00 44.44 C ATOM 154 CG1 ILE A 12 24.747 6.575 -4.754 1.00 71.45 C ATOM 155 CG2 ILE A 12 25.375 8.642 -3.480 1.00 15.11 C ATOM 156 CD1 ILE A 12 25.801 5.749 -4.051 1.00 4.52 C ATOM 0 H ILE A 12 24.122 7.691 -7.303 1.00 10.31 H new ATOM 0 HA ILE A 12 23.150 8.979 -4.843 1.00 61.33 H new ATOM 0 HB ILE A 12 26.006 8.155 -5.458 1.00 44.44 H new ATOM 0 HG12 ILE A 12 23.802 6.472 -4.221 1.00 71.45 H new ATOM 0 HG13 ILE A 12 24.593 6.176 -5.756 1.00 71.45 H new ATOM 0 HG21 ILE A 12 26.180 8.084 -3.002 1.00 15.11 H new ATOM 0 HG22 ILE A 12 25.667 9.687 -3.579 1.00 15.11 H new ATOM 0 HG23 ILE A 12 24.474 8.573 -2.870 1.00 15.11 H new ATOM 0 HD11 ILE A 12 25.482 4.707 -4.014 1.00 4.52 H new ATOM 0 HD12 ILE A 12 26.743 5.821 -4.595 1.00 4.52 H new ATOM 0 HD13 ILE A 12 25.939 6.122 -3.036 1.00 4.52 H new ATOM 168 N ALA A 13 24.147 11.232 -5.248 1.00 4.32 N ATOM 169 CA ALA A 13 24.588 12.585 -5.565 1.00 62.15 C ATOM 170 C ALA A 13 26.056 12.783 -5.203 1.00 41.22 C ATOM 171 O ALA A 13 26.470 12.512 -4.075 1.00 60.32 O ATOM 172 CB ALA A 13 23.722 13.606 -4.843 1.00 33.20 C ATOM 0 H ALA A 13 23.564 11.163 -4.414 1.00 4.32 H new ATOM 0 HA ALA A 13 24.483 12.732 -6.640 1.00 62.15 H new ATOM 0 HB1 ALA A 13 24.063 14.612 -5.089 1.00 33.20 H new ATOM 0 HB2 ALA A 13 22.684 13.488 -5.155 1.00 33.20 H new ATOM 0 HB3 ALA A 13 23.797 13.451 -3.767 1.00 33.20 H new ATOM 178 N LEU A 14 26.839 13.257 -6.166 1.00 3.22 N ATOM 179 CA LEU A 14 28.263 13.491 -5.948 1.00 53.52 C ATOM 180 C LEU A 14 28.512 14.915 -5.460 1.00 32.24 C ATOM 181 O LEU A 14 29.478 15.175 -4.742 1.00 41.53 O ATOM 182 CB LEU A 14 29.044 13.239 -7.239 1.00 23.03 C ATOM 183 CG LEU A 14 28.642 11.997 -8.035 1.00 53.32 C ATOM 184 CD1 LEU A 14 29.486 11.874 -9.294 1.00 20.30 C ATOM 185 CD2 LEU A 14 28.774 10.747 -7.177 1.00 52.43 C ATOM 0 H LEU A 14 26.513 13.487 -7.105 1.00 3.22 H new ATOM 0 HA LEU A 14 28.607 12.798 -5.180 1.00 53.52 H new ATOM 0 HB2 LEU A 14 28.932 14.111 -7.884 1.00 23.03 H new ATOM 0 HB3 LEU A 14 30.102 13.160 -6.990 1.00 23.03 H new ATOM 0 HG LEU A 14 27.598 12.101 -8.331 1.00 53.32 H new ATOM 0 HD11 LEU A 14 29.186 10.984 -9.848 1.00 20.30 H new ATOM 0 HD12 LEU A 14 29.340 12.756 -9.918 1.00 20.30 H new ATOM 0 HD13 LEU A 14 30.538 11.793 -9.020 1.00 20.30 H new ATOM 0 HD21 LEU A 14 28.484 9.873 -7.760 1.00 52.43 H new ATOM 0 HD22 LEU A 14 29.808 10.638 -6.850 1.00 52.43 H new ATOM 0 HD23 LEU A 14 28.125 10.834 -6.306 1.00 52.43 H new ATOM 197 N TYR A 15 27.633 15.831 -5.851 1.00 4.23 N ATOM 198 CA TYR A 15 27.758 17.228 -5.453 1.00 1.32 C ATOM 199 C TYR A 15 26.387 17.890 -5.352 1.00 3.34 C ATOM 200 O TYR A 15 25.446 17.503 -6.044 1.00 51.31 O ATOM 201 CB TYR A 15 28.632 17.989 -6.452 1.00 34.01 C ATOM 202 CG TYR A 15 29.976 17.342 -6.696 1.00 3.24 C ATOM 203 CD1 TYR A 15 30.135 16.375 -7.680 1.00 63.42 C ATOM 204 CD2 TYR A 15 31.087 17.698 -5.941 1.00 65.42 C ATOM 205 CE1 TYR A 15 31.362 15.780 -7.906 1.00 51.32 C ATOM 206 CE2 TYR A 15 32.318 17.110 -6.161 1.00 60.22 C ATOM 207 CZ TYR A 15 32.450 16.152 -7.144 1.00 62.45 C ATOM 208 OH TYR A 15 33.674 15.563 -7.366 1.00 30.43 O ATOM 0 H TYR A 15 26.827 15.631 -6.443 1.00 4.23 H new ATOM 0 HA TYR A 15 28.230 17.259 -4.471 1.00 1.32 H new ATOM 0 HB2 TYR A 15 28.100 18.070 -7.400 1.00 34.01 H new ATOM 0 HB3 TYR A 15 28.788 19.004 -6.086 1.00 34.01 H new ATOM 0 HD1 TYR A 15 29.285 16.083 -8.279 1.00 63.42 H new ATOM 0 HD2 TYR A 15 30.987 18.447 -5.169 1.00 65.42 H new ATOM 0 HE1 TYR A 15 31.468 15.029 -8.674 1.00 51.32 H new ATOM 0 HE2 TYR A 15 33.172 17.399 -5.566 1.00 60.22 H new ATOM 0 HH TYR A 15 34.334 15.937 -6.746 1.00 30.43 H new ATOM 218 N ASP A 16 26.284 18.891 -4.484 1.00 73.00 N ATOM 219 CA ASP A 16 25.029 19.610 -4.292 1.00 23.51 C ATOM 220 C ASP A 16 24.644 20.377 -5.553 1.00 1.24 C ATOM 221 O ASP A 16 25.085 21.508 -5.762 1.00 72.42 O ATOM 222 CB ASP A 16 25.144 20.572 -3.109 1.00 3.12 C ATOM 223 CG ASP A 16 25.625 19.883 -1.847 1.00 4.42 C ATOM 224 OD1 ASP A 16 26.856 19.771 -1.665 1.00 75.31 O ATOM 225 OD2 ASP A 16 24.772 19.456 -1.041 1.00 53.42 O ATOM 0 H ASP A 16 27.054 19.223 -3.903 1.00 73.00 H new ATOM 0 HA ASP A 16 24.248 18.879 -4.081 1.00 23.51 H new ATOM 0 HB2 ASP A 16 25.833 21.377 -3.365 1.00 3.12 H new ATOM 0 HB3 ASP A 16 24.173 21.031 -2.922 1.00 3.12 H new ATOM 230 N TYR A 17 23.821 19.755 -6.389 1.00 52.42 N ATOM 231 CA TYR A 17 23.379 20.378 -7.631 1.00 41.52 C ATOM 232 C TYR A 17 22.246 21.367 -7.372 1.00 62.10 C ATOM 233 O TYR A 17 21.450 21.186 -6.451 1.00 53.25 O ATOM 234 CB TYR A 17 22.922 19.311 -8.627 1.00 40.42 C ATOM 235 CG TYR A 17 22.311 19.881 -9.887 1.00 52.43 C ATOM 236 CD1 TYR A 17 23.095 20.542 -10.826 1.00 34.25 C ATOM 237 CD2 TYR A 17 20.950 19.761 -10.139 1.00 71.52 C ATOM 238 CE1 TYR A 17 22.541 21.065 -11.978 1.00 34.10 C ATOM 239 CE2 TYR A 17 20.388 20.279 -11.290 1.00 14.15 C ATOM 240 CZ TYR A 17 21.187 20.931 -12.206 1.00 31.54 C ATOM 241 OH TYR A 17 20.630 21.450 -13.352 1.00 63.30 O ATOM 0 H TYR A 17 23.446 18.820 -6.229 1.00 52.42 H new ATOM 0 HA TYR A 17 24.223 20.923 -8.054 1.00 41.52 H new ATOM 0 HB2 TYR A 17 23.775 18.688 -8.896 1.00 40.42 H new ATOM 0 HB3 TYR A 17 22.194 18.661 -8.142 1.00 40.42 H new ATOM 0 HD1 TYR A 17 24.155 20.648 -10.652 1.00 34.25 H new ATOM 0 HD2 TYR A 17 20.320 19.254 -9.423 1.00 71.52 H new ATOM 0 HE1 TYR A 17 23.164 21.576 -12.697 1.00 34.10 H new ATOM 0 HE2 TYR A 17 19.329 20.174 -11.472 1.00 14.15 H new ATOM 0 HH TYR A 17 19.667 21.269 -13.359 1.00 63.30 H new ATOM 251 N GLN A 18 22.182 22.411 -8.192 1.00 12.24 N ATOM 252 CA GLN A 18 21.147 23.429 -8.052 1.00 31.23 C ATOM 253 C GLN A 18 20.582 23.821 -9.413 1.00 11.42 C ATOM 254 O GLN A 18 21.329 24.118 -10.346 1.00 22.04 O ATOM 255 CB GLN A 18 21.708 24.663 -7.344 1.00 2.21 C ATOM 256 CG GLN A 18 21.650 24.574 -5.827 1.00 41.14 C ATOM 257 CD GLN A 18 21.893 25.911 -5.155 1.00 21.45 C ATOM 258 OE1 GLN A 18 20.953 26.595 -4.750 1.00 51.11 O ATOM 259 NE2 GLN A 18 23.160 26.290 -5.031 1.00 33.34 N ATOM 0 H GLN A 18 22.834 22.574 -8.959 1.00 12.24 H new ATOM 0 HA GLN A 18 20.340 23.010 -7.451 1.00 31.23 H new