USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 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 -116:sc= -0.0877 (180deg=-0.395) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -3.05! C(o=-7.1!,f=-7.1!) USER MOD Set 2.2: A 54 ASN : amide:sc= -4.08! C(o=-7.1!,f=-13!) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -5.96! C(o=-12!,f=-12!) USER MOD Set 3.2: A 49 ASN : amide:sc= -5.59! C(o=-12!,f=-21!) USER MOD Set 4.1: A 27 SER OG : rot 120:sc= 0.304 USER MOD Set 4.2: A 75 ASN : amide:sc= -1.89 K(o=-1.6,f=-8.2!) USER MOD Set 5.1: A 18 GLN : amide:sc= -0.559 K(o=-2.3,f=-5.4!) USER MOD Set 5.2: A 19 SER OG : rot 44:sc= -1.74! USER MOD Single : A 7 SER OG : rot 28:sc= 0.533 USER MOD Single : A 8 TYR OH : rot -100:sc= -0.848! USER MOD Single : A 13 THR OG1 : rot -36:sc= -0.35 USER MOD Single : A 14 MET CE :methyl -129:sc= -0.052 (180deg=-1.55!) USER MOD Single : A 21 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 30 CYS SG : rot 89:sc= -0.845 USER MOD Single : A 34 SER OG : rot -104:sc= 0.236 USER MOD Single : A 35 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.8) 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 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.373 USER MOD Single : A 58 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= -0.458 (180deg=-2.55!) USER MOD Single : A 70 ASN : amide:sc= -8.92! C(o=-8.9!,f=-18!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00442 X(o=-0.0044,f=-0.00031) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 13.223 8.477 2.673 1.00 0.00 N ATOM 89 CA SER A 7 13.806 9.804 2.781 1.00 0.00 C ATOM 90 C SER A 7 13.900 10.449 1.396 1.00 0.00 C ATOM 91 O SER A 7 14.569 9.923 0.508 1.00 0.00 O ATOM 92 CB SER A 7 15.187 9.748 3.435 1.00 0.00 C ATOM 93 OG SER A 7 16.109 8.976 2.671 1.00 0.00 O ATOM 0 HA SER A 7 13.159 10.411 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.573 10.760 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.098 9.322 4.434 1.00 0.00 H new ATOM 0 HG SER A 7 15.858 9.009 1.724 1.00 0.00 H new ATOM 99 N TYR A 8 13.221 11.577 1.256 1.00 0.00 N ATOM 100 CA TYR A 8 13.220 12.299 -0.005 1.00 0.00 C ATOM 101 C TYR A 8 14.480 13.154 -0.148 1.00 0.00 C ATOM 102 O TYR A 8 14.973 13.359 -1.256 1.00 0.00 O ATOM 103 CB TYR A 8 11.996 13.217 0.036 1.00 0.00 C ATOM 104 CG TYR A 8 10.678 12.512 -0.292 1.00 0.00 C ATOM 105 CD1 TYR A 8 10.534 11.164 -0.036 1.00 0.00 C ATOM 106 CD2 TYR A 8 9.634 13.225 -0.845 1.00 0.00 C ATOM 107 CE1 TYR A 8 9.294 10.501 -0.344 1.00 0.00 C ATOM 108 CE2 TYR A 8 8.394 12.562 -1.154 1.00 0.00 C ATOM 109 CZ TYR A 8 8.285 11.233 -0.888 1.00 0.00 C ATOM 110 OH TYR A 8 7.113 10.606 -1.180 1.00 0.00 O ATOM 0 H TYR A 8 12.667 12.009 1.995 1.00 0.00 H new ATOM 0 HA TYR A 8 13.194 11.605 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.921 13.662 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 8 12.144 14.035 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.352 10.606 0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.747 14.280 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.168 9.447 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.569 13.108 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 8 7.083 10.398 -2.137 1.00 0.00 H new ATOM 120 N ILE A 9 14.965 13.632 0.989 1.00 0.00 N ATOM 121 CA ILE A 9 16.158 14.460 1.004 1.00 0.00 C ATOM 122 C ILE A 9 17.302 13.713 0.314 1.00 0.00 C ATOM 123 O ILE A 9 18.104 14.318 -0.395 1.00 0.00 O ATOM 124 CB ILE A 9 16.486 14.902 2.432 1.00 0.00 C ATOM 125 CG1 ILE A 9 16.462 13.712 3.393 1.00 0.00 C ATOM 126 CG2 ILE A 9 15.551 16.025 2.886 1.00 0.00 C ATOM 127 CD1 ILE A 9 15.181 13.709 4.229 1.00 0.00 C ATOM 0 H ILE A 9 14.553 13.461 1.906 1.00 0.00 H new ATOM 0 HA ILE A 9 15.991 15.378 0.441 1.00 0.00 H new ATOM 0 HB ILE A 9 17.499 15.303 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.534 12.782 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 9 17.330 13.754 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.805 16.321 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.661 16.882 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.520 15.674 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.189 12.853 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.124 14.629 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.316 13.643 3.569 1.00 0.00 H new ATOM 139 N ALA A 10 17.339 12.409 0.546 1.00 0.00 N ATOM 140 CA ALA A 10 18.370 11.574 -0.045 1.00 0.00 C ATOM 141 C ALA A 10 18.243 11.614 -1.569 1.00 0.00 C ATOM 142 O ALA A 10 19.207 11.924 -2.268 1.00 0.00 O ATOM 143 CB ALA A 10 18.258 10.153 0.512 1.00 0.00 C ATOM 0 H ALA A 10 16.672 11.911 1.135 1.00 0.00 H new ATOM 0 HA ALA A 10 19.361 11.949 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 10 19.032 9.526 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.385 10.175 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.277 9.744 0.270 1.00 0.00 H new ATOM 149 N LEU A 11 17.046 11.297 -2.039 1.00 0.00 N ATOM 150 CA LEU A 11 16.780 11.293 -3.468 1.00 0.00 C ATOM 151 C LEU A 11 17.062 12.684 -4.038 1.00 0.00 C ATOM 152 O LEU A 11 17.497 12.814 -5.182 1.00 0.00 O ATOM 153 CB LEU A 11 15.363 10.789 -3.748 1.00 0.00 C ATOM 154 CG LEU A 11 15.179 9.270 -3.748 1.00 0.00 C ATOM 155 CD1 LEU A 11 16.096 8.606 -4.777 1.00 0.00 C ATOM 156 CD2 LEU A 11 15.380 8.693 -2.345 1.00 0.00 C ATOM 0 H LEU A 11 16.249 11.041 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 11 17.447 10.598 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.693 11.216 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.047 11.173 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 11 14.153 9.051 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.945 7.527 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.862 8.986 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.135 8.832 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.244 7.612 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.387 8.923 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.652 9.133 -1.663 1.00 0.00 H new ATOM 168 N ILE A 12 16.802 13.690 -3.216 1.00 0.00 N ATOM 169 CA ILE A 12 17.022 15.067 -3.624 1.00 0.00 C ATOM 170 C ILE A 12 18.523 15.310 -3.794 1.00 0.00 C ATOM 171 O ILE A 12 18.978 15.672 -4.878 1.00 0.00 O ATOM 172 CB ILE A 12 16.351 16.030 -2.644 1.00 0.00 C ATOM 173 CG1 ILE A 12 14.959 16.432 -3.137 1.00 0.00 C ATOM 174 CG2 ILE A 12 17.238 17.248 -2.377 1.00 0.00 C ATOM 175 CD1 ILE A 12 14.008 15.234 -3.130 1.00 0.00 C ATOM 0 H ILE A 12 16.441 13.579 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 12 16.556 15.257 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 12 16.220 15.513 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.559 17.222 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.030 16.839 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.737 17.917 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.186 16.921 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.423 17.775 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.026 15.547 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.399 14.455 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.920 14.845 -2.116 1.00 0.00 H new ATOM 187 N THR A 13 19.251 15.101 -2.707 1.00 0.00 N ATOM 188 CA THR A 13 20.691 15.292 -2.722 1.00 0.00 C ATOM 189 C THR A 13 21.302 14.647 -3.967 1.00 0.00 C ATOM 190 O THR A 13 22.223 15.198 -4.569 1.00 0.00 O ATOM 191 CB THR A 13 21.256 14.740 -1.412 1.00 0.00 C ATOM 192 OG1 THR A 13 20.904 13.359 -1.437 1.00 0.00 O ATOM 193 CG2 THR A 13 20.528 15.288 -0.183 1.00 0.00 C ATOM 0 H THR A 13 18.870 14.801 -1.810 1.00 0.00 H new ATOM 0 HA THR A 13 20.948 16.349 -2.783 1.00 0.00 H new ATOM 0 HB THR A 13 22.316 14.983 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.026 13.253 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.968 14.864 0.720 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.623 16.374 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.473 15.017 -0.234 1.00 0.00 H new ATOM 201 N MET A 14 20.766 13.487 -4.317 1.00 0.00 N ATOM 202 CA MET A 14 21.246 12.760 -5.480 1.00 0.00 C ATOM 203 C MET A 14 20.747 13.404 -6.774 1.00 0.00 C ATOM 204 O MET A 14 21.440 13.381 -7.791 1.00 0.00 O ATOM 205 CB MET A 14 20.763 11.310 -5.411 1.00 0.00 C ATOM 206 CG MET A 14 21.529 10.429 -6.400 1.00 0.00 C ATOM 207 SD MET A 14 20.693 8.865 -6.600 1.00 0.00 S ATOM 208 CE MET A 14 19.529 9.297 -7.882 1.00 0.00 C ATOM 0 H MET A 14 20.003 13.032 -3.815 1.00 0.00 H new ATOM 0 HA MET A 14 22.336 12.789 -5.479 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.895 10.927 -4.399 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.696 11.267 -5.631 1.00 0.00 H new ATOM 0 HG2 MET A 14 21.609 10.934 -7.363 1.00 0.00 H new ATOM 0 HG3 MET A 14 22.545 10.264 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 14 18.526 8.996 -7.579 1.00 0.00 H new ATOM 0 HE2 MET A 14 19.550 10.375 -8.045 1.00 0.00 H new ATOM 0 HE3 MET A 14 19.799 8.785 -8.806 1.00 0.00 H new ATOM 218 N ALA A 15 19.550 13.965 -6.695 1.00 0.00 N ATOM 219 CA ALA A 15 18.950 14.615 -7.848 1.00 0.00 C ATOM 220 C ALA A 15 19.757 15.867 -8.200 1.00 0.00 C ATOM 221 O ALA A 15 19.860 16.235 -9.369 1.00 0.00 O ATOM 222 CB ALA A 15 17.483 14.932 -7.550 1.00 0.00 C ATOM 0 H ALA A 15 18.979 13.983 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 15 18.971 13.954 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.033 15.420 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.947 14.007 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.422 15.595 -6.687 1.00 0.00 H new ATOM 228 N ILE A 16 20.308 16.486 -7.166 1.00 0.00 N ATOM 229 CA ILE A 16 21.102 17.688 -7.352 1.00 0.00 C ATOM 230 C ILE A 16 22.539 17.296 -7.705 1.00 0.00 C ATOM 231 O ILE A 16 23.145 17.886 -8.597 1.00 0.00 O ATOM 232 CB ILE A 16 20.997 18.595 -6.124 1.00 0.00 C ATOM 233 CG1 ILE A 16 21.456 20.017 -6.451 1.00 0.00 C ATOM 234 CG2 ILE A 16 21.763 