USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 803 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 75 MET CE :methyl -160:sc= -5.58! (180deg=-4.3!) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -0.503 F(o=-9,f=-6.1) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -3.06! C(o=-2.6!,f=-20!) USER MOD Set 2.2: A 60 SER OG : rot -85:sc= 0.396 USER MOD Set 2.3: A 90 THR OG1 : rot 113:sc= -2.02! USER MOD Set 2.4: A 92 SER OG : rot 149:sc= 0.809 USER MOD Set 2.5: A 105 THR OG1 : rot 158:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -136:sc= -2.84! USER MOD Single : A 17 ASN : amide:sc= -4.65 K(o=-4.6,f=-17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 29 CYS SG : rot 71:sc= -3.76 USER MOD Single : A 32 THR OG1 : rot 62:sc= 0.953 USER MOD Single : A 35 TYR OH : rot 113:sc= 0.185 USER MOD Single : A 36 GLN :FLIP amide:sc= 0.892 F(o=0,f=0.89) USER MOD Single : A 38 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.179) USER MOD Single : A 44 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.7!) USER MOD Single : A 49 CYS SG : rot -54:sc= -2.32 USER MOD Single : A 50 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-5.3!) USER MOD Single : A 54 GLN : amide:sc= -2.29! C(o=-2.3!,f=-5.5!) USER MOD Single : A 55 GLN : amide:sc= -2.36! C(o=-2.4!,f=-1.9!) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.297 F(o=-1.3!,f=-0.3) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0514 F(o=-1.2,f=-0.051) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0394 (180deg=-0.308) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.321 (180deg=-1.45) USER MOD Single : A 70 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -3.81! USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.0149 (180deg=-0.247) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.197 F(o=-2.8!,f=-0.2) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.105 F(o=-2.7!,f=-0.11) USER MOD Single : A 88 MET CE :methyl 145:sc= -8.81! (180deg=-11.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0418 F(o=-1.9!,f=-0.042) USER MOD Single : A 94 THR OG1 : rot 4:sc= 0.765 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 CYS SG : rot 39:sc= 1.08 USER MOD Single : A 109 THR OG1 : rot 22:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -13.958 -6.496 6.803 1.00 0.00 N ATOM 91 CA GLN A 8 -13.491 -5.116 6.896 1.00 0.00 C ATOM 92 C GLN A 8 -11.967 -5.052 6.975 1.00 0.00 C ATOM 93 O GLN A 8 -11.322 -5.990 7.444 1.00 0.00 O ATOM 94 CB GLN A 8 -14.104 -4.427 8.111 1.00 0.00 C ATOM 95 CG GLN A 8 -15.622 -4.463 8.127 1.00 0.00 C ATOM 96 CD GLN A 8 -16.203 -3.945 9.428 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.468 -2.751 9.573 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.406 -4.844 10.385 1.00 0.00 N ATOM 0 HA GLN A 8 -13.809 -4.596 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.728 -4.903 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.773 -3.389 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.005 -3.866 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.959 -5.487 7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.172 -5.823 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.796 -4.555 11.282 1.00 0.00 H new ATOM 107 N PRO A 9 -11.376 -3.935 6.513 1.00 0.00 N ATOM 108 CA PRO A 9 -9.929 -3.738 6.511 1.00 0.00 C ATOM 109 C PRO A 9 -9.391 -3.080 7.777 1.00 0.00 C ATOM 110 O PRO A 9 -10.033 -3.071 8.826 1.00 0.00 O ATOM 111 CB PRO A 9 -9.747 -2.789 5.341 1.00 0.00 C ATOM 112 CG PRO A 9 -10.939 -1.905 5.427 1.00 0.00 C ATOM 113 CD PRO A 9 -12.069 -2.773 5.928 1.00 0.00 C ATOM 0 HA PRO A 9 -9.396 -4.687 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.820 -2.222 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.711 -3.324 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.758 -1.071 6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.178 -1.477 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.677 -2.253 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.737 -3.069 5.119 1.00 0.00 H new ATOM 121 N THR A 10 -8.194 -2.524 7.628 1.00 0.00 N ATOM 122 CA THR A 10 -7.473 -1.837 8.691 1.00 0.00 C ATOM 123 C THR A 10 -6.066 -1.537 8.192 1.00 0.00 C ATOM 124 O THR A 10 -5.540 -0.439 8.359 1.00 0.00 O ATOM 125 CB THR A 10 -7.392 -2.682 9.980 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.505 -2.065 10.921 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.920 -4.092 9.680 1.00 0.00 C ATOM 0 H THR A 10 -7.687 -2.539 6.743 1.00 0.00 H new ATOM 0 HA THR A 10 -8.009 -0.921 8.939 1.00 0.00 H new ATOM 0 HB THR A 10 -8.393 -2.737 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.462 -2.609 11.735 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.872 -4.665 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.618 -4.571 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.930 -4.055 9.225 1.00 0.00 H new ATOM 135 N GLU A 11 -5.481 -2.552 7.568 1.00 0.00 N ATOM 136 CA GLU A 11 -4.153 -2.475 6.980 1.00 0.00 C ATOM 137 C GLU A 11 -3.918 -3.703 6.128 1.00 0.00 C ATOM 138 O GLU A 11 -4.243 -4.819 6.535 1.00 0.00 O ATOM 139 CB GLU A 11 -3.070 -2.372 8.045 1.00 0.00 C ATOM 140 CG GLU A 11 -3.064 -3.536 9.015 1.00 0.00 C ATOM 141 CD GLU A 11 -1.956 -3.434 10.047 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.124 -2.674 11.023 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.923 -4.115 9.876 1.00 0.00 O ATOM 0 H GLU A 11 -5.924 -3.464 7.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.101 -1.574 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.097 -2.310 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.207 -1.445 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.026 -3.583 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.952 -4.467 8.459 1.00 0.00 H new ATOM 150 N PHE A 12 -3.360 -3.507 4.952 1.00 0.00 N ATOM 151 CA PHE A 12 -3.094 -4.628 4.072 1.00 0.00 C ATOM 152 C PHE A 12 -1.621 -4.683 3.723 1.00 0.00 C ATOM 153 O PHE A 12 -1.025 -3.693 3.296 1.00 0.00 O ATOM 154 CB PHE A 12 -3.985 -4.585 2.820 1.00 0.00 C ATOM 155 CG PHE A 12 -3.577 -3.598 1.761 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.655 -3.946 0.789 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.145 -2.334 1.718 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.307 -3.055 -0.207 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.796 -1.435 0.728 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.876 -1.800 -0.237 1.00 0.00 C ATOM 0 H PHE A 12 -3.085 -2.596 4.586 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.346 -5.548 4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.003 -5.580 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.005 -4.356 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.202 -4.926 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.869 -2.048 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.590 -3.341 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.240 -0.451 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.603 -1.102 -1.014 1.00 0.00 H new ATOM 170 N ILE A 13 -1.037 -5.852 3.928 1.00 0.00 N ATOM 171 CA ILE A 13 0.374 -6.054 3.673 1.00 0.00 C ATOM 172 C ILE A 13 0.658 -6.287 2.201 1.00 0.00 C ATOM 173 O ILE A 13 0.371 -7.354 1.668 1.00 0.00 O ATOM 174 CB ILE A 13 0.912 -7.256 4.462 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.519 -7.153 5.936 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.420 -7.338 4.307 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.328 -8.498 6.599 1.00 0.00 C ATOM 0 H ILE A 13 -1.525 -6.679 4.273 1.00 0.00 H new ATOM 0 HA ILE A 13 0.875 -5.141 3.994 1.00 0.00 H new ATOM 0 HB ILE A 13 0.470 -8.169 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.288 -6.597 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.404 -6.580 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.798 -8.192 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.672 -7.457 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.875 -6.424 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.050 -8.353 7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.462 -9.047 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.257 -9.065 6.546 1.00 0.00 H new ATOM 189 N SER A 14 1.223 -5.288 1.549 1.00 0.00 N ATOM 190 CA SER A 14 1.570 -5.412 0.147 1.00 0.00 C ATOM 191 C SER A 14 3.066 -5.268 -0.023 1.00 0.00 C ATOM 192 O SER A 14 3.666 -4.292 0.427 1.00 0.00 O ATOM 193 CB SER A 14 0.847 -4.353 -0.683 1.00 0.00 C ATOM 194 OG SER A 14 0.589 -4.823 -1.990 1.00 0.00 O ATOM 0 H SER A 14 1.450 -4.385 1.966 1.00 0.00 H new ATOM 0 HA SER A 14 1.259 -6.396 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.091 -4.084 -0.198 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.452 -3.448 -0.731 1.00 0.00 H new ATOM 0 HG SER A 14 0.797 -4.118 -2.638 1.00 0.00 H new ATOM 200 N ARG A 15 3.659 -6.246 -0.678 1.00 0.00 N ATOM 201 CA ARG A 15 5.079 -6.233 -0.932 1.00 0.00 C ATOM 202 C ARG A 15 5.316 -5.645 -2.299 1.00 0.00 C ATOM 203 O ARG A 15 4.414 -5.637 -3.132 1.00 0.00 O ATOM 204 CB ARG A 15 5.660 -7.639 -0.838 1.00 0.00 C ATOM 205 CG ARG A 15 5.878 -8.104 0.591 1.00 0.00 C ATOM 206 CD ARG A 15 6.406 -9.527 0.644 1.00 0.00 C ATOM 207 NE ARG A 15 5.413 -10.495 0.184 1.00 0.00 N ATOM 208 CZ ARG A 15 5.196 -11.668 0.774 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.902 -12.018 1.842 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.274 -12.492 0.296 1.00 0.00 N ATOM 0 H ARG A 15 3.172 -7.064 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 15 5.580 -5.624 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.990 -8.336 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.610 -7.669 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.582 -7.436 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.939 -8.044 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.301 -9.605 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.701 -9.767 1.666 1.00 0.00 H new ATOM 0 HE ARG A 15 4.854 -10.258 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.613 -11.387 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.734 -12.918 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.730 -12.227 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.109 -13.391 0.749 1.00 0.00 H new ATOM 224 N HIS A 16 6.515 -5.145 -2.534 1.00 0.00 N ATOM 225 CA HIS A 16 6.822 -4.537 -3.814 1.00 0.00 C ATOM 226 C HIS A 16 8.307 -4.250 -3.943 1.00 0.00 C ATOM 227 O HIS A 16 9.073 -4.455 -3.006 1.00 0.00 O ATOM 228 CB HIS A 16 6.049 -3.229 -3.938 1.00 0.00 C ATOM 229 CG HIS A 16 6.364 -2.273 -2.836 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.636 -1.799 -2.612 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.583 -1.723 -1.876 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.630 -1.001 -1.567 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.396 -0.935 -1.102 1.00 0.00 N ATOM 0 H HIS A 16 7.284 -5.147 -1.864 1.00 0.00 H new ATOM 0 HA HIS A 16 6.536 -5.230 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.280 -2.763 -4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.980 -3.441 -3.936 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.457 -2.031 -3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.522 -1.876 -1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.488 -0.487 -1.159 1.00 0.00 H new ATOM 242 N ASN A 17 8.705 -3.772 -5.112 1.00 0.00 N ATOM 243 CA ASN A 17 10.094 -3.416 -5.346 1.00 0.00 C ATOM 244 C ASN A 17 10.302 -1.965 -4.935 1.00 0.00 C ATOM 245 O ASN A 17 9.345 -1.290 -4.561 1.00 0.00 O ATOM 246 CB ASN A 17 10.467 -3.615 -6.816 1.00 0.00 C ATOM 247 CG ASN A 17 9.526 -2.893 -7.760 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.822 -1.965 -7.364 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.521 -3.308 -9.019 1.00 0.00 N ATOM 0 H ASN A 17 8.088 -3.622 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 17 10.739 -4.064 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.484 -3.259 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.461 -4.680 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.917 -2.853 -9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.122 -4.082 -9.303 1.00 0.00 H new ATOM 256 N ILE A 18 11.532 -1.480 -4.995 1.00 0.00 N ATOM 257 CA ILE A 18 11.801 -0.100 -4.613 1.00 0.00 C ATOM 258 C ILE A 18 10.856 0.859 -5.338 1.00 0.00 C ATOM 259 O ILE A 18 10.403 1.853 -4.767 1.00 0.00 O ATOM 260 CB ILE A 18 13.249 0.307 -4.917 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.506 1.728 -4.409 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.516 0.199 -6.409 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.370 1.868 -2.910 1.00 0.00 C ATOM 0 H ILE A 18 12.349 -2.010 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 18 11.639 -0.037 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 18 13.933 -0.368 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.509 2.035 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.808 2.410 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.546 0.490 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.357 -0.829 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.837 0.859 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.566 2.901 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.359 1.593 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.087 