USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 26:sc= 0.0719 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 -121:sc= 0.0856 USER MOD Single : A 20 ASN : amide:sc= -0.081 X(o=-0.081,f=-0.012) USER MOD Single : A 23 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.3!) USER MOD Single : A 30 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.067) USER MOD Single : A 33 TYR OH : rot 70:sc= -0.979 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 54:sc= 0.0101 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-0.84) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.9 F(o=-2.5,f=-1.9) USER MOD Single : A 50 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0058) USER MOD Single : A 52 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 103:sc= 3.3 USER MOD Single : A 59 SER OG : rot 180:sc= -1.15! 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 16.739 0.983 -10.024 1.00 54.40 N ATOM 104 CA THR A 9 18.106 1.469 -9.893 1.00 25.01 C ATOM 105 C THR A 9 18.151 2.786 -9.127 1.00 43.32 C ATOM 106 O THR A 9 17.240 3.608 -9.231 1.00 21.41 O ATOM 107 CB THR A 9 18.767 1.666 -11.270 1.00 40.24 C ATOM 108 OG1 THR A 9 18.738 0.439 -12.008 1.00 53.20 O ATOM 109 CG2 THR A 9 20.205 2.138 -11.118 1.00 42.13 C ATOM 0 HA THR A 9 18.659 0.711 -9.338 1.00 25.01 H new ATOM 0 HB THR A 9 18.206 2.428 -11.811 1.00 40.24 H new ATOM 0 HG1 THR A 9 17.985 -0.109 -11.702 1.00 53.20 H new ATOM 0 HG21 THR A 9 20.651 2.270 -12.104 1.00 42.13 H new ATOM 0 HG22 THR A 9 20.222 3.087 -10.582 1.00 42.13 H new ATOM 0 HG23 THR A 9 20.774 1.396 -10.559 1.00 42.13 H new ATOM 117 N VAL A 10 19.218 2.983 -8.358 1.00 73.43 N ATOM 118 CA VAL A 10 19.382 4.202 -7.576 1.00 22.10 C ATOM 119 C VAL A 10 20.674 4.922 -7.946 1.00 52.31 C ATOM 120 O VAL A 10 21.626 4.306 -8.426 1.00 14.14 O ATOM 121 CB VAL A 10 19.389 3.903 -6.065 1.00 71.21 C ATOM 122 CG1 VAL A 10 19.252 5.189 -5.265 1.00 51.43 C ATOM 123 CG2 VAL A 10 18.279 2.925 -5.711 1.00 70.41 C ATOM 0 H VAL A 10 19.981 2.314 -8.260 1.00 73.43 H new ATOM 0 HA VAL A 10 18.532 4.844 -7.808 1.00 22.10 H new ATOM 0 HB VAL A 10 20.343 3.444 -5.808 1.00 71.21 H new ATOM 0 HG11 VAL A 10 19.259 4.957 -4.200 1.00 51.43 H new ATOM 0 HG12 VAL A 10 20.085 5.853 -5.497 1.00 51.43 H new ATOM 0 HG13 VAL A 10 18.314 5.680 -5.523 1.00 51.43 H new ATOM 0 HG21 VAL A 10 18.298 2.725 -4.640 1.00 70.41 H new ATOM 0 HG22 VAL A 10 17.315 3.355 -5.982 1.00 70.41 H new ATOM 0 HG23 VAL A 10 18.427 1.993 -6.257 1.00 70.41 H new ATOM 133 N VAL A 11 20.700 6.232 -7.720 1.00 24.13 N ATOM 134 CA VAL A 11 21.876 7.037 -8.028 1.00 1.33 C ATOM 135 C VAL A 11 22.297 7.877 -6.827 1.00 53.30 C ATOM 136 O VAL A 11 21.458 8.315 -6.039 1.00 21.35 O ATOM 137 CB VAL A 11 21.620 7.969 -9.227 1.00 71.44 C ATOM 138 CG1 VAL A 11 21.397 7.158 -10.495 1.00 62.10 C ATOM 139 CG2 VAL A 11 20.432 8.878 -8.951 1.00 43.31 C ATOM 0 H VAL A 11 19.920 6.758 -7.325 1.00 24.13 H new ATOM 0 HA VAL A 11 22.677 6.343 -8.281 1.00 1.33 H new ATOM 0 HB VAL A 11 22.501 8.594 -9.374 1.00 71.44 H new ATOM 0 HG11 VAL A 11 21.218 7.833 -11.332 1.00 62.10 H new ATOM 0 HG12 VAL A 11 22.280 6.553 -10.700 1.00 62.10 H new ATOM 0 HG13 VAL A 11 20.533 6.506 -10.363 1.00 62.10 H new ATOM 0 HG21 VAL A 11 20.266 9.530 -9.809 1.00 43.31 H new ATOM 0 HG22 VAL A 11 19.543 8.272 -8.778 1.00 43.31 H new ATOM 0 HG23 VAL A 11 20.635 9.485 -8.068 1.00 43.31 H new ATOM 149 N ILE A 12 23.600 8.099 -6.695 1.00 1.13 N ATOM 150 CA ILE A 12 24.132 8.888 -5.591 1.00 11.43 C ATOM 151 C ILE A 12 24.624 10.248 -6.074 1.00 43.22 C ATOM 152 O ILE A 12 25.318 10.345 -7.086 1.00 72.52 O ATOM 153 CB ILE A 12 25.288 8.158 -4.882 1.00 43.34 C ATOM 154 CG1 ILE A 12 25.027 6.651 -4.853 1.00 60.04 C ATOM 155 CG2 ILE A 12 25.470 8.697 -3.471 1.00 54.23 C ATOM 156 CD1 ILE A 12 26.089 5.868 -4.113 1.00 75.11 C ATOM 0 H ILE A 12 24.307 7.744 -7.339 1.00 1.13 H new ATOM 0 HA ILE A 12 23.315 9.030 -4.883 1.00 11.43 H new ATOM 0 HB ILE A 12 26.207 8.338 -5.439 1.00 43.34 H new ATOM 0 HG12 ILE A 12 24.060 6.467 -4.386 1.00 60.04 H new ATOM 0 HG13 ILE A 12 24.962 6.282 -5.877 1.00 60.04 H new ATOM 0 HG21 ILE A 12 26.291 8.171 -2.984 1.00 54.23 H new ATOM 0 HG22 ILE A 12 25.697 9.762 -3.515 1.00 54.23 H new ATOM 0 HG23 ILE A 12 24.553 8.545 -2.902 1.00 54.23 H new ATOM 0 HD11 ILE A 12 25.839 4.807 -4.133 1.00 75.11 H new ATOM 0 HD12 ILE A 12 27.055 6.022 -4.593 1.00 75.11 H new ATOM 0 HD13 ILE A 12 26.139 6.210 -3.079 1.00 75.11 H new ATOM 168 N ALA A 13 24.262 11.297 -5.343 1.00 23.14 N ATOM 169 CA ALA A 13 24.670 12.651 -5.694 1.00 45.33 C ATOM 170 C ALA A 13 26.135 12.892 -5.343 1.00 52.03 C ATOM 171 O ALA A 13 26.563 12.643 -4.215 1.00 55.23 O ATOM 172 CB ALA A 13 23.783 13.669 -4.993 1.00 23.14 C ATOM 0 H ALA A 13 23.686 11.235 -4.503 1.00 23.14 H new ATOM 0 HA ALA A 13 24.558 12.769 -6.772 1.00 45.33 H new ATOM 0 HB1 ALA A 13 24.100 14.676 -5.265 1.00 23.14 H new ATOM 0 HB2 ALA A 13 22.747 13.520 -5.298 1.00 23.14 H new ATOM 0 HB3 ALA A 13 23.866 13.542 -3.914 1.00 23.14 H new ATOM 178 N LEU A 14 26.899 13.376 -6.316 1.00 4.54 N ATOM 179 CA LEU A 14 28.317 13.650 -6.109 1.00 43.44 C ATOM 180 C LEU A 14 28.529 15.073 -5.601 1.00 32.34 C ATOM 181 O LEU A 14 29.455 15.337 -4.833 1.00 54.22 O ATOM 182 CB LEU A 14 29.092 13.442 -7.412 1.00 11.11 C ATOM 183 CG LEU A 14 28.650 12.259 -8.274 1.00 20.33 C ATOM 184 CD1 LEU A 14 29.578 12.091 -9.467 1.00 1.32 C ATOM 185 CD2 LEU A 14 28.607 10.983 -7.446 1.00 22.43 C ATOM 0 H LEU A 14 26.561 13.587 -7.255 1.00 4.54 H new ATOM 0 HA LEU A 14 28.689 12.956 -5.356 1.00 43.44 H new ATOM 0 HB2 LEU A 14 29.011 14.351 -8.008 1.00 11.11 H new ATOM 0 HB3 LEU A 14 30.147 13.314 -7.168 1.00 11.11 H new ATOM 0 HG LEU A 14 27.646 12.461 -8.647 1.00 20.33 H new ATOM 0 HD11 LEU A 14 29.248 11.244 -10.069 1.00 1.32 H new ATOM 0 HD12 LEU A 14 29.559 12.997 -10.073 1.00 1.32 H new ATOM 0 HD13 LEU A 14 30.594 11.912 -9.115 1.00 1.32 H new ATOM 0 HD21 LEU A 14 28.290 10.151 -8.075 1.00 22.43 H new ATOM 0 HD22 LEU A 14 29.599 10.777 -7.044 1.00 22.43 H new ATOM 0 HD23 LEU A 14 27.901 11.106 -6.625 1.00 22.43 H new ATOM 197 N TYR A 15 27.664 15.984 -6.031 1.00 52.14 N ATOM 198 CA TYR A 15 27.756 17.380 -5.620 1.00 32.12 C ATOM 199 C TYR A 15 26.370 18.010 -5.516 1.00 61.23 C ATOM 200 O TYR A 15 25.426 17.572 -6.174 1.00 61.03 O ATOM 201 CB TYR A 15 28.615 18.170 -6.609 1.00 34.41 C ATOM 202 CG TYR A 15 29.911 17.481 -6.969 1.00 64.33 C ATOM 203 CD1 TYR A 15 31.033 17.599 -6.158 1.00 11.01 C ATOM 204 CD2 TYR A 15 30.015 16.710 -8.121 1.00 54.32 C ATOM 205 