18.004 -4.938 1.00 0.00 C ATOM 235 CD1 ILE A 16 20.378 20.777 -7.226 1.00 0.00 C ATOM 0 H ILE A 16 20.220 16.178 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 16 20.716 18.273 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 16 19.948 18.654 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.689 20.549 -5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.374 19.981 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 16 21.672 18.668 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 16 21.348 17.028 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 16 22.815 17.895 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 16 20.730 21.785 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.165 20.256 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.470 20.833 -6.626 1.00 0.00 H new ATOM 247 N LEU A 17 23.041 16.303 -6.986 1.00 0.00 N ATOM 248 CA LEU A 17 24.394 15.825 -7.212 1.00 0.00 C ATOM 249 C LEU A 17 24.495 15.241 -8.623 1.00 0.00 C ATOM 250 O LEU A 17 25.450 15.519 -9.347 1.00 0.00 O ATOM 251 CB LEU A 17 24.808 14.847 -6.111 1.00 0.00 C ATOM 252 CG LEU A 17 25.037 15.454 -4.726 1.00 0.00 C ATOM 253 CD1 LEU A 17 25.093 14.366 -3.652 1.00 0.00 C ATOM 254 CD2 LEU A 17 26.287 16.336 -4.714 1.00 0.00 C ATOM 0 H LEU A 17 22.535 15.816 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 17 25.104 16.650 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 24.039 14.079 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 25.725 14.347 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 17 24.188 16.095 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 17 25.257 14.825 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 24.152 13.817 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 17 25.911 13.680 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.427 16.755 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.158 15.737 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.168 17.145 -5.435 1.00 0.00 H new ATOM 266 N GLN A 18 23.497 14.443 -8.972 1.00 0.00 N ATOM 267 CA GLN A 18 23.461 13.818 -10.283 1.00 0.00 C ATOM 268 C GLN A 18 23.620 14.874 -11.379 1.00 0.00 C ATOM 269 O GLN A 18 23.944 14.546 -12.519 1.00 0.00 O ATOM 270 CB GLN A 18 22.171 13.019 -10.474 1.00 0.00 C ATOM 271 CG GLN A 18 20.980 13.949 -10.718 1.00 0.00 C ATOM 272 CD GLN A 18 20.702 14.102 -12.215 1.00 0.00 C ATOM 273 OE1 GLN A 18 20.965 15.129 -12.819 1.00 0.00 O ATOM 274 NE2 GLN A 18 20.158 13.027 -12.777 1.00 0.00 N ATOM 0 H GLN A 18 22.707 14.215 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 18 24.295 13.120 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 18 22.283 12.337 -11.317 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.984 12.407 -9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.096 13.552 -10.219 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.182 14.927 -10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.964 12.200 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.935 13.029 -13.772 1.00 0.00 H new ATOM 283 N SER A 19 23.383 16.120 -10.995 1.00 0.00 N ATOM 284 CA SER A 19 23.496 17.226 -11.930 1.00 0.00 C ATOM 285 C SER A 19 24.624 18.164 -11.498 1.00 0.00 C ATOM 286 O SER A 19 24.371 19.219 -10.918 1.00 0.00 O ATOM 287 CB SER A 19 22.177 17.994 -12.035 1.00 0.00 C ATOM 288 OG SER A 19 21.396 17.881 -10.849 1.00 0.00 O ATOM 0 H SER A 19 23.113 16.388 -10.049 1.00 0.00 H new ATOM 0 HA SER A 19 23.728 16.820 -12.914 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.385 19.046 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.605 17.617 -12.883 1.00 0.00 H new ATOM 0 HG SER A 19 21.974 17.992 -10.065 1.00 0.00 H new ATOM 294 N PRO A 20 25.878 17.735 -11.805 1.00 0.00 N ATOM 295 CA PRO A 20 27.046 18.525 -11.455 1.00 0.00 C ATOM 296 C PRO A 20 27.192 19.730 -12.386 1.00 0.00 C ATOM 297 O PRO A 20 28.129 20.515 -12.248 1.00 0.00 O ATOM 298 CB PRO A 20 28.215 17.559 -11.545 1.00 0.00 C ATOM 299 CG PRO A 20 27.728 16.391 -12.387 1.00 0.00 C ATOM 300 CD PRO A 20 26.215 16.491 -12.491 1.00 0.00 C ATOM 0 HA PRO A 20 26.979 18.956 -10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 20 29.081 18.036 -12.003 1.00 0.00 H new ATOM 0 HB3 PRO A 20 28.522 17.225 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.182 16.419 -13.378 1.00 0.00 H new ATOM 0 HG3 PRO A 20 28.018 15.444 -11.931 1.00 0.00 H new ATOM 0 HD2 PRO A 20 25.890 16.512 -13.531 1.00 0.00 H new ATOM 0 HD3 PRO A 20 25.728 15.636 -12.022 1.00 0.00 H new ATOM 308 N GLN A 21 26.253 19.838 -13.314 1.00 0.00 N ATOM 309 CA GLN A 21 26.265 20.934 -14.268 1.00 0.00 C ATOM 310 C GLN A 21 25.909 22.248 -13.572 1.00 0.00 C ATOM 311 O GLN A 21 25.926 23.309 -14.194 1.00 0.00 O ATOM 312 CB GLN A 21 25.315 20.656 -15.435 1.00 0.00 C ATOM 313 CG GLN A 21 25.969 21.012 -16.771 1.00 0.00 C ATOM 314 CD GLN A 21 26.591 19.775 -17.423 1.00 0.00 C ATOM 315 OE1 GLN A 21 26.025 19.159 -18.312 1.00 0.00 O ATOM 316 NE2 GLN A 21 27.783 19.447 -16.934 1.00 0.00 N ATOM 0 H GLN A 21 25.478 19.184 -13.426 1.00 0.00 H new ATOM 0 HA GLN A 21 27.272 21.023 -14.676 1.00 0.00 H new ATOM 0 HB2 GLN A 21 25.031 19.604 -15.434 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.399 21.234 -15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.226 21.445 -17.440 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.737 21.770 -16.614 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.200 20.006 -16.190 1.00 0.00 H new ATOM 0 HE22 GLN A 21 28.280 18.637 -17.303 1.00 0.00 H new ATOM 325 N LYS A 22 25.595 22.135 -12.289 1.00 0.00 N ATOM 326 CA LYS A 22 25.236 23.302 -11.501 1.00 0.00 C ATOM 327 C LYS A 22 23.902 23.859 -12.003 1.00 0.00 C ATOM 328 O LYS A 22 23.846 24.975 -12.518 1.00 0.00 O ATOM 329 CB LYS A 22 26.373 24.326 -11.510 1.00 0.00 C ATOM 330 CG LYS A 22 27.571 23.821 -10.705 1.00 0.00 C ATOM 331 CD LYS A 22 27.635 24.497 -9.334 1.00 0.00 C ATOM 332 CE LYS A 22 28.260 23.567 -8.292 1.00 0.00 C ATOM 333 NZ LYS A 22 27.854 23.971 -6.927 1.00 0.00 N ATOM 0 H LYS A 22 25.582 21.253 -11.776 1.00 0.00 H new ATOM 0 HA LYS A 22 25.095 23.027 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 22 26.679 24.526 -12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.021 25.269 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 22 27.499 22.741 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.492 24.017 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.219 25.415 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.631 24.781 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.950 22.539 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.346 23.593 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 28.287 23.330 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.171 24.944 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.818 23.923 -6.844 1.00 0.00 H new ATOM 347 N LYS A 23 22.861 23.058 -11.834 1.00 0.00 N ATOM 348 CA LYS A 23 21.531 23.457 -12.263 1.00 0.00 C ATOM 349 C LYS A 23 20.543 22.329 -11.961 1.00 0.00 C ATOM 350 O LYS A 23 20.921 21.159 -11.927 1.00 0.00 O ATOM 351 CB LYS A 23 21.548 23.883 -13.732 1.00 0.00 C ATOM 352 CG LYS A 23 21.282 25.384 -13.870 1.00 0.00 C ATOM 353 CD LYS A 23 21.358 25.821 -15.335 1.00 0.00 C ATOM 354 CE LYS A 23 21.652 27.318 -15.445 1.00 0.00 C ATOM 355 NZ LYS A 23 22.800 27.556 -16.349 1.00 0.00 N ATOM 0 H LYS A 23 22.911 22.134 -11.406 1.00 0.00 H new ATOM 0 HA LYS A 23 21.197 24.332 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.514 23.639 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.794 23.324 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 23 20.298 25.621 -13.466 1.00 0.00 H new ATOM 0 HG3 LYS A 23 22.011 25.942 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 23 22.136 25.255 -15.847 1.00 0.00 H new ATOM 0 HD3 LYS A 23 20.417 25.594 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.772 27.841 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 23 21.869 27.726 -14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 22.986 28.577 -16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 23.642 27.073 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 22.580 27.185 -17.295 1.00 0.00 H new ATOM 369 N LEU A 24 19.295 22.720 -11.749 1.00 0.00 N ATOM 370 CA LEU A 24 18.249 21.757 -11.451 1.00 0.00 C ATOM 371 C LEU A 24 16.882 22.422 -11.630 1.00 0.00 C ATOM 372 O LEU A 24 16.777 23.647 -11.612 1.00 0.00 O ATOM 373 CB LEU A 24 18.459 21.150 -10.062 1.00 0.00 C ATOM 374 CG LEU A 24 17.828 19.776 -9.828 1.00 0.00 C ATOM 375 CD1 LEU A 24 18.517 18.704 -10.675 1.00 0.00 C ATOM 376 CD2 LEU A 24 17.828 19.419 -8.341 1.00 0.00 C ATOM 0 H LEU A 24 18.985 23.691 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 24 18.292 20.921 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 24 19.531 21.071 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.060 21.842 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 24 16.787 19.819 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.049 17.737 -10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.421 18.957 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.573 18.653 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 24 17.374 18.438 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.853 19.400 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.257 20.164 -7.788 1.00 0.00 H new ATOM 388 N THR A 25 15.870 21.584 -11.800 1.00 0.00 N ATOM 389 CA THR A 25 14.515 22.076 -11.983 1.00 0.00 C ATOM 390 C THR A 25 13.533 21.258 -11.142 1.00 0.00 C ATOM 391 O THR A 25 13.485 20.033 -11.253 1.00 0.00 O ATOM 392 CB THR A 25 14.201 22.050 -13.480 1.00 0.00 C ATOM 393 OG1 THR A 25 14.410 20.692 -13.856 1.00 0.00 O ATOM 394 CG2 THR A 25 15.226 22.828 -14.307 1.00 0.00 C ATOM 0 H THR A 25 15.961 20.568 -11.815 1.00 0.00 H new ATOM 0 HA THR A 25 14.416 23.104 -11.633 1.00 0.00 H new ATOM 0 HB THR A 25 13.208 22.466 -13.