1.212 -2.417 1.00 0.00 H new ATOM 275 N GLU A 19 10.565 0.545 -6.598 1.00 0.00 N ATOM 276 CA GLU A 19 9.667 1.367 -7.412 1.00 0.00 C ATOM 277 C GLU A 19 8.306 1.468 -6.755 1.00 0.00 C ATOM 278 O GLU A 19 7.627 2.491 -6.837 1.00 0.00 O ATOM 279 CB GLU A 19 9.465 0.746 -8.797 1.00 0.00 C ATOM 280 CG GLU A 19 10.578 1.008 -9.789 1.00 0.00 C ATOM 281 CD GLU A 19 10.929 2.479 -9.904 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.251 3.193 -10.673 1.00 0.00 O ATOM 283 OE2 GLU A 19 11.881 2.917 -9.225 1.00 0.00 O ATOM 0 H GLU A 19 10.937 -0.273 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 19 10.124 2.352 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.349 -0.332 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.532 1.124 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.465 0.450 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.281 0.632 -10.768 1.00 0.00 H new ATOM 290 N GLY A 20 7.927 0.388 -6.098 1.00 0.00 N ATOM 291 CA GLY A 20 6.639 0.322 -5.452 1.00 0.00 C ATOM 292 C GLY A 20 5.765 -0.737 -6.086 1.00 0.00 C ATOM 293 O GLY A 20 4.695 -1.063 -5.571 1.00 0.00 O ATOM 0 H GLY A 20 8.496 -0.453 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.771 0.102 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.146 1.292 -5.517 1.00 0.00 H new ATOM 297 N ILE A 21 6.227 -1.274 -7.218 1.00 0.00 N ATOM 298 CA ILE A 21 5.503 -2.311 -7.927 1.00 0.00 C ATOM 299 C ILE A 21 5.217 -3.481 -7.008 1.00 0.00 C ATOM 300 O ILE A 21 6.124 -4.201 -6.598 1.00 0.00 O ATOM 301 CB ILE A 21 6.290 -2.818 -9.128 1.00 0.00 C ATOM 302 CG1 ILE A 21 6.866 -1.632 -9.918 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.386 -3.702 -9.973 1.00 0.00 C ATOM 304 CD1 ILE A 21 5.853 -0.856 -10.727 1.00 0.00 C ATOM 0 H ILE A 21 7.105 -1.000 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 21 4.568 -1.870 -8.274 1.00 0.00 H new ATOM 0 HB ILE A 21 7.138 -3.421 -8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.351 -0.950 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.639 -2.003 -10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.941 -4.070 -10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.041 -4.546 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.527 -3.124 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.352 -0.040 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.384 -1.518 -11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.091 -0.449 -10.062 1.00 0.00 H new ATOM 316 N PHE A 22 3.946 -3.691 -6.744 1.00 0.00 N ATOM 317 CA PHE A 22 3.501 -4.730 -5.838 1.00 0.00 C ATOM 318 C PHE A 22 3.889 -6.134 -6.280 1.00 0.00 C ATOM 319 O PHE A 22 3.310 -6.691 -7.210 1.00 0.00 O ATOM 320 CB PHE A 22 1.994 -4.644 -5.693 1.00 0.00 C ATOM 321 CG PHE A 22 1.527 -3.489 -4.844 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.213 -3.111 -3.696 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.393 -2.788 -5.194 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.762 -2.052 -2.926 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.061 -1.738 -4.430 1.00 0.00 C ATOM 326 CZ PHE A 22 0.623 -1.369 -3.299 1.00 0.00 C ATOM 0 H PHE A 22 3.188 -3.144 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 22 4.002 -4.558 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.548 -4.558 -6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.627 -5.574 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.104 -3.647 -3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.149 -3.068 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.300 -1.762 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.954 -1.205 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.269 -0.543 -2.700 1.00 0.00 H new ATOM 336 N THR A 23 4.869 -6.703 -5.596 1.00 0.00 N ATOM 337 CA THR A 23 5.297 -8.060 -5.869 1.00 0.00 C ATOM 338 C THR A 23 4.399 -9.013 -5.085 1.00 0.00 C ATOM 339 O THR A 23 4.517 -10.235 -5.173 1.00 0.00 O ATOM 340 CB THR A 23 6.771 -8.273 -5.481 1.00 0.00 C ATOM 341 OG1 THR A 23 6.940 -8.095 -4.069 1.00 0.00 O ATOM 342 CG2 THR A 23 7.653 -7.288 -6.233 1.00 0.00 C ATOM 0 H THR A 23 5.383 -6.242 -4.845 1.00 0.00 H new ATOM 0 HA THR A 23 5.214 -8.255 -6.938 1.00 0.00 H new ATOM 0 HB THR A 23 7.061 -9.289 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.881 -8.234 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.695 -7.445 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.538 -7.443 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.359 -6.269 -5.980 1.00 0.00 H new ATOM 350 N PHE A 24 3.495 -8.402 -4.315 1.00 0.00 N ATOM 351 CA PHE A 24 2.523 -9.111 -3.494 1.00 0.00 C ATOM 352 C PHE A 24 1.558 -8.107 -2.871 1.00 0.00 C ATOM 353 O PHE A 24 1.913 -6.956 -2.637 1.00 0.00 O ATOM 354 CB PHE A 24 3.202 -9.925 -2.389 1.00 0.00 C ATOM 355 CG PHE A 24 2.249 -10.386 -1.313 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.554 -11.578 -1.447 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.030 -9.614 -0.178 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.665 -11.993 -0.471 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.140 -10.024 0.796 1.00 0.00 C ATOM 360 CZ PHE A 24 0.458 -11.212 0.652 1.00 0.00 C ATOM 0 H PHE A 24 3.421 -7.387 -4.247 1.00 0.00 H new ATOM 0 HA PHE A 24 1.981 -9.806 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.685 -10.795 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.988 -9.322 -1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.708 -12.190 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.562 -8.682 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.133 -12.926 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.979 -9.412 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.237 -11.533 1.414 1.00 0.00 H new ATOM 370 N VAL A 25 0.331 -8.545 -2.632 1.00 0.00 N ATOM 371 CA VAL A 25 -0.687 -7.705 -2.015 1.00 0.00 C ATOM 372 C VAL A 25 -1.612 -8.560 -1.171 1.00 0.00 C ATOM 373 O VAL A 25 -2.165 -9.554 -1.638 1.00 0.00 O ATOM 374 CB VAL A 25 -1.527 -6.915 -3.047 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.248 -5.762 -2.377 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.671 -6.405 -4.189 1.00 0.00 C ATOM 0 H VAL A 25 0.013 -9.487 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.162 -6.976 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.266 -7.601 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.833 -5.219 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.912 -6.148 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.518 -5.089 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.295 -5.855 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.102 -5.744 