USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 Set 1.1: A 83 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 86 MET CE :methyl 135:sc= -6.05! (180deg=-11.8!) USER MOD Set 2.1: A 50 SER OG : rot -120:sc= 1.19 USER MOD Set 2.2: A 53 HIS :FLIP no HD1:sc= -1.07 F(o=-4.6!,f=-3.4) USER MOD Set 2.3: A 54 ASN : amide:sc= -3.51! C(o=-3.4!,f=-6.2!) USER MOD Set 3.1: A 48 GLN : amide:sc= -0.206 K(o=-4.1,f=-5.6) USER MOD Set 3.2: A 49 ASN :FLIP amide:sc= -3.93! C(o=-5.6!,f=-4.1!) USER MOD Single : A 7 SER OG : rot -89:sc= -1.9! USER MOD Single : A 8 TYR OH : rot -178:sc= -3.2! USER MOD Single : A 13 THR OG1 : rot -32:sc= -0.126! USER MOD Single : A 14 MET CE :methyl -123:sc= -0.0083 (180deg=-1.11) USER MOD Single : A 18 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.1) USER MOD Single : A 19 SER OG : rot 32:sc= -4.24! USER MOD Single : A 21 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0.081 (180deg=0.081) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 27 SER OG : rot -171:sc= -0.352! USER MOD Single : A 30 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 34 SER OG : rot 74:sc= -0.627 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -79:sc= 0.9 USER MOD Single : A 58 ASN : amide:sc= -6.1! C(o=-6.1!,f=-8.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -1.66 (180deg=-3.04!) USER MOD Single : A 70 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7.6!) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0111 (180deg=-0.333) USER MOD Single : A 75 ASN : amide:sc= -1.87 K(o=-1.9,f=-13!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 82 GLN : amide:sc= -1.05 K(o=-1,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -6.169 -0.001 2.442 1.00 0.00 N ATOM 89 CA SER A 7 -5.989 1.389 2.824 1.00 0.00 C ATOM 90 C SER A 7 -5.457 1.474 4.256 1.00 0.00 C ATOM 91 O SER A 7 -4.958 0.488 4.796 1.00 0.00 O ATOM 92 CB SER A 7 -7.299 2.169 2.697 1.00 0.00 C ATOM 93 OG SER A 7 -8.249 1.782 3.686 1.00 0.00 O ATOM 0 HA SER A 7 -5.263 1.838 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.096 3.236 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.722 2.008 1.705 1.00 0.00 H new ATOM 0 HG SER A 7 -8.788 1.036 3.348 1.00 0.00 H new ATOM 99 N TYR A 8 -5.583 2.661 4.830 1.00 0.00 N ATOM 100 CA TYR A 8 -5.121 2.888 6.189 1.00 0.00 C ATOM 101 C TYR A 8 -6.177 2.450 7.207 1.00 0.00 C ATOM 102 O TYR A 8 -5.840 2.008 8.304 1.00 0.00 O ATOM 103 CB TYR A 8 -4.904 4.397 6.315 1.00 0.00 C ATOM 104 CG TYR A 8 -3.906 4.793 7.404 1.00 0.00 C ATOM 105 CD1 TYR A 8 -2.564 4.511 7.247 1.00 0.00 C ATOM 106 CD2 TYR A 8 -4.347 5.434 8.545 1.00 0.00 C ATOM 107 CE1 TYR A 8 -1.624 4.884 8.272 1.00 0.00 C ATOM 108 CE2 TYR A 8 -3.407 5.807 9.570 1.00 0.00 C ATOM 109 CZ TYR A 8 -2.092 5.514 9.383 1.00 0.00 C ATOM 110 OH TYR A 8 -1.205 5.866 10.351 1.00 0.00 O ATOM 0 H TYR A 8 -5.998 3.476 4.379 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.213 2.318 6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.555 4.785 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.861 4.875 6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.219 4.010 6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.397 5.655 8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.572 4.669 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.739 6.308 10.467 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.684 6.280 11.099 1.00 0.00 H new ATOM 120 N ILE A 9 -7.432 2.588 6.806 1.00 0.00 N ATOM 121 CA ILE A 9 -8.539 2.212 7.670 1.00 0.00 C ATOM 122 C ILE A 9 -8.196 0.907 8.391 1.00 0.00 C ATOM 123 O ILE A 9 -8.673 0.662 9.499 1.00 0.00 O ATOM 124 CB ILE A 9 -9.843 2.150 6.872 1.00 0.00 C ATOM 125 CG1 ILE A 9 -11.055 2.313 7.791 1.00 0.00 C ATOM 126 CG2 ILE A 9 -9.920 0.865 6.045 1.00 0.00 C ATOM 127 CD1 ILE A 9 -10.951 3.599 8.614 1.00 0.00 C ATOM 0 H ILE A 9 -7.707 2.955 5.895 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.698 2.969 8.438 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.855 2.985 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.968 2.331 7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.127 1.455 8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.857 0.847 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.082 0.830 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.876 0.002 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.825 3.690 9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.050 3.567 9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.903 4.457 7.944 1.00 0.00 H new ATOM 139 N ALA A 10 -7.373 0.103 7.734 1.00 0.00 N ATOM 140 CA ALA A 10 -6.962 -1.171 8.299 1.00 0.00 C ATOM 141 C ALA A 10 -5.969 -0.923 9.437 1.00 0.00 C ATOM 142 O ALA A 10 -6.167 -1.400 10.553 1.00 0.00 O ATOM 143 CB ALA A 10 -6.374 -2.053 7.196 1.00 0.00 C ATOM 0 H ALA A 10 -6.980 0.309 6.816 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.819 -1.699 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.066 -3.009 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.127 -2.223 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.510 -1.556 6.755 1.00 0.00 H new ATOM 149 N LEU A 11 -4.923 -0.176 9.115 1.00 0.00 N ATOM 150 CA LEU A 11 -3.900 0.142 10.096 1.00 0.00 C ATOM 151 C LEU A 11 -4.556 0.773 11.326 1.00 0.00 C ATOM 152 O LEU A 11 -4.193 0.458 12.458 1.00 0.00 O ATOM 153 CB LEU A 11 -2.807 1.010 9.469 1.00 0.00 C ATOM 154 CG LEU A 11 -1.901 0.315 8.451 1.00 0.00 C ATOM 155 CD1 LEU A 11 -2.317 0.662 7.020 1.00 0.00 C ATOM 156 CD2 LEU A 11 -0.429 0.641 8.715 1.00 0.00 C ATOM 0 H LEU A 11 -4.762 0.218 8.188 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.400 -0.766 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.282 1.862 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.183 1.408 10.269 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.019 -0.762 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.657 0.155 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.344 0.339 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.247 1.740 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.194 0.135 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.276 1.718 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.155 0.303 9.714 1.00 0.00 H new ATOM 168 N ILE A 12 -5.512 1.652 11.061 1.00 0.00 N ATOM 169 CA ILE A 12 -6.222 2.330 12.132 1.00 0.00 C ATOM 170 C ILE A 12 -7.080 1.316 12.891 1.00 0.00 C ATOM 171 O ILE A 12 -7.047 1.266 14.120 1.00 0.00 O ATOM 172 CB ILE A 12 -7.016 3.516 11.581 1.00 0.00 C ATOM 173 CG1 ILE A 12 -6.080 4.624 11.094 1.00 0.00 C ATOM 174 CG2 ILE A 12 -8.023 4.029 12.613 1.00 0.00 C ATOM 175 CD1 ILE A 12 -5.027 4.957 12.153 1.00 0.00 C ATOM 0 H ILE A 12 -5.811 1.910 10.121 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.517 2.752 12.849 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.586 3.173 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.588 4.311 10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.659 5.517 10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.574 4.872 12.196 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.720 3.231 12.869 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.493 4.350 13.510 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.375 5.747 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.521 5.293 13.065 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.434 4.068 12.368 1.00 0.00 H new ATOM 187 N THR A 13 -7.827 0.531 12.128 1.00 0.00 N ATOM 188 CA THR A 13 -8.691 -0.479 12.714 1.00 0.00 C ATOM 189 C THR A 13 -7.981 -1.182 13.873 1.00 0.00 C ATOM 190 O THR A 13 -8.564 -1.373 14.939 1.00 0.00 O ATOM 191 CB THR A 13 -9.127 -1.433 11.600 1.00 0.00 C ATOM 192 OG1 THR A 13 -10.194 -0.746 10.952 1.00 0.00 O ATOM 193 CG2 THR A 13 -9.777 -2.707 12.141 1.00 0.00 C ATOM 0 H THR A 13 -7.851 0.574 11.109 1.00 0.00 H new ATOM 0 HA THR A 13 -9.586 -0.031 13.146 1.00 0.00 H new ATOM 0 HB THR A 13 -8.263 -1.698 10.991 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.677 -0.199 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.068 -3.349 11.309 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.067 -3.236 12.777 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.661 -2.446 12.723 1.00 0.00 H new ATOM 201 N MET A 14 -6.732 -1.549 13.624 1.00 0.00 N ATOM 202 CA MET A 14 -5.937 -2.227 14.633 1.00 0.00 C ATOM 203 C MET A 14 -5.375 -1.230 15.649 1.00 0.00 C ATOM 204 O MET A 14 -5.227 -1.556 16.826 1.00 0.00 O ATOM 205 CB MET A 14 -4.783 -2.972 13.958 1.00 0.00 C ATOM 206 CG MET A 14 -4.427 -4.245 14.729 1.00 0.00 C ATOM 207 SD MET A 14 -3.034 -5.054 13.961 1.00 0.00 S ATOM 208 CE MET A 14 -1.710 -4.003 14.535 1.00 0.00 C ATOM 0 H MET A 14 -6.252 -1.389 12.738 1.00 0.00 H new ATOM 0 HA MET A 14 -6.579 -2.933 15.160 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.059 -3.227 12.935 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.910 -2.322 13.900 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.190 -3.999 15.764 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.283 -4.919 14.750 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.164 -3.606 13.679 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.125 -3.179 15.115 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.031 -4.582 15.161 1.00 0.00 H new ATOM 218 N ALA A 15 -5.078 -0.037 15.157 1.00 0.00 N ATOM 219 CA ALA A 15 -4.536 1.009 16.008 1.00 0.00 C ATOM 220 C ALA A 15 -5.521 1.300 17.142 1.00 0.00 C ATOM 221 O ALA A 15 -5.112 1.598 18.263 1.00 0.00 O ATOM 222 CB ALA A 15 -4.236 2.250 15.164 1.00 0.00 C ATOM 0 H ALA A 15 -5.202 0.229 14.180 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.598 0.687 16.