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.227 20.586 -14.813 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.956 22.778 -15.362 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.238 23.869 -13.985 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.215 22.392 -14.164 1.00 0.00 H new ATOM 402 N LEU A 26 12.774 21.967 -10.320 1.00 0.00 N ATOM 403 CA LEU A 26 11.796 21.322 -9.460 1.00 0.00 C ATOM 404 C LEU A 26 10.983 20.320 -10.283 1.00 0.00 C ATOM 405 O LEU A 26 10.824 19.167 -9.883 1.00 0.00 O ATOM 406 CB LEU A 26 10.939 22.368 -8.744 1.00 0.00 C ATOM 407 CG LEU A 26 9.450 22.370 -9.095 1.00 0.00 C ATOM 408 CD1 LEU A 26 8.711 21.254 -8.354 1.00 0.00 C ATOM 409 CD2 LEU A 26 8.827 23.742 -8.833 1.00 0.00 C ATOM 0 H LEU A 26 12.816 22.982 -10.231 1.00 0.00 H new ATOM 0 HA LEU A 26 12.295 20.759 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.038 22.216 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.345 23.355 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 26 9.350 22.170 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.654 21.277 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.135 20.289 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.817 21.399 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.768 23.716 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.938 23.997 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.330 24.493 -9.442 1.00 0.00 H new ATOM 421 N SER A 27 10.490 20.796 -11.417 1.00 0.00 N ATOM 422 CA SER A 27 9.697 19.956 -12.298 1.00 0.00 C ATOM 423 C SER A 27 10.541 18.783 -12.802 1.00 0.00 C ATOM 424 O SER A 27 10.093 17.637 -12.781 1.00 0.00 O ATOM 425 CB SER A 27 9.148 20.760 -13.479 1.00 0.00 C ATOM 426 OG SER A 27 8.240 21.774 -13.057 1.00 0.00 O ATOM 0 H SER A 27 10.624 21.752 -11.746 1.00 0.00 H new ATOM 0 HA SER A 27 8.850 19.570 -11.731 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.975 21.217 -14.022 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.644 20.087 -14.173 1.00 0.00 H new ATOM 0 HG SER A 27 8.584 22.652 -13.322 1.00 0.00 H new ATOM 432 N GLY A 28 11.746 19.110 -13.244 1.00 0.00 N ATOM 433 CA GLY A 28 12.657 18.098 -13.752 1.00 0.00 C ATOM 434 C GLY A 28 12.882 16.993 -12.717 1.00 0.00 C ATOM 435 O GLY A 28 12.957 15.816 -13.067 1.00 0.00 O ATOM 0 H GLY A 28 12.113 20.062 -13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.253 17.667 -14.668 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.610 18.559 -14.010 1.00 0.00 H new ATOM 439 N ILE A 29 12.983 17.412 -11.464 1.00 0.00 N ATOM 440 CA ILE A 29 13.199 16.473 -10.377 1.00 0.00 C ATOM 441 C ILE A 29 11.962 15.585 -10.224 1.00 0.00 C ATOM 442 O ILE A 29 12.081 14.369 -10.082 1.00 0.00 O ATOM 443 CB ILE A 29 13.584 17.216 -9.096 1.00 0.00 C ATOM 444 CG1 ILE A 29 14.967 16.782 -8.605 1.00 0.00 C ATOM 445 CG2 ILE A 29 12.513 17.043 -8.018 1.00 0.00 C ATOM 446 CD1 ILE A 29 16.006 16.896 -9.723 1.00 0.00 C ATOM 0 H ILE A 29 12.919 18.389 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 29 14.039 15.816 -10.602 1.00 0.00 H new ATOM 0 HB ILE A 29 13.642 18.280 -9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 29 15.268 17.401 -7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.924 15.753 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.812 17.581 -7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.565 17.440 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.398 15.984 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 29 16.980 16.582 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 29 15.715 16.257 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 29 16.064 17.930 -10.062 1.00 0.00 H new ATOM 458 N CYS A 30 10.804 16.227 -10.257 1.00 0.00 N ATOM 459 CA CYS A 30 9.547 15.510 -10.124 1.00 0.00 C ATOM 460 C CYS A 30 9.500 14.420 -11.197 1.00 0.00 C ATOM 461 O CYS A 30 8.945 13.345 -10.971 1.00 0.00 O ATOM 462 CB CYS A 30 8.345 16.453 -10.216 1.00 0.00 C ATOM 463 SG CYS A 30 6.791 15.488 -10.205 1.00 0.00 S ATOM 0 H CYS A 30 10.709 17.236 -10.374 1.00 0.00 H new ATOM 0 HA CYS A 30 9.490 15.050 -9.137 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.355 17.151 -9.379 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.407 17.047 -11.128 1.00 0.00 H new ATOM 0 HG CYS A 30 6.403 15.304 -8.978 1.00 0.00 H new ATOM 469 N GLU A 31 10.089 14.734 -12.341 1.00 0.00 N ATOM 470 CA GLU A 31 10.121 13.794 -13.449 1.00 0.00 C ATOM 471 C GLU A 31 11.198 12.733 -13.214 1.00 0.00 C ATOM 472 O GLU A 31 10.970 11.548 -13.454 1.00 0.00 O ATOM 473 CB GLU A 31 10.348 14.520 -14.777 1.00 0.00 C ATOM 474 CG GLU A 31 10.331 13.537 -15.949 1.00 0.00 C ATOM 475 CD GLU A 31 9.923 14.237 -17.246 1.00 0.00 C ATOM 476 OE1 GLU A 31 9.049 15.127 -17.161 1.00 0.00 O ATOM 477 OE2 GLU A 31 10.494 13.867 -18.295 1.00 0.00 O ATOM 0 H GLU A 31 10.548 15.626 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 31 9.153 13.296 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.575 15.275 -14.920 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.304 15.044 -14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.318 13.090 -16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.637 12.724 -15.736 1.00 0.00 H new ATOM 484 N PHE A 32 12.348 13.196 -12.747 1.00 0.00 N ATOM 485 CA PHE A 32 13.460 12.301 -12.476 1.00 0.00 C ATOM 486 C PHE A 32 13.093 11.280 -11.397 1.00 0.00 C ATOM 487 O PHE A 32 13.616 10.167 -11.387 1.00 0.00 O ATOM 488 CB PHE A 32 14.617 13.165 -11.972 1.00 0.00 C ATOM 489 CG PHE A 32 15.422 12.527 -10.837 1.00 0.00 C ATOM 490 CD1 PHE A 32 16.169 11.416 -11.075 1.00 0.00 C ATOM 491 CD2 PHE A 32 15.391 13.072 -9.592 1.00 0.00 C ATOM 492 CE1 PHE A 32 16.916 10.824 -10.023 1.00 0.00 C ATOM 493 CE2 PHE A 32 16.138 12.479 -8.539 1.00 0.00 C ATOM 494 CZ PHE A 32 16.884 11.368 -8.777 1.00 0.00 C ATOM 0 H PHE A 32 12.534 14.179 -12.549 1.00 0.00 H new ATOM 0 HA PHE A 32 13.725 11.753 -13.380 1.00 0.00 H new ATOM 0 HB2 PHE A 32 15.288 13.377 -12.805 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.221 14.121 -11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.194 10.984 -12.064 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.799 13.955 -9.403 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.510 9.942 -10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.113 12.911 -7.549 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.452 10.917 -7.976 1.00 0.00 H new ATOM 504 N ILE A 33 12.197 11.697 -10.514 1.00 0.00 N ATOM 505 CA ILE A 33 11.754 10.833 -9.433 1.00 0.00 C ATOM 506 C ILE A 33 10.683 9.875 -9.958 1.00 0.00 C ATOM 507 O ILE A 33 10.823 8.658 -9.845 1.00 0.00 O ATOM 508 CB ILE A 33 11.300 11.666 -8.233 1.00 0.00 C ATOM 509 CG1 ILE A 33 12.470 12.450 -7.636 1.00 0.00 C ATOM 510 CG2 ILE A 33 10.604 10.790 -7.190 1.00 0.00 C ATOM 511 CD1 ILE A 33 13.698 11.555 -7.462 1.00 0.00 C ATOM 0 H ILE A 33 11.766 12.621 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 33 12.580 10.221 -9.072 1.00 0.00 H new ATOM 0 HB ILE A 33 10.568 12.395 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.717 13.291 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.179 12.866 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.291 11.407 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.730 10.316 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.294 10.022 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 14.515 12.137 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.454 10.729 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.001 11.160 -8.432 1.00 0.00 H new ATOM 523 N SER A 34 9.636 10.460 -10.521 1.00 0.00 N ATOM 524 CA SER A 34 8.541 9.674 -11.064 1.00 0.00 C ATOM 525 C SER A 34 9.075 8.668 -12.085 1.00 0.00 C ATOM 526 O SER A 34 8.540 7.568 -12.217 1.00 0.00 O ATOM 527 CB SER A 34 7.484 10.573 -11.708 1.00 0.00 C ATOM 528 OG SER A 34 8.058 11.498 -12.627 1.00 0.00 O ATOM 0 H SER A 34 9.523 11.470 -10.613 1.00 0.00 H new ATOM 0 HA SER A 34 8.069 9.134 -10.244 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.750 9.956 -12.226 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.950 11.119 -10.930 1.00 0.00 H new ATOM 0 HG SER A 34 8.085 12.389 -12.220 1.00 0.00 H new ATOM 534 N ASN A 35 10.124 9.080 -12.782 1.00 0.00 N ATOM 535 CA ASN A 35 10.737 8.228 -13.787 1.00 0.00 C ATOM 536 C ASN A 35 11.477 7.082 -13.096 1.00 0.00 C ATOM 537 O ASN A 35 11.550 5.975 -13.627 1.00 0.00 O ATOM 538 CB ASN A 35 11.751 9.008 -14.626 1.00 0.00 C ATOM 539 CG ASN A 35 12.301 8.145 -15.763 1.00 0.00 C ATOM 540 OD1 ASN A 35 13.029 7.189 -15.555 1.00 0.00 O ATOM 541 ND2 ASN A 35 11.913 8.535 -16.974 1.00 0.00 N ATOM 0 H ASN A 35 10.565 9.993 -12.670 1.00 0.00 H new ATOM 0 HA ASN A 35 9.947 7.850 -14.436 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.278 9.900 -15.037 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.571 9.345 -13.992 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.226 8.024 -17.799 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.302 9.345 -17.077 1.00 0.00 H new ATOM 548 N ARG A 36 12.008 7.386 -11.920 1.00 0.00 N ATOM 549 CA ARG A 36 12.740 6.395 -11.151 1.00 0.00 C ATOM 550 C ARG A 36 11.768 5.478 -10.405 1.00 0.00 C ATOM 551 O ARG A 36 11.876 4.256 -10.488 1.00 0.00 O ATOM 552 CB ARG A 36 13.676 7.063 -10.142 1.00 0.00 C ATOM 553 CG ARG A 36 14.957 7.551 -10.821 1.00 0.00 C ATOM 554 CD ARG A 36 15.887 6.379 -11.145 1.00 0.00 C ATOM 555 NE ARG A 36 17.295 6.772 -10.915 1.00 0.00 N ATOM 556 CZ ARG A 36 18.215 5.977 -10.353 1.00 0.00 C ATOM 557 NH1 ARG A 36 17.881 4.740 -9.958 1.00 0.00 N ATOM 558 NH2 ARG A 36 19.469 6.417 -10.184 1.00 0.00 N ATOM 0 H ARG A 36 11.945 8.305 -11.482 1.00 0.00 H new ATOM 0 HA ARG A 36 13.336 5.807 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.167 7.904 -9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.926 6.357 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.706 8.085 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.471 8.259 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.634 5.521 