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.204 -7.248 -4.698 1.00 0.00 H new ATOM 386 N ASP A 26 -1.750 -8.178 0.081 1.00 0.00 N ATOM 387 CA ASP A 26 -2.599 -8.894 1.012 1.00 0.00 C ATOM 388 C ASP A 26 -4.073 -8.674 0.657 1.00 0.00 C ATOM 389 O ASP A 26 -4.486 -7.558 0.351 1.00 0.00 O ATOM 390 CB ASP A 26 -2.264 -8.436 2.428 1.00 0.00 C ATOM 391 CG ASP A 26 -3.378 -8.694 3.422 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.922 -9.819 3.423 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.705 -7.774 4.199 1.00 0.00 O ATOM 0 H ASP A 26 -1.280 -7.366 0.482 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.420 -9.967 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.362 -8.947 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.039 -7.369 2.414 1.00 0.00 H new ATOM 398 N HIS A 27 -4.851 -9.757 0.691 1.00 0.00 N ATOM 399 CA HIS A 27 -6.272 -9.728 0.320 1.00 0.00 C ATOM 400 C HIS A 27 -7.086 -8.653 1.044 1.00 0.00 C ATOM 401 O HIS A 27 -8.219 -8.380 0.657 1.00 0.00 O ATOM 402 CB HIS A 27 -6.904 -11.101 0.547 1.00 0.00 C ATOM 403 CG HIS A 27 -7.145 -11.429 1.989 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.406 -11.495 2.544 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.279 -11.714 2.990 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.304 -11.806 3.825 1.00 0.00 C ATOM 407 NE2 HIS A 27 -7.025 -11.944 4.120 1.00 0.00 N ATOM 0 H HIS A 27 -4.518 -10.678 0.975 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.299 -9.467 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.852 -11.146 0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.257 -11.864 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.202 -11.753 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.128 -11.927 4.513 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.651 -12.183 5.038 1.00 0.00 H new ATOM 416 N ARG A 28 -6.536 -8.052 2.091 1.00 0.00 N ATOM 417 CA ARG A 28 -7.260 -7.004 2.806 1.00 0.00 C ATOM 418 C ARG A 28 -7.405 -5.776 1.919 1.00 0.00 C ATOM 419 O ARG A 28 -8.321 -4.972 2.086 1.00 0.00 O ATOM 420 CB ARG A 28 -6.549 -6.629 4.107 1.00 0.00 C ATOM 421 CG ARG A 28 -6.864 -7.563 5.261 1.00 0.00 C ATOM 422 CD ARG A 28 -6.969 -6.802 6.573 1.00 0.00 C ATOM 423 NE ARG A 28 -7.311 -7.680 7.689 1.00 0.00 N ATOM 424 CZ ARG A 28 -6.655 -7.694 8.847 1.00 0.00 C ATOM 425 NH1 ARG A 28 -5.624 -6.883 9.040 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.031 -8.522 9.812 1.00 0.00 N ATOM 0 H ARG A 28 -5.609 -8.265 2.460 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.249 -7.386 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.473 -6.627 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.830 -5.613 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.801 -8.085 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.086 -8.323 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.022 -6.304 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.725 -6.022 6.480 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.098 -8.319 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.331 -6.245 8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.124 -6.897 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.823 -9.148 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.528 -8.533 10.699 1.00 0.00 H new ATOM 440 N CYS A 29 -6.479 -5.653 0.978 1.00 0.00 N ATOM 441 CA CYS A 29 -6.433 -4.542 0.046 1.00 0.00 C ATOM 442 C CYS A 29 -7.769 -4.272 -0.646 1.00 0.00 C ATOM 443 O CYS A 29 -8.029 -3.149 -1.055 1.00 0.00 O ATOM 444 CB CYS A 29 -5.367 -4.822 -1.001 1.00 0.00 C ATOM 445 SG CYS A 29 -5.719 -6.256 -2.036 1.00 0.00 S ATOM 0 H CYS A 29 -5.730 -6.332 0.841 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.197 -3.648 0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.258 -3.944 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.411 -4.973 -0.500 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.706 -5.982 -2.836 1.00 0.00 H new ATOM 451 N VAL A 30 -8.610 -5.285 -0.811 1.00 0.00 N ATOM 452 CA VAL A 30 -9.894 -5.061 -1.469 1.00 0.00 C ATOM 453 C VAL A 30 -10.871 -4.376 -0.512 1.00 0.00 C ATOM 454 O VAL A 30 -11.732 -3.611 -0.932 1.00 0.00 O ATOM 455 CB VAL A 30 -10.506 -6.364 -2.040 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.534 -7.526 -1.924 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.817 -6.693 -1.357 1.00 0.00 C ATOM 0 H VAL A 30 -8.436 -6.244 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.708 -4.404 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.706 -6.198 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.993 -8.426 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.625 -7.297 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.286 -7.690 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.225 -7.612 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.647 -6.826 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.523 -5.878 -1.513 1.00 0.00 H new ATOM 467 N ALA A 31 -10.757 -4.679 0.772 1.00 0.00 N ATOM 468 CA ALA A 31 -11.607 -4.049 1.770 1.00 0.00 C ATOM 469 C ALA A 31 -11.053 -2.678 2.116 1.00 0.00 C ATOM 470 O ALA A 31 -11.783 -1.766 2.500 1.00 0.00 O ATOM 471 CB ALA A 31 -11.688 -4.906 3.018 1.00 0.00 C ATOM 0 H ALA A 31 -10.089 -5.353 1.146 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.612 -3.942 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.328 -4.418 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.105 -5.881 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.690 -5.036 3.436 1.00 0.00 H new ATOM 477 N THR A 32 -9.744 -2.553 1.943 1.00 0.00 N ATOM 478 CA THR A 32 -9.016 -1.331 2.251 1.00 0.00 C ATOM 479 C THR A 32 -9.089 -0.301 1.131 1.00 0.00 C ATOM 480 O THR A 32 -9.560 0.819 1.334 1.00 0.00 O ATOM 481 CB THR A 32 -7.540 -1.670 2.483 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.424 -2.787 3.374 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.793 -0.487 3.054 1.00 0.00 C ATOM 0 H THR A 32 -9.154 -3.303 1.582 1.00 0.00 H new ATOM 0 HA THR A 32 -9.480 -0.901 3.139 1.00 0.00 H new ATOM 0 HB THR A 32 -7.099 -1.926 1.