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.830 3.035 15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.509 1.998 14.392 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.155 2.603 14.696 1.00 0.00 H new ATOM 228 N ILE A 16 -6.800 1.202 16.811 1.00 0.00 N ATOM 229 CA ILE A 16 -7.847 1.451 17.788 1.00 0.00 C ATOM 230 C ILE A 16 -8.059 0.193 18.633 1.00 0.00 C ATOM 231 O ILE A 16 -8.077 0.261 19.861 1.00 0.00 O ATOM 232 CB ILE A 16 -9.118 1.949 17.097 1.00 0.00 C ATOM 233 CG1 ILE A 16 -8.853 3.249 16.334 1.00 0.00 C ATOM 234 CG2 ILE A 16 -10.265 2.096 18.098 1.00 0.00 C ATOM 235 CD1 ILE A 16 -8.865 4.452 17.279 1.00 0.00 C ATOM 0 H ILE A 16 -7.135 0.954 15.880 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.550 2.248 18.470 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.424 1.202 16.365 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.889 3.188 15.829 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.610 3.382 15.561 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.156 2.451 17.581 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.473 1.130 18.557 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.984 2.812 18.870 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.674 5.363 16.711 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.839 4.524 17.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.091 4.328 18.036 1.00 0.00 H new ATOM 247 N LEU A 17 -8.216 -0.926 17.941 1.00 0.00 N ATOM 248 CA LEU A 17 -8.426 -2.198 18.613 1.00 0.00 C ATOM 249 C LEU A 17 -7.258 -2.467 19.564 1.00 0.00 C ATOM 250 O LEU A 17 -7.467 -2.810 20.727 1.00 0.00 O ATOM 251 CB LEU A 17 -8.655 -3.312 17.590 1.00 0.00 C ATOM 252 CG LEU A 17 -9.910 -3.180 16.724 1.00 0.00 C ATOM 253 CD1 LEU A 17 -9.814 -4.067 15.481 1.00 0.00 C ATOM 254 CD2 LEU A 17 -11.172 -3.471 17.540 1.00 0.00 C ATOM 0 H LEU A 17 -8.202 -0.979 16.922 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.330 -2.163 19.221 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.787 -3.358 16.932 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.703 -4.262 18.122 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.980 -2.149 16.379 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.718 -3.954 14.883 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.948 -3.771 14.889 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.707 -5.108 15.785 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.050 -3.370 16.901 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.124 -4.486 17.934 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.242 -2.764 18.367 1.00 0.00 H new ATOM 266 N GLN A 18 -6.055 -2.301 19.034 1.00 0.00 N ATOM 267 CA GLN A 18 -4.854 -2.521 19.822 1.00 0.00 C ATOM 268 C GLN A 18 -5.008 -1.897 21.210 1.00 0.00 C ATOM 269 O GLN A 18 -4.446 -2.396 22.184 1.00 0.00 O ATOM 270 CB GLN A 18 -3.620 -1.969 19.106 1.00 0.00 C ATOM 271 CG GLN A 18 -3.564 -0.444 19.207 1.00 0.00 C ATOM 272 CD GLN A 18 -2.583 -0.002 20.295 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.276 -0.731 21.223 1.00 0.00 O ATOM 274 NE2 GLN A 18 -2.111 1.230 20.129 1.00 0.00 N ATOM 0 H GLN A 18 -5.886 -2.017 18.069 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.713 -3.595 19.942 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.719 -2.399 19.543 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.640 -2.267 18.058 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.262 -0.023 18.248 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.558 -0.054 19.428 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.410 1.787 19.329 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.450 1.618 20.802 1.00 0.00 H new ATOM 283 N SER A 19 -5.771 -0.815 21.256 1.00 0.00 N ATOM 284 CA SER A 19 -6.005 -0.118 22.509 1.00 0.00 C ATOM 285 C SER A 19 -7.491 -0.173 22.869 1.00 0.00 C ATOM 286 O SER A 19 -8.212 0.809 22.697 1.00 0.00 O ATOM 287 CB SER A 19 -5.533 1.335 22.428 1.00 0.00 C ATOM 288 OG SER A 19 -5.784 1.907 21.147 1.00 0.00 O ATOM 0 H SER A 19 -6.235 -0.404 20.446 1.00 0.00 H new ATOM 0 HA SER A 19 -5.429 -0.616 23.289 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.039 1.924 23.193 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.465 1.382 22.643 1.00 0.00 H new ATOM 0 HG SER A 19 -6.594 1.510 20.764 1.00 0.00 H new ATOM 294 N PRO A 20 -7.917 -1.362 23.375 1.00 0.00 N ATOM 295 CA PRO A 20 -9.304 -1.558 23.761 1.00 0.00 C ATOM 296 C PRO A 20 -9.612 -0.846 25.080 1.00 0.00 C ATOM 297 O PRO A 20 -10.361 -1.363 25.907 1.00 0.00 O ATOM 298 CB PRO A 20 -9.480 -3.065 23.844 1.00 0.00 C ATOM 299 CG PRO A 20 -8.078 -3.643 23.957 1.00 0.00 C ATOM 300 CD PRO A 20 -7.091 -2.546 23.593 1.00 0.00 C ATOM 0 HA PRO A 20 -10.005 -1.128 23.046 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.087 -3.340 24.707 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.990 -3.448 22.960 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.894 -4.002 24.970 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.962 -4.497 23.290 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.368 -2.383 24.392 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.524 -2.804 22.698 1.00 0.00 H new ATOM 308 N GLN A 21 -9.019 0.328 25.234 1.00 0.00 N ATOM 309 CA GLN A 21 -9.221 1.116 26.438 1.00 0.00 C ATOM 310 C GLN A 21 -9.872 2.457 26.093 1.00 0.00 C ATOM 311 O GLN A 21 -10.312 3.185 26.981 1.00 0.00 O ATOM 312 CB GLN A 21 -7.902 1.323 27.186 1.00 0.00 C ATOM 313 CG GLN A 21 -8.139 1.443 28.692 1.00 0.00 C ATOM 314 CD GLN A 21 -7.419 0.326 29.451 1.00 0.00 C ATOM 315 OE1 GLN A 21 -6.933 -0.636 28.878 1.00 0.00 O ATOM 316 NE2 GLN A 21 -7.377 0.506 30.768 1.00 0.00 N ATOM 0 H GLN A 21 -8.398 0.753 24.545 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.893 0.568 27.098 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.231 0.488 26.985 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.409 2.223 26.819 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.786 2.413 29.043 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.208 1.399 28.900 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.804 1.334 31.183 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.918 -0.184 31.363 1.00 0.00 H new ATOM 325 N LYS A 22 -9.913 2.742 24.800 1.00 0.00 N ATOM 326 CA LYS A 22 -10.503 3.983 24.326 1.00 0.00 C ATOM 327 C LYS A 22 -9.641 5.160 24.783 1.00 0.00 C ATOM 328 O LYS A 22 -10.089 5.995 25.567 1.00 0.00 O ATOM 329 CB LYS A 22 -11.965 4.084 24.766 1.00 0.00 C ATOM 330 CG LYS A 22 -12.850 3.140 23.949 1.00 0.00 C ATOM 331 CD LYS A 22 -12.826 1.725 24.530 1.00 0.00 C ATOM 332 CE LYS A 22 -12.401 0.705 23.472 1.00 0.00 C ATOM 333 NZ LYS A 22 -12.732 -0.668 23.913 1.00 0.00 N ATOM 0 H LYS A 22 -9.548 2.135 24.066 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.520 4.004 23.236 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.047 3.840 25.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.314 5.110 24.647 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.874 3.515 23.937 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.507 3.118 22.915 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.138 1.686 25.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.814 1.468 24.912 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.902 0.921 22.528 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.329 0.786 23.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.437 -1.348 23.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.234 -0.877 24.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.758 -0.746 24.064 1.00 0.00 H new ATOM 347 N LYS A 23 -8.418 5.190 24.274 1.00 0.00 N ATOM 348 CA LYS A 23 -7.488 6.251 24.621 1.00 0.00 C ATOM 349 C LYS A 23 -6.155 6.008 23.911 1.00 0.00 C ATOM 350 O LYS A 23 -5.442 5.057 24.229 1.00 0.00 O ATOM 351 CB LYS A 23 -7.361 6.377 26.141 1.00 0.00 C ATOM 352 CG LYS A 23 -7.071 5.018 26.781 1.00 0.00 C ATOM 353 CD LYS A 23 -6.065 5.156 27.926 1.00 0.00 C ATOM 354 CE LYS A 23 -4.721 4.528 27.552 1.00 0.00 C ATOM 355 NZ LYS A 23 -3.686 5.574 27.393 1.00 0.00 N ATOM 0 H LYS A 23 -8.050 4.496 23.624 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.863 7.214 24.275 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.562 7.076 26.386 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.282 6.788 26.554 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.997 4.583 27.156 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.680 4.333 26.028 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.924 6.210 28.166 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.459 4.675 28.821 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.416 3.821 28.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.822 3.964 26.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.780 5.130 27.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.971 6.233 26.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.578 6.094 28.287 1.00 0.00 H new ATOM 369 N LEU A 24 -5.858 6.884 22.962 1.00 0.00 N ATOM 370 CA LEU A 24 -4.623 6.776 22.204 1.00 0.00 C ATOM 371 C LEU A 24 -4.249 8.152 21.648 1.00 0.00 C ATOM 372 O LEU A 24 -5.052 9.083 21.693 1.00 0.00 O ATOM 373 CB LEU A 24 -4.746 5.692 21.131 1.00 0.00 C ATOM 374 CG LEU A 24 -6.080 5.636 20.384 1.00 0.00 C ATOM 375 CD1 LEU A 24 -5.858 5.547 18.873 1.00 0.00 C ATOM 376 CD2 LEU A 24 -6.951 4.491 20.904 1.00 0.00 C ATOM 0 H LEU A 24 -6.451 7.672 22.701 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.805 6.460 22.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.950 5.839 20.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.574 4.723 21.600 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.619 6.564 20.576 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.822 5.508 18.365 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.304 6.423 18.534 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.290 4.646 18.641 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.893 4.473 20.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.430 3.544 20.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.151 4.639 21.965 1.00 0.00 H new ATOM 388 N THR A 25 -3.030 8.237 21.137 1.00 0.00 N ATOM 389 CA THR A 25 -2.540 9.483 20.573 1.00 0.00 C ATOM 390 C THR A 25 -2.170 9.293 19.101 1.00 0.00 C ATOM 391 O THR A 25 -1.467 8.347 18.751 1.00 0.00 O ATOM 392 CB THR A 25 -1.372 9.966 21.436 1.00 0.00 C ATOM 393 OG1 THR A 25 -0.329 9.035 21.160 1.00 0.00 O ATOM 394 CG2 THR A 25 -1.639 9.793 22.933 1.00 0.00 C ATOM 0 H THR A 25 -2.367 7.463 21.102 1.00 0.00 H new ATOM 0 HA THR A 25 -3.312 10.253 20.585 1.00 0.00 H new ATOM 0 HB THR A 25 -1.172 11.016 21.222 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.468 9.274 21.