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.751 6.072 -12.182 1.00 0.00 H new ATOM 0 HE ARG A 36 17.583 7.707 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.926 4.404 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.582 4.135 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.724 7.358 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.169 5.811 -9.756 1.00 0.00 H new ATOM 572 N PHE A 37 10.842 6.104 -9.694 1.00 0.00 N ATOM 573 CA PHE A 37 9.852 5.359 -8.935 1.00 0.00 C ATOM 574 C PHE A 37 8.449 5.568 -9.510 1.00 0.00 C ATOM 575 O PHE A 37 7.946 6.690 -9.537 1.00 0.00 O ATOM 576 CB PHE A 37 9.889 5.898 -7.503 1.00 0.00 C ATOM 577 CG PHE A 37 11.280 5.880 -6.867 1.00 0.00 C ATOM 578 CD1 PHE A 37 11.824 4.703 -6.456 1.00 0.00 C ATOM 579 CD2 PHE A 37 11.972 7.040 -6.713 1.00 0.00 C ATOM 580 CE1 PHE A 37 13.116 4.687 -5.866 1.00 0.00 C ATOM 581 CE2 PHE A 37 13.264 7.023 -6.123 1.00 0.00 C ATOM 582 CZ PHE A 37 13.808 5.847 -5.712 1.00 0.00 C ATOM 0 H PHE A 37 10.756 7.118 -9.627 1.00 0.00 H new ATOM 0 HA PHE A 37 10.077 4.293 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.513 6.921 -7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.211 5.308 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.274 3.782 -6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.539 7.974 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.549 3.753 -5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.814 7.944 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.790 5.834 -5.263 1.00 0.00 H new ATOM 592 N PRO A 38 7.842 4.440 -9.967 1.00 0.00 N ATOM 593 CA PRO A 38 6.508 4.489 -10.540 1.00 0.00 C ATOM 594 C PRO A 38 5.448 4.658 -9.449 1.00 0.00 C ATOM 595 O PRO A 38 4.543 5.480 -9.579 1.00 0.00 O ATOM 596 CB PRO A 38 6.363 3.187 -11.311 1.00 0.00 C ATOM 597 CG PRO A 38 7.433 2.257 -10.763 1.00 0.00 C ATOM 598 CD PRO A 38 8.408 3.094 -9.951 1.00 0.00 C ATOM 0 HA PRO A 38 6.365 5.345 -11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.369 2.761 -11.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.497 3.349 -12.380 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.984 1.483 -10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.951 1.750 -11.577 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.502 2.716 -8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.405 3.078 -10.391 1.00 0.00 H new ATOM 606 N TYR A 39 5.597 3.866 -8.397 1.00 0.00 N ATOM 607 CA TYR A 39 4.664 3.918 -7.283 1.00 0.00 C ATOM 608 C TYR A 39 4.501 5.350 -6.772 1.00 0.00 C ATOM 609 O TYR A 39 3.404 5.756 -6.391 1.00 0.00 O ATOM 610 CB TYR A 39 5.281 3.061 -6.176 1.00 0.00 C ATOM 611 CG TYR A 39 4.968 3.552 -4.762 1.00 0.00 C ATOM 612 CD1 TYR A 39 3.696 3.987 -4.448 1.00 0.00 C ATOM 613 CD2 TYR A 39 5.956 3.559 -3.799 1.00 0.00 C ATOM 614 CE1 TYR A 39 3.400 4.449 -3.117 1.00 0.00 C ATOM 615 CE2 TYR A 39 5.661 4.021 -2.467 1.00 0.00 C ATOM 616 CZ TYR A 39 4.398 4.443 -2.192 1.00 0.00 C ATOM 617 OH TYR A 39 4.119 4.880 -0.934 1.00 0.00 O ATOM 0 H TYR A 39 6.349 3.185 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 39 3.680 3.561 -7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.923 2.037 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.362 3.036 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.922 3.981 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.951 3.218 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.409 4.792 -2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.425 4.032 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 39 4.925 4.819 -0.380 1.00 0.00 H new ATOM 627 N TYR A 40 5.608 6.078 -6.779 1.00 0.00 N ATOM 628 CA TYR A 40 5.601 7.456 -6.320 1.00 0.00 C ATOM 629 C TYR A 40 4.772 8.341 -7.254 1.00 0.00 C ATOM 630 O TYR A 40 4.087 9.257 -6.801 1.00 0.00 O ATOM 631 CB TYR A 40 7.059 7.921 -6.358 1.00 0.00 C ATOM 632 CG TYR A 40 7.960 7.226 -5.335 1.00 0.00 C ATOM 633 CD1 TYR A 40 7.427 6.299 -4.463 1.00 0.00 C ATOM 634 CD2 TYR A 40 9.306 7.527 -5.285 1.00 0.00 C ATOM 635 CE1 TYR A 40 8.275 5.645 -3.501 1.00 0.00 C ATOM 636 CE2 TYR A 40 10.154 6.873 -4.322 1.00 0.00 C ATOM 637 CZ TYR A 40 9.597 5.964 -3.478 1.00 0.00 C ATOM 638 OH TYR A 40 10.398 5.347 -2.568 1.00 0.00 O ATOM 0 H TYR A 40 6.516 5.739 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 40 5.165 7.526 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.459 7.747 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.091 8.997 -6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.374 6.064 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.723 8.253 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.871 4.917 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.209 7.100 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 40 11.317 5.672 -2.668 1.00 0.00 H new ATOM 648 N ARG A 41 4.862 8.035 -8.540 1.00 0.00 N ATOM 649 CA ARG A 41 4.129 8.791 -9.541 1.00 0.00 C ATOM 650 C ARG A 41 2.672 8.327 -9.595 1.00 0.00 C ATOM 651 O ARG A 41 1.824 8.997 -10.183 1.00 0.00 O ATOM 652 CB ARG A 41 4.760 8.629 -10.926 1.00 0.00 C ATOM 653 CG ARG A 41 4.292 9.734 -11.875 1.00 0.00 C ATOM 654 CD ARG A 41 4.692 9.423 -13.318 1.00 0.00 C ATOM 655 NE ARG A 41 3.483 9.216 -14.145 1.00 0.00 N ATOM 656 CZ ARG A 41 3.478 8.578 -15.323 1.00 0.00 C ATOM 657 NH1 ARG A 41 4.619 8.080 -15.820 1.00 0.00 N ATOM 658 NH2 ARG A 41 2.333 8.437 -16.005 1.00 0.00 N ATOM 0 H ARG A 41 5.431 7.274 -8.912 1.00 0.00 H new ATOM 0 HA ARG A 41 4.169 9.843 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.846 8.655 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.496 7.655 -11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.209 9.841 -11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.725 10.687 -11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.285 10.243 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.319 8.532 -13.346 1.00 0.00 H new ATOM 0 HE ARG A 41 2.597 9.582 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.491 8.187 -15.301 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.615 7.594 -16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.464 8.816 -15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.330 7.951 -16.902 1.00 0.00 H new ATOM 672 N GLU A 42 2.425 7.183 -8.974 1.00 0.00 N ATOM 673 CA GLU A 42 1.086 6.621 -8.944 1.00 0.00 C ATOM 674 C GLU A 42 0.256 7.286 -7.844 1.00 0.00 C ATOM 675 O GLU A 42 -0.819 7.822 -8.111 1.00 0.00 O ATOM 676 CB GLU A 42 1.132 5.103 -8.754 1.00 0.00 C ATOM 677 CG GLU A 42 -0.234 4.474 -9.035 1.00 0.00 C ATOM 678 CD GLU A 42 -1.009 4.243 -7.736 1.00 0.00 C ATOM 679 OE1 GLU A 42 -0.541 3.404 -6.937 1.00 0.00 O ATOM 680 OE2 GLU A 42 -2.053 4.911 -7.572 1.00 0.00 O ATOM 0 H GLU A 42 3.130 6.630 -8.487 1.00 0.00 H new ATOM 0 HA GLU A 42 0.608 6.820 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.879 4.672 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.441 4.870 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.809 5.124 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.102 3.526 -9.557 1.00 0.00 H new ATOM 687 N LYS A 43 0.786 7.230 -6.631 1.00 0.00 N ATOM 688 CA LYS A 43 0.107 7.821 -5.490 1.00 0.00 C ATOM 689 C LYS A 43 0.263 9.342 -5.541 1.00 0.00 C ATOM 690 O LYS A 43 -0.724 10.073 -5.476 1.00 0.00 O ATOM 691 CB LYS A 43 0.607 7.194 -4.187 1.00 0.00 C ATOM 692 CG LYS A 43 -0.264 7.622 -3.004 1.00 0.00 C ATOM 693 CD LYS A 43 -1.341 6.576 -2.709 1.00 0.00 C ATOM 694 CE LYS A 43 -1.650 6.513 -1.212 1.00 0.00 C ATOM 695 NZ LYS A 43 -1.152 5.245 -0.633 1.00 0.00 N ATOM 0 H LYS A 43 1.677 6.785 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.961 7.609 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.599 6.108 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.640 7.491 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.360 7.766 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.734 8.581 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.249 6.818 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.008 5.598 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.187 7.359 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.725 6.595 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.370 5.218 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.613 4.442 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.123 5.182 -0.768 1.00 0.00 H new ATOM 709 N PHE A 44 1.511 9.774 -5.655 1.00 0.00 N ATOM 710 CA PHE A 44 1.808 11.194 -5.715 1.00 0.00 C ATOM 711 C PHE A 44 0.864 11.991 -4.813 1.00 0.00 C ATOM 712 O PHE A 44 0.109 12.836 -5.292 1.00 0.00 O ATOM 713 CB PHE A 44 1.601 11.634 -7.166 1.00 0.00 C ATOM 714 CG PHE A 44 2.480 12.812 -7.590 1.00 0.00 C ATOM 715 CD1 PHE A 44 2.370 14.008 -6.951 1.00 0.00 C ATOM 716 CD2 PHE A 44 3.372 12.664 -8.607 1.00 0.00 C ATOM 717 CE1 PHE A 44 3.186 15.101 -7.345 1.00 0.00 C ATOM 718 CE2 PHE A 44 4.187 13.758 -9.001 1.00 0.00 C ATOM 719 CZ PHE A 44 4.077 14.953 -8.362 1.00 0.00 C ATOM 0 H PHE A 44 2.327 9.165 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 44 2.828 11.375 -5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.802 10.788 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.555 11.905 -7.307 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.662 14.126 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.460 11.715 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.099 16.050 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.894 13.641 -9.809 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.697 15.785 -8.662 1.00 0.00 H new ATOM 729 N PRO A 45 0.938 11.686 -3.490 1.00 0.00 N ATOM 730 CA PRO A 45 0.098 12.364 -2.517 1.00 0.00 C ATOM 731 C PRO A 45 0.603 13.784 -2.253 1.00 0.00 C ATOM 732 O PRO A 45 0.662 14.222 -1.105 1.00 0.00 O ATOM 733 CB PRO A 45 0.137 11.480 -1.281 1.00 0.00 C ATOM 734 CG PRO A 45 1.358 10.589 -1.443 1.00 0.00 C ATOM 735 CD PRO A 45 1.820 10.691 -2.888 1.00 0.00 C ATOM 0 HA PRO A 45 -0.927 12.496 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.209 