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.848 -3.573 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.748 -0.756 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.853 0.351 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.238 -0.201 4.007 1.00 0.00 H new ATOM 491 N VAL A 33 -8.623 -0.686 -0.049 1.00 0.00 N ATOM 492 CA VAL A 33 -8.610 0.205 -1.195 1.00 0.00 C ATOM 493 C VAL A 33 -9.489 -0.312 -2.321 1.00 0.00 C ATOM 494 O VAL A 33 -9.417 0.172 -3.445 1.00 0.00 O ATOM 495 CB VAL A 33 -7.177 0.410 -1.706 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.350 1.095 -0.637 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.551 -0.915 -2.087 1.00 0.00 C ATOM 0 H VAL A 33 -8.247 -1.616 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.013 1.162 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.206 1.039 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.333 1.240 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.792 2.063 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.330 0.476 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.536 -0.748 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.524 -1.569 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.142 -1.384 -2.874 1.00 0.00 H new ATOM 507 N GLY A 34 -10.298 -1.317 -2.018 1.00 0.00 N ATOM 508 CA GLY A 34 -11.204 -1.867 -3.023 1.00 0.00 C ATOM 509 C GLY A 34 -10.500 -2.726 -4.051 1.00 0.00 C ATOM 510 O GLY A 34 -11.082 -3.666 -4.591 1.00 0.00 O ATOM 0 H GLY A 34 -10.348 -1.763 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.971 -2.461 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.714 -1.048 -3.530 1.00 0.00 H new ATOM 514 N TYR A 35 -9.247 -2.397 -4.322 1.00 0.00 N ATOM 515 CA TYR A 35 -8.453 -3.122 -5.295 1.00 0.00 C ATOM 516 C TYR A 35 -8.042 -4.489 -4.787 1.00 0.00 C ATOM 517 O TYR A 35 -7.335 -4.600 -3.787 1.00 0.00 O ATOM 518 CB TYR A 35 -7.210 -2.321 -5.631 1.00 0.00 C ATOM 519 CG TYR A 35 -7.534 -1.031 -6.314 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.270 -1.016 -7.488 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.117 0.170 -5.780 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.580 0.164 -8.113 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.418 1.360 -6.397 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.152 1.357 -7.567 1.00 0.00 C ATOM 525 OH TYR A 35 -8.455 2.546 -8.191 1.00 0.00 O ATOM 0 H TYR A 35 -8.756 -1.623 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.068 -3.265 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.654 -2.116 -4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.559 -2.916 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.605 -1.949 -7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.546 0.175 -4.864 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.156 0.160 -9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.082 2.293 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.075 3.060 -7.632 1.00 0.00 H new ATOM 535 N GLN A 36 -8.494 -5.530 -5.473 1.00 0.00 N ATOM 536 CA GLN A 36 -8.129 -6.881 -5.106 1.00 0.00 C ATOM 537 C GLN A 36 -6.610 -7.000 -5.159 1.00 0.00 C ATOM 538 O GLN A 36 -5.961 -6.200 -5.831 1.00 0.00 O ATOM 539 CB GLN A 36 -8.782 -7.877 -6.066 1.00 0.00 C ATOM 540 CG GLN A 36 -10.290 -7.714 -6.177 1.00 0.00 C ATOM 541 CD GLN A 36 -10.921 -8.745 -7.092 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.325 -9.874 -6.520 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -11.047 -8.529 -8.297 1.00 0.00 N flip ATOM 0 H GLN A 36 -9.111 -5.460 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.478 -7.106 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.338 -7.761 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.558 -8.890 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.734 -7.793 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.518 -6.715 -6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.722 -7.647 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.476 -9.232 -8.899 1.00 0.00 H new ATOM 552 N PRO A 37 -6.004 -7.964 -4.451 1.00 0.00 N ATOM 553 CA PRO A 37 -4.559 -8.114 -4.461 1.00 0.00 C ATOM 554 C PRO A 37 -3.990 -8.065 -5.870 1.00 0.00 C ATOM 555 O PRO A 37 -2.930 -7.492 -6.091 1.00 0.00 O ATOM 556 CB PRO A 37 -4.313 -9.476 -3.834 1.00 0.00 C ATOM 557 CG PRO A 37 -5.560 -9.857 -3.120 1.00 0.00 C ATOM 558 CD PRO A 37 -6.665 -8.950 -3.587 1.00 0.00 C ATOM 0 HA PRO A 37 -4.070 -7.303 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.065 -10.213 -4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.470 -9.436 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.811 -10.898 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.424 -9.766 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.428 -9.505 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.163 -8.468 -2.746 1.00 0.00 H new ATOM 566 N GLN A 38 -4.699 -8.668 -6.818 1.00 0.00 N ATOM 567 CA GLN A 38 -4.258 -8.671 -8.210 1.00 0.00 C ATOM 568 C GLN A 38 -4.418 -7.283 -8.820 1.00 0.00 C ATOM 569 O GLN A 38 -3.640 -6.872 -9.681 1.00 0.00 O ATOM 570 CB GLN A 38 -5.043 -9.694 -9.023 1.00 0.00 C ATOM 571 CG GLN A 38 -6.536 -9.560 -8.847 1.00 0.00 C ATOM 572 CD GLN A 38 -7.303 -10.745 -9.400 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.804 -11.870 -9.419 1.00 0.00 O ATOM 574 NE2 GLN A 38 -8.526 -10.497 -9.855 1.00 0.00 N ATOM 0 H GLN A 38 -5.577 -9.159 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.204 -8.947 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.795 -9.581 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.736 -10.698 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.763 -9.449 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.875 -8.650 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.901 -9.549 -9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.091 -11.255 -10.239 1.00 0.00 H new ATOM 583 N GLU A 39 -5.440 -6.566 -8.360 1.00 0.00 N ATOM 584 CA GLU A 39 -5.722 -5.219 -8.825 1.00 0.00 C ATOM 585 C GLU A 39 -4.601 -4.272 -8.410 1.00 0.00 C ATOM 586 O GLU A 39 -4.534 -3.128 -8.863 1.00 0.00 O ATOM 587 CB GLU A 39 -7.049 -4.754 -8.228 1.00 0.00 C ATOM 588 CG GLU A 39 -8.161 -4.585 -9.246 1.00 0.00 C ATOM 589 CD GLU A 39 -9.523 -4.947 -8.688 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.993 -4.250 -7.767 1.00 0.00 O ATOM 591 OE2 GLU A 39 -10.120 -5.934 -9.170 1.00 0.00 O ATOM 0 H GLU A 39 -6.093 -6.906 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.789 -5.217 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.368 -5.474 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.892 -3.804 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.177 -3.552 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.951 -5.209 -10.115 1.00 0.00 H new ATOM 598 N LEU A 40 -3.724 -4.767 -7.544 1.00 0.00 N ATOM 599 CA LEU A 40 -2.599 -3.991 -7.049 1.00 0.00 C ATOM 600 C LEU A 40 -1.287 -4.595 -7.539 1.00 0.00 C ATOM 601 O LEU A 40 -0.357 -3.885 -7.913 1.00 0.00 O ATOM 602 CB LEU A 40 -2.623 -3.986 -5.521 1.00 0.00 C ATOM 603 CG LEU A 40 -3.306 -2.801 -4.826 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.781 -1.744 -5.809 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.466 -3.312 -3.996 