ATOM 0 HB2 GLN A 18 22.743 24.809 -7.652 1.00 2.21 H new ATOM 0 HB3 GLN A 18 21.152 25.542 -7.669 1.00 2.21 H new ATOM 0 HG2 GLN A 18 20.674 24.192 -5.526 1.00 41.14 H new ATOM 0 HG3 GLN A 18 22.394 23.857 -5.480 1.00 41.14 H new ATOM 0 HE21 GLN A 18 23.908 25.691 -5.381 1.00 33.34 H new ATOM 0 HE22 GLN A 18 23.385 27.180 -4.586 1.00 33.34 H new ATOM 268 N THR A 19 19.257 23.821 -9.521 1.00 12.15 N ATOM 269 CA THR A 19 18.591 24.176 -10.768 1.00 23.43 C ATOM 270 C THR A 19 18.132 25.629 -10.752 1.00 44.12 C ATOM 271 O THR A 19 18.014 26.241 -9.692 1.00 35.14 O ATOM 272 CB THR A 19 17.375 23.268 -11.033 1.00 64.04 C ATOM 273 OG1 THR A 19 16.669 23.722 -12.193 1.00 43.14 O ATOM 274 CG2 THR A 19 16.438 23.255 -9.836 1.00 12.15 C ATOM 0 H THR A 19 18.624 23.579 -8.759 1.00 12.15 H new ATOM 0 HA THR A 19 19.320 24.037 -11.566 1.00 23.43 H new ATOM 0 HB THR A 19 17.737 22.254 -11.202 1.00 64.04 H new ATOM 0 HG1 THR A 19 15.743 23.931 -11.951 1.00 43.14 H new ATOM 0 HG21 THR A 19 15.587 22.607 -10.047 1.00 12.15 H new ATOM 0 HG22 THR A 19 16.970 22.881 -8.961 1.00 12.15 H new ATOM 0 HG23 THR A 19 16.084 24.267 -9.640 1.00 12.15 H new ATOM 282 N ASN A 20 17.875 26.176 -11.936 1.00 1.32 N ATOM 283 CA ASN A 20 17.429 27.559 -12.058 1.00 15.33 C ATOM 284 C ASN A 20 15.910 27.631 -12.192 1.00 24.03 C ATOM 285 O ASN A 20 15.294 28.640 -11.849 1.00 33.33 O ATOM 286 CB ASN A 20 18.090 28.226 -13.265 1.00 44.32 C ATOM 287 CG ASN A 20 17.407 29.522 -13.656 1.00 42.53 C ATOM 288 OD1 ASN A 20 17.298 30.447 -12.851 1.00 3.21 O ATOM 289 ND2 ASN A 20 16.943 29.595 -14.898 1.00 72.03 N ATOM 0 H ASN A 20 17.968 25.683 -12.824 1.00 1.32 H new ATOM 0 HA ASN A 20 17.722 28.090 -11.152 1.00 15.33 H new ATOM 0 HB2 ASN A 20 19.137 28.425 -13.038 1.00 44.32 H new ATOM 0 HB3 ASN A 20 18.072 27.539 -14.111 1.00 44.32 H new ATOM 0 HD21 ASN A 20 16.474 30.442 -15.218 1.00 72.03 H new ATOM 0 HD22 ASN A 20 17.055 28.804 -15.532 1.00 72.03 H new ATOM 296 N ASP A 21 15.315 26.554 -12.692 1.00 51.10 N ATOM 297 CA ASP A 21 13.869 26.493 -12.870 1.00 53.40 C ATOM 298 C ASP A 21 13.278 25.304 -12.119 1.00 2.44 C ATOM 299 O ASP A 21 13.974 24.349 -11.774 1.00 72.32 O ATOM 300 CB ASP A 21 13.520 26.398 -14.356 1.00 71.41 C ATOM 301 CG ASP A 21 13.421 27.759 -15.016 1.00 62.35 C ATOM 302 OD1 ASP A 21 12.443 28.483 -14.738 1.00 71.04 O ATOM 303 OD2 ASP A 21 14.322 28.099 -15.812 1.00 52.31 O ATOM 0 H ASP A 21 15.811 25.711 -12.981 1.00 51.10 H new ATOM 0 HA ASP A 21 13.439 27.408 -12.461 1.00 53.40 H new ATOM 0 HB2 ASP A 21 14.278 25.804 -14.867 1.00 71.41 H new ATOM 0 HB3 ASP A 21 12.572 25.872 -14.471 1.00 71.41 H new ATOM 308 N PRO A 22 11.964 25.363 -11.856 1.00 40.24 N ATOM 309 CA PRO A 22 11.251 24.300 -11.142 1.00 71.25 C ATOM 310 C PRO A 22 11.128 23.026 -11.972 1.00 1.21 C ATOM 311 O PRO A 22 10.836 21.955 -11.441 1.00 2.24 O ATOM 312 CB PRO A 22 9.869 24.908 -10.889 1.00 23.14 C ATOM 313 CG PRO A 22 9.699 25.925 -11.964 1.00 64.41 C ATOM 314 CD PRO A 22 11.073 26.472 -12.237 1.00 60.03 C ATOM 0 HA PRO A 22 11.772 23.999 -10.233 1.00 71.25 H new ATOM 0 HB2 PRO A 22 9.088 24.149 -10.935 1.00 23.14 H new ATOM 0 HB3 PRO A 22 9.812 25.364 -9.900 1.00 23.14 H new ATOM 0 HG2 PRO A 22 9.272 25.477 -12.861 1.00 64.41 H new ATOM 0 HG3 PRO A 22 9.019 26.717 -11.649 1.00 64.41 H new ATOM 0 HD2 PRO A 22 11.196 26.744 -13.285 1.00 60.03 H new ATOM 0 HD3 PRO A 22 11.273 27.368 -11.649 1.00 60.03 H new ATOM 322 N GLN A 23 11.353 23.151 -13.276 1.00 23.41 N ATOM 323 CA GLN A 23 11.267 22.008 -14.178 1.00 3.21 C ATOM 324 C GLN A 23 12.251 20.916 -13.769 1.00 15.41 C ATOM 325 O GLN A 23 11.961 19.728 -13.900 1.00 22.44 O ATOM 326 CB GLN A 23 11.543 22.446 -15.617 1.00 51.23 C ATOM 327 CG GLN A 23 10.880 21.561 -16.660 1.00 60.22 C ATOM 328 CD GLN A 23 9.497 22.048 -17.046 1.00 3.32 C ATOM 329 OE1 GLN A 23 8.651 22.293 -16.186 1.00 14.11 O ATOM 330 NE2 GLN A 23 9.261 22.192 -18.345 1.00 11.25 N ATOM 0 H GLN A 23 11.596 24.031 -13.731 1.00 23.41 H new ATOM 0 HA GLN A 23 10.257 21.603 -14.116 1.00 3.21 H new ATOM 0 HB2 GLN A 23 11.196 23.471 -15.749 1.00 51.23 H new ATOM 0 HB3 GLN A 23 12.620 22.449 -15.787 1.00 51.23 H new ATOM 0 HG2 GLN A 23 11.508 21.522 -17.550 1.00 60.22 H new ATOM 0 HG3 GLN A 23 10.808 20.544 -16.275 1.00 60.22 H new ATOM 0 HE21 GLN A 23 9.992 21.977 -19.023 1.00 11.25 H new ATOM 0 HE22 GLN A 23 8.349 22.518 -18.665 1.00 11.25 H new ATOM 339 N GLU A 24 13.413 21.329 -13.274 1.00 3.11 N ATOM 340 CA GLU A 24 14.439 20.385 -12.847 1.00 63.12 C ATOM 341 C GLU A 24 14.531 20.332 -11.325 1.00 12.01 C ATOM 342 O GLU A 24 14.008 21.204 -10.629 1.00 42.14 O ATOM 343 CB GLU A 24 15.797 20.772 -13.438 1.00 31.44 C ATOM 344 CG GLU A 24 15.723 21.230 -14.884 1.00 42.13 C ATOM 345 CD GLU A 24 16.852 20.675 -15.731 1.00 24.25 C ATOM 346 OE1 GLU A 24 18.026 20.833 -15.333 1.00 55.44 O ATOM 347 OE2 GLU A 24 16.562 20.081 -16.790 1.00 41.23 O ATOM 0 H GLU A 24 13.667 22.310 -13.159 1.00 3.11 H new ATOM 0 HA GLU A 24 14.160 19.396 -13.211 1.00 63.12 H new ATOM 0 HB2 GLU A 24 16.232 21.569 -12.835 1.00 31.44 H new ATOM 0 HB3 GLU A 24 16.470 19.917 -13.370 1.00 31.44 H new ATOM 0 HG2 GLU A 24 14.769 20.921 -15.310 1.00 42.13 H new ATOM 0 HG3 GLU A 24 15.750 22.319 -14.918 1.00 42.13 H new ATOM 354 N LEU A 25 15.198 19.303 -10.814 1.00 14.13 N ATOM 355 CA LEU A 25 15.358 19.135 -9.374 1.00 20.34 C ATOM 356 C LEU A 25 16.803 19.385 -8.954 1.00 11.34 C ATOM 357 O LEU A 25 17.690 19.518 -9.796 1.00 23.52 O ATOM 358 CB LEU A 25 14.930 17.727 -8.954 1.00 13.51 C ATOM 359 CG LEU A 25 13.710 17.643 -8.035 1.00 42.03 C ATOM 360 CD1 LEU A 25 12.537 18.403 -8.634 1.00 70.15 C ATOM 361 CD2 LEU A 25 13.333 16.191 -7.781 1.00 65.32 C ATOM 0 H LEU A 25 15.637 18.573 -11.375 1.00 14.13 H new ATOM 0 HA LEU A 25 14.722 19.866 -8.875 1.00 20.34 H new ATOM 0 HB2 LEU A 25 14.723 17.148 -9.854 1.00 13.51 H new ATOM 0 HB3 LEU A 25 15.771 17.247 -8.453 1.00 13.51 H new ATOM 0 HG LEU A 25 13.966 18.104 -7.081 1.00 42.03 H new ATOM 0 HD11 LEU A 25 11.678 18.332 -7.966 1.00 70.15 H new ATOM 0 HD12 LEU A 25 12.810 19.450 -8.764 1.00 70.15 