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.779 10.151 23.500 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.523 10.366 23.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.805 8.739 23.153 1.00 0.00 H new ATOM 402 N LEU A 26 -2.661 10.209 18.278 1.00 0.00 N ATOM 403 CA LEU A 26 -2.390 10.154 16.851 1.00 0.00 C ATOM 404 C LEU A 26 -0.881 10.048 16.626 1.00 0.00 C ATOM 405 O LEU A 26 -0.429 9.295 15.764 1.00 0.00 O ATOM 406 CB LEU A 26 -3.036 11.343 16.138 1.00 0.00 C ATOM 407 CG LEU A 26 -2.918 11.355 14.612 1.00 0.00 C ATOM 408 CD1 LEU A 26 -1.554 11.891 14.173 1.00 0.00 C ATOM 409 CD2 LEU A 26 -3.205 9.970 14.029 1.00 0.00 C ATOM 0 H LEU A 26 -3.244 10.993 18.572 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.841 9.264 16.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.093 11.368 16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.590 12.259 16.524 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.674 12.033 14.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.496 11.889 13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.427 12.909 14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.766 11.257 14.580 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.114 10.006 12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.490 9.251 14.429 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.216 9.664 14.299 1.00 0.00 H new ATOM 421 N SER A 27 -0.141 10.812 17.417 1.00 0.00 N ATOM 422 CA SER A 27 1.308 10.813 17.315 1.00 0.00 C ATOM 423 C SER A 27 1.851 9.405 17.565 1.00 0.00 C ATOM 424 O SER A 27 2.541 8.842 16.716 1.00 0.00 O ATOM 425 CB SER A 27 1.929 11.805 18.301 1.00 0.00 C ATOM 426 OG SER A 27 2.999 11.223 19.040 1.00 0.00 O ATOM 0 H SER A 27 -0.519 11.435 18.131 1.00 0.00 H new ATOM 0 HA SER A 27 1.580 11.126 16.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.295 12.676 17.757 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.163 12.159 18.990 1.00 0.00 H new ATOM 0 HG SER A 27 3.271 11.833 19.757 1.00 0.00 H new ATOM 432 N GLY A 28 1.520 8.876 18.734 1.00 0.00 N ATOM 433 CA GLY A 28 1.966 7.545 19.106 1.00 0.00 C ATOM 434 C GLY A 28 1.556 6.514 18.052 1.00 0.00 C ATOM 435 O GLY A 28 2.334 5.624 17.714 1.00 0.00 O ATOM 0 H GLY A 28 0.948 9.346 19.436 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.050 7.540 19.222 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.541 7.272 20.072 1.00 0.00 H new ATOM 439 N ILE A 29 0.334 6.670 17.563 1.00 0.00 N ATOM 440 CA ILE A 29 -0.189 5.764 16.554 1.00 0.00 C ATOM 441 C ILE A 29 0.685 5.844 15.301 1.00 0.00 C ATOM 442 O ILE A 29 1.207 4.831 14.838 1.00 0.00 O ATOM 443 CB ILE A 29 -1.668 6.051 16.292 1.00 0.00 C ATOM 444 CG1 ILE A 29 -2.560 5.046 17.025 1.00 0.00 C ATOM 445 CG2 ILE A 29 -1.962 6.089 14.791 1.00 0.00 C ATOM 446 CD1 ILE A 29 -2.118 4.880 18.480 1.00 0.00 C ATOM 0 H ILE A 29 -0.308 7.410 17.847 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.146 4.734 16.907 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.900 7.039 16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.596 5.382 16.992 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.522 4.082 16.517 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.021 6.295 14.633 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.366 6.873 14.323 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.709 5.127 14.346 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.768 4.161 18.978 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.089 4.520 18.509 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.181 5.841 18.991 1.00 0.00 H new ATOM 458 N CYS A 30 0.817 7.058 14.787 1.00 0.00 N ATOM 459 CA CYS A 30 1.619 7.283 13.596 1.00 0.00 C ATOM 460 C CYS A 30 2.949 6.547 13.766 1.00 0.00 C ATOM 461 O CYS A 30 3.474 5.977 12.810 1.00 0.00 O ATOM 462 CB CYS A 30 1.823 8.775 13.326 1.00 0.00 C ATOM 463 SG CYS A 30 2.651 9.011 11.711 1.00 0.00 S ATOM 0 H CYS A 30 0.382 7.896 15.173 1.00 0.00 H new ATOM 0 HA CYS A 30 1.097 6.890 12.723 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.862 9.288 13.330 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.424 9.218 14.120 1.00 0.00 H new ATOM 0 HG CYS A 30 2.818 10.281 11.490 1.00 0.00 H new ATOM 469 N GLU A 31 3.456 6.582 14.989 1.00 0.00 N ATOM 470 CA GLU A 31 4.716 5.925 15.296 1.00 0.00 C ATOM 471 C GLU A 31 4.561 4.407 15.191 1.00 0.00 C ATOM 472 O GLU A 31 5.449 3.723 14.684 1.00 0.00 O ATOM 473 CB GLU A 31 5.222 6.330 16.682 1.00 0.00 C ATOM 474 CG GLU A 31 6.747 6.242 16.756 1.00 0.00 C ATOM 475 CD GLU A 31 7.339 7.500 17.394 1.00 0.00 C ATOM 476 OE1 GLU A 31 6.754 8.581 17.166 1.00 0.00 O ATOM 477 OE2 GLU A 31 8.364 7.353 18.095 1.00 0.00 O ATOM 0 H GLU A 31 3.018 7.055 15.779 1.00 0.00 H new ATOM 0 HA GLU A 31 5.459 6.247 14.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.902 7.347 16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.780 5.682 17.438 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.036 5.365 17.336 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.156 6.111 15.754 1.00 0.00 H new ATOM 484 N PHE A 32 3.428 3.924 15.679 1.00 0.00 N ATOM 485 CA PHE A 32 3.146 2.499 15.646 1.00 0.00 C ATOM 486 C PHE A 32 2.896 2.022 14.214 1.00 0.00 C ATOM 487 O PHE A 32 3.034 0.836 13.917 1.00 0.00 O ATOM 488 CB PHE A 32 1.880 2.274 16.475 1.00 0.00 C ATOM 489 CG PHE A 32 0.883 1.303 15.838 1.00 0.00 C ATOM 490 CD1 PHE A 32 1.228 0.001 15.651 1.00 0.00 C ATOM 491 CD2 PHE A 32 -0.346 1.743 15.458 1.00 0.00 C ATOM 492 CE1 PHE A 32 0.303 -0.900 15.059 1.00 0.00 C ATOM 493 CE2 PHE A 32 -1.271 0.842 14.867 1.00 0.00 C ATOM 494 CZ PHE A 32 -0.927 -0.461 14.680 1.00 0.00 C ATOM 0 H PHE A 32 2.694 4.494 16.100 1.00 0.00 H new ATOM 0 HA PHE A 32 3.996 1.943 16.042 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.164 1.895 17.457 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.387 3.233 16.634 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.205 -0.348 15.952 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.619 2.778 15.606 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.577 -1.934 14.910 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.248 1.191 14.566 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.630 -1.146 14.231 1.00 0.00 H new ATOM 504 N ILE A 33 2.531 2.971 13.364 1.00 0.00 N ATOM 505 CA ILE A 33 2.259 2.663 11.970 1.00 0.00 C ATOM 506 C ILE A 33 3.581 2.577 11.205 1.00 0.00 C ATOM 507 O ILE A 33 3.862 1.572 10.554 1.00 0.00 O ATOM 508 CB ILE A 33 1.272 3.672 11.381 1.00 0.00 C ATOM 509 CG1 ILE A 33 -0.039 3.680 12.169 1.00 0.00 C ATOM 510 CG2 ILE A 33 1.043 3.409 9.891 1.00 0.00 C ATOM 511 CD1 ILE A 33 -0.808 2.373 11.969 1.00 0.00 C ATOM 0 H ILE A 33 2.417 3.953 13.614 1.00 0.00 H new ATOM 0 HA ILE A 33 1.775 1.690 11.882 1.00 0.00 H new ATOM 0 HB ILE A 33 1.707 4.667 11.469 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.171 3.824 13.229 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.655 4.521 11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.337 4.140 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.989 3.493 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.639 2.406 9.757 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.736 2.406 12.540 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.038 2.244 10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.199 1.537 12.313 1.00 0.00 H new ATOM 523 N SER A 34 4.358 3.646 11.307 1.00 0.00 N ATOM 524 CA SER A 34 5.643 3.704 10.632 1.00 0.00 C ATOM 525 C SER A 34 6.508 2.513 11.049 1.00 0.00 C ATOM 526 O SER A 34 7.115 1.856 10.204 1.00 0.00 O ATOM 527 CB SER A 34 6.367 5.017 10.938 1.00 0.00 C ATOM 528 OG SER A 34 5.559 6.153 10.643 1.00 0.00 O ATOM 0 H SER A 34 4.122 4.478 11.847 1.00 0.00 H new ATOM 0 HA SER A 34 5.466 3.659 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.651 5.038 11.990 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.288 5.067 10.358 1.00 0.00 H new ATOM 0 HG SER A 34 4.864 6.247 11.327 1.00 0.00 H new ATOM 534 N ASN A 35 6.536 2.270 12.351 1.00 0.00 N ATOM 535 CA ASN A 35 7.316 1.169 12.890 1.00 0.00 C ATOM 536 C ASN A 35 6.989 -0.110 12.115 1.00 0.00 C ATOM 537 O ASN A 35 7.880 -0.904 11.817 1.00 0.00 O ATOM 538 CB ASN A 35 6.982 0.927 14.364 1.00 0.00 C ATOM 539 CG ASN A 35 8.209 0.424 15.128 1.00 0.00 C ATOM 540 OD1 ASN A 35 8.436 -0.765 15.275 1.00 0.00 O ATOM 541 ND2 ASN A 35 8.983 1.394 15.606 1.00 0.00 N ATOM 0 H ASN A 35 6.031 2.817 13.049 1.00 0.00 H new ATOM 0 HA ASN A 35 8.371 1.426 12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.622 1.851 14.816 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.176 0.198 14.443 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.825 1.162 16.132 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.734 2.370 15.446 1.00 0.00 H new ATOM 548 N ARG A 36 5.709 -0.269 11.812 1.00 0.00 N ATOM 549 CA ARG A 36 5.254 -1.437 11.078 1.00 0.00 C ATOM 550 C ARG A 36 5.600 -1.299 9.594 1.00 0.00 C ATOM 551 O ARG A 36 6.175 -2.209 9.000 1.00 0.00 O ATOM 552 CB ARG A 36 3.743 -1.626 11.227 1.00 0.00 C ATOM 553 CG ARG A 36 3.402 -2.283 12.566 1.00 0.00 C ATOM 554 CD ARG A 36 4.004 -3.687 12.657 1.00 0.00 C ATOM 555 NE ARG A 36 4.717 -3.849 13.944 1.00 0.00 N ATOM 556 CZ ARG A 36 5.729 -4.705 14.139 1.00 0.00 C ATOM 557 NH1 ARG A 36 6.154 -5.481 13.133 1.00 0.00 N ATOM 558 NH2 ARG A 36 6.318 -4.784 15.340 1.00 0.00 N ATOM 0 H ARG A 36 4.973 0.392 12.062 1.00 0.00 H new ATOM 0 HA ARG A 36 5.761 -2.308 11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.243 -0.660 11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.368 -2.242 10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.779 -1.668 13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.320 -2.339 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.216 -4.436 12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.692 -3.851 11.827 1.00 0.00 H new ATOM 0 HE ARG A 36 4.419 -3.273 14.731 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.707 -5.420 