1.00 0.00 C ATOM 0 H LEU A 40 -3.774 -5.714 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.677 -2.970 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.116 -4.900 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.593 -4.034 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.569 -2.319 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.257 -0.928 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.929 -1.358 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.499 -2.186 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.955 -2.474 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.182 -3.818 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.097 -4.012 -3.247 1.00 0.00 H new ATOM 617 N LEU A 41 -1.239 -5.920 -7.537 1.00 0.00 N ATOM 618 CA LEU A 41 -0.062 -6.666 -7.959 1.00 0.00 C ATOM 619 C LEU A 41 0.440 -6.207 -9.321 1.00 0.00 C ATOM 620 O LEU A 41 -0.336 -6.041 -10.262 1.00 0.00 O ATOM 621 CB LEU A 41 -0.389 -8.161 -7.995 1.00 0.00 C ATOM 622 CG LEU A 41 -0.199 -8.901 -6.668 1.00 0.00 C ATOM 623 CD1 LEU A 41 -1.215 -10.027 -6.522 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.220 -9.441 -6.558 1.00 0.00 C ATOM 0 H LEU A 41 -2.017 -6.509 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 41 0.733 -6.479 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.424 -8.283 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.237 -8.636 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.363 -8.192 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.059 -10.537 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.223 -9.613 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.091 -10.737 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.338 -9.964 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.411 -10.132 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.929 -8.614 -6.607 1.00 0.00 H new ATOM 636 N GLY A 42 1.748 -6.003 -9.409 1.00 0.00 N ATOM 637 CA GLY A 42 2.357 -5.568 -10.646 1.00 0.00 C ATOM 638 C GLY A 42 2.227 -4.078 -10.859 1.00 0.00 C ATOM 639 O GLY A 42 2.813 -3.522 -11.787 1.00 0.00 O ATOM 0 H GLY A 42 2.401 -6.133 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.412 -5.841 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.893 -6.093 -11.481 1.00 0.00 H new ATOM 643 N LYS A 43 1.455 -3.430 -9.995 1.00 0.00 N ATOM 644 CA LYS A 43 1.249 -1.996 -10.092 1.00 0.00 C ATOM 645 C LYS A 43 2.124 -1.245 -9.113 1.00 0.00 C ATOM 646 O LYS A 43 2.452 -1.743 -8.040 1.00 0.00 O ATOM 647 CB LYS A 43 -0.195 -1.624 -9.799 1.00 0.00 C ATOM 648 CG LYS A 43 -1.202 -2.286 -10.692 1.00 0.00 C ATOM 649 CD LYS A 43 -2.024 -1.243 -11.374 1.00 0.00 C ATOM 650 CE LYS A 43 -2.917 -1.844 -12.442 1.00 0.00 C ATOM 651 NZ LYS A 43 -2.134 -2.351 -13.603 1.00 0.00 N ATOM 0 H LYS A 43 0.963 -3.877 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 43 1.508 -1.718 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.421 -1.882 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.304 -0.543 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.696 -2.906 -11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.844 -2.946 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.637 -0.723 -10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.367 -0.499 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.498 -2.660 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.628 -1.093 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.773 -2.517 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.416 -1.648 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.666 -3.243 -13.343 1.00 0.00 H new ATOM 665 N ASN A 44 2.470 -0.031 -9.487 1.00 0.00 N ATOM 666 CA ASN A 44 3.281 0.817 -8.636 1.00 0.00 C ATOM 667 C ASN A 44 2.398 1.409 -7.550 1.00 0.00 C ATOM 668 O ASN A 44 1.453 2.139 -7.829 1.00 0.00 O ATOM 669 CB ASN A 44 3.937 1.929 -9.458 1.00 0.00 C ATOM 670 CG ASN A 44 5.146 2.528 -8.776 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.022 3.378 -7.897 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.322 2.101 -9.200 1.00 0.00 N ATOM 0 H ASN A 44 2.202 0.392 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 44 4.074 0.225 -8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.233 1.530 -10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.206 2.715 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.178 2.479 -8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.374 1.393 -9.933 1.00 0.00 H new ATOM 679 N ILE A 45 2.698 1.055 -6.312 1.00 0.00 N ATOM 680 CA ILE A 45 1.945 1.527 -5.166 1.00 0.00 C ATOM 681 C ILE A 45 1.728 3.038 -5.216 1.00 0.00 C ATOM 682 O ILE A 45 0.637 3.527 -4.920 1.00 0.00 O ATOM 683 CB ILE A 45 2.684 1.159 -3.873 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.884 1.574 -2.646 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.049 1.803 -3.864 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.551 1.207 -1.336 1.00 0.00 C ATOM 0 H ILE A 45 3.470 0.432 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 45 0.968 1.045 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 45 2.803 0.076 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.725 2.652 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.901 1.105 -2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.570 1.539 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.624 1.450 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.941 2.886 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.925 1.533 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.686 0.127 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.522 1.697 -1.272 1.00 0.00 H new ATOM 698 N VAL A 46 2.765 3.774 -5.605 1.00 0.00 N ATOM 699 CA VAL A 46 2.680 5.226 -5.669 1.00 0.00 C ATOM 700 C VAL A 46 1.776 5.681 -6.812 1.00 0.00 C ATOM 701 O VAL A 46 1.198 6.763 -6.749 1.00 0.00 O ATOM 702 CB VAL A 46 4.068 5.902 -5.753 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.162 4.936 -5.339 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.336 6.489 -7.133 1.00 0.00 C ATOM 0 H VAL A 46 3.669 3.389 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 46 2.230 5.550 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 46 4.069 6.737 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.130 5.432 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.991 4.611 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.152 4.070 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.322 6.953 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.299 5.695 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.579 7.239 -7.363 1.00 0.00 H new ATOM 714 N GLU A 47 1.685 4.877 -7.874 