H new ATOM 0 HD13 LEU A 25 12.281 17.972 -9.602 1.00 70.15 H new ATOM 0 HD21 LEU A 25 12.463 16.150 -7.125 1.00 65.32 H new ATOM 0 HD22 LEU A 25 13.097 15.705 -8.728 1.00 65.32 H new ATOM 0 HD23 LEU A 25 14.169 15.676 -7.308 1.00 65.32 H new ATOM 373 N ALA A 26 17.031 19.447 -7.646 1.00 3.21 N ATOM 374 CA ALA A 26 18.369 19.677 -7.114 1.00 52.31 C ATOM 375 C ALA A 26 18.909 18.428 -6.427 1.00 32.30 C ATOM 376 O ALA A 26 18.144 17.604 -5.923 1.00 70.25 O ATOM 377 CB ALA A 26 18.357 20.851 -6.146 1.00 1.01 C ATOM 0 H ALA A 26 16.307 19.341 -6.936 1.00 3.21 H new ATOM 0 HA ALA A 26 19.029 19.915 -7.948 1.00 52.31 H new ATOM 0 HB1 ALA A 26 19.362 21.012 -5.756 1.00 1.01 H new ATOM 0 HB2 ALA A 26 18.022 21.748 -6.666 1.00 1.01 H new ATOM 0 HB3 ALA A 26 17.678 20.635 -5.321 1.00 1.01 H new ATOM 383 N LEU A 27 20.230 18.292 -6.410 1.00 62.10 N ATOM 384 CA LEU A 27 20.873 17.141 -5.785 1.00 2.42 C ATOM 385 C LEU A 27 21.572 17.545 -4.490 1.00 73.22 C ATOM 386 O LEU A 27 21.982 18.694 -4.327 1.00 23.11 O ATOM 387 CB LEU A 27 21.882 16.511 -6.747 1.00 34.33 C ATOM 388 CG LEU A 27 21.343 16.123 -8.124 1.00 62.22 C ATOM 389 CD1 LEU A 27 22.455 16.157 -9.161 1.00 42.41 C ATOM 390 CD2 LEU A 27 20.699 14.745 -8.076 1.00 52.14 C ATOM 0 H LEU A 27 20.877 18.964 -6.822 1.00 62.10 H new ATOM 0 HA LEU A 27 20.101 16.409 -5.547 1.00 2.42 H new ATOM 0 HB2 LEU A 27 22.707 17.210 -6.885 1.00 34.33 H new ATOM 0 HB3 LEU A 27 22.295 15.619 -6.276 1.00 34.33 H new ATOM 0 HG LEU A 27 20.582 16.848 -8.412 1.00 62.22 H new ATOM 0 HD11 LEU A 27 22.053 15.878 -10.135 1.00 42.41 H new ATOM 0 HD12 LEU A 27 22.872 17.163 -9.215 1.00 42.41 H new ATOM 0 HD13 LEU A 27 23.239 15.454 -8.877 1.00 42.41 H new ATOM 0 HD21 LEU A 27 20.321 14.485 -9.065 1.00 52.14 H new ATOM 0 HD22 LEU A 27 21.440 14.008 -7.766 1.00 52.14 H new ATOM 0 HD23 LEU A 27 19.875 14.753 -7.363 1.00 52.14 H new ATOM 402 N ARG A 28 21.705 16.592 -3.574 1.00 34.43 N ATOM 403 CA ARG A 28 22.355 16.847 -2.294 1.00 55.40 C ATOM 404 C ARG A 28 23.521 15.888 -2.075 1.00 52.12 C ATOM 405 O ARG A 28 23.363 14.671 -2.173 1.00 41.02 O ATOM 406 CB ARG A 28 21.348 16.712 -1.150 1.00 55.14 C ATOM 407 CG ARG A 28 20.191 17.695 -1.238 1.00 23.24 C ATOM 408 CD ARG A 28 20.515 19.001 -0.529 1.00 23.31 C ATOM 409 NE ARG A 28 19.776 20.127 -1.092 1.00 51.21 N ATOM 410 CZ ARG A 28 18.497 20.373 -0.828 1.00 64.43 C ATOM 411 NH1 ARG A 28 17.820 19.575 -0.014 1.00 1.21 N ATOM 412 NH2 ARG A 28 17.894 21.418 -1.379 1.00 72.03 N ATOM 0 H ARG A 28 21.371 15.636 -3.694 1.00 34.43 H new ATOM 0 HA ARG A 28 22.743 17.866 -2.309 1.00 55.40 H new ATOM 0 HB2 ARG A 28 20.951 15.697 -1.144 1.00 55.14 H new ATOM 0 HB3 ARG A 28 21.866 16.857 -0.202 1.00 55.14 H new ATOM 0 HG2 ARG A 28 19.961 17.895 -2.284 1.00 23.24 H new ATOM 0 HG3 ARG A 28 19.300 17.250 -0.795 1.00 23.24 H new ATOM 0 HD2 ARG A 28 20.279 18.906 0.531 1.00 23.31 H new ATOM 0 HD3 ARG A 28 21.585 19.197 -0.601 1.00 23.31 H new ATOM 0 HE ARG A 28 20.268 20.760 -1.723 1.00 51.21 H new ATOM 0 HH11 ARG A 28 18.281 18.770 0.411 1.00 1.21 H new ATOM 0 HH12 ARG A 28 16.838 19.766 0.187 1.00 1.21 H new ATOM 0 HH21 ARG A 28 18.412 22.034 -2.006 1.00 72.03 H new ATOM 0 HH22 ARG A 28 16.912 21.606 -1.176 1.00 72.03 H new ATOM 426 N ARG A 29 24.691 16.445 -1.779 1.00 74.21 N ATOM 427 CA ARG A 29 25.884 15.639 -1.548 1.00 54.22 C ATOM 428 C ARG A 29 25.608 14.540 -0.526 1.00 2.52 C ATOM 429 O ARG A 29 24.983 14.782 0.506 1.00 73.33 O ATOM 430 CB ARG A 29 27.036 16.522 -1.066 1.00 11.31 C ATOM 431 CG ARG A 29 28.377 15.808 -1.030 1.00 60.13 C ATOM 432 CD ARG A 29 29.337 16.474 -0.057 1.00 44.05 C ATOM 433 NE ARG A 29 30.082 17.563 -0.683 1.00 44.21 N ATOM 434 CZ ARG A 29 31.086 17.374 -1.532 1.00 44.21 C ATOM 435 NH1 ARG A 29 31.463 16.145 -1.855 1.00 70.24 N ATOM 436 NH2 ARG A 29 31.716 18.416 -2.060 1.00 55.41 N ATOM 0 H ARG A 29 24.838 17.451 -1.694 1.00 74.21 H new ATOM 0 HA ARG A 29 26.165 15.171 -2.492 1.00 54.22 H new ATOM 0 HB2 ARG A 29 27.114 17.391 -1.719 1.00 11.31 H new ATOM 0 HB3 ARG A 29 26.805 16.893 -0.068 1.00 11.31 H new ATOM 0 HG2 ARG A 29 28.229 14.767 -0.742 1.00 60.13 H new ATOM 0 HG3 ARG A 29 28.815 15.803 -2.028 1.00 60.13 H new ATOM 0 HD2 ARG A 29 28.779 16.860 0.796 1.00 44.05 H new ATOM 0 HD3 ARG A 29 30.036 15.731 0.329 1.00 44.05 H new ATOM 0 HE ARG A 29 29.817 18.521 -0.456 1.00 44.21 H new ATOM 0 HH11 ARG A 29 30.982 15.341 -1.451 1.00 70.24 H new ATOM 0 HH12 ARG A 29 32.234 16.003 -2.507 1.00 70.24 H new ATOM 0 HH21 ARG A 29 31.429 19.363 -1.814 1.00 55.41 H new ATOM 0 HH22 ARG A 29 32.487 18.269 -2.712 1.00 55.41 H new ATOM 450 N ASN A 30 26.079 13.333 -0.821 1.00 5.24 N ATOM 451 CA ASN A 30 25.883 12.197 0.072 1.00 0.04 C ATOM 452 C ASN A 30 24.400 11.866 0.213 1.00 24.21 C ATOM 453 O ASN A 30 23.889 11.725 1.323 1.00 0.24 O ATOM 454 CB ASN A 30 26.484 12.493 1.448 1.00 12.00 C ATOM 455 CG ASN A 30 27.760 13.308 1.358 1.00 32.45 C ATOM 456 OD1 ASN A 30 27.775 14.495 1.683 1.00 5.03 O ATOM 457 ND2 ASN A 30 28.838 12.671 0.916 1.00 50.22 N ATOM 0 H ASN A 30 26.599 13.116 -1.671 1.00 5.24 H new ATOM 0 HA ASN A 30 26.390 11.335 -0.361 1.00 0.04 H new ATOM 0 HB2 ASN A 30 25.754 13.032 2.052 1.00 12.00 H new ATOM 0 HB3 ASN A 30 26.691 11.554 1.961 1.00 12.00 H new ATOM 0 HD21 ASN A 30 29.726 13.167 0.835 1.00 50.22 H new ATOM 0 HD22 ASN A 30 28.778 11.686 0.658 1.00 50.22 H new ATOM 464 N GLU A 31 23.717 11.742 -0.920 1.00 50.14 N ATOM 465 CA GLU A 31 22.293 11.428 -0.923 1.00 21.43 C ATOM 466 C GLU A 31 21.953 10.453 -2.047 1.00 10.22 C ATOM 467 O GLU A 31 22.744 10.253 -2.968 1.00 32.41 O ATOM 468 CB GLU A 31 21.466 12.706 -1.073 1.00 71.03 C ATOM 469 CG GLU A 31 20.109 12.637 -0.392 1.00 63.14 C ATOM 470 CD GLU A 31 20.212 12.286 1.079 1.00 4.53 C ATOM 471 OE1 GLU A 31 21.213 12.678 1.714 1.00 5.24 O ATOM 472 OE2 GLU A 31 19.291 11.620 1.596 1.00 52.23 O ATOM 0 H GLU A 31 24.126 11.854 -1.848 1.00 50.14 H new ATOM 0 HA GLU A 31 22.049 10.957 0.029 1.00 21.43 H new ATOM 0 HB2 GLU A 31 22.028 13.543 -0.659 1.00 71.03 H new ATOM 0 HB3 GLU A 31 21.321 12.912 -2.133 1.00 71.03 H new ATOM 