12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.925 -6.133 13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.996 -4.192 16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.088 -5.436 15.488 1.00 0.00 H new ATOM 572 N PHE A 37 5.234 -0.153 9.038 1.00 0.00 N ATOM 573 CA PHE A 37 5.499 0.115 7.634 1.00 0.00 C ATOM 574 C PHE A 37 6.341 1.382 7.468 1.00 0.00 C ATOM 575 O PHE A 37 5.848 2.491 7.666 1.00 0.00 O ATOM 576 CB PHE A 37 4.144 0.326 6.956 1.00 0.00 C ATOM 577 CG PHE A 37 3.074 -0.685 7.375 1.00 0.00 C ATOM 578 CD1 PHE A 37 2.512 -0.606 8.611 1.00 0.00 C ATOM 579 CD2 PHE A 37 2.686 -1.662 6.512 1.00 0.00 C ATOM 580 CE1 PHE A 37 1.519 -1.544 9.000 1.00 0.00 C ATOM 581 CE2 PHE A 37 1.694 -2.600 6.901 1.00 0.00 C ATOM 582 CZ PHE A 37 1.131 -2.521 8.137 1.00 0.00 C ATOM 0 H PHE A 37 4.757 0.600 9.534 1.00 0.00 H new ATOM 0 HA PHE A 37 6.050 -0.716 7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.788 1.331 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.277 0.272 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.821 0.170 9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.133 -1.724 5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.072 -1.481 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.386 -3.376 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.376 -3.234 8.433 1.00 0.00 H new ATOM 592 N PRO A 38 7.632 1.168 7.095 1.00 0.00 N ATOM 593 CA PRO A 38 8.548 2.279 6.899 1.00 0.00 C ATOM 594 C PRO A 38 8.253 3.009 5.587 1.00 0.00 C ATOM 595 O PRO A 38 8.227 4.238 5.548 1.00 0.00 O ATOM 596 CB PRO A 38 9.934 1.657 6.935 1.00 0.00 C ATOM 597 CG PRO A 38 9.731 0.172 6.683 1.00 0.00 C ATOM 598 CD PRO A 38 8.251 -0.131 6.851 1.00 0.00 C ATOM 0 HA PRO A 38 8.450 3.045 7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.580 2.097 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.414 1.828 7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.064 -0.094 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.323 -0.418 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.840 -0.604 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.079 -0.814 7.683 1.00 0.00 H new ATOM 606 N TYR A 39 8.037 2.220 4.545 1.00 0.00 N ATOM 607 CA TYR A 39 7.745 2.775 3.234 1.00 0.00 C ATOM 608 C TYR A 39 6.705 3.893 3.331 1.00 0.00 C ATOM 609 O TYR A 39 6.826 4.918 2.663 1.00 0.00 O ATOM 610 CB TYR A 39 7.165 1.625 2.409 1.00 0.00 C ATOM 611 CG TYR A 39 7.271 1.829 0.896 1.00 0.00 C ATOM 612 CD1 TYR A 39 6.576 2.854 0.287 1.00 0.00 C ATOM 613 CD2 TYR A 39 8.063 0.988 0.140 1.00 0.00 C ATOM 614 CE1 TYR A 39 6.676 3.045 -1.136 1.00 0.00 C ATOM 615 CE2 TYR A 39 8.163 1.179 -1.283 1.00 0.00 C ATOM 616 CZ TYR A 39 7.465 2.199 -1.851 1.00 0.00 C ATOM 617 OH TYR A 39 7.560 2.380 -3.196 1.00 0.00 O ATOM 0 H TYR A 39 8.058 1.201 4.582 1.00 0.00 H new ATOM 0 HA TYR A 39 8.645 3.198 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.680 0.703 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.116 1.494 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.957 3.513 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.608 0.186 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.136 3.842 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.778 0.527 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 39 8.159 1.703 -3.576 1.00 0.00 H new ATOM 627 N TYR A 40 5.706 3.657 4.169 1.00 0.00 N ATOM 628 CA TYR A 40 4.646 4.631 4.363 1.00 0.00 C ATOM 629 C TYR A 40 5.172 5.882 5.069 1.00 0.00 C ATOM 630 O TYR A 40 4.758 6.997 4.756 1.00 0.00 O ATOM 631 CB TYR A 40 3.608 3.952 5.260 1.00 0.00 C ATOM 632 CG TYR A 40 2.474 3.270 4.493 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.537 3.163 3.118 1.00 0.00 C ATOM 634 CD2 TYR A 40 1.388 2.761 5.175 1.00 0.00 C ATOM 635 CE1 TYR A 40 1.469 2.521 2.396 1.00 0.00 C ATOM 636 CE2 TYR A 40 0.320 2.119 4.453 1.00 0.00 C ATOM 637 CZ TYR A 40 0.414 2.030 3.099 1.00 0.00 C ATOM 638 OH TYR A 40 -0.595 1.424 2.417 1.00 0.00 O ATOM 0 H TYR A 40 5.609 2.805 4.721 1.00 0.00 H new ATOM 0 HA TYR A 40 4.231 4.942 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.110 3.210 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.182 4.696 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.387 3.561 2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.339 2.844 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.505 2.432 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.536 1.717 4.975 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.281 1.121 3.048 1.00 0.00 H new ATOM 648 N ARG A 41 6.078 5.655 6.009 1.00 0.00 N ATOM 649 CA ARG A 41 6.666 6.750 6.763 1.00 0.00 C ATOM 650 C ARG A 41 7.724 7.465 5.921 1.00 0.00 C ATOM 651 O ARG A 41 8.106 8.594 6.226 1.00 0.00 O ATOM 652 CB ARG A 41 7.308 6.245 8.057 1.00 0.00 C ATOM 653 CG ARG A 41 7.592 7.404 9.015 1.00 0.00 C ATOM 654 CD ARG A 41 8.974 8.006 8.752 1.00 0.00 C ATOM 655 NE ARG A 41 9.908 7.619 9.833 1.00 0.00 N ATOM 656 CZ ARG A 41 10.999 8.321 10.170 1.00 0.00 C ATOM 657 NH1 ARG A 41 11.300 9.449 9.512 1.00 0.00 N ATOM 658 NH2 ARG A 41 11.790 7.894 11.164 1.00 0.00 N ATOM 0 H ARG A 41 6.419 4.729 6.266 1.00 0.00 H new ATOM 0 HA ARG A 41 5.867 7.447 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.647 5.524 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.236 5.722 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.828 8.173 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.535 7.052 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.354 7.660 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.902 9.092 8.694 1.00 0.00 H new ATOM 0 HE ARG A 41 9.709 6.765 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.699 9.774 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.130 9.983 9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.562 7.035 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.620 8.428 11.420 1.00 0.00 H new ATOM 672 N GLU A 42 8.169 6.778 4.879 1.00 0.00 N ATOM 673 CA GLU A 42 9.176 7.334 3.991 1.00 0.00 C ATOM 674 C GLU A 42 8.540 8.344 3.033 1.00 0.00 C ATOM 675 O GLU A 42 8.967 9.495 2.965 1.00 0.00 O ATOM 676 CB GLU A 42 9.898 6.227 3.220 1.00 0.00 C ATOM 677 CG GLU A 42 11.151 6.769 2.528 1.00 0.00 C ATOM 678 CD GLU A 42 11.949 5.638 1.876 1.00 0.00 C ATOM 679 OE1 GLU A 42 12.371 4.734 2.629 1.00 0.00 O ATOM 680 OE2 GLU A 42 12.119 5.704 0.639 1.00 0.00 O ATOM 0 H GLU A 42 7.851 5.842 4.630 1.00 0.00 H new ATOM 0 HA GLU A 42 9.918 7.854 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.174 5.424 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.225 5.797 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.866 7.501 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.776 7.288 3.254 1.00 0.00 H new ATOM 687 N LYS A 43 7.529 7.876 2.316 1.00 0.00 N ATOM 688 CA LYS A 43 6.830 8.723 1.365 1.00 0.00 C ATOM 689 C LYS A 43 6.000 9.759 2.126 1.00 0.00 C ATOM 690 O LYS A 43 6.166 10.961 1.926 1.00 0.00 O ATOM 691 CB LYS A 43 6.010 7.874 0.392 1.00 0.00 C ATOM 692 CG LYS A 43 6.809 7.571 -0.878 1.00 0.00 C ATOM 693 CD LYS A 43 5.877 7.257 -2.050 1.00 0.00 C ATOM 694 CE LYS A 43 6.585 7.483 -3.388 1.00 0.00 C ATOM 695 NZ LYS A 43 5.983 8.629 -4.106 1.00 0.00 N ATOM 0 H LYS A 43 7.177 6.920 2.375 1.00 0.00 H new ATOM 0 HA LYS A 43 7.542 9.273 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.719 6.941 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.091 8.399 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.439 8.425 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.474 6.726 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.539 6.223 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.990 7.887 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.645 7.669 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.513 6.584 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.475 8.769 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.977 8.437 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.074 9.488 -3.527 1.00 0.00 H new ATOM 709 N PHE A 44 5.124 9.255 2.983 1.00 0.00 N ATOM 710 CA PHE A 44 4.268 10.122 3.775 1.00 0.00 C ATOM 711 C PHE A 44 4.010 11.446 3.053 1.00 0.00 C ATOM 712 O PHE A 44 4.381 12.509 3.547 1.00 0.00 O ATOM 713 CB PHE A 44 5.006 10.404 5.085 1.00 0.00 C ATOM 714 CG PHE A 44 4.083 10.709 6.266 1.00 0.00 C ATOM 715 CD1 PHE A 44 3.480 11.924 6.363 1.00 0.00 C ATOM 716 CD2 PHE A 44 3.865 9.764 7.220 1.00 0.00 C ATOM 717 CE1 PHE A 44 2.623 12.206 7.459 1.00 0.00 C ATOM 718 CE2 PHE A 44 3.008 10.046 8.317 1.00 0.00 C ATOM 719 CZ PHE A 44 2.405 11.261 8.413 1.00 0.00 C ATOM 0 H PHE A 44 4.989 8.257 3.146 1.00 0.00 H new ATOM 0 HA PHE A 44 3.306 9.639 3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.625 9.542 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.680 11.248 4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.653 12.675 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.344 8.799 7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.144 13.171 7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.835 9.296 9.075 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.753 11.476 9.247 1.00 0.00 H new ATOM 729 N PRO A 45 3.359 11.335 1.864 1.00 0.00 N ATOM 730 CA PRO A 45 3.047 12.510 1.069 1.00 0.00 C ATOM 731 C PRO A 45 1.878 13.289 1.676 1.00 0.00 C ATOM 732 O PRO A 45 1.710 14.476 1.403 1.00 0.00 O ATOM 733 CB PRO A 45 2.746 11.976 -0.322 1.00 0.00 C ATOM 734 CG PRO A 45 2.447 10.497 -0.144 1.00 0.00 C ATOM 735 CD PRO A 45 2.904 10.092 1.248 1.00 0.00 C ATOM 0 HA PRO A 45 3.868 13.226 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.896 12.496 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.594 12.125 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.381 10.306 -0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.965 9.909 -0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.090 9.643 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.706 9.355 1.203 1.00 0.00 H new ATOM 743 N ALA A 46 1.100 12.588 2.488 1.00 0.00 N ATOM 744 CA ALA A 46 -0.049 13.198 3.136 1.00 0.00 C ATOM 745 C ALA A 46 -0.744 12.158 4.016 1.00 0.00 C ATOM 746 O ALA A 46 -1.942 11.917 3.871 