CE1 TYR A 15 32.220 16.972 -6.484 1.00 32.01 C ATOM 206 CE2 TYR A 15 31.197 16.078 -8.454 1.00 41.43 C ATOM 207 CZ TYR A 15 32.297 16.213 -7.633 1.00 31.32 C ATOM 208 OH TYR A 15 33.477 15.585 -7.960 1.00 40.23 O ATOM 0 H TYR A 15 26.891 15.781 -6.664 1.00 52.14 H new ATOM 0 HA TYR A 15 28.225 17.412 -4.636 1.00 32.12 H new ATOM 0 HB2 TYR A 15 28.040 18.343 -7.519 1.00 34.41 H new ATOM 0 HB3 TYR A 15 28.839 19.148 -6.183 1.00 34.41 H new ATOM 0 HD1 TYR A 15 30.976 18.191 -5.257 1.00 11.01 H new ATOM 0 HD2 TYR A 15 29.156 16.603 -8.767 1.00 54.32 H new ATOM 0 HE1 TYR A 15 33.083 17.076 -5.843 1.00 32.01 H new ATOM 0 HE2 TYR A 15 31.260 15.481 -9.352 1.00 41.43 H new ATOM 0 HH TYR A 15 33.363 15.090 -8.798 1.00 40.23 H new ATOM 218 N ASP A 16 26.257 19.040 -4.686 1.00 13.41 N ATOM 219 CA ASP A 16 24.988 19.733 -4.496 1.00 54.42 C ATOM 220 C ASP A 16 24.567 20.457 -5.772 1.00 25.12 C ATOM 221 O ASP A 16 25.107 21.512 -6.106 1.00 22.04 O ATOM 222 CB ASP A 16 25.094 20.730 -3.341 1.00 42.32 C ATOM 223 CG ASP A 16 26.311 21.627 -3.461 1.00 31.14 C ATOM 224 OD1 ASP A 16 27.428 21.155 -3.162 1.00 61.52 O ATOM 225 OD2 ASP A 16 26.146 22.801 -3.853 1.00 62.44 O ATOM 0 H ASP A 16 27.029 19.414 -4.134 1.00 13.41 H new ATOM 0 HA ASP A 16 24.229 18.989 -4.255 1.00 54.42 H new ATOM 0 HB2 ASP A 16 24.194 21.345 -3.312 1.00 42.32 H new ATOM 0 HB3 ASP A 16 25.139 20.186 -2.398 1.00 42.32 H new ATOM 230 N TYR A 17 23.603 19.882 -6.481 1.00 55.30 N ATOM 231 CA TYR A 17 23.112 20.470 -7.722 1.00 4.30 C ATOM 232 C TYR A 17 21.935 21.403 -7.455 1.00 72.11 C ATOM 233 O TYR A 17 21.153 21.183 -6.530 1.00 42.32 O ATOM 234 CB TYR A 17 22.696 19.372 -8.702 1.00 34.04 C ATOM 235 CG TYR A 17 21.988 19.894 -9.932 1.00 5.22 C ATOM 236 CD1 TYR A 17 22.685 20.582 -10.918 1.00 1.53 C ATOM 237 CD2 TYR A 17 20.624 19.701 -10.108 1.00 61.50 C ATOM 238 CE1 TYR A 17 22.043 21.062 -12.043 1.00 43.21 C ATOM 239 CE2 TYR A 17 19.974 20.175 -11.231 1.00 3.32 C ATOM 240 CZ TYR A 17 20.688 20.856 -12.195 1.00 61.33 C ATOM 241 OH TYR A 17 20.044 21.331 -13.314 1.00 42.55 O ATOM 0 H TYR A 17 23.146 19.009 -6.218 1.00 55.30 H new ATOM 0 HA TYR A 17 23.921 21.053 -8.163 1.00 4.30 H new ATOM 0 HB2 TYR A 17 23.582 18.818 -9.011 1.00 34.04 H new ATOM 0 HB3 TYR A 17 22.042 18.667 -8.189 1.00 34.04 H new ATOM 0 HD1 TYR A 17 23.747 20.744 -10.803 1.00 1.53 H new ATOM 0 HD2 TYR A 17 20.062 19.171 -9.354 1.00 61.50 H new ATOM 0 HE1 TYR A 17 22.599 21.596 -12.799 1.00 43.21 H new ATOM 0 HE2 TYR A 17 18.913 20.013 -11.353 1.00 3.32 H new ATOM 0 HH TYR A 17 19.093 21.101 -13.266 1.00 42.55 H new ATOM 251 N GLN A 18 21.816 22.444 -8.273 1.00 33.21 N ATOM 252 CA GLN A 18 20.734 23.410 -8.126 1.00 11.42 C ATOM 253 C GLN A 18 20.148 23.782 -9.484 1.00 15.03 C ATOM 254 O GLN A 18 20.875 24.145 -10.409 1.00 3.05 O ATOM 255 CB GLN A 18 21.238 24.667 -7.413 1.00 72.24 C ATOM 256 CG GLN A 18 21.237 24.549 -5.898 1.00 30.52 C ATOM 257 CD GLN A 18 21.302 25.896 -5.207 1.00 55.52 C ATOM 258 OE1 GLN A 18 22.313 26.595 -5.278 1.00 0.24 O ATOM 259 NE2 GLN A 18 20.219 26.270 -4.534 1.00 63.34 N ATOM 0 H GLN A 18 22.455 22.640 -9.044 1.00 33.21 H new ATOM 0 HA GLN A 18 19.949 22.950 -7.526 1.00 11.42 H new ATOM 0 HB2 GLN A 18 22.251 24.885 -7.751 1.00 72.24 H new ATOM 0 HB3 GLN A 18 20.616 25.513 -7.704 1.00 72.24 H new ATOM 0 HG2 GLN A 18 20.336 24.025 -5.579 1.00 30.52 H new ATOM 0 HG3 GLN A 18 22.087 23.943 -5.584 1.00 30.52 H new ATOM 0 HE21 GLN A 18 19.403 25.659 -4.501 1.00 63.34 H new ATOM 0 HE22 GLN A 18 20.204 27.168 -4.050 1.00 63.34 H new ATOM 268 N THR A 19 18.826 23.689 -9.598 1.00 22.11 N ATOM 269 CA THR A 19 18.142 24.014 -10.843 1.00 31.41 C ATOM 270 C THR A 19 17.653 25.457 -10.841 1.00 40.52 C ATOM 271 O THR A 19 17.538 26.082 -9.788 1.00 10.32 O ATOM 272 CB THR A 19 16.943 23.078 -11.085 1.00 74.24 C ATOM 273 OG1 THR A 19 16.220 23.499 -12.248 1.00 22.50 O ATOM 274 CG2 THR A 19 16.013 23.066 -9.881 1.00 42.12 C ATOM 0 H THR A 19 18.208 23.391 -8.843 1.00 22.11 H new ATOM 0 HA THR A 19 18.866 23.880 -11.646 1.00 31.41 H new ATOM 0 HB THR A 19 17.324 22.069 -11.239 1.00 74.24 H new ATOM 0 HG1 THR A 19 15.292 23.695 -12.003 1.00 22.50 H new ATOM 0 HG21 THR A 19 15.174 22.398 -10.076 1.00 42.12 H new ATOM 0 HG22 THR A 19 16.558 22.718 -9.004 1.00 42.12 H new ATOM 0 HG23 THR A 19 15.640 24.074 -9.700 1.00 42.12 H new ATOM 282 N ASN A 20 17.366 25.982 -12.028 1.00 70.44 N ATOM 283 CA ASN A 20 16.889 27.353 -12.163 1.00 52.12 C ATOM 284 C ASN A 20 15.365 27.395 -12.229 1.00 42.00 C ATOM 285 O ASN A 20 14.746 28.400 -11.880 1.00 11.20 O ATOM 286 CB ASN A 20 17.483 28.001 -13.416 1.00 34.13 C ATOM 287 CG ASN A 20 16.983 29.417 -13.626 1.00 41.23 C ATOM 288 OD1 ASN A 20 16.497 29.762 -14.703 1.00 40.25 O ATOM 289 ND2 ASN A 20 17.101 30.246 -12.595 1.00 63.51 N ATOM 0 H ASN A 20 17.456 25.478 -12.910 1.00 70.44 H new ATOM 0 HA ASN A 20 17.213 27.912 -11.285 1.00 52.12 H new ATOM 0 HB2 ASN A 20 18.570 28.010 -13.336 1.00 34.13 H new ATOM 0 HB3 ASN A 20 17.232 27.397 -14.288 1.00 34.13 H new ATOM 0 HD21 ASN A 20 16.782 31.211 -12.678 1.00 63.51 H new ATOM 0 HD22 ASN A 20 17.510 29.917 -11.720 1.00 63.51 H new ATOM 296 N ASP A 21 14.768 26.297 -12.678 1.00 74.11 N ATOM 297 CA ASP A 21 13.316 26.207 -12.788 1.00 63.23 C ATOM 298 C ASP A 21 12.782 25.030 -11.978 1.00 71.33 C ATOM 299 O ASP A 21 13.510 24.097 -11.639 1.00 32.41 O ATOM 300 CB ASP A 21 12.903 26.063 -14.254 1.00 14.23 C ATOM 301 CG ASP A 21 12.695 27.404 -14.931 1.00 22.32 C ATOM 302 OD1 ASP A 21 11.725 28.104 -14.574 1.00 3.31 O ATOM 303 OD2 ASP A 21 13.502 27.752 -15.818 1.00 63.11 O ATOM 0 H ASP A 21 15.266 25.457 -12.972 1.00 74.11 H new ATOM 0 HA ASP A 21 12.888 27.125 -12.386 1.00 63.23 H new ATOM 0 HB2 ASP A 21 13.669 25.503 -14.791 1.00 14.23 H new ATOM 0 HB3 ASP A 21 11.983 25.482 -14.314 1.00 14.23 H new ATOM 308 N PRO A 22 11.480 25.073 -11.659 1.00 73.15 N ATOM 309 CA PRO A 22 10.819 24.018 -10.885 1.00 51.21 C ATOM 310 C PRO A 22 10.684 22.719 -11.672 1.00 55.33 C ATOM 311 O PRO A 22 10.439 21.658 -11.098 1.00 43.44 O ATOM 312 CB PRO A 22 9.439 24.609 -10.587 1.00 33.03 C ATOM 313 CG PRO A 22 9.202 25.591 -11.682 1.00 4.24 C ATOM 314 CD PRO A 22 10.552 26.155 -12.031 1.00 21.41 C ATOM 0 HA PRO A 22 11.385 23.751 -9.993 1.00 51.21 H new ATOM 0 HB2 PRO A 22 8.671 23.835 -10.576 1.00 33.03 H new ATOM 0 HB3 PRO A 22 9.418 25.093 -9.610 1.00 33.03 H new ATOM 0 HG2 PRO A 22 8.745 25.109 -12.546 1.00 4.24 H new ATOM 0 HG3 PRO A 22 8.521 26.379 -11.359 1.00 4.24 H new ATOM 0 HD2 PRO A 22 10.624 26.399 -13.091 1.00 21.41 H new ATOM 0 HD3 PRO A 22 10.760 27.071 -11.478 1.00 21.41 H new ATOM 322 N GLN A 23 10.844 22.811 -12.988 1.00 62.15 N ATOM 323 CA GLN A 23 10.739 21.642 -13.854 1.00 24.14 C ATOM 324 C GLN A 23 11.756 20.577 -13.456 1.00 2.24 C ATOM 325 O GLN A 23 11.454 19.385 -13.461 1.00 34.53 O ATOM 326 CB GLN A 23 10.948 22.042 -15.315 1.00 41.31 C ATOM 327 CG GLN A 23 10.257 21.117 -16.304 1.00 2.30 C ATOM 328 CD GLN A 23 8.858 21.581 -16.657 1.00 51.13 C ATOM 329 OE1 GLN A 23 8.505 22.743 -16.450 1.00 24.52 O ATOM 330 NE2 GLN A 23 8.051 20.673 -17.195 1.00 1.54 N ATOM 0 H GLN A 23 11.047 23.682 -13.478 1.00 62.15 H new ATOM 0 HA GLN A 23 9.739 21.225 -13.739 1.00 24.14 H new ATOM 0 HB2 GLN A 23 10.579 23.057 -15.461 1.00 41.31 H new ATOM 0 HB3 GLN A 23 12.017 22.057 -15.530 1.00 41.31 H new ATOM 0 HG2 GLN A 23 10.854 21.052 -17.213 1.00 2.30 H new ATOM 0 HG3 GLN A 23 10.207 20.113 -15.883 1.00 2.30 H new ATOM 0 HE21 GLN A 23 8.385 19.722 -17.349 1.00 1.54 H new ATOM 0 HE22 GLN A 23 7.098 20.927 -17.454 1.00 1.54 H new ATOM 339 N GLU A 24 12.963 21.017 -13.112 1.00 14.24 N ATOM 340 CA GLU A 24 14.024 20.101 -12.712 1.00 61.42 C ATOM 341 C GLU A 24 14.178 20.075 -11.194 1.00 72.31 C ATOM 342 O GLU A 24 13.713 20.977 -10.496 1.00 43.01 O ATOM 343 CB GLU A 24 15.349 20.504 -13.363 1.00 53.31 C ATOM 344 CG GLU A 24 15.206 20.946 -14.810 1.00 62.40 C ATOM 345 CD GLU A 24 16.311 20.405 -15.696 1.00 62.35 C ATOM 346 OE1 GLU A 24 17.445 20.243 -15.200 1.00 5.40 O ATOM 347 OE2 GLU A 24 16.041 20.143 -16.887 1.00 72.43 O ATOM 0 H GLU A 24 13.230 22.002 -13.103 1.00 14.24 H new ATOM 0 HA GLU A 24 13.751 19.101 -13.049 1.00 61.42 H new ATOM 0 HB2 GLU A 24 15.796 21.314 -12.787 1.00 53.31 H new ATOM 0 HB3 GLU A 24 16.039 19.661 -13.316 1.00 53.31 H new ATOM 0 HG2 GLU A 24 14.242 20.614 -15.194 1.00 62.40 H new ATOM 0 HG3 GLU A 24 15.209 22.035 -14.856 1.00 62.40 H new ATOM 354 N LEU A 25 14.832 19.035 -10.690 1.00 21.54 N ATOM 355 CA LEU A 25 15.048 18.889 -9.254 1.00 55.30 C ATOM 356 C LEU A 25 16.495 19.200 -8.886 1.00 70.24 C ATOM 357 O LEU A 25 17.345 19.367 -9.760 1.00 64.00 O ATOM 358 CB LEU A 25 14.688 17.472 -8.805 1.00 63.33 C ATOM 359 CG LEU A 25 13.549 17.357 -7.792 1.00 22.13 C ATOM 360 CD1 LEU A 25 12.299 18.048 -8.313 1.00 41.41 C ATOM 361 CD2 LEU A 25 13.261 15.896 -7.477 1.00 11.34 C ATOM 0 H LEU A 25 15.222 18.280 -11.254 1.00 21.54 H new ATOM 0 HA LEU A 25 14.402 19.601 -8.741 1.00 55.30 H new ATOM 0 HB2 LEU A 25 14.423 16.889 -9.687 1.00 63.33 H new ATOM 0 HB3 LEU A 25 15.578 17.012 -8.375 1.00 63.33 H new ATOM 0 HG LEU A 25 13.856 17.853 -6.871 1.00 22.13 H new ATOM 0 HD11 LEU A 25 11.499 17.956 -7.578 1.00 41.41 H new ATOM 0 HD12 LEU A 25 12.512 19.103 -8.487 1.00 41.41 H new ATOM 0 HD13 LEU A 25 11.988 17.582 -9.248 1.00 41.41 H new ATOM 0 HD21 LEU A 25 12.448 15.833 -6.754 1.00 11.34 H new ATOM 0 HD22 LEU A 25 12.975 15.376 -8.391 1.00 11.34 H new ATOM 0 HD23 LEU A 25 14.154 15.431 -7.059 1.00 11.34 H new ATOM 373 N ALA A 26 16.767 19.273 -7.588 1.00 5.42 N ATOM 374 CA ALA A 26 18.113 19.559 -7.105 1.00 14.35 C ATOM 375 C ALA A 26 18.712 18.347 -6.401 1.00 23.25 C ATOM 376 O ALA A 26 17.992 17.538 -5.813 1.00 64.03 O ATOM 377 CB ALA A 26 18.093 20.759 -6.169 1.00 44.11 C ATOM 0 H ALA A 26 16.074 19.138 -6.852 1.00 5.42 H new ATOM 0 HA ALA A 26 18.740 19.793 -7.966 1.00 14.35 H new ATOM 0 HB1 ALA A 26 19.104 20.962 -5.816 1.00 44.11 H new ATOM 0 HB2 ALA A 26 17.714 21.630 -6.703 1.00 44.11 H new ATOM 0 HB3 ALA A 26 17.447 20.545 -5.317 1.00 44.11 H new ATOM 383 N LEU A 27 20.034 18.226 -6.464 1.00 34.44 N ATOM 384 CA LEU A 27 20.731 17.110 -5.832 1.00 53.42 C ATOM 385 C LEU A 27 21.415 17.555 -4.544 1.00 2.42 C ATOM 386 O LEU A 27 21.618 18.748 -4.317 1.00 44.32 O ATOM 387 CB LEU A 27 21.763 16.519 -6.793 1.00 71.45 C ATOM 388 CG LEU A 27 21.247 16.137 -8.181 1.00 55.33 C ATOM 389 CD1 LEU A 27 22.384 16.129 -9.191 1.00 2.45 C ATOM 390 CD2 LEU A 27 20.558 14.781 -8.140 1.00 62.21 C ATOM 0 H LEU A 27 20.644 18.886 -6.946 1.00 34.44 H new ATOM 0 HA LEU A 27 19.994 16.346 -5.585 1.00 53.42 H new ATOM 0 HB2 LEU A 27 22.572 17.240 -6.914 1.00 71.45 H new ATOM 0 HB3 LEU A 27 22.194 15.631 -6.330 1.00 71.45 H new ATOM 0 HG LEU A 27 20.517 16.884 -8.493 1.00 55.33 H new ATOM 0 HD11 LEU A 27 21.997 15.855 -10.172 1.00 2.45 H new ATOM 0 HD12 LEU A 27 22.832 17.121 -9.242 1.00 2.45 H new ATOM 0 HD13 LEU A 27 23.139 15.405 -8.884 1.00 2.45 H new ATOM 0 HD21 LEU A 27 20.197 14.526 -9.136 1.00 62.21 H new ATOM 0 HD22 LEU A 27 21.266 14.023 -7.805 1.00 62.21 H new ATOM 0 HD23 LEU A 27 19.716 14.821 -7.449 1.00 62.21 H new ATOM 402 N ARG A 28 21.770 16.588 -3.704 1.00 44.51 N ATOM 403 CA ARG A 28 22.433 16.881 -2.439 1.00 24.41 C ATOM 404 C ARG A 28 23.636 15.964 -2.231 1.00 13.41 C ATOM 405 O ARG A 28 23.519 14.742 -2.316 1.00 62.23 O ATOM 406 CB ARG A 28 21.452 16.723 -1.276 1.00 53.42 C ATOM 407 CG ARG A 28 20.593 17.954 -1.034 1.00 34.41 C ATOM 408 CD ARG A 28 21.367 19.039 -0.304 1.00 5.33 C ATOM 409 NE ARG A 28 20.482 20.034 0.297 1.00 64.14 N ATOM 410 CZ ARG A 28 20.916 21.076 0.997 1.00 51.23 C ATOM 411 NH1 ARG A 28 22.216 21.259 1.183 1.00 12.51 N ATOM 412 NH2 ARG A 28 20.048 21.938 1.512 1.00 45.24 N ATOM 0 H ARG A 28 21.610 15.596 -3.877 1.00 44.51 H new ATOM 0 HA ARG A 28 22.784 17.912 -2.472 1.00 24.41 H new ATOM 0 HB2 ARG A 28 20.803 15.870 -1.472 1.00 53.42 H new ATOM 0 HB3 ARG A 28 22.011 16.496 -0.368 1.00 53.42 H new ATOM 0 HG2 ARG A 28 20.233 18.341 -1.987 1.00 34.41 H new ATOM 0 HG3 ARG A 28 19.715 17.677 -0.451 1.00 34.41 H new ATOM 0 HD2 ARG A 28 21.982 18.585 0.473 1.00 5.33 H new ATOM 0 HD3 ARG A 28 22.045 19.531 -1.001 1.00 5.33 H new ATOM 0 HE ARG A 28 19.476 19.922 0.172 1.00 64.14 H new ATOM 0 HH11 ARG A 28 22.886 20.599 0.788 1.00 12.51 H new ATOM 0 HH12 ARG A 28 22.546 22.060 1.721 1.00 12.51 H new ATOM 0 HH21 ARG A 28 19.047 21.800 1.370 1.00 45.24 H new ATOM 0 HH22 ARG A 28 20.382 22.738 2.050 1.00 45.24 H new ATOM 426 N ARG A 29 24.790 16.564 -1.958 1.00 51.21 N ATOM 427 CA ARG A 29 26.014 15.803 -1.740 1.00 32.42 C ATOM 428 C ARG A 29 25.792 14.703 -0.706 1.00 25.34 C ATOM 429 O ARG A 29 25.184 14.932 0.339 1.00 42.53 O ATOM 430 CB ARG A 29 27.141 16.729 -1.281 1.00 44.23 C ATOM 431 CG ARG A 29 28.531 16.204 -1.605 1.00 14.30 C ATOM 432 CD ARG A 29 29.611 17.041 -0.938 1.00 65.15 C ATOM 433 NE ARG A 29 29.784 16.692 0.469 1.00 31.31 N ATOM 434 CZ ARG A 29 30.376 17.484 1.356 1.00 55.32 C ATOM 435 NH1 ARG A 29 30.848 18.665 0.983 1.00 45.34 N ATOM 436 NH2 ARG A 29 30.495 