0 HG2 GLU A 31 19.604 13.597 -0.498 1.00 63.14 H new ATOM 0 HG3 GLU A 31 19.491 11.894 -0.896 1.00 63.14 H new ATOM 479 N GLU A 32 20.771 9.851 -1.962 1.00 70.33 N ATOM 480 CA GLU A 32 20.327 8.896 -2.971 1.00 50.45 C ATOM 481 C GLU A 32 19.055 9.384 -3.659 1.00 31.10 C ATOM 482 O GLU A 32 18.285 10.157 -3.088 1.00 41.13 O ATOM 483 CB GLU A 32 20.084 7.525 -2.337 1.00 15.51 C ATOM 484 CG GLU A 32 21.316 6.637 -2.317 1.00 33.40 C ATOM 485 CD GLU A 32 21.307 5.653 -1.163 1.00 33.10 C ATOM 486 OE1 GLU A 32 20.296 4.938 -1.002 1.00 33.41 O ATOM 487 OE2 GLU A 32 22.310 5.598 -0.421 1.00 53.52 O ATOM 0 H GLU A 32 20.104 10.007 -1.206 1.00 70.33 H new ATOM 0 HA GLU A 32 21.113 8.806 -3.720 1.00 50.45 H new ATOM 0 HB2 GLU A 32 19.730 7.664 -1.315 1.00 15.51 H new ATOM 0 HB3 GLU A 32 19.289 7.017 -2.883 1.00 15.51 H new ATOM 0 HG2 GLU A 32 21.379 6.089 -3.257 1.00 33.40 H new ATOM 0 HG3 GLU A 32 22.208 7.260 -2.251 1.00 33.40 H new ATOM 494 N TYR A 33 18.841 8.927 -4.888 1.00 24.12 N ATOM 495 CA TYR A 33 17.665 9.318 -5.655 1.00 50.11 C ATOM 496 C TYR A 33 17.160 8.158 -6.508 1.00 44.11 C ATOM 497 O TYR A 33 17.930 7.523 -7.229 1.00 62.54 O ATOM 498 CB TYR A 33 17.988 10.519 -6.546 1.00 74.55 C ATOM 499 CG TYR A 33 18.290 11.783 -5.774 1.00 31.42 C ATOM 500 CD1 TYR A 33 19.586 12.081 -5.371 1.00 54.44 C ATOM 501 CD2 TYR A 33 17.279 12.679 -5.447 1.00 64.31 C ATOM 502 CE1 TYR A 33 19.866 13.235 -4.665 1.00 20.34 C ATOM 503 CE2 TYR A 33 17.551 13.835 -4.742 1.00 12.21 C ATOM 504 CZ TYR A 33 18.845 14.108 -4.353 1.00 4.55 C ATOM 505 OH TYR A 33 19.121 15.259 -3.650 1.00 11.11 O ATOM 0 H TYR A 33 19.467 8.285 -5.374 1.00 24.12 H new ATOM 0 HA TYR A 33 16.880 9.596 -4.952 1.00 50.11 H new ATOM 0 HB2 TYR A 33 18.844 10.274 -7.175 1.00 74.55 H new ATOM 0 HB3 TYR A 33 17.145 10.703 -7.212 1.00 74.55 H new ATOM 0 HD1 TYR A 33 20.388 11.399 -5.614 1.00 54.44 H new ATOM 0 HD2 TYR A 33 16.264 12.468 -5.749 1.00 64.31 H new ATOM 0 HE1 TYR A 33 20.879 13.452 -4.359 1.00 20.34 H new ATOM 0 HE2 TYR A 33 16.754 14.521 -4.497 1.00 12.21 H new ATOM 0 HH TYR A 33 18.293 15.765 -3.513 1.00 11.11 H new ATOM 515 N CYS A 34 15.863 7.889 -6.420 1.00 74.12 N ATOM 516 CA CYS A 34 15.253 6.805 -7.183 1.00 41.53 C ATOM 517 C CYS A 34 15.202 7.148 -8.669 1.00 0.34 C ATOM 518 O CYS A 34 14.383 7.960 -9.102 1.00 0.13 O ATOM 519 CB CYS A 34 13.843 6.519 -6.665 1.00 21.02 C ATOM 520 SG CYS A 34 13.800 5.548 -5.140 1.00 44.11 S ATOM 0 H CYS A 34 15.213 8.406 -5.828 1.00 74.12 H new ATOM 0 HA CYS A 34 15.867 5.913 -7.055 1.00 41.53 H new ATOM 0 HB2 CYS A 34 13.331 7.466 -6.495 1.00 21.02 H new ATOM 0 HB3 CYS A 34 13.285 5.989 -7.437 1.00 21.02 H new ATOM 0 HG CYS A 34 12.565 5.360 -4.780 1.00 44.11 H new ATOM 526 N LEU A 35 16.083 6.526 -9.444 1.00 52.35 N ATOM 527 CA LEU A 35 16.140 6.766 -10.882 1.00 52.53 C ATOM 528 C LEU A 35 14.824 6.381 -11.551 1.00 65.43 C ATOM 529 O LEU A 35 14.275 5.309 -11.293 1.00 20.11 O ATOM 530 CB LEU A 35 17.293 5.978 -11.506 1.00 32.13 C ATOM 531 CG LEU A 35 17.943 6.603 -12.740 1.00 43.03 C ATOM 532 CD1 LEU A 35 16.939 6.707 -13.878 1.00 22.03 C ATOM 533 CD2 LEU A 35 18.516 7.972 -12.405 1.00 45.45 C ATOM 0 H LEU A 35 16.768 5.852 -9.101 1.00 52.35 H new ATOM 0 HA LEU A 35 16.309 7.831 -11.041 1.00 52.53 H new ATOM 0 HB2 LEU A 35 18.063 5.837 -10.747 1.00 32.13 H new ATOM 0 HB3 LEU A 35 16.926 4.988 -11.776 1.00 32.13 H new ATOM 0 HG LEU A 35 18.760 5.958 -13.062 1.00 43.03 H new ATOM 0 HD11 LEU A 35 17.420 7.154 -14.748 1.00 22.03 H new ATOM 0 HD12 LEU A 35 16.577 5.712 -14.135 1.00 22.03 H new ATOM 0 HD13 LEU A 35 16.100 7.330 -13.567 1.00 22.03 H new ATOM 0 HD21 LEU A 35 18.975 8.402 -13.295 1.00 45.45 H new ATOM 0 HD22 LEU A 35 17.716 8.626 -12.057 1.00 45.45 H new ATOM 0 HD23 LEU A 35 19.268 7.870 -11.622 1.00 45.45 H new ATOM 545 N LEU A 36 14.325 7.259 -12.414 1.00 4.34 N ATOM 546 CA LEU A 36 13.075 7.010 -13.123 1.00 0.14 C ATOM 547 C LEU A 36 13.305 6.956 -14.629 1.00 60.35 C ATOM 548 O LEU A 36 12.866 6.022 -15.301 1.00 50.02 O ATOM 549 CB LEU A 36 12.052 8.098 -12.790 1.00 71.43 C ATOM 550 CG LEU A 36 11.849 8.397 -11.305 1.00 20.25 C ATOM 551 CD1 LEU A 36 11.514 9.866 -11.097 1.00 30.43 C ATOM 552 CD2 LEU A 36 10.755 7.511 -10.727 1.00 14.32 C ATOM 0 H LEU A 36 14.767 8.150 -12.640 1.00 4.34 H new ATOM 0 HA LEU A 36 12.688 6.044 -12.799 1.00 0.14 H new ATOM 0 HB2 LEU A 36 12.356 9.019 -13.287 1.00 71.43 H new ATOM 0 HB3 LEU A 36 11.092 7.808 -13.216 1.00 71.43 H new ATOM 0 HG LEU A 36 12.779 8.180 -10.780 1.00 20.25 H new ATOM 0 HD11 LEU A 36 11.373 10.060 -10.034 1.00 30.43 H new ATOM 0 HD12 LEU A 36 12.331 10.482 -11.473 1.00 30.43 H new ATOM 0 HD13 LEU A 36 10.598 10.110 -11.635 1.00 30.43 H new ATOM 0 HD21 LEU A 36 10.624 7.738 -9.669 1.00 14.32 H new ATOM 0 HD22 LEU A 36 9.820 7.696 -11.256 1.00 14.32 H new ATOM 0 HD23 LEU A 36 11.036 6.464 -10.842 1.00 14.32 H new ATOM 564 N ASP A 37 13.997 7.961 -15.154 1.00 24.04 N ATOM 565 CA ASP A 37 14.289 8.026 -16.581 1.00 1.31 C ATOM 566 C ASP A 37 15.750 8.395 -16.821 1.00 13.33 C ATOM 567 O ASP A 37 16.221 9.435 -16.360 1.00 43.04 O ATOM 568 CB ASP A 37 13.374 9.044 -17.264 1.00 62.01 C ATOM 569 CG ASP A 37 12.496 8.412 -18.326 1.00 32.23 C ATOM 570 OD1 ASP A 37 13.017 7.604 -19.123 1.00 10.23 O ATOM 571 OD2 ASP A 37 11.287 8.725 -18.360 1.00 41.10 O ATOM 0 H ASP A 37 14.366 8.742 -14.612 1.00 24.04 H new ATOM 0 HA ASP A 37 14.107 7.040 -17.009 1.00 1.31 H new ATOM 0 HB2 ASP A 37 12.744 9.523 -16.514 1.00 62.01 H new ATOM 0 HB3 ASP A 37 13.981 9.827 -17.718 1.00 62.01 H new ATOM 576 N SER A 38 16.461 7.536 -17.543 1.00 60.23 N ATOM 577 CA SER A 38 17.870 7.769 -17.840 1.00 74.11 C ATOM 578 C SER A 38 18.160 7.529 -19.318 1.00 62.34 C ATOM 579 O SER A 38 18.387 6.395 -19.742 1.00 2.24 O ATOM 580 CB SER A 38 18.751 6.860 -16.981 1.00 72.12 C ATOM 581 OG SER A 38 19.167 7.522 -15.799 1.00 72.32 O ATOM 0 H SER A 38 16.085 6.672 -17.934 1.00 60.23 H new ATOM 0 HA SER A 38 18.098 8.809 -17.607 1.00 74.11 H new ATOM 0 HB2 SER A 38 18.201 5.956 -16.721 1.00 72.12 H new ATOM 0 HB3 SER A 38 19.625 6.548 -17.554 