1.00 0.00 O ATOM 747 CB ALA A 46 -0.983 13.782 2.074 1.00 0.00 C ATOM 0 H ALA A 46 1.243 11.603 2.712 1.00 0.00 H new ATOM 0 HA ALA A 46 0.264 14.019 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.845 14.240 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.450 14.536 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.321 12.987 1.409 1.00 0.00 H new ATOM 753 N TRP A 47 0.036 11.569 4.911 1.00 0.00 N ATOM 754 CA TRP A 47 -0.490 10.561 5.815 1.00 0.00 C ATOM 755 C TRP A 47 -1.375 11.265 6.845 1.00 0.00 C ATOM 756 O TRP A 47 -2.569 10.984 6.937 1.00 0.00 O ATOM 757 CB TRP A 47 0.642 9.752 6.452 1.00 0.00 C ATOM 758 CG TRP A 47 0.931 8.424 5.750 1.00 0.00 C ATOM 759 CD1 TRP A 47 2.113 7.949 5.336 1.00 0.00 C ATOM 760 CD2 TRP A 47 -0.035 7.412 5.393 1.00 0.00 C ATOM 761 NE1 TRP A 47 1.982 6.711 4.741 1.00 0.00 N ATOM 762 CE2 TRP A 47 0.634 6.374 4.777 1.00 0.00 C ATOM 763 CE3 TRP A 47 -1.428 7.376 5.584 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -0.008 5.224 4.302 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -2.054 6.220 5.104 1.00 0.00 C ATOM 766 CH2 TRP A 47 -1.395 5.166 4.482 1.00 0.00 C ATOM 0 H TRP A 47 1.029 11.771 5.029 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.097 9.836 5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.550 10.355 6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.391 9.553 7.494 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.052 8.470 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.735 6.147 4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.971 8.177 6.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.538 4.425 3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.124 6.141 5.225 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.951 4.306 4.139 1.00 0.00 H new ATOM 777 N GLN A 48 -0.756 12.166 7.593 1.00 0.00 N ATOM 778 CA GLN A 48 -1.474 12.912 8.612 1.00 0.00 C ATOM 779 C GLN A 48 -2.894 13.228 8.139 1.00 0.00 C ATOM 780 O GLN A 48 -3.824 13.273 8.942 1.00 0.00 O ATOM 781 CB GLN A 48 -0.723 14.192 8.985 1.00 0.00 C ATOM 782 CG GLN A 48 -1.540 15.044 9.958 1.00 0.00 C ATOM 783 CD GLN A 48 -1.581 16.506 9.507 1.00 0.00 C ATOM 784 OE1 GLN A 48 -2.421 16.917 8.724 1.00 0.00 O ATOM 785 NE2 GLN A 48 -0.629 17.264 10.044 1.00 0.00 N ATOM 0 H GLN A 48 0.235 12.396 7.514 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.540 12.294 9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.236 13.937 9.436 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.508 14.767 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.555 14.652 10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.106 14.980 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.043 16.855 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.571 18.254 9.806 1.00 0.00 H new ATOM 794 N ASN A 49 -3.016 13.437 6.836 1.00 0.00 N ATOM 795 CA ASN A 49 -4.308 13.747 6.246 1.00 0.00 C ATOM 796 C ASN A 49 -5.118 12.458 6.098 1.00 0.00 C ATOM 797 O ASN A 49 -6.232 12.359 6.610 1.00 0.00 O ATOM 798 CB ASN A 49 -4.144 14.365 4.856 1.00 0.00 C ATOM 799 CG ASN A 49 -3.075 15.460 4.865 1.00 0.00 C ATOM 800 OD1 ASN A 49 -2.520 15.683 3.678 1.00 0.00 O flip ATOM 801 ND2 ASN A 49 -2.774 16.061 5.883 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.242 13.398 6.173 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.816 14.457 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.870 13.590 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.095 14.783 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.240 15.840 6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.056 16.785 5.854 1.00 0.00 H new ATOM 808 N SER A 50 -4.527 11.502 5.396 1.00 0.00 N ATOM 809 CA SER A 50 -5.180 10.224 5.174 1.00 0.00 C ATOM 810 C SER A 50 -5.353 9.487 6.503 1.00 0.00 C ATOM 811 O SER A 50 -6.300 8.720 6.674 1.00 0.00 O ATOM 812 CB SER A 50 -4.386 9.363 4.189 1.00 0.00 C ATOM 813 OG SER A 50 -4.513 7.972 4.472 1.00 0.00 O ATOM 0 H SER A 50 -3.603 11.588 4.974 1.00 0.00 H new ATOM 0 HA SER A 50 -6.162 10.413 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.733 9.560 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.334 9.646 4.227 1.00 0.00 H new ATOM 0 HG SER A 50 -3.629 7.595 4.661 1.00 0.00 H new ATOM 819 N ILE A 51 -4.423 9.744 7.411 1.00 0.00 N ATOM 820 CA ILE A 51 -4.461 9.115 8.720 1.00 0.00 C ATOM 821 C ILE A 51 -5.659 9.652 9.506 1.00 0.00 C ATOM 822 O ILE A 51 -6.565 8.898 9.856 1.00 0.00 O ATOM 823 CB ILE A 51 -3.123 9.295 9.440 1.00 0.00 C ATOM 824 CG1 ILE A 51 -1.989 8.618 8.667 1.00 0.00 C ATOM 825 CG2 ILE A 51 -3.207 8.799 10.885 1.00 0.00 C ATOM 826 CD1 ILE A 51 -0.697 8.606 9.487 1.00 0.00 C ATOM 0 H ILE A 51 -3.638 10.379 7.266 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.602 8.039 8.621 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.896 10.360 9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.274 7.596 8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.822 9.142 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.243 8.938 11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.970 9.364 11.420 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.468 7.741 10.892 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.093 8.119 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.401 9.630 9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.861 8.060 10.416 1.00 0.00 H new ATOM 838 N ARG A 52 -5.624 10.952 9.759 1.00 0.00 N ATOM 839 CA ARG A 52 -6.696 11.600 10.497 1.00 0.00 C ATOM 840 C ARG A 52 -8.015 11.478 9.732 1.00 0.00 C ATOM 841 O ARG A 52 -9.087 11.690 10.298 1.00 0.00 O ATOM 842 CB ARG A 52 -6.386 13.079 10.734 1.00 0.00 C ATOM 843 CG ARG A 52 -5.261 13.247 11.757 1.00 0.00 C ATOM 844 CD ARG A 52 -5.296 14.640 12.388 1.00 0.00 C ATOM 845 NE ARG A 52 -3.978 15.297 12.238 1.00 0.00 N ATOM 846 CZ ARG A 52 -3.001 15.238 13.152 1.00 0.00 C ATOM 847 NH1 ARG A 52 -3.186 14.551 14.288 1.00 0.00 N ATOM 848 NH2 ARG A 52 -1.837 15.865 12.931 1.00 0.00 N ATOM 0 H ARG A 52 -4.871 11.574 9.466 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.784 11.101 11.462 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.100 13.549 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.282 13.590 11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.356 12.489 12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.298 13.088 11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.069 15.244 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.555 14.564 13.444 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.803 15.828 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.071 14.073 14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.442 14.506 14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.695 16.387 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.093 15.820 13.627 1.00 0.00 H new ATOM 862 N HIS A 53 -7.894 11.138 8.457 1.00 0.00 N ATOM 863 CA HIS A 53 -9.064 10.986 7.609 1.00 0.00 C ATOM 864 C HIS A 53 -9.694 9.612 7.845 1.00 0.00 C ATOM 865 O HIS A 53 -10.882 9.513 8.148 1.00 0.00 O ATOM 866 CB HIS A 53 -8.707 11.231 6.142 1.00 0.00 C ATOM 867 CG HIS A 53 -9.823 10.912 5.176 1.00 0.00 C ATOM 868 ND1 HIS A 53 -10.176 9.737 4.579 1.00 0.00 N flip ATOM 869 CD2 HIS A 53 -10.722 11.864 4.728 1.00 0.00 C flip ATOM 870 CE1 HIS A 53 -11.233 9.960 3.808 1.00 0.00 C flip ATOM 871 NE2 HIS A 53 -11.573 11.278 3.898 1.00 0.00 N flip ATOM 0 H HIS A 53 -7.004 10.964 7.991 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.808 11.738 7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.421 12.275 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.835 10.629 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.729 12.907 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.741 9.219 3.208 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.346 11.733 3.412 1.00 0.00 H new ATOM 879 N ASN A 54 -8.869 8.586 7.696 1.00 0.00 N ATOM 880 CA ASN A 54 -9.331 7.221 7.889 1.00 0.00 C ATOM 881 C ASN A 54 -9.600 6.984 9.376 1.00 0.00 C ATOM 882 O ASN A 54 -10.389 6.111 9.736 1.00 0.00 O ATOM 883 CB ASN A 54 -8.274 6.213 7.433 1.00 0.00 C ATOM 884 CG ASN A 54 -7.901 6.435 5.966 1.00 0.00 C ATOM 885 OD1 ASN A 54 -6.750 6.634 5.614 1.00 0.00 O ATOM 886 ND2 ASN A 54 -8.936 6.390 5.132 1.00 0.00 N ATOM 0 H ASN A 54 -7.884 8.672 7.444 1.00 0.00 H new ATOM 0 HA ASN A 54 -10.238 7.085 7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.385 6.306 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.652 5.199 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.791 6.526 4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.875 6.219 5.493 1.00 0.00 H new ATOM 893 N LEU A 55 -8.930 7.776 10.200 1.00 0.00 N ATOM 894 CA LEU A 55 -9.087 7.663 11.640 1.00 0.00 C ATOM 895 C LEU A 55 -10.347 8.415 12.072 1.00 0.00 C ATOM 896 O LEU A 55 -11.278 7.817 12.610 1.00 0.00 O ATOM 897 CB LEU A 55 -7.817 8.129 12.356 1.00 0.00 C ATOM 898 CG LEU A 55 -7.205 7.138 13.348 1.00 0.00 C ATOM 899 CD1 LEU A 55 -5.967 7.733 14.022 1.00 0.00 C ATOM 900 CD2 LEU A 55 -8.244 6.671 14.369 1.00 0.00 C ATOM 0 H LEU A 55 -8.277 8.499 9.898 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.223 6.620 11.927 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.066 8.369 11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.042 9.053 12.888 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.880 6.257 12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.551 7.009 14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.221 7.975 13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.246 8.639 14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.783 5.967 15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.622 7.531 14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.069 6.182 13.851 1.00 0.00 H new ATOM 912 N SER A 56 -10.337 9.716 11.819 1.00 0.00 N ATOM 913 CA SER A 56 -11.468 10.555 12.175 1.00 0.00 C ATOM 914 C SER A 56 -12.656 10.249 11.260 1.00 0.00 C ATOM 915 O SER A 56 -13.766 10.016 11.736 1.00 0.00 O ATOM 916 CB SER A 56 -11.102 12.038 12.090 1.00 0.00 C ATOM 917 OG SER A 56 -11.345 12.575 10.792 1.00 0.00 O