12.080 -0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.772 10.885 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.152 10.902 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.114 9.557 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.864 10.999 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.740 9.731 -3.398 1.00 0.00 H new ATOM 743 N ALA A 46 0.952 14.464 -3.335 1.00 0.00 N ATOM 744 CA ALA A 46 1.449 15.826 -3.235 1.00 0.00 C ATOM 745 C ALA A 46 2.974 15.800 -3.116 1.00 0.00 C ATOM 746 O ALA A 46 3.527 16.177 -2.084 1.00 0.00 O ATOM 747 CB ALA A 46 0.784 16.526 -2.048 1.00 0.00 C ATOM 0 H ALA A 46 0.901 14.097 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 46 1.198 16.393 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.157 17.548 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.296 16.543 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.017 15.986 -1.130 1.00 0.00 H new ATOM 753 N TRP A 47 3.612 15.352 -4.188 1.00 0.00 N ATOM 754 CA TRP A 47 5.062 15.272 -4.217 1.00 0.00 C ATOM 755 C TRP A 47 5.605 16.660 -4.562 1.00 0.00 C ATOM 756 O TRP A 47 6.817 16.853 -4.647 1.00 0.00 O ATOM 757 CB TRP A 47 5.532 14.188 -5.189 1.00 0.00 C ATOM 758 CG TRP A 47 5.623 12.793 -4.568 1.00 0.00 C ATOM 759 CD1 TRP A 47 4.637 12.064 -4.027 1.00 0.00 C ATOM 760 CD2 TRP A 47 6.811 11.982 -4.445 1.00 0.00 C ATOM 761 NE1 TRP A 47 5.100 10.848 -3.567 1.00 0.00 N ATOM 762 CE2 TRP A 47 6.464 10.797 -3.829 1.00 0.00 C ATOM 763 CE3 TRP A 47 8.135 12.242 -4.842 1.00 0.00 C ATOM 764 CZ2 TRP A 47 7.384 9.778 -3.554 1.00 0.00 C ATOM 765 CZ3 TRP A 47 9.042 11.213 -4.560 1.00 0.00 C ATOM 766 CH2 TRP A 47 8.709 10.014 -3.940 1.00 0.00 C ATOM 0 H TRP A 47 3.151 15.041 -5.043 1.00 0.00 H new ATOM 0 HA TRP A 47 5.452 14.978 -3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.848 14.153 -6.037 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.511 14.465 -5.580 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.609 12.388 -3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.544 10.121 -3.118 1.00 0.00 H new ATOM 0 HE3 TRP A 47 8.429 13.162 -5.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.087 8.859 -3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 10.073 11.361 -4.844 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.469 9.268 -3.757 1.00 0.00 H new ATOM 777 N GLN A 48 4.682 17.591 -4.752 1.00 0.00 N ATOM 778 CA GLN A 48 5.053 18.956 -5.086 1.00 0.00 C ATOM 779 C GLN A 48 5.730 19.629 -3.890 1.00 0.00 C ATOM 780 O GLN A 48 6.887 20.040 -3.978 1.00 0.00 O ATOM 781 CB GLN A 48 3.835 19.758 -5.549 1.00 0.00 C ATOM 782 CG GLN A 48 4.221 21.201 -5.876 1.00 0.00 C ATOM 783 CD GLN A 48 3.937 22.127 -4.692 1.00 0.00 C ATOM 784 OE1 GLN A 48 4.997 22.366 -3.925 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 2.828 22.594 -4.488 1.00 0.00 N flip ATOM 0 H GLN A 48 3.678 17.427 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 48 5.763 18.927 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.398 19.286 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.072 19.749 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.279 21.249 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.665 21.541 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.057 22.370 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.672 23.208 -3.689 1.00 0.00 H new ATOM 794 N ASN A 49 4.982 19.722 -2.801 1.00 0.00 N ATOM 795 CA ASN A 49 5.495 20.338 -1.590 1.00 0.00 C ATOM 796 C ASN A 49 6.461 19.372 -0.901 1.00 0.00 C ATOM 797 O ASN A 49 7.444 19.797 -0.295 1.00 0.00 O ATOM 798 CB ASN A 49 4.364 20.655 -0.610 1.00 0.00 C ATOM 799 CG ASN A 49 3.039 20.855 -1.349 1.00 0.00 C ATOM 800 OD1 ASN A 49 2.977 21.438 -2.419 1.00 0.00 O ATOM 801 ND2 ASN A 49 1.986 20.342 -0.720 1.00 0.00 N ATOM 0 H ASN A 49 4.023 19.381 -2.732 1.00 0.00 H new ATOM 0 HA ASN A 49 5.998 21.263 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.264 19.843 0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.609 21.554 -0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.056 20.424 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.108 19.866 0.174 1.00 0.00 H new ATOM 808 N SER A 50 6.147 18.090 -1.016 1.00 0.00 N ATOM 809 CA SER A 50 6.974 17.059 -0.411 1.00 0.00 C ATOM 810 C SER A 50 8.394 17.130 -0.976 1.00 0.00 C ATOM 811 O SER A 50 9.361 17.235 -0.223 1.00 0.00 O ATOM 812 CB SER A 50 6.379 15.669 -0.643 1.00 0.00 C ATOM 813 OG SER A 50 5.798 15.132 0.542 1.00 0.00 O ATOM 0 H SER A 50 5.331 17.741 -1.519 1.00 0.00 H new ATOM 0 HA SER A 50 7.008 17.235 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.622 15.725 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.158 14.996 -1.002 1.00 0.00 H new ATOM 0 HG SER A 50 5.428 14.245 0.352 1.00 0.00 H new ATOM 819 N ILE A 51 8.475 17.070 -2.297 1.00 0.00 N ATOM 820 CA ILE A 51 9.761 17.126 -2.972 1.00 0.00 C ATOM 821 C ILE A 51 10.392 18.501 -2.744 1.00 0.00 C ATOM 822 O ILE A 51 11.492 18.602 -2.203 1.00 0.00 O ATOM 823 CB ILE A 51 9.607 16.757 -4.449 1.00 0.00 C ATOM 824 CG1 ILE A 51 9.108 15.319 -4.606 1.00 0.00 C ATOM 825 CG2 ILE A 51 10.911 16.997 -5.212 1.00 0.00 C ATOM 826 CD1 ILE A 51 10.193 14.316 -4.212 1.00 0.00 C ATOM 0 H ILE A 51 7.671 16.983 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 51 10.444 16.388 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 51 8.852 17.409 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.225 15.167 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.806 15.146 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.775 16.727 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.185 18.050 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.703 16.386 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.812 13.302 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.066 14.454 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.476 14.476 -3.171 1.00 0.00 H new ATOM 838 N ARG A 52 9.668 19.527 -3.168 1.00 0.00 N ATOM 839 CA ARG A 52 10.143 20.892 -3.018 1.00 0.00 C ATOM 840 C ARG A 52 10.601 21.138 -1.579 1.00 0.00 C ATOM 841 O ARG A 52 11.534 21.903 -1.343 1.00 0.00 O ATOM 842 CB ARG A 52 9.049 21.899 -3.377 1.00 0.00 C ATOM 843 CG ARG A 52 8.942 22.075 -4.893 1.00 0.00 C ATOM 844 CD ARG A 52 7.952 23.186 -5.248 1.00 0.00 C ATOM 845 NE ARG A 52 7.006 22.710 -6.282 1.00 0.00 N ATOM 846 CZ ARG A 52 6.005 23.447 -6.780 1.00 0.00 C ATOM 847 NH1 ARG A 52 5.812 24.699 -6.342 1.00 0.00 N ATOM 848 NH2 ARG A 52 5.195 22.933 -7.716 1.00 0.00 N ATOM 0 H ARG A 52 8.756 19.440 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 52 10.983 21.028 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.093 21.560 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.267 22.860 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.923 22.312 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.622 21.138 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.405 23.495 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.490 24.062 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 52 7.124 21.761 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.428 25.091 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.049 25.260 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.341 21.980 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.433 23.495 -8.095 1.00 0.00 H new ATOM 862 N HIS A 53 9.922 20.475 -0.654 1.00 0.00 N ATOM 863 CA HIS A 53 10.247 20.613 0.756 1.00 0.00 C ATOM 864 C HIS A 53 11.608 19.971 1.033 1.00 0.00 C ATOM 865 O HIS A 53 12.520 20.631 1.529 1.00 0.00 O ATOM 866 CB HIS A 53 9.131 20.038 1.630 1.00 0.00 C ATOM 867 CG HIS A 53 9.520 19.846 3.076 1.00 0.00 C ATOM 868 ND1 HIS A 53 9.334 20.823 4.038 1.00 0.00 N ATOM 869 CD2 HIS A 53 10.086 18.781 3.713 1.00 0.00 C ATOM 870 CE1 HIS A 53 9.772 20.356 5.198 1.00 0.00 C ATOM 871 NE2 HIS A 53 10.239 19.091 4.995 1.00 0.00 N ATOM 0 H HIS A 53 9.148 19.841 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 53 10.323 21.669 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.268 20.702 1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.819 19.078 1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.363 17.844 3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.761 20.885 6.140 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.640 18.483 5.710 1.00 0.00 H new ATOM 879 N ASN A 54 11.702 18.692 0.702 1.00 0.00 N ATOM 880 CA ASN A 54 12.936 17.953 0.910 1.00 0.00 C ATOM 881 C ASN A 54 14.000 18.463 -0.064 1.00 0.00 C ATOM 882 O ASN A 54 15.181 18.151 0.082 1.00 0.00 O ATOM 883 CB ASN A 54 12.734 16.459 0.650 1.00 0.00 C ATOM 884 CG ASN A 54 11.930 15.810 1.779 1.00 0.00 C ATOM 885 OD1 ASN A 54 12.467 15.176 2.673 1.00 0.00 O ATOM 886 ND2 ASN A 54 10.618 16.002 1.688 1.00 0.00 N ATOM 0 H ASN A 54 10.943 18.148 0.291 1.00 0.00 H new ATOM 0 HA ASN A 54 13.247 18.100 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.215 16.318 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.703 15.968 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.995 15.608 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.234 16.543 0.913 1.00 0.00 H new ATOM 893 N LEU A 55 13.543 19.239 -1.036 1.00 0.00 N ATOM 894 CA LEU A 55 14.442 19.795 -2.034 1.00 0.00 C ATOM 895 C LEU A 55 15.083 21.070 -1.483 1.00 0.00 C ATOM 896 O LEU A 55 16.306 21.194 -1.461 1.00 0.00 O ATOM 897 CB LEU A 55 13.708 20.000 -3.361 1.00 0.00 C ATOM 898 CG LEU A 55 14.591 20.248 -4.585 1.00 0.00 C ATOM 899 CD1 LEU A 55 16.003 19.701 -4.362 1.00 0.00 C ATOM 900 CD2 LEU A 55 13.948 19.678 -5.851 1.00 0.00 C ATOM 0 H LEU A 55 12.563 19.496 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 55 15.252 19.097 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.094 19.120 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.029 20.845 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 55 14.682 21.325 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 16.610 19.890 