1.00 72.12 H new ATOM 0 HG SER A 38 19.596 8.371 -16.033 1.00 72.32 H new ATOM 587 N SER A 39 18.151 8.604 -20.099 1.00 42.32 N ATOM 588 CA SER A 39 18.410 8.512 -21.531 1.00 73.43 C ATOM 589 C SER A 39 19.824 8.980 -21.859 1.00 41.04 C ATOM 590 O SER A 39 20.540 8.336 -22.625 1.00 40.15 O ATOM 591 CB SER A 39 17.391 9.345 -22.310 1.00 54.41 C ATOM 592 OG SER A 39 17.845 9.608 -23.626 1.00 64.23 O ATOM 0 H SER A 39 17.967 9.550 -19.764 1.00 42.32 H new ATOM 0 HA SER A 39 18.315 7.467 -21.825 1.00 73.43 H new ATOM 0 HB2 SER A 39 16.439 8.816 -22.350 1.00 54.41 H new ATOM 0 HB3 SER A 39 17.212 10.286 -21.789 1.00 54.41 H new ATOM 0 HG SER A 39 17.175 10.141 -24.103 1.00 64.23 H new ATOM 598 N GLU A 40 20.219 10.106 -21.273 1.00 52.13 N ATOM 599 CA GLU A 40 21.547 10.662 -21.504 1.00 21.31 C ATOM 600 C GLU A 40 21.938 11.620 -20.382 1.00 63.25 C ATOM 601 O GLU A 40 21.084 12.108 -19.642 1.00 74.53 O ATOM 602 CB GLU A 40 21.594 11.388 -22.850 1.00 13.13 C ATOM 603 CG GLU A 40 22.778 10.992 -23.715 1.00 25.24 C ATOM 604 CD GLU A 40 22.360 10.284 -24.989 1.00 31.15 C ATOM 605 OE1 GLU A 40 21.688 10.921 -25.827 1.00 30.40 O ATOM 606 OE2 GLU A 40 22.703 9.094 -25.147 1.00 65.01 O ATOM 0 H GLU A 40 19.639 10.651 -20.635 1.00 52.13 H new ATOM 0 HA GLU A 40 22.260 9.838 -21.520 1.00 21.31 H new ATOM 0 HB2 GLU A 40 20.672 11.184 -23.395 1.00 13.13 H new ATOM 0 HB3 GLU A 40 21.628 12.463 -22.672 1.00 13.13 H new ATOM 0 HG2 GLU A 40 23.351 11.884 -23.971 1.00 25.24 H new ATOM 0 HG3 GLU A 40 23.440 10.342 -23.143 1.00 25.24 H new ATOM 613 N ILE A 41 23.235 11.884 -20.263 1.00 61.25 N ATOM 614 CA ILE A 41 23.740 12.783 -19.233 1.00 54.35 C ATOM 615 C ILE A 41 23.070 14.151 -19.322 1.00 21.44 C ATOM 616 O ILE A 41 23.090 14.926 -18.365 1.00 50.45 O ATOM 617 CB ILE A 41 25.265 12.963 -19.341 1.00 43.44 C ATOM 618 CG1 ILE A 41 25.770 13.896 -18.238 1.00 60.04 C ATOM 619 CG2 ILE A 41 25.639 13.506 -20.713 1.00 30.51 C ATOM 620 CD1 ILE A 41 27.278 13.986 -18.167 1.00 3.24 C ATOM 0 H ILE A 41 23.955 11.488 -20.867 1.00 61.25 H new ATOM 0 HA ILE A 41 23.504 12.327 -18.272 1.00 54.35 H new ATOM 0 HB ILE A 41 25.740 11.990 -19.215 1.00 43.44 H new ATOM 0 HG12 ILE A 41 25.362 14.893 -18.402 1.00 60.04 H new ATOM 0 HG13 ILE A 41 25.389 13.549 -17.277 1.00 60.04 H new ATOM 0 HG21 ILE A 41 26.720 13.628 -20.774 1.00 30.51 H new ATOM 0 HG22 ILE A 41 25.309 12.809 -21.483 1.00 30.51 H new ATOM 0 HG23 ILE A 41 25.156 14.471 -20.866 1.00 30.51 H new ATOM 0 HD11 ILE A 41 27.565 14.664 -17.363 1.00 3.24 H new ATOM 0 HD12 ILE A 41 27.693 12.997 -17.972 1.00 3.24 H new ATOM 0 HD13 ILE A 41 27.665 14.362 -19.114 1.00 3.24 H new ATOM 632 N HIS A 42 22.476 14.439 -20.475 1.00 51.21 N ATOM 633 CA HIS A 42 21.797 15.713 -20.688 1.00 22.32 C ATOM 634 C HIS A 42 20.765 15.968 -19.594 1.00 32.43 C ATOM 635 O HIS A 42 20.705 17.058 -19.026 1.00 11.03 O ATOM 636 CB HIS A 42 21.120 15.731 -22.058 1.00 51.05 C ATOM 637 CG HIS A 42 22.079 15.881 -23.199 1.00 25.43 C ATOM 638 ND1 HIS A 42 23.143 15.028 -23.404 1.00 24.32 N ATOM 639 CD2 HIS A 42 22.130 16.790 -24.200 1.00 0.33 C ATOM 640 CE1 HIS A 42 23.808 15.407 -24.481 1.00 11.44 C ATOM 641 NE2 HIS A 42 23.213 16.475 -24.983 1.00 22.54 N ATOM 0 H HIS A 42 22.451 13.808 -21.276 1.00 51.21 H new ATOM 0 HA HIS A 42 22.544 16.506 -20.650 1.00 22.32 H new ATOM 0 HB2 HIS A 42 20.556 14.807 -22.187 1.00 51.05 H new ATOM 0 HB3 HIS A 42 20.401 16.550 -22.088 1.00 51.05 H new ATOM 0 HD2 HIS A 42 21.446 17.611 -24.354 1.00 0.33 H new ATOM 0 HE1 HIS A 42 24.688 14.926 -24.883 1.00 11.44 H new ATOM 0 HE2 HIS A 42 23.510 16.983 -25.816 1.00 22.54 H new ATOM 649 N TRP A 43 19.955 14.956 -19.305 1.00 32.25 N ATOM 650 CA TRP A 43 18.924 15.071 -18.279 1.00 2.11 C ATOM 651 C TRP A 43 18.554 13.701 -17.723 1.00 34.40 C ATOM 652 O TRP A 43 18.253 12.775 -18.477 1.00 43.54 O ATOM 653 CB TRP A 43 17.682 15.756 -18.850 1.00 53.50 C ATOM 654 CG TRP A 43 17.058 15.005 -19.987 1.00 24.41 C ATOM 655 CD1 TRP A 43 17.283 15.200 -21.320 1.00 23.23 C ATOM 656 CD2 TRP A 43 16.106 13.940 -19.890 1.00 65.44 C ATOM 657 NE1 TRP A 43 16.528 14.320 -22.058 1.00 5.24 N ATOM 658 CE2 TRP A 43 15.799 13.536 -21.204 1.00 75.33 C ATOM 659 CE3 TRP A 43 15.486 13.286 -18.822 1.00 51.43 C ATOM 660 CZ2 TRP A 43 14.897 12.510 -21.475 1.00 70.05 C ATOM 661 CZ3 TRP A 43 14.591 12.269 -19.093 1.00 61.30 C ATOM 662 CH2 TRP A 43 14.304 11.888 -20.411 1.00 30.14 C ATOM 0 H TRP A 43 19.992 14.047 -19.766 1.00 32.25 H new ATOM 0 HA TRP A 43 19.322 15.677 -17.465 1.00 2.11 H new ATOM 0 HB2 TRP A 43 16.945 15.876 -18.056 1.00 53.50 H new ATOM 0 HB3 TRP A 43 17.951 16.756 -19.189 1.00 53.50 H new ATOM 0 HD1 TRP A 43 17.955 15.937 -21.733 1.00 23.23 H new ATOM 0 HE1 TRP A 43 16.513 14.261 -23.076 1.00 5.24 H new ATOM 0 HE3 TRP A 43 15.703 13.570 -17.803 1.00 51.43 H new ATOM 0 HZ2 TRP A 43 14.674 12.216 -22.490 1.00 70.05 H new ATOM 0 HZ3 TRP A 43 14.104 11.759 -18.275 1.00 61.30 H new ATOM 0 HH2 TRP A 43 13.601 11.088 -20.590 1.00 30.14 H new ATOM 673 N TRP A 44 18.577 13.578 -16.401 1.00 33.41 N ATOM 674 CA TRP A 44 18.242 12.319 -15.745 1.00 25.53 C ATOM 675 C TRP A 44 17.086 12.503 -14.769 1.00 54.50 C ATOM 676 O TRP A 44 17.200 13.240 -13.789 1.00 52.02 O ATOM 677 CB TRP A 44 19.463 11.764 -15.009 1.00 30.34 C ATOM 678 CG TRP A 44 20.255 10.786 -15.824 1.00 13.43 C ATOM 679 CD1 TRP A 44 20.375 10.762 -17.184 1.00 23.42 C ATOM 680 CD2 TRP A 44 21.034 9.691 -15.330 1.00 13.32 C ATOM 681 NE1 TRP A 44 21.182 9.717 -17.565 1.00 64.02 N ATOM 682 CE2 TRP A 44 21.600 9.046 -16.446 1.00 72.35 C ATOM 683 CE3 TRP A 44 21.310 9.195 -14.053 1.00 71.42 C ATOM 684 CZ2 TRP A 44 22.423 7.930 -16.323 1.00 23.15 C ATOM 685 CZ3 TRP A 44 22.127 8.087 -13.932 1.00 21.12 C ATOM 686 CH2 TRP A 44 22.677 7.465 -15.061 1.00 32.13 C ATOM 0 H TRP A 44 18.824 14.334 -15.762 1.00 33.41 H new ATOM 0 HA TRP A 44 17.934 11.609 -16.513 1.00 25.53 H new ATOM 0 HB2 TRP A 44 20.110 12.592 -14.718 1.00 30.34 H new ATOM 0 HB3 TRP A 44 19.135 11.278 -14.090 1.00 30.34 H new ATOM 0 HD1 TRP A 44 19.905 11.461 -17.860 1.00 23.42 H new ATOM 0 HE1 TRP A 