ATOM 0 H SER A 56 -9.564 10.209 11.372 1.00 0.00 H new ATOM 0 HA SER A 56 -11.745 10.335 13.206 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.679 12.597 12.827 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.050 12.167 12.344 1.00 0.00 H new ATOM 0 HG SER A 56 -10.613 12.322 10.191 1.00 0.00 H new ATOM 923 N LEU A 57 -12.382 10.259 9.964 1.00 0.00 N ATOM 924 CA LEU A 57 -13.414 9.985 8.979 1.00 0.00 C ATOM 925 C LEU A 57 -13.594 8.472 8.843 1.00 0.00 C ATOM 926 O LEU A 57 -12.976 7.844 7.984 1.00 0.00 O ATOM 927 CB LEU A 57 -13.093 10.687 7.658 1.00 0.00 C ATOM 928 CG LEU A 57 -14.165 11.642 7.129 1.00 0.00 C ATOM 929 CD1 LEU A 57 -13.730 13.100 7.291 1.00 0.00 C ATOM 930 CD2 LEU A 57 -14.528 11.310 5.680 1.00 0.00 C ATOM 0 H LEU A 57 -11.460 10.453 9.573 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.371 10.392 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.166 11.246 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.907 9.926 6.901 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.067 11.507 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.510 13.757 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.562 13.314 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.808 13.268 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -15.292 12.003 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.641 11.399 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.910 10.291 5.625 1.00 0.00 H new ATOM 942 N ASN A 58 -14.443 7.929 9.703 1.00 0.00 N ATOM 943 CA ASN A 58 -14.712 6.501 9.689 1.00 0.00 C ATOM 944 C ASN A 58 -15.164 6.059 11.082 1.00 0.00 C ATOM 945 O ASN A 58 -16.258 5.520 11.242 1.00 0.00 O ATOM 946 CB ASN A 58 -13.456 5.707 9.325 1.00 0.00 C ATOM 947 CG ASN A 58 -13.449 5.344 7.838 1.00 0.00 C ATOM 948 OD1 ASN A 58 -12.476 5.538 7.130 1.00 0.00 O ATOM 949 ND2 ASN A 58 -14.587 4.807 7.408 1.00 0.00 N ATOM 0 H ASN A 58 -14.954 8.452 10.414 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.486 6.311 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.569 6.293 9.564 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.409 4.798 9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.683 4.530 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.364 4.672 8.055 1.00 0.00 H new ATOM 956 N ASP A 59 -14.298 6.303 12.055 1.00 0.00 N ATOM 957 CA ASP A 59 -14.595 5.936 13.430 1.00 0.00 C ATOM 958 C ASP A 59 -15.733 6.813 13.953 1.00 0.00 C ATOM 959 O ASP A 59 -16.833 6.324 14.207 1.00 0.00 O ATOM 960 CB ASP A 59 -13.378 6.152 14.332 1.00 0.00 C ATOM 961 CG ASP A 59 -12.243 5.144 14.139 1.00 0.00 C ATOM 962 OD1 ASP A 59 -11.437 5.368 13.210 1.00 0.00 O ATOM 963 OD2 ASP A 59 -12.206 4.174 14.925 1.00 0.00 O ATOM 0 H ASP A 59 -13.391 6.750 11.919 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.873 4.882 13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.987 7.154 14.156 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.704 6.115 15.371 1.00 0.00 H new ATOM 968 N CYS A 60 -15.431 8.095 14.099 1.00 0.00 N ATOM 969 CA CYS A 60 -16.415 9.046 14.588 1.00 0.00 C ATOM 970 C CYS A 60 -16.201 9.228 16.092 1.00 0.00 C ATOM 971 O CYS A 60 -17.119 9.018 16.883 1.00 0.00 O ATOM 972 CB CYS A 60 -17.842 8.598 14.265 1.00 0.00 C ATOM 973 SG CYS A 60 -18.965 10.043 14.263 1.00 0.00 S ATOM 0 H CYS A 60 -14.518 8.498 13.887 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.281 10.004 14.085 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -17.866 8.106 13.292 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -18.178 7.867 15.000 1.00 0.00 H new ATOM 0 HG CYS A 60 -20.174 9.653 13.986 1.00 0.00 H new ATOM 979 N PHE A 61 -14.984 9.617 16.441 1.00 0.00 N ATOM 980 CA PHE A 61 -14.638 9.831 17.836 1.00 0.00 C ATOM 981 C PHE A 61 -14.247 11.288 18.087 1.00 0.00 C ATOM 982 O PHE A 61 -14.475 12.151 17.240 1.00 0.00 O ATOM 983 CB PHE A 61 -13.437 8.933 18.141 1.00 0.00 C ATOM 984 CG PHE A 61 -12.392 8.891 17.025 1.00 0.00 C ATOM 985 CD1 PHE A 61 -11.845 10.046 16.561 1.00 0.00 C ATOM 986 CD2 PHE A 61 -12.010 7.697 16.496 1.00 0.00 C ATOM 987 CE1 PHE A 61 -10.875 10.007 15.525 1.00 0.00 C ATOM 988 CE2 PHE A 61 -11.040 7.658 15.460 1.00 0.00 C ATOM 989 CZ PHE A 61 -10.493 8.813 14.996 1.00 0.00 C ATOM 0 H PHE A 61 -14.225 9.790 15.782 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.493 9.598 18.471 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -12.961 9.280 19.058 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -13.793 7.920 18.330 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -12.149 10.994 16.981 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -12.444 6.779 16.864 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.441 10.925 15.157 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.736 6.710 15.040 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.755 8.783 14.208 1.00 0.00 H new ATOM 999 N VAL A 62 -13.664 11.519 19.255 1.00 0.00 N ATOM 1000 CA VAL A 62 -13.239 12.857 19.628 1.00 0.00 C ATOM 1001 C VAL A 62 -11.727 12.862 19.858 1.00 0.00 C ATOM 1002 O VAL A 62 -11.178 11.917 20.423 1.00 0.00 O ATOM 1003 CB VAL A 62 -14.030 13.336 20.847 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -15.533 13.336 20.560 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -13.707 12.488 22.079 1.00 0.00 C ATOM 0 H VAL A 62 -13.476 10.801 19.955 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.448 13.562 18.823 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.729 14.362 21.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -16.072 13.681 21.443 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -15.744 14.002 19.723 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.856 12.325 20.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -14.283 12.850 22.931 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.965 11.447 21.882 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.643 12.562 22.303 1.00 0.00 H new ATOM 1015 N LYS A 63 -11.095 13.936 19.407 1.00 0.00 N ATOM 1016 CA LYS A 63 -9.657 14.076 19.556 1.00 0.00 C ATOM 1017 C LYS A 63 -9.341 15.456 20.137 1.00 0.00 C ATOM 1018 O LYS A 63 -10.224 16.304 20.246 1.00 0.00 O ATOM 1019 CB LYS A 63 -8.950 13.790 18.229 1.00 0.00 C ATOM 1020 CG LYS A 63 -9.241 14.890 17.206 1.00 0.00 C ATOM 1021 CD LYS A 63 -9.411 14.303 15.803 1.00 0.00 C ATOM 1022 CE LYS A 63 -10.853 14.456 15.316 1.00 0.00 C ATOM 1023 NZ LYS A 63 -10.891 14.591 13.843 1.00 0.00 N ATOM 0 H LYS A 63 -11.553 14.717 18.938 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.273 13.338 20.260 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.875 13.716 18.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.279 12.828 17.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.146 15.427 17.491 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.427 15.615 17.205 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.734 14.804 15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.136 13.248 15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.440 13.591 15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.309 15.331 15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.834 14.324 13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.691 15.577 13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.175 13.967 13.419 1.00 0.00 H new ATOM 1037 N ILE A 64 -8.078 15.637 20.493 1.00 0.00 N ATOM 1038 CA ILE A 64 -7.634 16.899 21.060 1.00 0.00 C ATOM 1039 C ILE A 64 -6.580 17.523 20.142 1.00 0.00 C ATOM 1040 O ILE A 64 -5.622 16.859 19.751 1.00 0.00 O ATOM 1041 CB ILE A 64 -7.155 16.702 22.500 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -7.204 18.017 23.279 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -5.764 16.067 22.533 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -7.351 17.760 24.780 1.00 0.00 C ATOM 0 H ILE A 64 -7.348 14.931 20.400 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.464 17.603 21.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.836 16.010 22.995 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.295 18.589 23.092 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.040 18.622 22.926 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.447 15.938 23.568 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.796 15.096 22.040 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.056 16.714 22.015 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.383 18.712 25.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.273 17.209 24.966 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.502 17.176 25.134 1.00 0.00 H new ATOM 1056 N PRO A 65 -6.800 18.825 19.817 1.00 0.00 N ATOM 1057 CA PRO A 65 -5.881 19.546 18.953 1.00 0.00 C ATOM 1058 C PRO A 65 -4.598 19.913 19.701 1.00 0.00 C ATOM 1059 O PRO A 65 -4.301 19.342 20.750 1.00 0.00 O ATOM 1060 CB PRO A 65 -6.659 20.762 18.478 1.00 0.00 C ATOM 1061 CG PRO A 65 -7.815 20.924 19.452 1.00 0.00 C ATOM 1062 CD PRO A 65 -7.924 19.643 20.262 1.00 0.00 C ATOM 0 HA PRO A 65 -5.545 18.948 18.106 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.028 21.651 18.470 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.023 20.620 17.460 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.645 21.777 20.108 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.743 21.116 18.914 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.867 19.845 21.332 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.875 19.141 20.082 1.00 0.00 H new ATOM 1070 N ARG A 66 -3.871 20.864 19.134 1.00 0.00 N ATOM 1071 CA ARG A 66 -2.627 21.314 19.734 1.00 0.00 C ATOM 1072 C ARG A 66 -2.854 21.706 21.195 1.00 0.00 C ATOM 1073 O ARG A 66 -3.257 22.831 21.484 1.00 0.00 O ATOM 1074 CB ARG A 66 -2.050 22.511 18.976 1.00 0.00 C ATOM 1075 CG ARG A 66 -3.121 23.579 18.741 1.00 0.00 C ATOM 1076 CD ARG A 66 -3.734 23.442 17.346 1.00 0.00 C ATOM 1077 NE ARG A 66 -5.209 23.545 17.428 1.00 0.00 N ATOM 1078 CZ ARG A 66 -6.050 23.018 16.528 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -5.568 22.349 15.472 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -7.373 23.160 16.684 1.00 0.00 N ATOM 0 H ARG A 66 -4.120 21.336 18.265 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.917 20.489 19.681 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.222 22.939 19.541 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.645 22.180 18.020 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.902 23.488 19.496 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.682 24.570 18.854 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.343 24.220 16.690 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.452 22.484 16.908 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.610 24.049 18.