1.00 0.00 N ATOM 715 CA GLU A 47 0.812 5.218 -8.994 1.00 0.00 C ATOM 716 C GLU A 47 -0.591 5.512 -8.480 1.00 0.00 C ATOM 717 O GLU A 47 -1.327 6.308 -9.064 1.00 0.00 O ATOM 718 CB GLU A 47 0.768 4.092 -10.028 1.00 0.00 C ATOM 719 CG GLU A 47 1.819 4.220 -11.119 1.00 0.00 C ATOM 720 CD GLU A 47 1.700 3.135 -12.172 1.00 0.00 C ATOM 721 OE1 GLU A 47 0.764 3.208 -12.995 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.546 2.216 -12.176 1.00 0.00 O ATOM 0 H GLU A 47 2.196 4.001 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 47 1.214 6.105 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.901 3.138 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.220 4.072 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.726 5.196 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.811 4.178 -10.670 1.00 0.00 H new ATOM 729 N PHE A 48 -0.955 4.856 -7.380 1.00 0.00 N ATOM 730 CA PHE A 48 -2.254 5.072 -6.756 1.00 0.00 C ATOM 731 C PHE A 48 -2.135 6.228 -5.786 1.00 0.00 C ATOM 732 O PHE A 48 -3.067 7.006 -5.597 1.00 0.00 O ATOM 733 CB PHE A 48 -2.723 3.826 -6.005 1.00 0.00 C ATOM 734 CG PHE A 48 -2.902 2.626 -6.879 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.815 1.847 -7.231 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.157 2.281 -7.350 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.981 0.735 -8.041 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.327 1.173 -8.156 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.236 0.401 -8.499 1.00 0.00 C ATOM 0 H PHE A 48 -0.367 4.171 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.986 5.292 -7.533 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.000 3.590 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.668 4.047 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.830 2.107 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.012 2.885 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.128 0.131 -8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.311 0.911 -8.517 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.367 -0.467 -9.128 1.00 0.00 H new ATOM 749 N CYS A 49 -0.963 6.318 -5.173 1.00 0.00 N ATOM 750 CA CYS A 49 -0.664 7.378 -4.218 1.00 0.00 C ATOM 751 C CYS A 49 -0.810 8.750 -4.863 1.00 0.00 C ATOM 752 O CYS A 49 -0.571 8.908 -6.060 1.00 0.00 O ATOM 753 CB CYS A 49 0.765 7.226 -3.694 1.00 0.00 C ATOM 754 SG CYS A 49 1.347 8.630 -2.714 1.00 0.00 S ATOM 0 H CYS A 49 -0.196 5.663 -5.322 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.373 7.295 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.823 6.323 -3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.437 7.084 -4.540 1.00 0.00 H new ATOM 0 HG CYS A 49 1.210 9.725 -3.401 1.00 0.00 H new ATOM 760 N HIS A 50 -1.207 9.740 -4.069 1.00 0.00 N ATOM 761 CA HIS A 50 -1.347 11.097 -4.576 1.00 0.00 C ATOM 762 C HIS A 50 0.012 11.578 -5.072 1.00 0.00 C ATOM 763 O HIS A 50 1.014 11.368 -4.396 1.00 0.00 O ATOM 764 CB HIS A 50 -1.882 12.028 -3.482 1.00 0.00 C ATOM 765 CG HIS A 50 -2.296 13.379 -3.981 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.410 14.289 -4.518 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.514 13.975 -4.022 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.063 15.384 -4.866 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.339 15.218 -4.575 1.00 0.00 N ATOM 0 H HIS A 50 -1.435 9.628 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.061 11.108 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.736 11.552 -3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.114 12.153 -2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.447 13.550 -3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.626 16.265 -5.313 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.077 15.904 -4.735 1.00 0.00 H new ATOM 778 N PRO A 51 0.076 12.211 -6.255 1.00 0.00 N ATOM 779 CA PRO A 51 1.338 12.684 -6.835 1.00 0.00 C ATOM 780 C PRO A 51 2.240 13.404 -5.835 1.00 0.00 C ATOM 781 O PRO A 51 3.381 12.994 -5.610 1.00 0.00 O ATOM 782 CB PRO A 51 0.870 13.635 -7.929 1.00 0.00 C ATOM 783 CG PRO A 51 -0.423 13.057 -8.372 1.00 0.00 C ATOM 784 CD PRO A 51 -1.071 12.535 -7.123 1.00 0.00 C ATOM 0 HA PRO A 51 1.954 11.858 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.746 14.650 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.587 13.686 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.046 13.810 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.269 12.259 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.723 13.280 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.683 11.656 -7.325 1.00 0.00 H new ATOM 792 N GLU A 52 1.725 14.471 -5.235 1.00 0.00 N ATOM 793 CA GLU A 52 2.485 15.258 -4.269 1.00 0.00 C ATOM 794 C GLU A 52 2.970 14.408 -3.096 1.00 0.00 C ATOM 795 O GLU A 52 3.866 14.812 -2.355 1.00 0.00 O ATOM 796 CB GLU A 52 1.624 16.406 -3.750 1.00 0.00 C ATOM 797 CG GLU A 52 1.170 17.364 -4.838 1.00 0.00 C ATOM 798 CD GLU A 52 0.304 18.487 -4.300 1.00 0.00 C ATOM 799 OE1 GLU A 52 -0.931 18.306 -4.240 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.859 19.546 -3.940 1.00 0.00 O ATOM 0 H GLU A 52 0.779 14.813 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 52 3.364 15.651 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.747 15.995 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.187 16.961 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.044 17.788 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.614 16.811 -5.595 1.00 0.00 H new ATOM 807 N ASP A 53 2.375 13.232 -2.934 1.00 0.00 N ATOM 808 CA ASP A 53 2.738 12.334 -1.844 1.00 0.00 C ATOM 809 C ASP A 53 3.598 11.164 -2.315 1.00 0.00 C ATOM 810 O ASP A 53 4.258 10.520 -1.500 1.00 0.00 O ATOM 811 CB ASP A 53 1.482 11.792 -1.168 1.00 0.00 C ATOM 812 CG ASP A 53 0.729 12.857 -0.395 1.00 0.00 C ATOM 813 OD1 ASP A 53 1.041 13.057 0.798 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.172 13.492 -0.983 1.00 0.00 O ATOM 0 H ASP A 53 1.638 12.878 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 53 3.326 12.918 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.824 11.363 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.759 10.984 -0.491 1.00 0.00 H new ATOM 819 N GLN A 54 3.597 10.877 -3.617 1.00 0.00 N ATOM 820 CA GLN A 54 4.378 9.767 -4.134 1.00 0.00 C ATOM 821 C GLN A 54 5.845 9.938 -3.786 1.00 0.00 C ATOM 822 O GLN A 54 6.558 8.965 -3.568 1.00 0.00 O ATOM 823 CB GLN A 54 4.218 9.636 -5.642 1.00 0.00 C ATOM 824 CG GLN A 54 2.783 9.696 -6.114 1.00 0.00 C ATOM 825 CD GLN A 54 2.663 9.564 -7.620 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.561 9.959 -8.363 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.549 