44 21.430 9.479 -18.525 1.00 64.02 H new ATOM 0 HE3 TRP A 44 20.893 9.669 -13.177 1.00 71.42 H new ATOM 0 HZ2 TRP A 44 22.846 7.448 -17.192 1.00 23.15 H new ATOM 0 HZ3 TRP A 44 22.345 7.694 -12.950 1.00 21.12 H new ATOM 0 HH2 TRP A 44 23.314 6.602 -14.933 1.00 32.13 H new ATOM 697 N ARG A 45 15.973 11.831 -15.043 1.00 33.30 N ATOM 698 CA ARG A 45 14.795 11.922 -14.189 1.00 14.41 C ATOM 699 C ARG A 45 14.938 11.020 -12.967 1.00 35.02 C ATOM 700 O ARG A 45 15.080 9.804 -13.093 1.00 65.23 O ATOM 701 CB ARG A 45 13.538 11.541 -14.974 1.00 64.40 C ATOM 702 CG ARG A 45 12.526 12.668 -15.089 1.00 12.32 C ATOM 703 CD ARG A 45 11.102 12.136 -15.137 1.00 62.01 C ATOM 704 NE ARG A 45 10.114 13.210 -15.086 1.00 41.21 N ATOM 705 CZ ARG A 45 9.768 13.838 -13.968 1.00 20.12 C ATOM 706 NH1 ARG A 45 10.328 13.501 -12.814 1.00 75.30 N ATOM 707 NH2 ARG A 45 8.861 14.806 -14.002 1.00 71.32 N ATOM 0 H ARG A 45 15.862 11.217 -15.850 1.00 33.30 H new ATOM 0 HA ARG A 45 14.703 12.953 -13.849 1.00 14.41 H new ATOM 0 HB2 ARG A 45 13.828 11.221 -15.975 1.00 64.40 H new ATOM 0 HB3 ARG A 45 13.064 10.686 -14.491 1.00 64.40 H new ATOM 0 HG2 ARG A 45 12.635 13.344 -14.241 1.00 12.32 H new ATOM 0 HG3 ARG A 45 12.729 13.250 -15.988 1.00 12.32 H new ATOM 0 HD2 ARG A 45 10.962 11.558 -16.050 1.00 62.01 H new ATOM 0 HD3 ARG A 45 10.941 11.455 -14.301 1.00 62.01 H new ATOM 0 HE ARG A 45 9.665 13.494 -15.957 1.00 41.21 H new ATOM 0 HH11 ARG A 45 11.026 12.758 -12.784 1.00 75.30 H new ATOM 0 HH12 ARG A 45 10.061 13.985 -11.957 1.00 75.30 H new ATOM 0 HH21 ARG A 45 8.428 15.069 -14.888 1.00 71.32 H new ATOM 0 HH22 ARG A 45 8.596 15.287 -13.143 1.00 71.32 H new ATOM 721 N VAL A 46 14.898 11.624 -11.783 1.00 44.35 N ATOM 722 CA VAL A 46 15.023 10.876 -10.538 1.00 72.04 C ATOM 723 C VAL A 46 13.979 11.324 -9.521 1.00 43.03 C ATOM 724 O VAL A 46 13.288 12.321 -9.726 1.00 10.42 O ATOM 725 CB VAL A 46 16.426 11.038 -9.924 1.00 13.53 C ATOM 726 CG1 VAL A 46 17.498 10.637 -10.925 1.00 74.15 C ATOM 727 CG2 VAL A 46 16.637 12.468 -9.449 1.00 53.32 C ATOM 0 H VAL A 46 14.780 12.630 -11.660 1.00 44.35 H new ATOM 0 HA VAL A 46 14.861 9.826 -10.782 1.00 72.04 H new ATOM 0 HB VAL A 46 16.504 10.377 -9.061 1.00 13.53 H new ATOM 0 HG11 VAL A 46 18.482 10.758 -10.472 1.00 74.15 H new ATOM 0 HG12 VAL A 46 17.357 9.595 -11.212 1.00 74.15 H new ATOM 0 HG13 VAL A 46 17.425 11.270 -11.810 1.00 74.15 H new ATOM 0 HG21 VAL A 46 17.633 12.565 -9.018 1.00 53.32 H new ATOM 0 HG22 VAL A 46 16.539 13.150 -10.294 1.00 53.32 H new ATOM 0 HG23 VAL A 46 15.890 12.715 -8.695 1.00 53.32 H new ATOM 737 N GLN A 47 13.872 10.580 -8.425 1.00 51.21 N ATOM 738 CA GLN A 47 12.912 10.901 -7.376 1.00 11.44 C ATOM 739 C GLN A 47 13.596 10.969 -6.014 1.00 40.12 C ATOM 740 O GLN A 47 14.469 10.157 -5.706 1.00 51.41 O ATOM 741 CB GLN A 47 11.791 9.861 -7.345 1.00 12.20 C ATOM 742 CG GLN A 47 10.877 9.987 -6.137 1.00 21.25 C ATOM 743 CD GLN A 47 9.572 9.236 -6.311 1.00 71.21 C ATOM 744 OE1 GLN A 47 9.111 9.021 -7.433 1.00 23.43 O ATOM 745 NE2 GLN A 47 8.968 8.832 -5.200 1.00 33.13 N ATOM 0 H GLN A 47 14.438 9.752 -8.241 1.00 51.21 H new ATOM 0 HA GLN A 47 12.485 11.879 -7.597 1.00 11.44 H new ATOM 0 HB2 GLN A 47 11.195 9.955 -8.253 1.00 12.20 H new ATOM 0 HB3 GLN A 47 12.231 8.864 -7.354 1.00 12.20 H new ATOM 0 HG2 GLN A 47 11.394 9.610 -5.254 1.00 21.25 H new ATOM 0 HG3 GLN A 47 10.664 11.041 -5.956 1.00 21.25 H new ATOM 0 HE21 GLN A 47 9.385 9.032 -4.291 1.00 33.13 H new ATOM 0 HE22 GLN A 47 8.086 8.322 -5.255 1.00 33.13 H new ATOM 754 N ASP A 48 13.194 11.942 -5.204 1.00 24.03 N ATOM 755 CA ASP A 48 13.768 12.115 -3.874 1.00 43.54 C ATOM 756 C ASP A 48 13.182 11.105 -2.893 1.00 53.42 C ATOM 757 O ASP A 48 12.391 10.242 -3.274 1.00 53.42 O ATOM 758 CB ASP A 48 13.520 13.538 -3.370 1.00 44.12 C ATOM 759 CG ASP A 48 14.275 14.577 -4.176 1.00 14.50 C ATOM 760 OD1 ASP A 48 14.621 14.288 -5.340 1.00 40.32 O ATOM 761 OD2 ASP A 48 14.519 15.680 -3.642 1.00 63.20 O ATOM 0 H ASP A 48 12.473 12.623 -5.444 1.00 24.03 H new ATOM 0 HA ASP A 48 14.842 11.944 -3.944 1.00 43.54 H new ATOM 0 HB2 ASP A 48 12.453 13.755 -3.412 1.00 44.12 H new ATOM 0 HB3 ASP A 48 13.818 13.607 -2.324 1.00 44.12 H new ATOM 766 N ARG A 49 13.576 11.219 -1.629 1.00 33.40 N ATOM 767 CA ARG A 49 13.091 10.314 -0.594 1.00 32.14 C ATOM 768 C ARG A 49 11.872 10.900 0.113 1.00 2.03 C ATOM 769 O ARG A 49 11.492 10.448 1.193 1.00 53.45 O ATOM 770 CB ARG A 49 14.197 10.030 0.424 1.00 12.14 C ATOM 771 CG ARG A 49 14.727 11.278 1.111 1.00 20.04 C ATOM 772 CD ARG A 49 15.628 10.927 2.286 1.00 55.44 C ATOM 773 NE ARG A 49 15.939 12.096 3.104 1.00 20.14 N ATOM 774 CZ ARG A 49 16.916 12.124 4.004 1.00 20.40 C ATOM 775 NH1 ARG A 49 17.673 11.052 4.199 1.00 53.51 N ATOM 776 NH2 ARG A 49 17.138 13.225 4.710 1.00 20.45 N ATOM 0 H ARG A 49 14.229 11.929 -1.297 1.00 33.40 H new ATOM 0 HA ARG A 49 12.798 9.379 -1.072 1.00 32.14 H new ATOM 0 HB2 ARG A 49 13.816 9.343 1.180 1.00 12.14 H new ATOM 0 HB3 ARG A 49 15.021 9.525 -0.079 1.00 12.14 H new ATOM 0 HG2 ARG A 49 15.282 11.882 0.393 1.00 20.04 H new ATOM 0 HG3 ARG A 49 13.892 11.885 1.460 1.00 20.04 H new ATOM 0 HD2 ARG A 49 15.142 10.172 2.903 1.00 55.44 H new ATOM 0 HD3 ARG A 49 16.554 10.487 1.915 1.00 55.44 H new ATOM 0 HE ARG A 49 15.376 12.937 2.978 1.00 20.14 H new ATOM 0 HH11 ARG A 49 17.506 10.204 3.657 1.00 53.51 H new ATOM 0 HH12 ARG A 49 18.422 11.076 4.890 1.00 53.51 H new ATOM 0 HH21 ARG A 49 16.558 14.051 4.562 1.00 20.45 H new ATOM 0 HH22 ARG A 49 17.888 13.245 5.401 1.00 20.45 H new ATOM 790 N ASN A 50 11.265 11.909 -0.503 1.00 61.13 N ATOM 791 CA ASN A 50 10.090 12.558 0.067 1.00 23.35 C ATOM 792 C ASN A 50 8.877 12.384 -0.841 1.00 63.44 C ATOM 793 O ASN A 50 7.736 12.411 -0.383 1.00 50.52 O ATOM 794 CB ASN A 50 10.363 14.046 0.293 1.00 1.21 C ATOM 795 CG ASN A 50 11.671 14.290 1.021 1.00 50.41 C ATOM 796 OD1 ASN A 50 11.693 14.462 2.240 1.00 43.12 O ATOM 797 ND2 ASN A 50 12.769 14.307 0.274 1.00 1.43 N ATOM 0 H ASN A 50 11.568 12.295 -1.397 1.00 61.13 H new ATOM 0 HA ASN A 50 9.874 12.085 1.025 1.00 23.35 H new ATOM 0 HB2 ASN A 50 