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.561 22.241 15.353 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.208 21.948 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.740 23.669 17.488 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.013 22.759 15.999 1.00 0.00 H new ATOM 1094 N GLU A 67 -2.585 20.756 22.078 1.00 0.00 N ATOM 1095 CA GLU A 67 -2.754 20.987 23.503 1.00 0.00 C ATOM 1096 C GLU A 67 -1.551 21.748 24.064 1.00 0.00 C ATOM 1097 O GLU A 67 -0.521 21.863 23.402 1.00 0.00 O ATOM 1098 CB GLU A 67 -2.968 19.670 24.251 1.00 0.00 C ATOM 1099 CG GLU A 67 -4.458 19.384 24.443 1.00 0.00 C ATOM 1100 CD GLU A 67 -4.892 19.678 25.881 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -4.778 18.749 26.709 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -5.329 20.825 26.118 1.00 0.00 O ATOM 0 H GLU A 67 -2.251 19.824 21.834 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.645 21.598 23.649 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.506 18.853 23.696 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.475 19.715 25.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.041 19.993 23.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.666 18.341 24.203 1.00 0.00 H new ATOM 1109 N PRO A 68 -1.727 22.262 25.311 1.00 0.00 N ATOM 1110 CA PRO A 68 -0.668 23.009 25.968 1.00 0.00 C ATOM 1111 C PRO A 68 0.432 22.073 26.472 1.00 0.00 C ATOM 1112 O PRO A 68 0.771 22.086 27.654 1.00 0.00 O ATOM 1113 CB PRO A 68 -1.360 23.769 27.089 1.00 0.00 C ATOM 1114 CG PRO A 68 -2.689 23.066 27.310 1.00 0.00 C ATOM 1115 CD PRO A 68 -2.934 22.146 26.124 1.00 0.00 C ATOM 0 HA PRO A 68 -0.158 23.697 25.293 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.757 23.760 27.997 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.511 24.814 26.817 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.669 22.495 28.238 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.495 23.794 27.401 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.097 21.118 26.447 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.819 22.448 25.564 1.00 0.00 H new ATOM 1123 N GLY A 69 0.960 21.282 25.549 1.00 0.00 N ATOM 1124 CA GLY A 69 2.015 20.341 25.884 1.00 0.00 C ATOM 1125 C GLY A 69 2.268 19.367 24.731 1.00 0.00 C ATOM 1126 O GLY A 69 2.233 18.152 24.921 1.00 0.00 O ATOM 0 H GLY A 69 0.677 21.274 24.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.932 20.884 26.114 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.740 19.785 26.781 1.00 0.00 H new ATOM 1130 N ASN A 70 2.516 19.937 23.561 1.00 0.00 N ATOM 1131 CA ASN A 70 2.775 19.134 22.378 1.00 0.00 C ATOM 1132 C ASN A 70 4.211 19.372 21.909 1.00 0.00 C ATOM 1133 O ASN A 70 4.459 20.231 21.064 1.00 0.00 O ATOM 1134 CB ASN A 70 1.834 19.520 21.234 1.00 0.00 C ATOM 1135 CG ASN A 70 1.113 18.291 20.678 1.00 0.00 C ATOM 1136 OD1 ASN A 70 1.692 17.447 20.015 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -0.180 18.238 20.986 1.00 0.00 N ATOM 0 H ASN A 70 2.543 20.945 23.407 1.00 0.00 H new ATOM 0 HA ASN A 70 2.616 18.088 22.639 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.102 20.245 21.590 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.402 20.003 20.439 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.750 17.456 20.663 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.602 18.979 21.546 1.00 0.00 H new ATOM 1144 N PRO A 71 5.146 18.575 22.493 1.00 0.00 N ATOM 1145 CA PRO A 71 6.552 18.691 22.145 1.00 0.00 C ATOM 1146 C PRO A 71 6.829 18.070 20.774 1.00 0.00 C ATOM 1147 O PRO A 71 7.719 17.232 20.637 1.00 0.00 O ATOM 1148 CB PRO A 71 7.295 17.995 23.273 1.00 0.00 C ATOM 1149 CG PRO A 71 6.269 17.116 23.969 1.00 0.00 C ATOM 1150 CD PRO A 71 4.890 17.547 23.498 1.00 0.00 C ATOM 0 HA PRO A 71 6.879 19.727 22.051 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.122 17.399 22.887 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.722 18.721 23.966 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.442 16.066 23.732 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.351 17.217 25.051 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.336 16.709 23.075 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.294 17.939 24.323 1.00 0.00 H new ATOM 1158 N GLY A 72 6.051 18.506 19.794 1.00 0.00 N ATOM 1159 CA GLY A 72 6.202 18.004 18.439 1.00 0.00 C ATOM 1160 C GLY A 72 5.121 16.971 18.113 1.00 0.00 C ATOM 1161 O GLY A 72 4.425 17.092 17.106 1.00 0.00 O ATOM 0 H GLY A 72 5.314 19.201 19.912 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.144 18.832 17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.188 17.553 18.322 1.00 0.00 H new ATOM 1165 N LYS A 73 5.014 15.979 18.985 1.00 0.00 N ATOM 1166 CA LYS A 73 4.030 14.926 18.802 1.00 0.00 C ATOM 1167 C LYS A 73 3.506 14.482 20.169 1.00 0.00 C ATOM 1168 O LYS A 73 3.774 13.364 20.608 1.00 0.00 O ATOM 1169 CB LYS A 73 4.615 13.785 17.967 1.00 0.00 C ATOM 1170 CG LYS A 73 4.287 13.967 16.484 1.00 0.00 C ATOM 1171 CD LYS A 73 5.508 13.666 15.612 1.00 0.00 C ATOM 1172 CE LYS A 73 6.460 14.863 15.571 1.00 0.00 C ATOM 1173 NZ LYS A 73 7.668 14.592 16.383 1.00 0.00 N ATOM 0 H LYS A 73 5.592 15.882 19.820 1.00 0.00 H new ATOM 0 HA LYS A 73 3.175 15.297 18.237 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.696 13.748 18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.217 12.832 18.317 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.465 13.307 16.206 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.950 14.988 16.305 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.032 12.793 16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.185 13.419 14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.747 15.072 14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.953 15.752 15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.434 15.231 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.453 14.749 17.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.967 13.606 16.243 1.00 0.00 H new ATOM 1187 N GLY A 74 2.769 15.380 20.805 1.00 0.00 N ATOM 1188 CA GLY A 74 2.204 15.095 22.114 1.00 0.00 C ATOM 1189 C GLY A 74 0.722 15.470 22.165 1.00 0.00 C ATOM 1190 O GLY A 74 0.358 16.499 22.732 1.00 0.00 O ATOM 0 H GLY A 74 2.549 16.306 20.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.323 14.036 22.343 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.749 15.649 22.878 1.00 0.00 H new ATOM 1194 N ASN A 75 -0.093 14.615 21.566 1.00 0.00 N ATOM 1195 CA ASN A 75 -1.528 14.844 21.537 1.00 0.00 C ATOM 1196 C ASN A 75 -2.244 13.646 22.165 1.00 0.00 C ATOM 1197 O ASN A 75 -1.602 12.686 22.587 1.00 0.00 O ATOM 1198 CB ASN A 75 -2.032 14.996 20.101 1.00 0.00 C ATOM 1199 CG ASN A 75 -1.399 13.948 19.183 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -0.705 13.044 19.617 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -1.677 14.119 17.894 1.00 0.00 N ATOM 0 H ASN A 75 0.213 13.762 21.097 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.735 15.760 22.091 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.117 14.895 20.080 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.798 15.995 19.734 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.302 13.471 17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.265 14.898 17.598 1.00 0.00 H new ATOM 1208 N TYR A 76 -3.565 13.743 22.207 1.00 0.00 N ATOM 1209 CA TYR A 76 -4.375 12.680 22.776 1.00 0.00 C ATOM 1210 C TYR A 76 -5.679 12.505 21.994 1.00 0.00 C ATOM 1211 O TYR A 76 -6.286 13.485 21.567 1.00 0.00 O ATOM 1212 CB TYR A 76 -4.706 13.120 24.204 1.00 0.00 C ATOM 1213 CG TYR A 76 -3.663 14.051 24.825 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -2.370 13.608 25.018 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -4.015 15.333 25.194 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -1.389 14.484 25.603 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -3.034 16.209 25.779 1.00 0.00 C ATOM 1218 CZ TYR A 76 -1.769 15.742 25.954 1.00 0.00 C ATOM 1219 OH TYR A 76 -0.842 16.569 26.507 1.00 0.00 O ATOM 0 H TYR A 76 -4.094 14.541 21.856 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.840 11.731 22.744 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.673 13.623 24.203 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.808 12.235 24.832 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.094 12.604 24.730 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.027 15.679 25.044 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.374 14.150 25.760 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.297 17.215 26.072 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.254 17.435 26.706 1.00 0.00 H new ATOM 1229 N TRP A 77 -6.070 11.250 21.831 1.00 0.00 N ATOM 1230 CA TRP A 77 -7.290 10.934 21.108 1.00 0.00 C ATOM 1231 C TRP A 77 -8.163 10.061 22.012 1.00 0.00 C ATOM 1232 O TRP A 77 -7.650 9.333 22.861 1.00 0.00 O ATOM 1233 CB TRP A 77 -6.975 10.275 19.763 1.00 0.00 C ATOM 1234 CG TRP A 77 -6.513 11.254 18.683 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -5.736 12.337 18.829 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -6.830 11.196 17.276 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -5.532 12.978 17.624 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -6.218 12.262 16.650 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -7.609 10.273 16.557 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -6.321 12.506 15.275 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -7.703 10.530 15.184 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -7.092 11.599 14.539 1.00 0.00 C ATOM 0 H TRP A 77 -5.563 10.440 22.187 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.841 11.843 20.865 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.201 9.522 19.912 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.864 9.753 19.409 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.322 12.666 19.771 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -4.979 13.822 17.475 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.097 9.432 17.