17.096 2.619 1.00 14.11 N ATOM 0 H ARG A 29 24.903 17.575 -1.883 1.00 51.21 H new ATOM 0 HA ARG A 29 26.297 15.339 -2.685 1.00 32.42 H new ATOM 0 HB2 ARG A 29 27.012 17.705 -1.750 1.00 44.23 H new ATOM 0 HB3 ARG A 29 27.060 16.879 -0.204 1.00 44.23 H new ATOM 0 HG2 ARG A 29 28.616 15.168 -1.276 1.00 14.30 H new ATOM 0 HG3 ARG A 29 28.680 16.208 -2.685 1.00 14.30 H new ATOM 0 HD2 ARG A 29 30.555 16.901 -1.465 1.00 65.15 H new ATOM 0 HD3 ARG A 29 29.354 18.097 -1.020 1.00 65.15 H new ATOM 0 HE ARG A 29 29.431 15.790 0.789 1.00 31.31 H new ATOM 0 HH11 ARG A 29 30.757 18.967 0.013 1.00 45.34 H new ATOM 0 HH12 ARG A 29 31.302 19.271 1.666 1.00 45.34 H new ATOM 0 HH21 ARG A 29 30.132 16.188 2.910 1.00 14.11 H new ATOM 0 HH22 ARG A 29 30.950 17.705 3.299 1.00 14.11 H new ATOM 450 N ASN A 30 26.290 13.507 -1.005 1.00 4.31 N ATOM 451 CA ASN A 30 26.146 12.371 -0.102 1.00 2.33 C ATOM 452 C ASN A 30 24.677 11.998 0.073 1.00 41.32 C ATOM 453 O ASN A 30 24.209 11.788 1.191 1.00 22.32 O ATOM 454 CB ASN A 30 26.767 12.693 1.259 1.00 65.20 C ATOM 455 CG ASN A 30 27.046 11.446 2.077 1.00 52.34 C ATOM 456 OD1 ASN A 30 26.558 11.304 3.198 1.00 51.21 O ATOM 457 ND2 ASN A 30 27.834 10.536 1.517 1.00 30.30 N ATOM 0 H ASN A 30 26.797 13.300 -1.866 1.00 4.31 H new ATOM 0 HA ASN A 30 26.669 11.521 -0.541 1.00 2.33 H new ATOM 0 HB2 ASN A 30 27.697 13.242 1.110 1.00 65.20 H new ATOM 0 HB3 ASN A 30 26.096 13.347 1.816 1.00 65.20 H new ATOM 0 HD21 ASN A 30 28.057 9.676 2.019 1.00 30.30 H new ATOM 0 HD22 ASN A 30 28.216 10.696 0.585 1.00 30.30 H new ATOM 464 N GLU A 31 23.956 11.918 -1.041 1.00 41.12 N ATOM 465 CA GLU A 31 22.540 11.571 -1.011 1.00 22.45 C ATOM 466 C GLU A 31 22.200 10.577 -2.117 1.00 72.24 C ATOM 467 O GLU A 31 22.969 10.397 -3.061 1.00 74.40 O ATOM 468 CB GLU A 31 21.680 12.828 -1.157 1.00 25.12 C ATOM 469 CG GLU A 31 20.339 12.734 -0.449 1.00 24.13 C ATOM 470 CD GLU A 31 20.482 12.494 1.042 1.00 42.02 C ATOM 471 OE1 GLU A 31 20.681 13.477 1.785 1.00 3.32 O ATOM 472 OE2 GLU A 31 20.394 11.322 1.464 1.00 3.15 O ATOM 0 H GLU A 31 24.329 12.089 -1.975 1.00 41.12 H new ATOM 0 HA GLU A 31 22.327 11.105 -0.049 1.00 22.45 H new ATOM 0 HB2 GLU A 31 22.230 13.682 -0.763 1.00 25.12 H new ATOM 0 HB3 GLU A 31 21.509 13.020 -2.216 1.00 25.12 H new ATOM 0 HG2 GLU A 31 19.780 13.656 -0.613 1.00 24.13 H new ATOM 0 HG3 GLU A 31 19.756 11.925 -0.889 1.00 24.13 H new ATOM 479 N GLU A 32 21.042 9.935 -1.993 1.00 25.32 N ATOM 480 CA GLU A 32 20.601 8.958 -2.982 1.00 2.23 C ATOM 481 C GLU A 32 19.310 9.413 -3.657 1.00 23.22 C ATOM 482 O GLU A 32 18.566 10.229 -3.112 1.00 64.04 O ATOM 483 CB GLU A 32 20.392 7.592 -2.324 1.00 42.44 C ATOM 484 CG GLU A 32 21.630 6.712 -2.343 1.00 64.13 C ATOM 485 CD GLU A 32 21.664 5.728 -1.190 1.00 60.43 C ATOM 486 OE1 GLU A 32 20.973 4.691 -1.276 1.00 21.30 O ATOM 487 OE2 GLU A 32 22.380 5.994 -0.203 1.00 24.11 O ATOM 0 H GLU A 32 20.393 10.074 -1.218 1.00 25.32 H new ATOM 0 HA GLU A 32 21.377 8.872 -3.742 1.00 2.23 H new ATOM 0 HB2 GLU A 32 20.078 7.740 -1.291 1.00 42.44 H new ATOM 0 HB3 GLU A 32 19.580 7.073 -2.833 1.00 42.44 H new ATOM 0 HG2 GLU A 32 21.667 6.164 -3.285 1.00 64.13 H new ATOM 0 HG3 GLU A 32 22.519 7.341 -2.305 1.00 64.13 H new ATOM 494 N TYR A 33 19.052 8.879 -4.845 1.00 51.35 N ATOM 495 CA TYR A 33 17.853 9.232 -5.597 1.00 63.31 C ATOM 496 C TYR A 33 17.361 8.048 -6.424 1.00 61.21 C ATOM 497 O TYR A 33 18.123 7.446 -7.182 1.00 0.02 O ATOM 498 CB TYR A 33 18.132 10.426 -6.511 1.00 72.03 C ATOM 499 CG TYR A 33 18.464 11.697 -5.763 1.00 23.12 C ATOM 500 CD1 TYR A 33 17.459 12.540 -5.306 1.00 10.24 C ATOM 501 CD2 TYR A 33 19.783 12.055 -5.514 1.00 3.14 C ATOM 502 CE1 TYR A 33 17.758 13.703 -4.622 1.00 32.21 C ATOM 503 CE2 TYR A 33 20.091 13.215 -4.829 1.00 64.04 C ATOM 504 CZ TYR A 33 19.075 14.036 -4.386 1.00 24.42 C ATOM 505 OH TYR A 33 19.378 15.193 -3.705 1.00 63.52 O ATOM 0 H TYR A 33 19.656 8.200 -5.308 1.00 51.35 H new ATOM 0 HA TYR A 33 17.074 9.503 -4.884 1.00 63.31 H new ATOM 0 HB2 TYR A 33 18.960 10.179 -7.175 1.00 72.03 H new ATOM 0 HB3 TYR A 33 17.260 10.602 -7.141 1.00 72.03 H new ATOM 0 HD1 TYR A 33 16.426 12.282 -5.488 1.00 10.24 H new ATOM 0 HD2 TYR A 33 20.581 11.416 -5.862 1.00 3.14 H new ATOM 0 HE1 TYR A 33 16.964 14.348 -4.274 1.00 32.21 H new ATOM 0 HE2 TYR A 33 21.122 13.477 -4.642 1.00 64.04 H new ATOM 0 HH TYR A 33 19.117 15.098 -2.765 1.00 63.52 H new ATOM 515 N CYS A 34 16.083 7.720 -6.273 1.00 12.10 N ATOM 516 CA CYS A 34 15.487 6.608 -7.005 1.00 52.11 C ATOM 517 C CYS A 34 15.404 6.921 -8.496 1.00 33.24 C ATOM 518 O CYS A 34 14.561 7.707 -8.930 1.00 11.10 O ATOM 519 CB CYS A 34 14.093 6.299 -6.458 1.00 34.10 C ATOM 520 SG CYS A 34 13.886 4.597 -5.883 1.00 52.13 S ATOM 0 H CYS A 34 15.439 8.208 -5.650 1.00 12.10 H new ATOM 0 HA CYS A 34 16.124 5.734 -6.871 1.00 52.11 H new ATOM 0 HB2 CYS A 34 13.879 6.978 -5.633 1.00 34.10 H new ATOM 0 HB3 CYS A 34 13.356 6.501 -7.236 1.00 34.10 H new ATOM 0 HG CYS A 34 12.676 4.434 -5.437 1.00 52.13 H new ATOM 526 N LEU A 35 16.284 6.302 -9.274 1.00 70.24 N ATOM 527 CA LEU A 35 16.312 6.515 -10.717 1.00 72.14 C ATOM 528 C LEU A 35 15.000 6.073 -11.358 1.00 41.24 C ATOM 529 O LEU A 35 14.489 4.991 -11.069 1.00 34.23 O ATOM 530 CB LEU A 35 17.481 5.752 -11.343 1.00 33.00 C ATOM 531 CG LEU A 35 18.093 6.374 -12.599 1.00 35.50 C ATOM 532 CD1 LEU A 35 17.070 6.419 -13.724 1.00 44.12 C ATOM 533 CD2 LEU A 35 18.622 7.769 -12.300 1.00 71.40 C ATOM 0 H LEU A 35 16.988 5.649 -8.930 1.00 70.24 H new ATOM 0 HA LEU A 35 16.443 7.582 -10.899 1.00 72.14 H new ATOM 0 HB2 LEU A 35 18.265 5.650 -10.593 1.00 33.00 H new ATOM 0 HB3 LEU A 35 17.142 4.746 -11.588 1.00 33.00 H new ATOM 0 HG LEU A 35 18.929 5.752 -12.920 1.00 35.50 H new ATOM 0 HD11 LEU A 35 17.523 6.865 -14.610 1.00 44.12 H new ATOM 0 HD12 LEU A 35 16.739 5.407 -13.956 1.00 44.12 H new ATOM 0 HD13 LEU A 35 16.214 7.018 -13.414 1.00 44.12 H new ATOM 0 HD21 LEU A 35 19.054 8.196 -13.205 1.00 71.40 H new ATOM 0 HD22 LEU A 35 17.805 8.402 -11.954 1.00 71.40 H new ATOM 0 HD23 LEU A 35 19.387 7.710 -11.526 1.00 71.40 H new ATOM 545 N LEU A 36 14.461 6.916 -12.232 1.00 43.51 N ATOM 546 CA LEU A 36 13.210 6.612 -12.917 1.00 53.40 C ATOM 547 C LEU A 36 13.412 6.572 -14.428 1.00 53.54 C ATOM 548 O LEU A 36 12.994 5.626 -15.096 1.00 22.13 O ATOM 549 CB LEU A 36 12.145 7.651 -12.561 1.00 10.44 C ATOM 550 CG LEU A 36 11.971 7.950 -11.071 1.00 74.11 C ATOM 551 CD1 LEU A 36 11.863 9.449 -10.836 1.00 73.42 C ATOM 552 CD2 LEU A 36 10.745 7.233 -10.523 1.00 63.23 C ATOM 0 H LEU A 36 14.871 7.816 -12.483 1.00 43.51 H new ATOM 0 HA LEU A 36 12.874 5.629 -12.588 1.00 53.40 H new ATOM 0 HB2 LEU A 36 12.389 8.582 -13.072 1.00 10.44 H new ATOM 0 HB3 LEU A 36 11.188 7.312 -12.957 1.00 10.44 H new ATOM 0 HG LEU A 36 12.850 7.582 -10.541 1.00 74.11 H new ATOM 0 HD11 LEU A 36 11.740 9.642 -9.770 1.00 73.42 H new ATOM 0 HD12 LEU A 36 12.769 9.939 -11.191 1.00 73.42 H new ATOM 0 HD13 LEU A 36 11.002 9.841 -11.378 1.00 73.42 H new ATOM 0 HD21 LEU A 36 10.637 7.457 -9.462 1.00 63.23 H new ATOM 0 HD22 LEU A 36 9.857 7.570 -11.058 1.00 63.23 H new ATOM 0 HD23 LEU A 36 10.862 6.158 -10.657 1.00 63.23 H new ATOM 564 N ASP A 37 14.056 7.605 -14.961 1.00 60.22 N ATOM 565 CA ASP A 37 14.317 7.686 -16.394 1.00 12.43 C ATOM 566 C ASP A 37 15.759 8.107 -16.660 1.00 72.24 C ATOM 567 O ASP A 37 16.193 9.177 -16.234 1.00 30.32 O ATOM 568 CB ASP A 37 13.354 8.675 -17.054 1.00 21.15 C ATOM 569 CG ASP A 37 12.630 8.072 -18.241 1.00 51.44 C ATOM 570 OD1 ASP A 37 13.308 7.684 -19.216 1.00 2.51 O ATOM 571 OD2 ASP A 37 11.385 7.988 -18.196 1.00 70.02 O ATOM 0 H ASP A 37 14.407 8.397 -14.423 1.00 60.22 H new ATOM 0 HA ASP A 37 14.161 6.697 -16.824 1.00 12.43 H new ATOM 0 HB2 ASP A 37 12.623 9.012 -16.319 1.00 21.15 H new ATOM 0 HB3 ASP A 37 13.908 9.556 -17.379 1.00 21.15 H new ATOM 576 N SER A 38 16.497 7.257 -17.368 1.00 35.24 N ATOM 577 CA SER A 38 17.891 7.538 -17.687 1.00 23.30 C ATOM 578 C SER A 38 18.161 7.329 -19.174 1.00 72.01 C ATOM 579 O SER A 38 18.525 6.234 -19.602 1.00 42.05 O ATOM 580 CB SER A 38 18.816 6.643 -16.859 1.00 42.50 C ATOM 581 OG SER A 38 18.301 5.327 -16.764 1.00 24.31 O ATOM 0 H SER A 38 16.152 6.368 -17.731 1.00 35.24 H new ATOM 0 HA SER A 38 18.091 8.581 -17.442 1.00 23.30 H new ATOM 0 HB2 SER A 38 19.806 6.617 -17.315 1.00 42.50 H new ATOM 0 HB3 SER A 38 18.935 7.063 -15.860 1.00 42.50 H new ATOM 0 HG SER A 38 18.120 4.981 -17.663 1.00 24.31 H new ATOM 587 N SER A 39 17.979 8.388 -19.956 1.00 74.04 N ATOM 588 CA SER A 39 18.198 8.321 -21.397 1.00 11.35 C ATOM 589 C SER A 39 19.583 8.847 -21.760 1.00 24.41 C ATOM 590 O SER A 39 20.321 8.212 -22.513 1.00 51.03 O ATOM 591 CB SER A 39 17.126 9.125 -22.135 1.00 35.22 C ATOM 592 OG SER A 39 17.041 8.734 -23.494 1.00 72.32 O ATOM 0 H SER A 39 17.681 9.302 -19.617 1.00 74.04 H new ATOM 0 HA SER A 39 18.133 7.276 -21.702 1.00 11.35 H new ATOM 0 HB2 SER A 39 16.160 8.980 -21.651 1.00 35.22 H new ATOM 0 HB3 SER A 39 17.357 10.188 -22.073 1.00 35.22 H new ATOM 0 HG SER A 39 16.348 9.261 -23.943 1.00 72.32 H new ATOM 598 N GLU A 40 19.929 10.010 -21.218 1.00 41.32 N ATOM 599 CA GLU A 40 21.226 10.622 -21.486 1.00 75.30 C ATOM 600 C GLU A 40 21.604 11.601 -20.379 1.00 3.22 C ATOM 601 O GLU A 40 20.748 12.059 -19.621 1.00 62.12 O ATOM 602 CB GLU A 40 21.205 11.343 -22.835 1.00 41.22 C ATOM 603 CG GLU A 40 22.391 11.006 -23.724 1.00 11.44 C ATOM 604 CD GLU A 40 21.982 10.285 -24.993 1.00 43.55 C ATOM 605 OE1 GLU A 40 20.969 10.685 -25.603 1.00 75.12 O ATOM 606 OE2 GLU A 40 22.677 9.322 -25.378 1.00 25.45 O ATOM 0 H GLU A 40 19.330 10.547 -20.591 1.00 41.32 H new ATOM 0 HA GLU A 40 21.974 9.830 -21.517 1.00 75.30 H new ATOM 0 HB2 GLU A 40 20.284 11.088 -23.360 1.00 41.22 H new ATOM 0 HB3 GLU A 40 21.185 12.419 -22.662 1.00 41.22 H new ATOM 0 HG2 GLU A 40 22.917 11.924 -23.986 1.00 11.44 H new ATOM 0 HG3 GLU A 40 23.093 10.385 -23.167 1.00 11.44 H new ATOM 613 N ILE A 41 22.892 11.917 -20.292 1.00 11.23 N ATOM 614 CA ILE A 41 23.384 12.842 -19.278 1.00 40.12 C ATOM 615 C ILE A 41 22.653 14.178 -19.352 1.00 42.42 C ATOM 616 O ILE A 41 22.658 14.955 -18.396 1.00 63.14 O ATOM 617 CB ILE A 41 24.897 13.088 -19.428 1.00 10.21 C ATOM 618 CG1 ILE A 41 25.390 14.045 -18.341 1.00 1.23 C ATOM 619 CG2 ILE A 41 25.209 13.642 -20.810 1.00 64.20 C ATOM 620 CD1 ILE A 41 26.893 14.219 -18.325 1.00 33.24 C ATOM 0 H ILE A 41 23.613 11.546 -20.911 1.00 11.23 H new ATOM 0 HA ILE A 41 23.194 12.380 -18.309 1.00 40.12 H new ATOM 0 HB ILE A 41 25.418 12.138 -19.313 1.00 10.21 H new ATOM 0 HG12 ILE A 41 24.921 15.018 -18.485 1.00 1.23 H new ATOM 0 HG13 ILE A 41 25.065 13.676 -17.368 1.00 1.23 H new ATOM 0 HG21 ILE A 41 26.282 13.811 -20.901 1.00 64.20 H new ATOM 0 HG22 ILE A 41 24.888 12.928 -21.569 1.00 64.20 H new ATOM 0 HG23 ILE A 41 24.680 14.585 -20.952 1.00 64.20 H new ATOM 0 HD11 ILE A 41 27.171 14.910 -17.530 1.00 33.24 H new ATOM 0 HD12 ILE A 41 27.369 13.254 -18.150 1.00 33.24 H new ATOM 0 HD13 ILE A 41 27.223 14.618 -19.284 1.00 33.24 H new ATOM 632 N HIS A 42 22.023 14.440 -20.493 1.00 65.03 N ATOM 633 CA HIS A 42 21.285 15.682 -20.692 1.00 1.14 C ATOM 634 C HIS A 42 20.264 15.891 -19.577 1.00 43.32 C ATOM 635 O HIS A 42 20.167 16.978 -19.007 1.00 45.13 O ATOM 636 CB HIS A 42 20.581 15.670 -22.049 1.00 12.34 C ATOM 637 CG HIS A 42 21.514 15.827 -23.209 1.00 63.54 C ATOM 638 ND1 HIS A 42 22.738 15.196 -23.281 1.00 23.40 N ATOM 639 CD2 HIS A 42 21.396 16.546 -24.350 1.00 3.23 C ATOM 640 CE1 HIS A 42 23.334 15.522 -24.414 1.00 74.23 C ATOM 641 NE2 HIS A 42 22.540 16.340 -25.081 1.00 51.14 N ATOM 0 H HIS A 42 22.009 13.808 -21.294 1.00 65.03 H new ATOM 0 HA HIS A 42 21.997 16.507 -20.668 1.00 1.14 H new ATOM 0 HB2 HIS A 42 20.034 14.733 -22.157 1.00 12.34 H new ATOM 0 HB3 HIS A 42 19.845 16.473 -22.074 1.00 12.34 H new ATOM 0 HD2 HIS A 42 20.558 17.166 -24.633 1.00 3.23 H new ATOM 0 HE1 HIS A 42 24.305 15.178 -24.739 1.00 74.23 H new ATOM 0 HE2 HIS A 42 22.744 16.752 -25.992 1.00 51.14 H new ATOM 649 N TRP A 43 19.506 14.845 -19.273 1.00 35.32 N ATOM 650 CA TRP A 43 18.491 14.915 -18.227 1.00 23.50 C ATOM 651 C TRP A 43 18.192 13.529 -17.665 1.00 43.03 C ATOM 652 O TRP A 43 17.910 12.594 -18.414 1.00 62.41 O ATOM 653 CB TRP A 43 17.209 15.545 -18.773 1.00 30.22 C ATOM 654 CG TRP A 43 16.590 14.760 -19.889 1.00 73.51 C ATOM 655 CD1 TRP A 43 16.775 14.953 -21.228 1.00 64.43 C ATOM 656 CD2 TRP A 43 15.684 13.658 -19.762 1.00 54.33 C ATOM 657 NE1 TRP A 43 16.039 14.038 -21.942 1.00 22.43 N ATOM 658 CE2 TRP A 43 15.361 13.232 -21.066 1.00 23.24 C ATOM 659 CE3 TRP A 43 15.115 12.990 -18.675 1.00 73.20 C ATOM 660 CZ2 TRP A 43 14.495 12.169 -21.308 1.00 23.22 C ATOM 661 CZ3 TRP A 43 14.255 11.935 -18.917 1.00 42.21 C ATOM 662 CH2 TRP A 43 13.953 11.532 -20.225 1.00 13.43 C ATOM 0 H TRP A 43 19.574 13.938 -19.735 1.00 35.32 H new ATOM 0 HA TRP A 43 18.878 15.538 -17.421 1.00 23.50 H new ATOM 0 HB2 TRP A 43 16.487 15.642 -17.962 1.00 30.22 H new ATOM 0 HB3 TRP A 43 17.430 16.552 -19.126 1.00 30.22 H new ATOM 0 HD1 TRP A 43 17.407 15.713 -21.662 1.00 64.43 H new ATOM 0 HE1 TRP A 43 16.003 