10.384 14.559 -0.669 1.00 1.21 H new ATOM 0 HB3 ASN A 50 9.544 14.480 0.867 1.00 1.21 H new ATOM 0 HD21 ASN A 50 13.678 14.467 0.707 1.00 1.43 H new ATOM 0 HD22 ASN A 50 12.703 14.160 -0.733 1.00 1.43 H new ATOM 804 N GLY A 51 9.134 12.203 -2.134 1.00 12.23 N ATOM 805 CA GLY A 51 8.054 12.027 -3.087 1.00 34.33 C ATOM 806 C GLY A 51 8.069 13.076 -4.181 1.00 33.51 C ATOM 807 O GLY A 51 7.032 13.385 -4.769 1.00 12.24 O ATOM 0 H GLY A 51 10.070 12.175 -2.537 1.00 12.23 H new ATOM 0 HA2 GLY A 51 8.128 11.037 -3.536 1.00 34.33 H new ATOM 0 HA3 GLY A 51 7.100 12.068 -2.562 1.00 34.33 H new ATOM 811 N HIS A 52 9.247 13.626 -4.455 1.00 64.30 N ATOM 812 CA HIS A 52 9.393 14.647 -5.486 1.00 10.42 C ATOM 813 C HIS A 52 10.342 14.179 -6.585 1.00 32.11 C ATOM 814 O HIS A 52 11.484 13.809 -6.315 1.00 11.01 O ATOM 815 CB HIS A 52 9.907 15.950 -4.873 1.00 43.41 C ATOM 816 CG HIS A 52 9.145 16.383 -3.658 1.00 64.33 C ATOM 817 ND1 HIS A 52 9.663 16.315 -2.382 1.00 12.01 N ATOM 818 CD2 HIS A 52 7.898 16.892 -3.531 1.00 0.45 C ATOM 819 CE1 HIS A 52 8.766 16.763 -1.521 1.00 71.34 C ATOM 820 NE2 HIS A 52 7.686 17.120 -2.193 1.00 21.20 N ATOM 0 H HIS A 52 10.115 13.382 -3.977 1.00 64.30 H new ATOM 0 HA HIS A 52 8.413 14.824 -5.929 1.00 10.42 H new ATOM 0 HB2 HIS A 52 10.957 15.828 -4.608 1.00 43.41 H new ATOM 0 HB3 HIS A 52 9.857 16.739 -5.623 1.00 43.41 H new ATOM 0 HD2 HIS A 52 7.199 17.083 -4.332 1.00 0.45 H new ATOM 0 HE1 HIS A 52 8.894 16.826 -0.450 1.00 71.34 H new ATOM 0 HE2 HIS A 52 6.833 17.503 -1.785 1.00 21.20 H new ATOM 828 N GLU A 53 9.860 14.197 -7.824 1.00 11.13 N ATOM 829 CA GLU A 53 10.666 13.772 -8.962 1.00 54.45 C ATOM 830 C GLU A 53 11.004 14.958 -9.862 1.00 22.22 C ATOM 831 O GLU A 53 10.195 15.867 -10.040 1.00 12.02 O ATOM 832 CB GLU A 53 9.926 12.702 -9.768 1.00 1.01 C ATOM 833 CG GLU A 53 9.290 11.624 -8.907 1.00 34.20 C ATOM 834 CD GLU A 53 7.871 11.967 -8.496 1.00 52.14 C ATOM 835 OE1 GLU A 53 6.982 11.965 -9.373 1.00 51.12 O ATOM 836 OE2 GLU A 53 7.650 12.237 -7.297 1.00 51.52 O ATOM 0 H GLU A 53 8.917 14.501 -8.065 1.00 11.13 H new ATOM 0 HA GLU A 53 11.596 13.351 -8.579 1.00 54.45 H new ATOM 0 HB2 GLU A 53 9.151 13.181 -10.367 1.00 1.01 H new ATOM 0 HB3 GLU A 53 10.624 12.235 -10.463 1.00 1.01 H new ATOM 0 HG2 GLU A 53 9.288 10.681 -9.454 1.00 34.20 H new ATOM 0 HG3 GLU A 53 9.896 11.473 -8.014 1.00 34.20 H new ATOM 843 N GLY A 54 12.208 14.940 -10.426 1.00 50.23 N ATOM 844 CA GLY A 54 12.634 16.018 -11.299 1.00 54.44 C ATOM 845 C GLY A 54 13.804 15.625 -12.178 1.00 63.13 C ATOM 846 O GLY A 54 14.207 14.462 -12.203 1.00 62.34 O ATOM 0 H GLY A 54 12.896 14.198 -10.294 1.00 50.23 H new ATOM 0 HA2 GLY A 54 11.798 16.324 -11.928 1.00 54.44 H new ATOM 0 HA3 GLY A 54 12.911 16.882 -10.695 1.00 54.44 H new ATOM 850 N TYR A 55 14.351 16.595 -12.902 1.00 52.22 N ATOM 851 CA TYR A 55 15.480 16.343 -13.790 1.00 13.40 C ATOM 852 C TYR A 55 16.791 16.775 -13.140 1.00 53.53 C ATOM 853 O TYR A 55 16.852 17.800 -12.460 1.00 22.53 O ATOM 854 CB TYR A 55 15.287 17.081 -15.116 1.00 3.20 C ATOM 855 CG TYR A 55 14.092 16.601 -15.908 1.00 42.21 C ATOM 856 CD1 TYR A 55 12.808 17.025 -15.590 1.00 53.42 C ATOM 857 CD2 TYR A 55 14.247 15.723 -16.973 1.00 41.05 C ATOM 858 CE1 TYR A 55 11.713 16.589 -16.311 1.00 14.04 C ATOM 859 CE2 TYR A 55 13.158 15.283 -17.700 1.00 70.33 C ATOM 860 CZ TYR A 55 11.893 15.718 -17.365 1.00 11.20 C ATOM 861 OH TYR A 55 10.805 15.281 -18.086 1.00 24.34 O ATOM 0 H TYR A 55 14.031 17.563 -12.891 1.00 52.22 H new ATOM 0 HA TYR A 55 15.527 15.271 -13.982 1.00 13.40 H new ATOM 0 HB2 TYR A 55 15.175 18.147 -14.916 1.00 3.20 H new ATOM 0 HB3 TYR A 55 16.185 16.963 -15.722 1.00 3.20 H new ATOM 0 HD1 TYR A 55 12.663 17.707 -14.765 1.00 53.42 H new ATOM 0 HD2 TYR A 55 15.236 15.378 -17.237 1.00 41.05 H new ATOM 0 HE1 TYR A 55 10.721 16.928 -16.051 1.00 14.04 H new ATOM 0 HE2 TYR A 55 13.297 14.602 -18.527 1.00 70.33 H new ATOM 0 HH TYR A 55 11.105 14.674 -18.794 1.00 24.34 H new ATOM 871 N VAL A 56 17.839 15.987 -13.356 1.00 73.31 N ATOM 872 CA VAL A 56 19.150 16.287 -12.794 1.00 61.11 C ATOM 873 C VAL A 56 20.265 15.734 -13.674 1.00 61.34 C ATOM 874 O VAL A 56 20.076 14.784 -14.435 1.00 22.02 O ATOM 875 CB VAL A 56 19.298 15.709 -11.374 1.00 13.10 C ATOM 876 CG1 VAL A 56 18.547 16.568 -10.367 1.00 63.33 C ATOM 877 CG2 VAL A 56 18.806 14.270 -11.331 1.00 2.10 C ATOM 0 H VAL A 56 17.805 15.135 -13.917 1.00 73.31 H new ATOM 0 HA VAL A 56 19.233 17.373 -12.747 1.00 61.11 H new ATOM 0 HB VAL A 56 20.354 15.716 -11.106 1.00 13.10 H new ATOM 0 HG11 VAL A 56 18.663 16.144 -9.369 1.00 63.33 H new ATOM 0 HG12 VAL A 56 18.950 17.581 -10.380 1.00 63.33 H new ATOM 0 HG13 VAL A 56 17.489 16.595 -10.629 1.00 63.33 H new ATOM 0 HG21 VAL A 56 18.918 13.877 -10.320 1.00 2.10 H new ATOM 0 HG22 VAL A 56 17.755 14.236 -11.619 1.00 2.10 H new ATOM 0 HG23 VAL A 56 19.392 13.664 -12.022 1.00 2.10 H new ATOM 887 N PRO A 57 21.457 16.340 -13.571 1.00 11.13 N ATOM 888 CA PRO A 57 22.627 15.924 -14.349 1.00 42.34 C ATOM 889 C PRO A 57 23.168 14.570 -13.905 1.00 31.43 C ATOM 890 O PRO A 57 23.322 14.314 -12.711 1.00 32.25 O ATOM 891 CB PRO A 57 23.651 17.027 -14.068 1.00 53.10 C ATOM 892 CG PRO A 57 23.253 17.585 -12.745 1.00 73.41 C ATOM 893 CD PRO A 57 21.754 17.478 -12.685 1.00 0.23 C ATOM 0 HA PRO A 57 22.390 15.802 -15.406 1.00 42.34 H new ATOM 0 HB2 PRO A 57 24.665 16.628 -14.041 1.00 53.10 H new ATOM 0 HB3 PRO A 57 23.631 17.793 -14.843 1.00 53.10 H new ATOM 0 HG2 PRO A 57 23.717 17.028 -11.931 1.00 73.41 H new ATOM 0 HG3 PRO A 57 23.575 18.622 -12.646 1.00 73.41 H new ATOM 0 HD2 PRO A 57 21.404 17.298 -11.668 1.00 0.23 H new ATOM 0 HD3 PRO A 57 21.272 18.393 -13.030 1.00 0.23 H new ATOM 901 N SER A 58 23.455 13.705 -14.873 1.00 0.41 N ATOM 902 CA SER A 58 23.976 12.375 -14.580 1.00 52.13 C ATOM 903 C SER A 58 25.456 12.439 -14.215 1.00 53.22 C ATOM 904 O SER A 58 25.961 11.596 -13.474 1.00 73.12 O ATOM 905 CB SER A 58 23.775 11.450 -15.782 1.00 40.13 C ATOM 906 OG SER A 58 24.103 10.111 -15.455 1.00 61.25 O ATOM 0 H SER A 58 23.335 13.902 -15.867 1.00 0.41 H new ATOM 0 HA SER