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.832 13.348 14.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.291 9.851 14.585 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -7.212 11.729 13.474 1.00 0.00 H new ATOM 1253 N THR A 78 -9.467 10.164 21.799 1.00 0.00 N ATOM 1254 CA THR A 78 -10.416 9.393 22.584 1.00 0.00 C ATOM 1255 C THR A 78 -11.538 8.861 21.691 1.00 0.00 C ATOM 1256 O THR A 78 -12.200 9.629 20.995 1.00 0.00 O ATOM 1257 CB THR A 78 -10.916 10.280 23.726 1.00 0.00 C ATOM 1258 OG1 THR A 78 -9.759 10.499 24.528 1.00 0.00 O ATOM 1259 CG2 THR A 78 -11.882 9.546 24.657 1.00 0.00 C ATOM 0 H THR A 78 -9.888 10.769 21.094 1.00 0.00 H new ATOM 0 HA THR A 78 -9.945 8.512 23.020 1.00 0.00 H new ATOM 0 HB THR A 78 -11.409 11.160 23.313 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.993 11.067 25.291 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.206 10.220 25.450 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.749 9.209 24.089 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.380 8.684 25.097 1.00 0.00 H new ATOM 1267 N LEU A 79 -11.719 7.549 21.741 1.00 0.00 N ATOM 1268 CA LEU A 79 -12.750 6.905 20.945 1.00 0.00 C ATOM 1269 C LEU A 79 -13.801 6.297 21.876 1.00 0.00 C ATOM 1270 O LEU A 79 -13.501 5.959 23.020 1.00 0.00 O ATOM 1271 CB LEU A 79 -12.128 5.896 19.978 1.00 0.00 C ATOM 1272 CG LEU A 79 -13.095 4.899 19.335 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -12.754 4.679 17.859 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -13.130 3.585 20.118 1.00 0.00 C ATOM 0 H LEU A 79 -11.169 6.915 22.320 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.262 7.637 20.320 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.624 6.447 19.184 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.361 5.335 20.513 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.099 5.323 19.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.456 3.966 17.426 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.822 5.627 17.325 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.740 4.287 17.774 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.825 2.895 19.640 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.133 3.144 20.133 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.457 3.779 21.140 1.00 0.00 H new ATOM 1286 N ASP A 80 -15.011 6.177 21.351 1.00 0.00 N ATOM 1287 CA ASP A 80 -16.109 5.616 22.120 1.00 0.00 C ATOM 1288 C ASP A 80 -15.909 4.105 22.259 1.00 0.00 C ATOM 1289 O ASP A 80 -15.327 3.469 21.381 1.00 0.00 O ATOM 1290 CB ASP A 80 -17.449 5.853 21.422 1.00 0.00 C ATOM 1291 CG ASP A 80 -18.393 6.816 22.146 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -17.914 7.475 23.094 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -19.573 6.870 21.736 1.00 0.00 O ATOM 0 H ASP A 80 -15.256 6.459 20.402 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.120 6.102 23.095 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.257 6.240 20.421 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.954 4.894 21.302 1.00 0.00 H new ATOM 1298 N PRO A 81 -16.416 3.560 23.397 1.00 0.00 N ATOM 1299 CA PRO A 81 -16.299 2.136 23.661 1.00 0.00 C ATOM 1300 C PRO A 81 -17.279 1.336 22.800 1.00 0.00 C ATOM 1301 O PRO A 81 -18.290 0.843 23.299 1.00 0.00 O ATOM 1302 CB PRO A 81 -16.561 1.990 25.151 1.00 0.00 C ATOM 1303 CG PRO A 81 -17.269 3.265 25.577 1.00 0.00 C ATOM 1304 CD PRO A 81 -17.111 4.282 24.458 1.00 0.00 C ATOM 0 HA PRO A 81 -15.317 1.739 23.402 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.177 1.114 25.355 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.629 1.859 25.700 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -18.324 3.070 25.769 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.842 3.648 26.504 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.079 4.650 24.118 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.538 5.149 24.788 1.00 0.00 H new ATOM 1312 N GLN A 82 -16.947 1.233 21.522 1.00 0.00 N ATOM 1313 CA GLN A 82 -17.785 0.502 20.587 1.00 0.00 C ATOM 1314 C GLN A 82 -17.145 0.489 19.198 1.00 0.00 C ATOM 1315 O GLN A 82 -17.844 0.548 18.187 1.00 0.00 O ATOM 1316 CB GLN A 82 -19.195 1.094 20.536 1.00 0.00 C ATOM 1317 CG GLN A 82 -19.160 2.553 20.078 1.00 0.00 C ATOM 1318 CD GLN A 82 -19.841 2.717 18.717 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -20.070 1.765 17.990 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -20.151 3.975 18.416 1.00 0.00 N ATOM 0 H GLN A 82 -16.108 1.644 21.112 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.871 -0.527 20.935 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.814 0.510 19.855 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -19.656 1.029 21.521 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -19.658 3.182 20.816 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -18.126 2.893 20.015 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -19.931 4.725 19.071 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -20.609 4.189 17.530 1.00 0.00 H new ATOM 1329 N SER A 83 -15.822 0.412 19.191 1.00 0.00 N ATOM 1330 CA SER A 83 -15.079 0.391 17.943 1.00 0.00 C ATOM 1331 C SER A 83 -15.267 -0.957 17.245 1.00 0.00 C ATOM 1332 O SER A 83 -15.669 -1.009 16.084 1.00 0.00 O ATOM 1333 CB SER A 83 -13.593 0.664 18.181 1.00 0.00 C ATOM 1334 OG SER A 83 -12.793 0.268 17.070 1.00 0.00 O ATOM 0 H SER A 83 -15.245 0.363 20.031 1.00 0.00 H new ATOM 0 HA SER A 83 -15.467 1.182 17.301 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.446 1.727 18.373 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.265 0.130 19.073 1.00 0.00 H new ATOM 0 HG SER A 83 -11.904 0.002 17.385 1.00 0.00 H new ATOM 1340 N GLU A 84 -14.966 -2.016 17.983 1.00 0.00 N ATOM 1341 CA GLU A 84 -15.096 -3.361 17.449 1.00 0.00 C ATOM 1342 C GLU A 84 -16.531 -3.609 16.979 1.00 0.00 C ATOM 1343 O GLU A 84 -16.767 -4.449 16.111 1.00 0.00 O ATOM 1344 CB GLU A 84 -14.670 -4.405 18.484 1.00 0.00 C ATOM 1345 CG GLU A 84 -15.578 -4.359 19.715 1.00 0.00 C ATOM 1346 CD GLU A 84 -14.925 -5.065 20.904 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -13.830 -4.612 21.303 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -15.536 -6.043 21.389 1.00 0.00 O ATOM 0 H GLU A 84 -14.633 -1.970 18.946 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.432 -3.456 16.590 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.705 -5.399 18.039 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.637 -4.226 18.783 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.791 -3.322 19.975 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.532 -4.833 19.485 1.00 0.00 H new ATOM 1355 N ASP A 85 -17.451 -2.863 17.572 1.00 0.00 N ATOM 1356 CA ASP A 85 -18.856 -2.991 17.224 1.00 0.00 C ATOM 1357 C ASP A 85 -19.086 -2.414 15.826 1.00 0.00 C ATOM 1358 O ASP A 85 -19.705 -3.057 14.979 1.00 0.00 O ATOM 1359 CB ASP A 85 -19.739 -2.218 18.206 1.00 0.00 C ATOM 1360 CG ASP A 85 -21.245 -2.413 18.013 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -21.610 -3.436 17.395 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -21.996 -1.534 18.488 1.00 0.00 O ATOM 0 H ASP A 85 -17.251 -2.168 18.291 1.00 0.00 H new ATOM 0 HA ASP A 85 -19.117 -4.049 17.260 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.476 -2.517 19.221 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.511 -1.156 18.118 1.00 0.00 H new ATOM 1367 N MET A 86 -18.575 -1.208 15.627 1.00 0.00 N ATOM 1368 CA MET A 86 -18.717 -0.537 14.346 1.00 0.00 C ATOM 1369 C MET A 86 -17.818 -1.181 13.288 1.00 0.00 C ATOM 1370 O MET A 86 -18.063 -1.038 12.091 1.00 0.00 O ATOM 1371 CB MET A 86 -18.347 0.940 14.500 1.00 0.00 C ATOM 1372 CG MET A 86 -16.852 1.105 14.780 1.00 0.00 C ATOM 1373 SD MET A 86 -16.235 2.565 13.959 1.00 0.00 S ATOM 1374 CE MET A 86 -14.489 2.389 14.286 1.00 0.00 C ATOM 0 H MET A 86 -18.062 -0.678 16.331 1.00 0.00 H new ATOM 0 HA MET A 86 -19.753 -0.629 14.021 1.00 0.00 H new ATOM 0 HB2 MET A 86 -18.612 1.482 13.592 1.00 0.00 H new ATOM 0 HB3 MET A 86 -18.924 1.380 15.314 1.00 0.00 H new ATOM 0 HG2 MET A 86 -16.681 1.182 15.854 1.00 0.00 H new ATOM 0 HG3 MET A 86 -16.309 0.226 14.433 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.926 2.591 13.375 1.00 0.00 H new ATOM 0 HE2 MET A 86 -14.191 3.096 15.060 1.00 0.00 H new ATOM 0 HE3 MET A 86 -14.283 1.373 14.623 1.00 0.00 H new ATOM 1384 N PHE A 87 -16.797 -1.876 13.767 1.00 0.00 N ATOM 1385 CA PHE A 87 -15.862 -2.542 12.878 1.00 0.00 C ATOM 1386 C PHE A 87 -16.052 -4.059 12.918 1.00 0.00 C ATOM 1387 O PHE A 87 -15.089 -4.813 12.783 1.00 0.00 O ATOM 1388 CB PHE A 87 -14.454 -2.203 13.373 1.00 0.00 C ATOM 1389 CG PHE A 87 -13.738 -1.142 12.535 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -13.760 -1.219 11.177 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -13.080 -0.122 13.148 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -13.095 -0.235 10.399 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -12.415 0.863 12.370 1.00 0.00 C ATOM 1394 CZ PHE A 87 -12.436 0.785 11.012 1.00 0.00 C ATOM 0 H PHE A 87 -16.597 -1.992 14.760 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.024 -2.210 11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.516 -1.855 14.404 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.853 -3.113 13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.283 -2.029 10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -13.063 -0.061 14.226 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.112 -0.296 9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -11.893 1.674 12.856 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.929 1.533 10.420 1.00 0.00 H new