13.970 -22.959 1.00 22.43 H new ATOM 0 HE3 TRP A 43 15.343 13.292 -17.664 1.00 73.20 H new ATOM 0 HZ2 TRP A 43 14.259 11.858 -22.315 1.00 23.22 H new ATOM 0 HZ3 TRP A 43 13.808 11.412 -18.084 1.00 42.21 H new ATOM 0 HH2 TRP A 43 13.279 10.702 -20.381 1.00 13.43 H new ATOM 673 N TRP A 44 18.256 13.405 -16.345 1.00 34.34 N ATOM 674 CA TRP A 44 17.991 12.132 -15.683 1.00 70.24 C ATOM 675 C TRP A 44 16.859 12.269 -14.671 1.00 51.24 C ATOM 676 O TRP A 44 16.972 13.013 -13.697 1.00 23.32 O ATOM 677 CB TRP A 44 19.254 11.623 -14.988 1.00 25.41 C ATOM 678 CG TRP A 44 20.050 10.669 -15.826 1.00 64.50 C ATOM 679 CD1 TRP A 44 20.119 10.636 -17.190 1.00 12.04 C ATOM 680 CD2 TRP A 44 20.889 9.608 -15.355 1.00 2.21 C ATOM 681 NE1 TRP A 44 20.950 9.619 -17.595 1.00 14.24 N ATOM 682 CE2 TRP A 44 21.436 8.974 -16.488 1.00 55.31 C ATOM 683 CE3 TRP A 44 21.234 9.134 -14.086 1.00 73.14 C ATOM 684 CZ2 TRP A 44 22.305 7.892 -16.388 1.00 60.41 C ATOM 685 CZ3 TRP A 44 22.097 8.059 -13.989 1.00 34.11 C ATOM 686 CH2 TRP A 44 22.625 7.448 -15.134 1.00 20.12 C ATOM 0 H TRP A 44 18.489 14.170 -15.711 1.00 34.34 H new ATOM 0 HA TRP A 44 17.688 11.412 -16.443 1.00 70.24 H new ATOM 0 HB2 TRP A 44 19.882 12.474 -14.723 1.00 25.41 H new ATOM 0 HB3 TRP A 44 18.974 11.131 -14.057 1.00 25.41 H new ATOM 0 HD1 TRP A 44 19.597 11.310 -17.853 1.00 12.04 H new ATOM 0 HE1 TRP A 44 21.169 9.383 -18.563 1.00 14.24 H new ATOM 0 HE3 TRP A 44 20.833 9.599 -13.198 1.00 73.14 H new ATOM 0 HZ2 TRP A 44 22.713 7.419 -17.269 1.00 60.41 H new ATOM 0 HZ3 TRP A 44 22.369 7.683 -13.014 1.00 34.11 H new ATOM 0 HH2 TRP A 44 23.298 6.610 -15.025 1.00 20.12 H new ATOM 697 N ARG A 45 15.768 11.548 -14.909 1.00 21.04 N ATOM 698 CA ARG A 45 14.615 11.591 -14.017 1.00 61.14 C ATOM 699 C ARG A 45 14.844 10.714 -12.789 1.00 41.55 C ATOM 700 O ARG A 45 15.052 9.507 -12.906 1.00 31.42 O ATOM 701 CB ARG A 45 13.356 11.134 -14.756 1.00 33.32 C ATOM 702 CG ARG A 45 12.240 12.166 -14.753 1.00 33.50 C ATOM 703 CD ARG A 45 10.872 11.507 -14.839 1.00 32.20 C ATOM 704 NE ARG A 45 10.260 11.684 -16.153 1.00 44.44 N ATOM 705 CZ ARG A 45 9.203 10.997 -16.571 1.00 63.01 C ATOM 706 NH1 ARG A 45 8.643 10.091 -15.782 1.00 1.25 N ATOM 707 NH2 ARG A 45 8.704 11.215 -17.781 1.00 42.50 N ATOM 0 H ARG A 45 15.658 10.928 -15.711 1.00 21.04 H new ATOM 0 HA ARG A 45 14.481 12.621 -13.686 1.00 61.14 H new ATOM 0 HB2 ARG A 45 13.616 10.896 -15.787 1.00 33.32 H new ATOM 0 HB3 ARG A 45 12.990 10.214 -14.299 1.00 33.32 H new ATOM 0 HG2 ARG A 45 12.300 12.766 -13.845 1.00 33.50 H new ATOM 0 HG3 ARG A 45 12.371 12.847 -15.594 1.00 33.50 H new ATOM 0 HD2 ARG A 45 10.968 10.443 -14.625 1.00 32.20 H new ATOM 0 HD3 ARG A 45 10.218 11.928 -14.075 1.00 32.20 H new ATOM 0 HE ARG A 45 10.667 12.374 -16.785 1.00 44.44 H new ATOM 0 HH11 ARG A 45 9.024 9.920 -14.851 1.00 1.25 H new ATOM 0 HH12 ARG A 45 7.831 9.565 -16.106 1.00 1.25 H new ATOM 0 HH21 ARG A 45 9.132 11.911 -18.391 1.00 42.50 H new ATOM 0 HH22 ARG A 45 7.892 10.687 -18.101 1.00 42.50 H new ATOM 721 N VAL A 46 14.805 11.332 -11.613 1.00 22.53 N ATOM 722 CA VAL A 46 15.008 10.608 -10.363 1.00 52.21 C ATOM 723 C VAL A 46 14.015 11.061 -9.299 1.00 10.44 C ATOM 724 O VAL A 46 13.319 12.061 -9.472 1.00 13.23 O ATOM 725 CB VAL A 46 16.440 10.801 -9.829 1.00 73.51 C ATOM 726 CG1 VAL A 46 17.461 10.389 -10.879 1.00 31.04 C ATOM 727 CG2 VAL A 46 16.658 12.243 -9.398 1.00 33.11 C ATOM 0 H VAL A 46 14.635 12.331 -11.499 1.00 22.53 H new ATOM 0 HA VAL A 46 14.848 9.552 -10.579 1.00 52.21 H new ATOM 0 HB VAL A 46 16.573 10.162 -8.956 1.00 73.51 H new ATOM 0 HG11 VAL A 46 18.467 10.532 -10.484 1.00 31.04 H new ATOM 0 HG12 VAL A 46 17.317 9.339 -11.134 1.00 31.04 H new ATOM 0 HG13 VAL A 46 17.331 11.000 -11.772 1.00 31.04 H new ATOM 0 HG21 VAL A 46 17.675 12.361 -9.023 1.00 33.11 H new ATOM 0 HG22 VAL A 46 16.506 12.905 -10.251 1.00 33.11 H new ATOM 0 HG23 VAL A 46 15.949 12.498 -8.610 1.00 33.11 H new ATOM 737 N GLN A 47 13.956 10.319 -8.198 1.00 4.13 N ATOM 738 CA GLN A 47 13.048 10.645 -7.105 1.00 1.24 C ATOM 739 C GLN A 47 13.800 10.739 -5.781 1.00 44.44 C ATOM 740 O GLN A 47 14.794 10.043 -5.570 1.00 14.42 O ATOM 741 CB GLN A 47 11.942 9.594 -7.002 1.00 74.11 C ATOM 742 CG GLN A 47 11.059 9.757 -5.775 1.00 42.01 C ATOM 743 CD GLN A 47 9.674 9.173 -5.971 1.00 11.13 C ATOM 744 OE1 GLN A 47 8.664 9.856 -5.444 1.00 21.21 O flip ATOM 745 NE2 GLN A 47 9.513 8.120 -6.588 1.00 72.25 N flip ATOM 0 H GLN A 47 14.526 9.488 -8.039 1.00 4.13 H new ATOM 0 HA GLN A 47 12.599 11.616 -7.317 1.00 1.24 H new ATOM 0 HB2 GLN A 47 11.320 9.644 -7.896 1.00 74.11 H new ATOM 0 HB3 GLN A 47 12.395 8.603 -6.984 1.00 74.11 H new ATOM 0 HG2 GLN A 47 11.536 9.274 -4.922 1.00 42.01 H new ATOM 0 HG3 GLN A 47 10.972 10.816 -5.533 1.00 42.01 H new ATOM 0 HE21 GLN A 47 10.318 7.628 -6.976 1.00 72.25 H new ATOM 0 HE22 GLN A 47 8.575 7.739 -6.711 1.00 72.25 H new ATOM 754 N ASP A 48 13.321 11.604 -4.894 1.00 40.44 N ATOM 755 CA ASP A 48 13.948 11.789 -3.591 1.00 10.42 C ATOM 756 C ASP A 48 13.418 10.774 -2.584 1.00 34.23 C ATOM 757 O ASP A 48 12.616 9.905 -2.927 1.00 53.01 O ATOM 758 CB ASP A 48 13.702 13.210 -3.080 1.00 35.34 C ATOM 759 CG ASP A 48 14.107 14.267 -4.088 1.00 24.41 C ATOM 760 OD1 ASP A 48 14.816 13.922 -5.057 1.00 72.50 O ATOM 761 OD2 ASP A 48 13.716 15.439 -3.908 1.00 70.44 O ATOM 0 H ASP A 48 12.500 12.188 -5.054 1.00 40.44 H new ATOM 0 HA ASP A 48 15.021 11.633 -3.706 1.00 10.42 H new ATOM 0 HB2 ASP A 48 12.646 13.328 -2.839 1.00 35.34 H new ATOM 0 HB3 ASP A 48 14.259 13.362 -2.155 1.00 35.34 H new ATOM 766 N ARG A 49 13.872 10.889 -1.340 1.00 35.10 N ATOM 767 CA ARG A 49 13.444 9.979 -0.284 1.00 5.34 C ATOM 768 C ARG A 49 12.245 10.546 0.470 1.00 54.13 C ATOM 769 O ARG A 49 11.913 10.088 1.562 1.00 14.52 O ATOM 770 CB ARG A 49 14.595 9.719 0.690 1.00 20.14 C ATOM 771 CG ARG A 49 15.033 10.954 1.460 1.00 13.23 C ATOM 772 CD ARG A 49 16.489 10.857 1.888 1.00 34.05 C ATOM 773 NE ARG A 49 16.641 10.137 3.150 1.00 62.11 N ATOM 774 CZ ARG A 49 16.452 10.693 4.341 1.00 13.22 C ATOM 775 NH1 ARG A 49 16.104 11.969 4.433 1.00 51.31 N ATOM 776 NH2 ARG A 49 16.610 9.972 5.444 1.00 13.40 N ATOM 0 H ARG A 49 14.536 11.603 -1.039 1.00 35.10 H new ATOM 0 HA ARG A 49 13.148 9.038 -0.747 1.00 5.34 H new ATOM 0 HB2 ARG A 49 14.293 8.948 1.399 1.00 20.14 H new ATOM 0 HB3 ARG A 49 15.447 9.326 0.135 1.00 20.14 H new ATOM 0 HG2 ARG A 49 14.893 11.839 0.840 1.00 13.23 H new ATOM 0 HG3 ARG A 49 14.402 11.078 2.340 1.00 13.23 H new ATOM 0 HD2 ARG A 49 17.063 10.352 1.111 1.00 34.05 H new ATOM 