A 58 23.427 11.976 -13.727 1.00 52.13 H new ATOM 0 HB2 SER A 58 22.739 11.503 -16.116 1.00 40.13 H new ATOM 0 HB3 SER A 58 24.395 11.787 -16.612 1.00 40.13 H new ATOM 0 HG SER A 58 23.282 9.608 -15.274 1.00 61.25 H new ATOM 912 N SER A 59 26.145 13.446 -14.741 1.00 45.33 N ATOM 913 CA SER A 59 27.569 13.620 -14.475 1.00 34.23 C ATOM 914 C SER A 59 27.828 13.754 -12.977 1.00 64.33 C ATOM 915 O SER A 59 28.945 13.532 -12.507 1.00 74.22 O ATOM 916 CB SER A 59 28.100 14.853 -15.208 1.00 72.23 C ATOM 917 OG SER A 59 29.218 14.524 -16.015 1.00 12.03 O ATOM 0 H SER A 59 25.741 14.154 -15.354 1.00 45.33 H new ATOM 0 HA SER A 59 28.093 12.736 -14.840 1.00 34.23 H new ATOM 0 HB2 SER A 59 27.312 15.278 -15.829 1.00 72.23 H new ATOM 0 HB3 SER A 59 28.382 15.617 -14.484 1.00 72.23 H new ATOM 0 HG SER A 59 29.538 15.328 -16.474 1.00 12.03 H new ATOM 923 N TYR A 60 26.790 14.118 -12.234 1.00 11.24 N ATOM 924 CA TYR A 60 26.905 14.285 -10.790 1.00 31.44 C ATOM 925 C TYR A 60 26.107 13.214 -10.053 1.00 34.45 C ATOM 926 O TYR A 60 25.777 13.368 -8.876 1.00 32.33 O ATOM 927 CB TYR A 60 26.419 15.674 -10.375 1.00 10.40 C ATOM 928 CG TYR A 60 27.164 16.803 -11.051 1.00 40.12 C ATOM 929 CD1 TYR A 60 26.989 17.065 -12.404 1.00 64.14 C ATOM 930 CD2 TYR A 60 28.042 17.608 -10.336 1.00 42.42 C ATOM 931 CE1 TYR A 60 27.669 18.094 -13.026 1.00 53.52 C ATOM 932 CE2 TYR A 60 28.725 18.641 -10.949 1.00 53.24 C ATOM 933 CZ TYR A 60 28.535 18.880 -12.295 1.00 30.14 C ATOM 934 OH TYR A 60 29.212 19.907 -12.910 1.00 45.41 O ATOM 0 H TYR A 60 25.859 14.303 -12.607 1.00 11.24 H new ATOM 0 HA TYR A 60 27.956 14.180 -10.521 1.00 31.44 H new ATOM 0 HB2 TYR A 60 25.357 15.762 -10.605 1.00 10.40 H new ATOM 0 HB3 TYR A 60 26.521 15.778 -9.295 1.00 10.40 H new ATOM 0 HD1 TYR A 60 26.310 16.454 -12.979 1.00 64.14 H new ATOM 0 HD2 TYR A 60 28.193 17.423 -9.283 1.00 42.42 H new ATOM 0 HE1 TYR A 60 27.523 18.282 -14.079 1.00 53.52 H new ATOM 0 HE2 TYR A 60 29.403 19.258 -10.378 1.00 53.24 H new ATOM 0 HH TYR A 60 29.780 20.363 -12.254 1.00 45.41 H new ATOM 944 N LEU A 61 25.800 12.127 -10.753 1.00 15.42 N ATOM 945 CA LEU A 61 25.040 11.028 -10.167 1.00 3.35 C ATOM 946 C LEU A 61 25.679 9.685 -10.503 1.00 60.31 C ATOM 947 O LEU A 61 26.031 9.424 -11.654 1.00 22.45 O ATOM 948 CB LEU A 61 23.595 11.058 -10.665 1.00 75.15 C ATOM 949 CG LEU A 61 22.660 12.040 -9.958 1.00 3.10 C ATOM 950 CD1 LEU A 61 21.389 12.246 -10.768 1.00 25.53 C ATOM 951 CD2 LEU A 61 22.329 11.546 -8.557 1.00 55.14 C ATOM 0 H LEU A 61 26.066 11.983 -11.727 1.00 15.42 H new ATOM 0 HA LEU A 61 25.046 11.151 -9.084 1.00 3.35 H new ATOM 0 HB2 LEU A 61 23.604 11.297 -11.728 1.00 75.15 H new ATOM 0 HB3 LEU A 61 23.178 10.056 -10.567 1.00 75.15 H new ATOM 0 HG LEU A 61 23.170 13.000 -9.872 1.00 3.10 H new ATOM 0 HD11 LEU A 61 20.736 12.948 -10.249 1.00 25.53 H new ATOM 0 HD12 LEU A 61 21.644 12.646 -11.750 1.00 25.53 H new ATOM 0 HD13 LEU A 61 20.875 11.292 -10.887 1.00 25.53 H new ATOM 0 HD21 LEU A 61 21.663 12.257 -8.068 1.00 55.14 H new ATOM 0 HD22 LEU A 61 21.839 10.574 -8.620 1.00 55.14 H new ATOM 0 HD23 LEU A 61 23.248 11.453 -7.978 1.00 55.14 H new ATOM 963 N VAL A 62 25.824 8.834 -9.492 1.00 13.11 N ATOM 964 CA VAL A 62 26.417 7.516 -9.681 1.00 33.41 C ATOM 965 C VAL A 62 25.419 6.412 -9.348 1.00 64.43 C ATOM 966 O VAL A 62 24.853 6.382 -8.256 1.00 43.11 O ATOM 967 CB VAL A 62 27.674 7.336 -8.810 1.00 23.22 C ATOM 968 CG1 VAL A 62 28.172 5.900 -8.881 1.00 4.32 C ATOM 969 CG2 VAL A 62 28.763 8.308 -9.239 1.00 15.32 C ATOM 0 H VAL A 62 25.539 9.034 -8.533 1.00 13.11 H new ATOM 0 HA VAL A 62 26.699 7.443 -10.731 1.00 33.41 H new ATOM 0 HB VAL A 62 27.411 7.554 -7.775 1.00 23.22 H new ATOM 0 HG11 VAL A 62 29.061 5.792 -8.259 1.00 4.32 H new ATOM 0 HG12 VAL A 62 27.394 5.227 -8.522 1.00 4.32 H new ATOM 0 HG13 VAL A 62 28.419 5.651 -9.913 1.00 4.32 H new ATOM 0 HG21 VAL A 62 29.644 8.167 -8.613 1.00 15.32 H new ATOM 0 HG22 VAL A 62 29.025 8.124 -10.281 1.00 15.32 H new ATOM 0 HG23 VAL A 62 28.401 9.331 -9.131 1.00 15.32 H new ATOM 979 N GLU A 63 25.210 5.505 -10.298 1.00 12.12 N ATOM 980 CA GLU A 63 24.280 4.399 -10.105 1.00 32.32 C ATOM 981 C GLU A 63 24.699 3.537 -8.917 1.00 75.22 C ATOM 982 O GLU A 63 25.759 2.912 -8.932 1.00 23.11 O ATOM 983 CB GLU A 63 24.203 3.541 -11.370 1.00 3.14 C ATOM 984 CG GLU A 63 23.103 3.966 -12.327 1.00 73.43 C ATOM 985 CD GLU A 63 23.414 3.610 -13.768 1.00 40.52 C ATOM 986 OE1 GLU A 63 24.610 3.571 -14.125 1.00 71.00 O ATOM 987 OE2 GLU A 63 22.461 3.372 -14.539 1.00 33.30 O ATOM 0 H GLU A 63 25.672 5.515 -11.207 1.00 12.12 H new ATOM 0 HA GLU A 63 23.295 4.818 -9.899 1.00 32.32 H new ATOM 0 HB2 GLU A 63 25.161 3.586 -11.888 1.00 3.14 H new ATOM 0 HB3 GLU A 63 24.043 2.501 -11.085 1.00 3.14 H new ATOM 0 HG2 GLU A 63 22.167 3.491 -12.033 1.00 73.43 H new ATOM 0 HG3 GLU A 63 22.953 5.043 -12.247 1.00 73.43 H new ATOM 994 N LYS A 64 23.858 3.509 -7.889 1.00 31.34 N ATOM 995 CA LYS A 64 24.138 2.724 -6.692 1.00 61.01 C ATOM 996 C LYS A 64 23.937 1.236 -6.958 1.00 34.40 C ATOM 997 O LYS A 64 22.807 0.748 -6.986 1.00 72.30 O ATOM 998 CB LYS A 64 23.237 3.174 -5.540 1.00 31.42 C ATOM 999 CG LYS A 64 23.611 2.562 -4.201 1.00 20.12 C ATOM 1000 CD LYS A 64 22.682 1.418 -3.831 1.00 71.23 C ATOM 1001 CE LYS A 64 21.883 1.732 -2.576 1.00 22.35 C ATOM 1002 NZ LYS A 64 21.718 0.532 -1.709 1.00 4.24 N ATOM 0 H LYS A 64 22.976 4.021 -7.860 1.00 31.34 H new ATOM 0 HA LYS A 64 25.180 2.888 -6.416 1.00 61.01 H new ATOM 0 HB2 LYS A 64 23.281 4.260 -5.459 1.00 31.42 H new ATOM 0 HB3 LYS A 64 22.205 2.913 -5.774 1.00 31.42 H new ATOM 0 HG2 LYS A 64 24.638 2.199 -4.240 1.00 20.12 H new ATOM 0 HG3 LYS A 64 23.573 3.328 -3.427 1.00 20.12 H new ATOM 0 HD2 LYS A 64 22.000 1.220 -4.658 1.00 71.23 H new ATOM 0 HD3 LYS A 64 23.265 0.510 -3.675 1.00 71.23 H new ATOM 0 HE2 LYS A 64 22.384 2.520 -2.014 1.00 22.35 H new ATOM 0 HE3 LYS A 64 20.902 2.115 -2.856 1.00 22.35 H new ATOM 0 HZ1 LYS A 64 21.168 0.787 -0.864 1.00 4.24 H new ATOM 0 HZ2 LYS A 64 21.217 -0.211 -2.237 1.00 4.24 H new ATOM 0 HZ3 LYS A 64 22.653 0.181 -1.420 1.00 4.24 H new