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.453 20.195 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.953 18.628 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.597 19.868 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.806 18.603 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.982 20.156 -6.015 1.00 0.00 H new ATOM 912 N SER A 56 14.228 21.985 -1.051 1.00 0.00 N ATOM 913 CA SER A 56 14.695 23.246 -0.501 1.00 0.00 C ATOM 914 C SER A 56 15.121 23.056 0.956 1.00 0.00 C ATOM 915 O SER A 56 16.218 23.454 1.343 1.00 0.00 O ATOM 916 CB SER A 56 13.616 24.326 -0.602 1.00 0.00 C ATOM 917 OG SER A 56 12.727 24.298 0.511 1.00 0.00 O ATOM 0 H SER A 56 13.214 21.878 -1.071 1.00 0.00 H new ATOM 0 HA SER A 56 15.555 23.575 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.089 25.306 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.049 24.187 -1.522 1.00 0.00 H new ATOM 0 HG SER A 56 12.054 25.003 0.410 1.00 0.00 H new ATOM 923 N LEU A 57 14.229 22.447 1.725 1.00 0.00 N ATOM 924 CA LEU A 57 14.499 22.200 3.131 1.00 0.00 C ATOM 925 C LEU A 57 15.610 21.156 3.257 1.00 0.00 C ATOM 926 O LEU A 57 15.338 19.979 3.492 1.00 0.00 O ATOM 927 CB LEU A 57 13.211 21.818 3.864 1.00 0.00 C ATOM 928 CG LEU A 57 13.243 21.947 5.388 1.00 0.00 C ATOM 929 CD1 LEU A 57 12.208 22.963 5.875 1.00 0.00 C ATOM 930 CD2 LEU A 57 13.066 20.582 6.057 1.00 0.00 C ATOM 0 H LEU A 57 13.320 22.118 1.401 1.00 0.00 H new ATOM 0 HA LEU A 57 14.858 23.108 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.402 22.441 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.965 20.787 3.612 1.00 0.00 H new ATOM 0 HG LEU A 57 14.224 22.324 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.252 23.035 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.422 23.938 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.212 22.641 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.093 20.701 7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.108 20.154 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.872 19.917 5.746 1.00 0.00 H new ATOM 942 N ASN A 58 16.839 21.624 3.095 1.00 0.00 N ATOM 943 CA ASN A 58 17.993 20.746 3.188 1.00 0.00 C ATOM 944 C ASN A 58 19.187 21.406 2.496 1.00 0.00 C ATOM 945 O ASN A 58 20.153 21.793 3.152 1.00 0.00 O ATOM 946 CB ASN A 58 17.724 19.409 2.494 1.00 0.00 C ATOM 947 CG ASN A 58 17.729 18.258 3.502 1.00 0.00 C ATOM 948 OD1 ASN A 58 18.366 17.235 3.311 1.00 0.00 O ATOM 949 ND2 ASN A 58 16.986 18.481 4.582 1.00 0.00 N ATOM 0 H ASN A 58 17.061 22.600 2.900 1.00 0.00 H new ATOM 0 HA ASN A 58 18.199 20.570 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.761 19.447 1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.482 19.232 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.924 17.773 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.478 19.360 4.679 1.00 0.00 H new ATOM 956 N ASP A 59 19.083 21.514 1.180 1.00 0.00 N ATOM 957 CA ASP A 59 20.142 22.121 0.392 1.00 0.00 C ATOM 958 C ASP A 59 20.248 23.606 0.745 1.00 0.00 C ATOM 959 O ASP A 59 21.345 24.119 0.964 1.00 0.00 O ATOM 960 CB ASP A 59 19.848 22.011 -1.105 1.00 0.00 C ATOM 961 CG ASP A 59 19.667 20.583 -1.626 1.00 0.00 C ATOM 962 OD1 ASP A 59 18.993 19.803 -0.919 1.00 0.00 O ATOM 963 OD2 ASP A 59 20.208 20.305 -2.718 1.00 0.00 O ATOM 0 H ASP A 59 18.281 21.191 0.639 1.00 0.00 H new ATOM 0 HA ASP A 59 21.071 21.597 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.944 22.579 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.662 22.482 -1.655 1.00 0.00 H new ATOM 968 N CYS A 60 19.094 24.255 0.789 1.00 0.00 N ATOM 969 CA CYS A 60 19.043 25.670 1.112 1.00 0.00 C ATOM 970 C CYS A 60 19.678 26.449 -0.042 1.00 0.00 C ATOM 971 O CYS A 60 20.716 27.086 0.131 1.00 0.00 O ATOM 972 CB CYS A 60 19.726 25.971 2.447 1.00 0.00 C ATOM 973 SG CYS A 60 18.577 25.625 3.829 1.00 0.00 S ATOM 0 H CYS A 60 18.187 23.826 0.606 1.00 0.00 H new ATOM 0 HA CYS A 60 18.005 25.981 1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 60 20.625 25.364 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 60 20.041 27.014 2.477 1.00 0.00 H new ATOM 0 HG CYS A 60 19.167 25.882 4.959 1.00 0.00 H new ATOM 979 N PHE A 61 19.029 26.372 -1.194 1.00 0.00 N ATOM 980 CA PHE A 61 19.517 27.062 -2.376 1.00 0.00 C ATOM 981 C PHE A 61 18.529 28.138 -2.830 1.00 0.00 C ATOM 982 O PHE A 61 17.651 28.541 -2.069 1.00 0.00 O ATOM 983 CB PHE A 61 19.654 26.013 -3.482 1.00 0.00 C ATOM 984 CG PHE A 61 18.574 24.930 -3.449 1.00 0.00 C ATOM 985 CD1 PHE A 61 17.260 25.280 -3.422 1.00 0.00 C ATOM 986 CD2 PHE A 61 18.928 23.617 -3.446 1.00 0.00 C ATOM 987 CE1 PHE A 61 16.257 24.275 -3.392 1.00 0.00 C ATOM 988 CE2 PHE A 61 17.925 22.611 -3.416 1.00 0.00 C ATOM 989 CZ PHE A 61 16.611 22.961 -3.389 1.00 0.00 C ATOM 0 H PHE A 61 18.169 25.842 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 61 20.467 27.549 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.623 26.514 -4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 61 20.632 25.539 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 61 16.979 26.323 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 61 19.971 23.339 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.214 24.553 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 61 18.206 21.568 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.849 22.196 -3.365 1.00 0.00 H new ATOM 999 N VAL A 62 18.705 28.573 -4.070 1.00 0.00 N ATOM 1000 CA VAL A 62 17.840 29.595 -4.634 1.00 0.00 C ATOM 1001 C VAL A 62 17.086 29.013 -5.832 1.00 0.00 C ATOM 1002 O VAL A 62 17.666 28.301 -6.649 1.00 0.00 O ATOM 1003 CB VAL A 62 18.660 30.837 -4.990 1.00 0.00 C ATOM 1004 CG1 VAL A 62 17.759 31.956 -5.516 1.00 0.00 C ATOM 1005 CG2 VAL A 62 19.482 31.312 -3.791 1.00 0.00 C ATOM 0 H VAL A 62 19.434 28.236 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 62 17.096 29.912 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 62 19.354 30.565 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 62 18.366 32.827 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.238 31.613 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 17.030 32.226 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 62 20.056 32.196 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.813 31.559 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 20.164 30.520 -3.481 1.00 0.00 H new ATOM 1015 N LYS A 63 15.803 29.339 -5.897 1.00 0.00 N ATOM 1016 CA LYS A 63 14.963 28.858 -6.981 1.00 0.00 C ATOM 1017 C LYS A 63 14.346 30.053 -7.711 1.00 0.00 C ATOM 1018 O LYS A 63 14.432 31.185 -7.239 1.00 0.00 O ATOM 1019 CB LYS A 63 13.931 27.859 -6.456 1.00 0.00 C ATOM 1020 CG LYS A 63 14.494 27.055 -5.282 1.00 0.00 C ATOM 1021 CD LYS A 63 13.561 27.126 -4.072 1.00 0.00 C ATOM 1022 CE LYS A 63 14.259 27.781 -2.879 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.362 29.244 -3.078 1.00 0.00 N ATOM 0 H LYS A 63 15.325 29.930 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 63 15.559 28.311 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.033 28.390 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.635 27.181 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.630 26.016 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.477 27.440 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.667 27.693 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.235 26.122 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.704 27.571 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.254 27.354 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.361 29.530 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.964 29.497 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.833 29.734 -2.329 1.00 0.00 H new ATOM 1037 N ILE A 64 13.738 29.759 -8.851 1.00 0.00 N ATOM 1038 CA ILE A 64 13.107 30.795 -9.651 1.00 0.00 C ATOM 1039 C ILE A 64 11.609 30.505 -9.764 1.00 0.00 C ATOM 1040 O ILE A 64 11.213 29.442 -10.241 1.00 0.00 O ATOM 1041 CB ILE A 64 13.811 30.931 -11.003 1.00 0.00 C ATOM 1042 CG1 ILE A 64 13.529 29.719 -11.892 1.00 0.00 C ATOM 1043 CG2 ILE A 64 15.310 31.172 -10.819 1.00 0.00 C ATOM 1044 CD1 ILE A 64 12.787 30.132 -13.165 1.00 0.00 C ATOM 0 H ILE A 64 13.669 28.818 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 64 13.208 31.766 -9.166 1.00 0.00 H new ATOM 0 HB ILE A 64 13.406 31.805 -11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.467 29.231 -12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.935 28.990 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.786 31.265 -11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.464 32.090 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.750 30.333 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.599 29.251 -13.779 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.838 30.597 -12.898 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.394 30.842 -13.726 1.00 0.00 H new ATOM 1056 N PRO A 65 10.796 31.494 -9.305 1.00 0.00 N ATOM 1057 CA PRO A 65 9.350 31.355 -9.350 1.00 0.00 C ATOM 1058 C PRO A 65 8.826 31.537 -10.776 1.00 0.00 C ATOM 1059 O PRO A 65 9.607 31.631 -11.721 1.00 0.00 O ATOM 1060 CB PRO A 65 8.824 32.405 -8.385 1.00 0.00 C ATOM 1061 CG PRO A 65 9.959 33.397 -8.189 1.00 0.00 C ATOM 1062 CD PRO A 65 11.229 32.766 -8.734 1.00 0.00 C ATOM 0 HA PRO A 65 9.013 30.360 -9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.940 32.898 -8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.532 31.953 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.744 34.331 -8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.076 33.639 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.694 33.401 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.966 32.615 -7.945 1.00 0.00 H new ATOM 1070 N ARG A 66 7.506 31.583 -10.886 1.00 0.00 N ATOM 1071 CA ARG A 66 6.868 31.752 -12.180 1.00 0.00 C ATOM 1072 C ARG A 66 7.631 32.782 -13.017 1.00 0.00 C ATOM 1073 O ARG A 66 7.481 33.986 -12.813 1.00 0.00 O ATOM 1074 CB ARG A 66 5.416 32.207 -12.023 1.00 0.00 C ATOM 1075 CG ARG A 66 4.764 32.440 -13.388 1.00 0.00 C ATOM 1076 CD ARG A 66 4.494 31.114 -14.100 1.00 0.00 C ATOM 1077 NE ARG A 66 3.208 31.183 -14.829 1.00 0.00 N ATOM 1078 CZ ARG A 66 3.081 30.996 -16.149 1.00 0.00 C ATOM 1079 NH1 ARG A 66 4.162 30.728 -16.895 1.00 0.00 N ATOM 1080 NH2 ARG A 66 1.874 31.077 -16.725 1.00 0.00 N ATOM 0 H ARG A 66 6.861 31.506 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 66 6.881 30.786 -12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.853 31.455 -11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.380 33.126 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.829 32.985 -13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.414 33.062 -14.004 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.304 30.894 -14.795 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.467 30.301 -13.374 1.00 0.00 H new ATOM 0 HE ARG A 66 2.365 31.386 -14.