0 HD3 ARG A 49 16.905 11.859 1.990 1.00 34.05 H new ATOM 0 HE ARG A 49 16.907 9.153 3.114 1.00 62.11 H new ATOM 0 HH11 ARG A 49 15.981 12.526 3.588 1.00 51.31 H new ATOM 0 HH12 ARG A 49 15.959 12.393 5.349 1.00 51.31 H new ATOM 0 HH21 ARG A 49 16.877 8.990 5.377 1.00 13.40 H new ATOM 0 HH22 ARG A 49 16.465 10.400 6.358 1.00 13.40 H new ATOM 790 N ASN A 50 11.599 11.545 -0.123 1.00 12.44 N ATOM 791 CA ASN A 50 10.436 12.176 0.493 1.00 65.41 C ATOM 792 C ASN A 50 9.193 11.985 -0.370 1.00 62.44 C ATOM 793 O ASN A 50 8.069 11.993 0.130 1.00 5.54 O ATOM 794 CB ASN A 50 10.695 13.668 0.711 1.00 22.21 C ATOM 795 CG ASN A 50 12.038 13.932 1.364 1.00 43.45 C ATOM 796 OD1 ASN A 50 12.127 14.108 2.579 1.00 72.31 O ATOM 797 ND2 ASN A 50 13.092 13.963 0.556 1.00 23.43 N ATOM 0 H ASN A 50 11.860 11.935 -1.028 1.00 12.44 H new ATOM 0 HA ASN A 50 10.263 11.699 1.458 1.00 65.41 H new ATOM 0 HB2 ASN A 50 10.652 14.185 -0.247 1.00 22.21 H new ATOM 0 HB3 ASN A 50 9.903 14.084 1.334 1.00 22.21 H new ATOM 0 HD21 ASN A 50 14.022 14.138 0.937 1.00 23.43 H new ATOM 0 HD22 ASN A 50 12.971 13.812 -0.445 1.00 23.43 H new ATOM 804 N GLY A 51 9.404 11.811 -1.672 1.00 13.12 N ATOM 805 CA GLY A 51 8.291 11.620 -2.584 1.00 65.32 C ATOM 806 C GLY A 51 8.247 12.673 -3.673 1.00 63.14 C ATOM 807 O GLY A 51 7.175 13.017 -4.171 1.00 72.14 O ATOM 0 H GLY A 51 10.325 11.799 -2.111 1.00 13.12 H new ATOM 0 HA2 GLY A 51 8.364 10.633 -3.040 1.00 65.32 H new ATOM 0 HA3 GLY A 51 7.357 11.643 -2.023 1.00 65.32 H new ATOM 811 N HIS A 52 9.415 13.188 -4.044 1.00 42.30 N ATOM 812 CA HIS A 52 9.505 14.210 -5.081 1.00 5.10 C ATOM 813 C HIS A 52 10.346 13.719 -6.256 1.00 33.10 C ATOM 814 O HIS A 52 11.475 13.266 -6.076 1.00 23.31 O ATOM 815 CB HIS A 52 10.107 15.494 -4.510 1.00 44.30 C ATOM 816 CG HIS A 52 9.445 15.957 -3.249 1.00 50.41 C ATOM 817 ND1 HIS A 52 10.021 15.823 -2.003 1.00 51.24 N ATOM 818 CD2 HIS A 52 8.249 16.558 -3.046 1.00 71.43 C ATOM 819 CE1 HIS A 52 9.207 16.319 -1.089 1.00 11.42 C ATOM 820 NE2 HIS A 52 8.125 16.772 -1.696 1.00 34.13 N ATOM 0 H HIS A 52 10.312 12.915 -3.642 1.00 42.30 H new ATOM 0 HA HIS A 52 8.497 14.418 -5.440 1.00 5.10 H new ATOM 0 HB2 HIS A 52 11.167 15.333 -4.316 1.00 44.30 H new ATOM 0 HB3 HIS A 52 10.036 16.283 -5.259 1.00 44.30 H new ATOM 0 HD2 HIS A 52 7.527 16.820 -3.805 1.00 71.43 H new ATOM 0 HE1 HIS A 52 9.394 16.349 -0.026 1.00 11.42 H new ATOM 0 HE2 HIS A 52 7.327 17.210 -1.236 1.00 34.13 H new ATOM 828 N GLU A 53 9.785 13.812 -7.458 1.00 23.01 N ATOM 829 CA GLU A 53 10.483 13.375 -8.661 1.00 44.33 C ATOM 830 C GLU A 53 10.765 14.556 -9.586 1.00 2.33 C ATOM 831 O GLU A 53 9.915 15.425 -9.778 1.00 25.04 O ATOM 832 CB GLU A 53 9.659 12.320 -9.401 1.00 70.23 C ATOM 833 CG GLU A 53 9.056 11.267 -8.487 1.00 1.05 C ATOM 834 CD GLU A 53 8.577 10.043 -9.242 1.00 63.41 C ATOM 835 OE1 GLU A 53 8.739 10.008 -10.480 1.00 33.22 O ATOM 836 OE2 GLU A 53 8.041 9.119 -8.595 1.00 23.23 O ATOM 0 H GLU A 53 8.850 14.186 -7.624 1.00 23.01 H new ATOM 0 HA GLU A 53 11.434 12.937 -8.359 1.00 44.33 H new ATOM 0 HB2 GLU A 53 8.857 12.816 -9.949 1.00 70.23 H new ATOM 0 HB3 GLU A 53 10.293 11.828 -10.139 1.00 70.23 H new ATOM 0 HG2 GLU A 53 9.798 10.966 -7.748 1.00 1.05 H new ATOM 0 HG3 GLU A 53 8.219 11.702 -7.940 1.00 1.05 H new ATOM 843 N GLY A 54 11.966 14.581 -10.156 1.00 23.22 N ATOM 844 CA GLY A 54 12.340 15.659 -11.052 1.00 50.13 C ATOM 845 C GLY A 54 13.505 15.290 -11.949 1.00 2.12 C ATOM 846 O GLY A 54 13.954 14.143 -11.955 1.00 53.43 O ATOM 0 H GLY A 54 12.687 13.873 -10.013 1.00 23.22 H new ATOM 0 HA2 GLY A 54 11.482 15.929 -11.668 1.00 50.13 H new ATOM 0 HA3 GLY A 54 12.602 16.540 -10.466 1.00 50.13 H new ATOM 850 N TYR A 55 13.996 16.263 -12.709 1.00 31.22 N ATOM 851 CA TYR A 55 15.113 16.033 -13.617 1.00 5.53 C ATOM 852 C TYR A 55 16.424 16.514 -13.000 1.00 53.12 C ATOM 853 O TYR A 55 16.461 17.530 -12.307 1.00 1.55 O ATOM 854 CB TYR A 55 14.871 16.747 -14.948 1.00 2.13 C ATOM 855 CG TYR A 55 13.674 16.222 -15.707 1.00 61.33 C ATOM 856 CD1 TYR A 55 12.382 16.578 -15.339 1.00 44.03 C ATOM 857 CD2 TYR A 55 13.834 15.369 -16.792 1.00 63.40 C ATOM 858 CE1 TYR A 55 11.285 16.100 -16.030 1.00 4.12 C ATOM 859 CE2 TYR A 55 12.743 14.887 -17.489 1.00 63.02 C ATOM 860 CZ TYR A 55 11.471 15.255 -17.104 1.00 41.33 C ATOM 861 OH TYR A 55 10.382 14.777 -17.795 1.00 74.43 O ATOM 0 H TYR A 55 13.638 17.218 -12.714 1.00 31.22 H new ATOM 0 HA TYR A 55 15.188 14.960 -13.796 1.00 5.53 H new ATOM 0 HB2 TYR A 55 14.733 17.812 -14.760 1.00 2.13 H new ATOM 0 HB3 TYR A 55 15.759 16.646 -15.572 1.00 2.13 H new ATOM 0 HD1 TYR A 55 12.233 17.240 -14.499 1.00 44.03 H new ATOM 0 HD2 TYR A 55 14.829 15.078 -17.096 1.00 63.40 H new ATOM 0 HE1 TYR A 55 10.288 16.386 -15.731 1.00 4.12 H new ATOM 0 HE2 TYR A 55 12.885 14.226 -18.331 1.00 63.02 H new ATOM 0 HH TYR A 55 10.686 14.196 -18.523 1.00 74.43 H new ATOM 871 N VAL A 56 17.498 15.775 -13.259 1.00 40.32 N ATOM 872 CA VAL A 56 18.812 16.125 -12.732 1.00 54.42 C ATOM 873 C VAL A 56 19.923 15.618 -13.644 1.00 73.05 C ATOM 874 O VAL A 56 19.752 14.659 -14.398 1.00 1.31 O ATOM 875 CB VAL A 56 19.021 15.551 -11.319 1.00 34.15 C ATOM 876 CG1 VAL A 56 18.259 16.373 -10.290 1.00 31.10 C ATOM 877 CG2 VAL A 56 18.594 14.092 -11.269 1.00 23.55 C ATOM 0 H VAL A 56 17.484 14.930 -13.830 1.00 40.32 H new ATOM 0 HA VAL A 56 18.854 17.213 -12.684 1.00 54.42 H new ATOM 0 HB VAL A 56 20.083 15.604 -11.077 1.00 34.15 H new ATOM 0 HG11 VAL A 56 18.419 15.952 -9.297 1.00 31.10 H new ATOM 0 HG12 VAL A 56 18.617 17.402 -10.310 1.00 31.10 H new ATOM 0 HG13 VAL A 56 17.195 16.354 -10.525 1.00 31.10 H new ATOM 0 HG21 VAL A 56 18.748 13.702 -10.263 1.00 23.55 H new ATOM 0 HG22 VAL A 56 17.539 14.012 -11.531 1.00 23.55 H new ATOM 0 HG23 VAL A 56 19.188 13.515 -11.977 1.00 23.55 H new ATOM 887 N PRO A 57 21.090 16.275 -13.577 1.00 22.24 N ATOM 888 CA PRO A 57 22.254 15.907 -14.389 1.00 53.21 C ATOM 889 C PRO A 57 22.864 14.578 -13.959 1.00 24.20 C ATOM 890 O PRO A 57 23.100 14.347 -12.773 1.00 60.11 O ATOM 891 CB PRO A 57 23.237 17.053 -14.139 1.00 42.22 C ATOM 892 CG PRO A 57 22.855 17.596 -12.806 1.00 10.43 C ATOM 893 CD PRO A 57 21.365 17.427 -12.701 1.00 74.51 C ATOM 0 HA PRO A 57 21.993 15.773 -15.439 1.00 53.21 H new ATOM 0 HB2 PRO A 57 24.268 16.698 -14.141 1.00 42.22 H new ATOM 0 HB3 PRO A 57 23.161 17.816 -14.914 1.00 42.22 H new ATOM 0 HG2 PRO A 57 23.366 17.060 -12.006 1.00 10.43 H new ATOM 0 HG3 PRO A 57 23.136 18.645 -12.717 1.00 10.43 H new ATOM 0 HD2 PRO A 57 21.054 17.234 -11.674 1.00 74.51 H new ATOM 0 HD3 