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.081 30.666 -16.457 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.065 30.586 -17.900 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.051 31.281 -16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.778 30.934 -17.730 1.00 0.00 H new ATOM 1094 N GLU A 67 8.431 32.271 -13.941 1.00 0.00 N ATOM 1095 CA GLU A 67 9.217 33.131 -14.809 1.00 0.00 C ATOM 1096 C GLU A 67 8.629 33.139 -16.222 1.00 0.00 C ATOM 1097 O GLU A 67 7.758 32.331 -16.540 1.00 0.00 O ATOM 1098 CB GLU A 67 10.684 32.698 -14.828 1.00 0.00 C ATOM 1099 CG GLU A 67 11.558 33.687 -14.053 1.00 0.00 C ATOM 1100 CD GLU A 67 12.987 33.700 -14.600 1.00 0.00 C ATOM 1101 OE1 GLU A 67 13.319 32.752 -15.343 1.00 0.00 O ATOM 1102 OE2 GLU A 67 13.714 34.659 -14.262 1.00 0.00 O ATOM 0 H GLU A 67 8.552 31.272 -14.108 1.00 0.00 H new ATOM 0 HA GLU A 67 9.178 34.146 -14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.779 31.704 -14.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.033 32.629 -15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.130 34.687 -14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.571 33.417 -12.997 1.00 0.00 H new ATOM 1109 N PRO A 68 9.143 34.085 -17.053 1.00 0.00 N ATOM 1110 CA PRO A 68 8.678 34.209 -18.424 1.00 0.00 C ATOM 1111 C PRO A 68 9.242 33.086 -19.297 1.00 0.00 C ATOM 1112 O PRO A 68 9.877 33.348 -20.317 1.00 0.00 O ATOM 1113 CB PRO A 68 9.129 35.591 -18.869 1.00 0.00 C ATOM 1114 CG PRO A 68 10.224 36.004 -17.899 1.00 0.00 C ATOM 1115 CD PRO A 68 10.175 35.059 -16.710 1.00 0.00 C ATOM 0 HA PRO A 68 7.596 34.110 -18.512 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.502 35.569 -19.893 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.300 36.298 -18.847 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.200 35.958 -18.383 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.077 37.034 -17.574 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.138 34.575 -16.549 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.928 35.591 -15.791 1.00 0.00 H new ATOM 1123 N GLY A 69 8.989 31.860 -18.864 1.00 0.00 N ATOM 1124 CA GLY A 69 9.464 30.696 -19.594 1.00 0.00 C ATOM 1125 C GLY A 69 9.136 29.405 -18.840 1.00 0.00 C ATOM 1126 O GLY A 69 9.974 28.511 -18.740 1.00 0.00 O ATOM 0 H GLY A 69 8.462 31.647 -18.017 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.006 30.670 -20.583 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.541 30.771 -19.744 1.00 0.00 H new ATOM 1130 N ASN A 70 7.914 29.350 -18.330 1.00 0.00 N ATOM 1131 CA ASN A 70 7.466 28.183 -17.589 1.00 0.00 C ATOM 1132 C ASN A 70 6.060 27.798 -18.055 1.00 0.00 C ATOM 1133 O ASN A 70 5.107 27.859 -17.281 1.00 0.00 O ATOM 1134 CB ASN A 70 7.402 28.475 -16.088 1.00 0.00 C ATOM 1135 CG ASN A 70 8.581 29.346 -15.649 1.00 0.00 C ATOM 1136 OD1 ASN A 70 8.975 30.286 -16.319 1.00 0.00 O ATOM 1137 ND2 ASN A 70 9.119 28.983 -14.489 1.00 0.00 N ATOM 0 H ASN A 70 7.221 30.094 -18.415 1.00 0.00 H new ATOM 0 HA ASN A 70 8.175 27.376 -17.770 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.465 28.979 -15.851 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.410 27.538 -15.531 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.911 29.502 -14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.740 28.185 -13.979 1.00 0.00 H new ATOM 1144 N PRO A 71 5.974 27.399 -19.353 1.00 0.00 N ATOM 1145 CA PRO A 71 4.702 27.004 -19.931 1.00 0.00 C ATOM 1146 C PRO A 71 4.284 25.616 -19.441 1.00 0.00 C ATOM 1147 O PRO A 71 4.455 24.625 -20.150 1.00 0.00 O ATOM 1148 CB PRO A 71 4.918 27.062 -21.435 1.00 0.00 C ATOM 1149 CG PRO A 71 6.424 27.035 -21.641 1.00 0.00 C ATOM 1150 CD PRO A 71 7.082 27.314 -20.299 1.00 0.00 C ATOM 0 HA PRO A 71 3.884 27.660 -19.634 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.441 26.217 -21.931 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.482 27.967 -21.858 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.739 26.066 -22.027 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.723 27.783 -22.376 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.776 26.519 -20.026 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.654 28.242 -20.324 1.00 0.00 H new ATOM 1158 N GLY A 72 3.744 25.589 -18.231 1.00 0.00 N ATOM 1159 CA GLY A 72 3.300 24.339 -17.638 1.00 0.00 C ATOM 1160 C GLY A 72 4.191 23.946 -16.457 1.00 0.00 C ATOM 1161 O GLY A 72 3.829 24.166 -15.302 1.00 0.00 O ATOM 0 H GLY A 72 3.604 26.412 -17.646 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.268 24.438 -17.302 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.317 23.550 -18.389 1.00 0.00 H new ATOM 1165 N LYS A 73 5.338 23.372 -16.787 1.00 0.00 N ATOM 1166 CA LYS A 73 6.283 22.946 -15.769 1.00 0.00 C ATOM 1167 C LYS A 73 7.707 23.237 -16.246 1.00 0.00 C ATOM 1168 O LYS A 73 8.551 22.344 -16.272 1.00 0.00 O ATOM 1169 CB LYS A 73 6.046 21.481 -15.397 1.00 0.00 C ATOM 1170 CG LYS A 73 6.228 20.571 -16.613 1.00 0.00 C ATOM 1171 CD LYS A 73 5.141 19.495 -16.660 1.00 0.00 C ATOM 1172 CE LYS A 73 3.908 19.993 -17.416 1.00 0.00 C ATOM 1173 NZ LYS A 73 2.674 19.671 -16.666 1.00 0.00 N ATOM 0 H LYS A 73 5.635 23.192 -17.746 1.00 0.00 H new ATOM 0 HA LYS A 73 6.133 23.512 -14.850 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.739 21.185 -14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.039 21.362 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.195 21.166 -17.525 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.210 20.100 -16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.531 18.600 -17.144 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.860 19.212 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.978 21.070 -17.567 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.870 19.534 -18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.847 20.016 -17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.601 18.641 -16.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.705 20.129 -15.733 1.00 0.00 H new ATOM 1187 N GLY A 74 7.929 24.491 -16.612 1.00 0.00 N ATOM 1188 CA GLY A 74 9.236 24.911 -17.087 1.00 0.00 C ATOM 1189 C GLY A 74 9.848 25.959 -16.155 1.00 0.00 C ATOM 1190 O GLY A 74 9.841 27.150 -16.464 1.00 0.00 O ATOM 0 H GLY A 74 7.226 25.229 -16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.898 24.047 -17.153 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.147 25.322 -18.093 1.00 0.00 H new ATOM 1194 N ASN A 75 10.362 25.478 -15.033 1.00 0.00 N ATOM 1195 CA ASN A 75 10.976 26.358 -14.053 1.00 0.00 C ATOM 1196 C ASN A 75 12.482 26.091 -14.007 1.00 0.00 C ATOM 1197 O ASN A 75 13.002 25.310 -14.803 1.00 0.00 O ATOM 1198 CB ASN A 75 10.409 26.108 -12.655 1.00 0.00 C ATOM 1199 CG ASN A 75 10.411 24.615 -12.321 1.00 0.00 C ATOM 1200 OD1 ASN A 75 9.864 23.792 -13.037 1.00 0.00 O ATOM 1201 ND2 ASN A 75 11.055 24.313 -11.198 1.00 0.00 N ATOM 0 H ASN A 75 10.366 24.490 -14.780 1.00 0.00 H new ATOM 0 HA ASN A 75 10.768 27.387 -14.347 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.000 26.650 -11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.392 26.496 -12.596 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.113 23.343 -10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.491 25.051 -10.646 1.00 0.00 H new ATOM 1208 N TYR A 76 13.140 26.754 -13.068 1.00 0.00 N ATOM 1209 CA TYR A 76 14.576 26.598 -12.908 1.00 0.00 C ATOM 1210 C TYR A 76 14.978 26.704 -11.435 1.00 0.00 C ATOM 1211 O TYR A 76 14.500 27.583 -10.719 1.00 0.00 O ATOM 1212 CB TYR A 76 15.215 27.752 -13.683 1.00 0.00 C ATOM 1213 CG TYR A 76 15.784 27.347 -15.044 1.00 0.00 C ATOM 1214 CD1 TYR A 76 17.077 26.875 -15.139 1.00 0.00 C ATOM 1215 CD2 TYR A 76 15.004 27.453 -16.178 1.00 0.00 C ATOM 1216 CE1 TYR A 76 17.613 26.494 -16.420 1.00 0.00 C ATOM 1217 CE2 TYR A 76 15.539 27.072 -17.459 1.00 0.00 C ATOM 1218 CZ TYR A 76 16.818 26.611 -17.517 1.00 0.00 C ATOM 1219 OH TYR A 76 17.324 26.251 -18.727 1.00 0.00 O ATOM 0 H TYR A 76 12.705 27.401 -12.410 1.00 0.00 H new ATOM 0 HA TYR A 76 14.899 25.622 -13.270 1.00 0.00 H new ATOM 0 HB2 TYR A 76 14.470 28.534 -13.830 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.014 28.183 -13.080 1.00 0.00 H new ATOM 0 HD1 TYR A 76 17.687 26.791 -14.252 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.992 27.822 -16.104 1.00 0.00 H new ATOM 0 HE1 TYR A 76 18.624 26.124 -16.508 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.939 27.150 -18.354 1.00 0.00 H new ATOM 0 HH TYR A 76 16.644 26.387 -19.419 1.00 0.00 H new ATOM 1229 N TRP A 77 15.853 25.797 -11.027 1.00 0.00 N ATOM 1230 CA TRP A 77 16.324 25.778 -9.653 1.00 0.00 C ATOM 1231 C TRP A 77 17.854 25.823 -9.677 1.00 0.00 C ATOM 1232 O TRP A 77 18.490 25.043 -10.383 1.00 0.00 O ATOM 1233 CB TRP A 77 15.775 24.564 -8.901 1.00 0.00 C ATOM 1234 CG TRP A 77 14.351 24.751 -8.374 1.00 0.00 C ATOM 1235 CD1 TRP A 77 13.304 25.303 -9.003 1.00 0.00 C ATOM 1236 CD2 TRP A 77 13.856 24.361 -7.075 1.00 0.00 C ATOM 1237 NE1 TRP A 77 12.176 25.298 -8.208 1.00 0.00 N ATOM 1238 CE2 TRP A 77 12.522 24.707 -6.999 1.00 0.00 C ATOM 1239 CE3 TRP A 77 14.514 23.737 -6.001 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 11.733 24.468 -5.867 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 13.711 23.506 -4.878 1.00 0.00 C ATOM 1242 CH2 TRP A 77 12.367 23.848 -4.785 1.00 0.00 C ATOM 0 H TRP A 77 16.248 25.070 -11.624 1.00 0.00 H new ATOM 0 HA TRP A 77 15.957 26.648 -9.108 1.00 0.00 H new ATOM 0 HB2 TRP A 77 15.796 23.699 -9.564 1.00 0.00 H new ATOM 0 HB3 TRP A 77 16.435 24.339 -8.063 1.00 0.00 H new ATOM 0 HD1 TRP A 77 13.339 25.702 -10.006 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.257 25.661 -8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 77 15.557 23.458 -6.