PRO A 57 20.835 18.320 -13.033 1.00 74.51 H new ATOM 901 N SER A 58 23.119 13.707 -14.930 1.00 60.13 N ATOM 902 CA SER A 58 23.700 12.399 -14.651 1.00 74.32 C ATOM 903 C SER A 58 25.179 12.525 -14.300 1.00 70.41 C ATOM 904 O SER A 58 25.719 11.719 -13.543 1.00 24.51 O ATOM 905 CB SER A 58 23.527 11.473 -15.857 1.00 30.11 C ATOM 906 OG SER A 58 23.900 10.144 -15.537 1.00 34.33 O ATOM 0 H SER A 58 22.932 13.884 -15.917 1.00 60.13 H new ATOM 0 HA SER A 58 23.177 11.971 -13.796 1.00 74.32 H new ATOM 0 HB2 SER A 58 22.489 11.493 -16.189 1.00 30.11 H new ATOM 0 HB3 SER A 58 24.134 11.835 -16.687 1.00 30.11 H new ATOM 0 HG SER A 58 23.095 9.601 -15.405 1.00 34.33 H new ATOM 912 N SER A 59 25.828 13.542 -14.856 1.00 42.44 N ATOM 913 CA SER A 59 27.246 13.773 -14.606 1.00 41.11 C ATOM 914 C SER A 59 27.516 13.931 -13.113 1.00 35.53 C ATOM 915 O SER A 59 28.636 13.720 -12.647 1.00 12.40 O ATOM 916 CB SER A 59 27.722 15.019 -15.356 1.00 31.12 C ATOM 917 OG SER A 59 28.809 14.715 -16.212 1.00 62.42 O ATOM 0 H SER A 59 25.395 14.220 -15.483 1.00 42.44 H new ATOM 0 HA SER A 59 27.799 12.906 -14.968 1.00 41.11 H new ATOM 0 HB2 SER A 59 26.900 15.432 -15.940 1.00 31.12 H new ATOM 0 HB3 SER A 59 28.021 15.785 -14.641 1.00 31.12 H new ATOM 0 HG SER A 59 29.093 15.527 -16.681 1.00 62.42 H new ATOM 923 N TYR A 60 26.481 14.302 -12.367 1.00 75.34 N ATOM 924 CA TYR A 60 26.605 14.490 -10.927 1.00 15.21 C ATOM 925 C TYR A 60 25.902 13.369 -10.168 1.00 73.42 C ATOM 926 O TYR A 60 25.562 13.515 -8.993 1.00 43.32 O ATOM 927 CB TYR A 60 26.020 15.843 -10.516 1.00 63.12 C ATOM 928 CG TYR A 60 26.704 17.022 -11.172 1.00 35.32 C ATOM 929 CD1 TYR A 60 26.563 17.263 -12.533 1.00 31.13 C ATOM 930 CD2 TYR A 60 27.489 17.895 -10.430 1.00 1.15 C ATOM 931 CE1 TYR A 60 27.186 18.338 -13.136 1.00 10.23 C ATOM 932 CE2 TYR A 60 28.115 18.974 -11.024 1.00 32.12 C ATOM 933 CZ TYR A 60 27.961 19.191 -12.377 1.00 74.12 C ATOM 934 OH TYR A 60 28.582 20.264 -12.974 1.00 12.11 O ATOM 0 H TYR A 60 25.547 14.478 -12.736 1.00 75.34 H new ATOM 0 HA TYR A 60 27.665 14.467 -10.674 1.00 15.21 H new ATOM 0 HB2 TYR A 60 24.960 15.863 -10.767 1.00 63.12 H new ATOM 0 HB3 TYR A 60 26.093 15.947 -9.433 1.00 63.12 H new ATOM 0 HD1 TYR A 60 25.956 16.598 -13.130 1.00 31.13 H new ATOM 0 HD2 TYR A 60 27.612 17.728 -9.370 1.00 1.15 H new ATOM 0 HE1 TYR A 60 27.067 18.510 -14.196 1.00 10.23 H new ATOM 0 HE2 TYR A 60 28.721 19.644 -10.432 1.00 32.12 H new ATOM 0 HH TYR A 60 29.088 20.765 -12.301 1.00 12.11 H new ATOM 944 N LEU A 61 25.687 12.248 -10.848 1.00 71.21 N ATOM 945 CA LEU A 61 25.025 11.099 -10.240 1.00 21.23 C ATOM 946 C LEU A 61 25.743 9.802 -10.602 1.00 11.45 C ATOM 947 O LEU A 61 26.080 9.570 -11.763 1.00 12.24 O ATOM 948 CB LEU A 61 23.565 11.029 -10.690 1.00 12.34 C ATOM 949 CG LEU A 61 22.593 11.959 -9.962 1.00 43.41 C ATOM 950 CD1 LEU A 61 21.303 12.107 -10.753 1.00 14.13 C ATOM 951 CD2 LEU A 61 22.306 11.440 -8.561 1.00 1.12 C ATOM 0 H LEU A 61 25.961 12.110 -11.821 1.00 71.21 H new ATOM 0 HA LEU A 61 25.060 11.222 -9.158 1.00 21.23 H new ATOM 0 HB2 LEU A 61 23.523 11.254 -11.756 1.00 12.34 H new ATOM 0 HB3 LEU A 61 23.216 10.004 -10.567 1.00 12.34 H new ATOM 0 HG LEU A 61 23.056 12.942 -9.875 1.00 43.41 H new ATOM 0 HD11 LEU A 61 20.624 12.772 -10.220 1.00 14.13 H new ATOM 0 HD12 LEU A 61 21.524 12.525 -11.735 1.00 14.13 H new ATOM 0 HD13 LEU A 61 20.835 11.130 -10.872 1.00 14.13 H new ATOM 0 HD21 LEU A 61 21.613 12.114 -8.058 1.00 1.12 H new ATOM 0 HD22 LEU A 61 21.863 10.446 -8.625 1.00 1.12 H new ATOM 0 HD23 LEU A 61 23.236 11.387 -7.995 1.00 1.12 H new ATOM 963 N VAL A 62 25.972 8.959 -9.600 1.00 1.44 N ATOM 964 CA VAL A 62 26.647 7.684 -9.812 1.00 53.54 C ATOM 965 C VAL A 62 25.696 6.515 -9.582 1.00 64.22 C ATOM 966 O VAL A 62 24.917 6.514 -8.630 1.00 1.20 O ATOM 967 CB VAL A 62 27.865 7.532 -8.883 1.00 3.22 C ATOM 968 CG1 VAL A 62 27.417 7.305 -7.447 1.00 71.33 C ATOM 969 CG2 VAL A 62 28.758 6.396 -9.358 1.00 24.14 C ATOM 0 H VAL A 62 25.700 9.136 -8.633 1.00 1.44 H new ATOM 0 HA VAL A 62 26.987 7.674 -10.848 1.00 53.54 H new ATOM 0 HB VAL A 62 28.443 8.456 -8.916 1.00 3.22 H new ATOM 0 HG11 VAL A 62 28.292 7.200 -6.805 1.00 71.33 H new ATOM 0 HG12 VAL A 62 26.822 8.155 -7.113 1.00 71.33 H new ATOM 0 HG13 VAL A 62 26.816 6.397 -7.393 1.00 71.33 H new ATOM 0 HG21 VAL A 62 29.614 6.303 -8.690 1.00 24.14 H new ATOM 0 HG22 VAL A 62 28.193 5.464 -9.356 1.00 24.14 H new ATOM 0 HG23 VAL A 62 29.108 6.606 -10.369 1.00 24.14 H new ATOM 979 N GLU A 63 25.768 5.520 -10.461 1.00 34.31 N ATOM 980 CA GLU A 63 24.913 4.344 -10.353 1.00 35.52 C ATOM 981 C GLU A 63 25.214 3.568 -9.074 1.00 32.51 C ATOM 982 O GLU A 63 26.308 3.030 -8.903 1.00 62.21 O ATOM 983 CB GLU A 63 25.101 3.435 -11.570 1.00 13.23 C ATOM 984 CG GLU A 63 23.794 2.989 -12.204 1.00 20.00 C ATOM 985 CD GLU A 63 23.941 1.710 -13.006 1.00 5.33 C ATOM 986 OE1 GLU A 63 23.940 0.622 -12.394 1.00 11.15 O ATOM 987 OE2 GLU A 63 24.058 1.799 -14.246 1.00 62.30 O ATOM 0 H GLU A 63 26.409 5.505 -11.255 1.00 34.31 H new ATOM 0 HA GLU A 63 23.877 4.682 -10.318 1.00 35.52 H new ATOM 0 HB2 GLU A 63 25.697 3.960 -12.317 1.00 13.23 H new ATOM 0 HB3 GLU A 63 25.669 2.554 -11.271 1.00 13.23 H new ATOM 0 HG2 GLU A 63 23.048 2.840 -11.423 1.00 20.00 H new ATOM 0 HG3 GLU A 63 23.421 3.780 -12.854 1.00 20.00 H new ATOM 994 N LYS A 64 24.235 3.514 -8.177 1.00 0.21 N ATOM 995 CA LYS A 64 24.393 2.804 -6.913 1.00 54.30 C ATOM 996 C LYS A 64 24.208 1.302 -7.106 1.00 5.51 C ATOM 997 O LYS A 64 23.083 0.803 -7.128 1.00 45.34 O ATOM 998 CB LYS A 64 23.387 3.324 -5.884 1.00 13.24 C ATOM 999 CG LYS A 64 23.687 2.881 -4.462 1.00 72.32 C ATOM 1000 CD LYS A 64 22.899 1.637 -4.088 1.00 73.41 C ATOM 1001 CE LYS A 64 22.974 1.357 -2.595 1.00 12.32 C ATOM 1002 NZ LYS A 64 22.497 -0.014 -2.262 1.00 50.33 N ATOM 0 H LYS A 64 23.323 3.954 -8.302 1.00 0.21 H new ATOM 0 HA LYS A 64 25.404 2.984 -6.547 1.00 54.30 H new ATOM 0 HB2 LYS A 64 23.373 4.413 -5.921 1.00 13.24 H new ATOM 0 HB3 LYS A 64 22.389 2.982 -6.159 1.00 13.24 H new ATOM 0 HG2 LYS A 64 24.754 2.682 -4.359 1.00 72.32 H new ATOM 0 HG3 LYS A 64 23.445 3.688 -3.770 1.00 72.32 H new ATOM 0 HD2 LYS A 64 21.857 1.762 -4.384 1.00 73.41 H new ATOM 0 HD3 LYS A 64 23.286 0.780 -4.640 1.00 73.41 H new ATOM 0 HE2 LYS A 64 24.003 1.476 -2.255 1.00 12.32 H new ATOM 0 HE3 LYS A 64 22.373 2.091 -2.057 1.00 12.32 H new ATOM 0 HZ1 LYS A 64 22.564 -0.165 -1.235 1.00 50.33 H new ATOM 0 HZ2 LYS A 64 21.507 -0.120 -2.564 1.00 50.33 H new ATOM 0 HZ3 LYS A 64 23.086 -0.716 -2.754 1.00 50.33 H new