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 10.690 24.747 -5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 14.168 23.028 -4.024 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.815 23.636 -3.881 1.00 0.00 H new ATOM 1253 N THR A 78 18.399 26.746 -8.898 1.00 0.00 N ATOM 1254 CA THR A 78 19.841 26.903 -8.822 1.00 0.00 C ATOM 1255 C THR A 78 20.327 26.678 -7.388 1.00 0.00 C ATOM 1256 O THR A 78 19.784 27.255 -6.447 1.00 0.00 O ATOM 1257 CB THR A 78 20.196 28.286 -9.373 1.00 0.00 C ATOM 1258 OG1 THR A 78 19.525 28.341 -10.629 1.00 0.00 O ATOM 1259 CG2 THR A 78 21.677 28.409 -9.736 1.00 0.00 C ATOM 0 H THR A 78 17.868 27.392 -8.314 1.00 0.00 H new ATOM 0 HA THR A 78 20.353 26.155 -9.427 1.00 0.00 H new ATOM 0 HB THR A 78 19.939 29.047 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 78 19.699 29.206 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 78 21.875 29.409 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 78 22.285 28.236 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 78 21.928 27.670 -10.497 1.00 0.00 H new ATOM 1267 N LEU A 79 21.345 25.838 -7.267 1.00 0.00 N ATOM 1268 CA LEU A 79 21.910 25.530 -5.965 1.00 0.00 C ATOM 1269 C LEU A 79 23.372 25.978 -5.929 1.00 0.00 C ATOM 1270 O LEU A 79 24.073 25.902 -6.937 1.00 0.00 O ATOM 1271 CB LEU A 79 21.712 24.050 -5.632 1.00 0.00 C ATOM 1272 CG LEU A 79 22.735 23.435 -4.674 1.00 0.00 C ATOM 1273 CD1 LEU A 79 22.145 22.227 -3.943 1.00 0.00 C ATOM 1274 CD2 LEU A 79 24.032 23.085 -5.406 1.00 0.00 C ATOM 0 H LEU A 79 21.793 25.361 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 79 21.388 26.082 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 79 20.719 23.925 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 79 21.729 23.483 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 79 22.984 24.179 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.893 21.809 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.273 22.540 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.849 21.471 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 79 24.741 22.650 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.820 22.367 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.460 23.989 -5.840 1.00 0.00 H new ATOM 1286 N ASP A 80 23.789 26.436 -4.758 1.00 0.00 N ATOM 1287 CA ASP A 80 25.155 26.897 -4.577 1.00 0.00 C ATOM 1288 C ASP A 80 26.029 25.725 -4.127 1.00 0.00 C ATOM 1289 O ASP A 80 25.518 24.653 -3.804 1.00 0.00 O ATOM 1290 CB ASP A 80 25.232 27.984 -3.503 1.00 0.00 C ATOM 1291 CG ASP A 80 25.797 29.324 -3.979 1.00 0.00 C ATOM 1292 OD1 ASP A 80 25.538 29.664 -5.154 1.00 0.00 O ATOM 1293 OD2 ASP A 80 26.474 29.979 -3.158 1.00 0.00 O ATOM 0 H ASP A 80 23.204 26.498 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 80 25.502 27.304 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 80 24.232 28.150 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 80 25.847 27.619 -2.681 1.00 0.00 H new ATOM 1298 N PRO A 81 27.366 25.974 -4.119 1.00 0.00 N ATOM 1299 CA PRO A 81 28.315 24.952 -3.713 1.00 0.00 C ATOM 1300 C PRO A 81 28.306 24.766 -2.194 1.00 0.00 C ATOM 1301 O PRO A 81 29.291 25.067 -1.522 1.00 0.00 O ATOM 1302 CB PRO A 81 29.657 25.428 -4.245 1.00 0.00 C ATOM 1303 CG PRO A 81 29.493 26.914 -4.520 1.00 0.00 C ATOM 1304 CD PRO A 81 28.006 27.231 -4.494 1.00 0.00 C ATOM 0 HA PRO A 81 28.069 23.968 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 81 30.450 25.250 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 81 29.930 24.891 -5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 81 30.022 27.502 -3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 81 29.922 27.173 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.782 28.019 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 81 27.658 27.578 -5.467 1.00 0.00 H new ATOM 1312 N GLN A 82 27.182 24.271 -1.698 1.00 0.00 N ATOM 1313 CA GLN A 82 27.031 24.042 -0.271 1.00 0.00 C ATOM 1314 C GLN A 82 26.499 22.630 -0.014 1.00 0.00 C ATOM 1315 O GLN A 82 26.977 21.937 0.883 1.00 0.00 O ATOM 1316 CB GLN A 82 26.118 25.095 0.360 1.00 0.00 C ATOM 1317 CG GLN A 82 26.807 25.778 1.544 1.00 0.00 C ATOM 1318 CD GLN A 82 26.316 27.218 1.707 1.00 0.00 C ATOM 1319 OE1 GLN A 82 26.580 28.087 0.892 1.00 0.00 O ATOM 1320 NE2 GLN A 82 25.590 27.422 2.802 1.00 0.00 N ATOM 0 H GLN A 82 26.367 24.022 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 82 28.011 24.131 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 82 25.846 25.841 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 82 25.192 24.626 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 82 26.610 25.217 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 82 27.887 25.773 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 82 25.406 26.650 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 82 25.217 28.350 3.001 1.00 0.00 H new ATOM 1329 N SER A 83 25.516 22.247 -0.816 1.00 0.00 N ATOM 1330 CA SER A 83 24.914 20.932 -0.686 1.00 0.00 C ATOM 1331 C SER A 83 25.994 19.851 -0.769 1.00 0.00 C ATOM 1332 O SER A 83 26.106 19.011 0.122 1.00 0.00 O ATOM 1333 CB SER A 83 23.851 20.703 -1.763 1.00 0.00 C ATOM 1334 OG SER A 83 23.510 19.326 -1.892 1.00 0.00 O ATOM 0 H SER A 83 25.122 22.825 -1.558 1.00 0.00 H new ATOM 0 HA SER A 83 24.425 20.875 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.957 21.276 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.217 21.077 -2.719 1.00 0.00 H new ATOM 0 HG SER A 83 22.577 19.246 -2.181 1.00 0.00 H new ATOM 1340 N GLU A 84 26.762 19.909 -1.847 1.00 0.00 N ATOM 1341 CA GLU A 84 27.829 18.946 -2.058 1.00 0.00 C ATOM 1342 C GLU A 84 28.896 19.088 -0.970 1.00 0.00 C ATOM 1343 O GLU A 84 29.711 18.189 -0.772 1.00 0.00 O ATOM 1344 CB GLU A 84 28.443 19.103 -3.450 1.00 0.00 C ATOM 1345 CG GLU A 84 29.084 20.483 -3.614 1.00 0.00 C ATOM 1346 CD GLU A 84 29.691 20.643 -5.010 1.00 0.00 C ATOM 1347 OE1 GLU A 84 28.893 20.759 -5.965 1.00 0.00 O ATOM 1348 OE2 GLU A 84 30.938 20.646 -5.090 1.00 0.00 O ATOM 0 H GLU A 84 26.666 20.608 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 84 27.404 17.944 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 84 29.193 18.328 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.673 18.963 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 84 28.335 21.258 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 84 29.858 20.621 -2.859 1.00 0.00 H new ATOM 1355 N ASP A 85 28.855 20.226 -0.292 1.00 0.00 N ATOM 1356 CA ASP A 85 29.808 20.498 0.771 1.00 0.00 C ATOM 1357 C ASP A 85 29.365 19.774 2.044 1.00 0.00 C ATOM 1358 O ASP A 85 30.151 19.054 2.658 1.00 0.00 O ATOM 1359 CB ASP A 85 29.877 21.995 1.078 1.00 0.00 C ATOM 1360 CG ASP A 85 31.241 22.494 1.560 1.00 0.00 C ATOM 1361 OD1 ASP A 85 31.552 22.243 2.744 1.00 0.00 O ATOM 1362 OD2 ASP A 85 31.943 23.115 0.732 1.00 0.00 O ATOM 0 H ASP A 85 28.177 20.970 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 85 30.788 20.152 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 85 29.601 22.548 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 85 29.132 22.229 1.838 1.00 0.00 H new ATOM 1367 N MET A 86 28.108 19.991 2.403 1.00 0.00 N ATOM 1368 CA MET A 86 27.552 19.368 3.592 1.00 0.00 C ATOM 1369 C MET A 86 27.451 17.851 3.421 1.00 0.00 C ATOM 1370 O MET A 86 27.294 17.121 4.398 1.00 0.00 O ATOM 1371 CB MET A 86 26.161 19.944 3.867 1.00 0.00 C ATOM 1372 CG MET A 86 25.197 19.618 2.724 1.00 0.00 C ATOM 1373 SD MET A 86 23.542 19.415 3.361 1.00 0.00 S ATOM 1374 CE MET A 86 22.675 19.023 1.851 1.00 0.00 C ATOM 0 H MET A 86 27.459 20.589 1.892 1.00 0.00 H new ATOM 0 HA MET A 86 28.215 19.577 4.432 1.00 0.00 H new ATOM 0 HB2 MET A 86 25.773 19.538 4.801 1.00 0.00 H new ATOM 0 HB3 MET A 86 26.229 21.025 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 86 25.215 20.417 1.983 1.00 0.00 H new ATOM 0 HG3 MET A 86 25.515 18.707 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 86 21.949 19.807 1.634 1.00 0.00 H new ATOM 0 HE2 MET A 86 23.388 18.952 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 86 22.157 18.071 1.965 1.00 0.00 H new ATOM 1384 N PHE A 87 27.547 17.421 2.171 1.00 0.00 N ATOM 1385 CA PHE A 87 27.469 16.004 1.859 1.00 0.00 C ATOM 1386 C PHE A 87 28.855 15.358 1.896 1.00 0.00 C ATOM 1387 O PHE A 87 29.062 14.364 2.591 1.00 0.00 O ATOM 1388 CB PHE A 87 26.903 15.889 0.442 1.00 0.00 C ATOM 1389 CG PHE A 87 25.645 15.025 0.343 1.00 0.00 C ATOM 1390 CD1 PHE A 87 24.586 15.269 1.161 1.00 0.00 C ATOM 1391 CD2 PHE A 87 25.585 14.012 -0.563 1.00 0.00 C ATOM 1392 CE1 PHE A 87 23.418 14.466 1.070 1.00 0.00 C ATOM 1393 CE2 PHE A 87 24.417 13.210 -0.655 1.00 0.00 C ATOM 1394 CZ PHE A 87 23.358 13.454 0.164 1.00 0.00 C ATOM 0 H PHE A 87 27.678 18.029 1.363 1.00 0.00 H new ATOM 0 HA PHE A 87 26.841 15.495 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.675 16.888 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.670 15.473 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.633 16.074 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 87 26.426 13.818 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 87 22.578 14.659 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 87 24.369 12.406 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 87 22.470 12.844 0.094 1.00 0.00 H new