9.010 -8.078 1.00 0.00 N ATOM 0 H GLN A 54 3.069 11.394 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 54 4.005 8.856 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.783 10.431 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.656 8.691 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.213 8.900 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.339 10.640 -5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.830 8.696 -7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.411 8.897 -9.082 1.00 0.00 H new ATOM 836 N GLN A 55 6.291 11.184 -3.743 1.00 0.00 N ATOM 837 CA GLN A 55 7.673 11.488 -3.410 1.00 0.00 C ATOM 838 C GLN A 55 8.012 10.948 -2.028 1.00 0.00 C ATOM 839 O GLN A 55 9.064 10.350 -1.811 1.00 0.00 O ATOM 840 CB GLN A 55 7.887 12.999 -3.440 1.00 0.00 C ATOM 841 CG GLN A 55 9.328 13.423 -3.668 1.00 0.00 C ATOM 842 CD GLN A 55 10.330 12.607 -2.878 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.663 12.939 -1.741 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.817 11.530 -3.483 1.00 0.00 N ATOM 0 H GLN A 55 5.714 12.003 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 55 8.326 11.014 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.266 13.426 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.541 13.422 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.559 13.339 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.436 14.474 -3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.512 11.293 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.496 10.939 -3.004 1.00 0.00 H new ATOM 853 N LEU A 56 7.090 11.164 -1.109 1.00 0.00 N ATOM 854 CA LEU A 56 7.236 10.736 0.268 1.00 0.00 C ATOM 855 C LEU A 56 7.135 9.223 0.367 1.00 0.00 C ATOM 856 O LEU A 56 7.882 8.586 1.110 1.00 0.00 O ATOM 857 CB LEU A 56 6.156 11.411 1.115 1.00 0.00 C ATOM 858 CG LEU A 56 5.817 10.725 2.434 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.322 11.545 3.609 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.315 10.502 2.525 1.00 0.00 C ATOM 0 H LEU A 56 6.211 11.646 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 56 8.218 11.027 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.475 12.431 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.246 11.481 0.520 1.00 0.00 H new ATOM 0 HG LEU A 56 6.314 9.756 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.070 11.039 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.404 11.656 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.855 12.530 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.076 10.012 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.801 11.462 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.990 9.872 1.697 1.00 0.00 H new ATOM 872 N LEU A 57 6.203 8.658 -0.384 1.00 0.00 N ATOM 873 CA LEU A 57 6.006 7.220 -0.398 1.00 0.00 C ATOM 874 C LEU A 57 7.270 6.531 -0.885 1.00 0.00 C ATOM 875 O LEU A 57 7.834 5.673 -0.202 1.00 0.00 O ATOM 876 CB LEU A 57 4.830 6.862 -1.304 1.00 0.00 C ATOM 877 CG LEU A 57 4.413 5.395 -1.270 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.134 4.965 0.159 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.193 5.165 -2.150 1.00 0.00 C ATOM 0 H LEU A 57 5.570 9.176 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 57 5.785 6.881 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.974 7.474 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.087 7.127 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 57 5.231 4.790 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.837 3.916 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.034 5.095 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.330 5.575 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.911 4.113 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.365 5.776 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.428 5.441 -3.178 1.00 0.00 H new ATOM 891 N ARG A 58 7.702 6.919 -2.074 1.00 0.00 N ATOM 892 CA ARG A 58 8.912 6.373 -2.667 1.00 0.00 C ATOM 893 C ARG A 58 10.089 6.616 -1.737 1.00 0.00 C ATOM 894 O ARG A 58 10.955 5.758 -1.578 1.00 0.00 O ATOM 895 CB ARG A 58 9.181 7.018 -4.028 1.00 0.00 C ATOM 896 CG ARG A 58 8.056 6.824 -5.031 1.00 0.00 C ATOM 897 CD ARG A 58 8.338 7.567 -6.328 1.00 0.00 C ATOM 898 NE ARG A 58 7.114 7.913 -7.042 1.00 0.00 N ATOM 899 CZ ARG A 58 7.081 8.245 -8.330 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.202 8.275 -9.039 1.00 0.00 N ATOM 901 NH2 ARG A 58 5.928 8.546 -8.910 1.00 0.00 N ATOM 0 H ARG A 58 7.229 7.615 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 58 8.780 5.301 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.349 8.086 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.100 6.602 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.930 5.761 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.119 7.179 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.898 8.476 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.968 6.950 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 58 6.235 7.900 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.091 8.043 -8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.174 8.530 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.064 8.523 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.905 8.800 -9.898 1.00 0.00 H new ATOM 915 N ASP A 59 10.103 7.795 -1.116 1.00 0.00 N ATOM 916 CA ASP A 59 11.164 8.160 -0.183 1.00 0.00 C ATOM 917 C ASP A 59 11.297 7.102 0.884 1.00 0.00 C ATOM 918 O ASP A 59 12.400 6.657 1.199 1.00 0.00 O ATOM 919 CB ASP A 59 10.878 9.514 0.456 1.00 0.00 C ATOM 920 CG ASP A 59 11.967 9.945 1.417 1.00 0.00 C ATOM 921 OD1 ASP A 59 13.033 10.393 0.945 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.755 9.832 2.643 1.00 0.00 O ATOM 0 H ASP A 59 9.390 8.513 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 59 12.101 8.232 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.770 10.265 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.927 9.468 0.987 1.00 0.00 H new ATOM 927 N SER A 60 10.165 6.704 1.440 1.00 0.00 N ATOM 928 CA SER A 60 10.157 5.675 2.458 1.00 0.00 C ATOM 929 C SER A 60 10.893 4.446 1.943 1.00 0.00 C ATOM 930 O SER A 60 11.865 4.002 2.545 1.00 0.00 O ATOM 931 CB SER A 60 8.722 5.319 2.854 1.00 0.00 C ATOM 932 OG SER A 60 8.368 4.022 2.405 1.00 0.00 O ATOM 0 H SER A 60 9.246 7.077 1.203 1.00 0.00 H new ATOM 0 HA SER A 60 10.666 6.048 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.618 5.371 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.034 6.052 2.432 1.00 0.00 H new ATOM 0 HG SER A 60 8.054 4.071 1.478 1.00 0.00 H new ATOM 938 N PHE A 61 10.447 3.930 0.801 1.00 0.00 N ATOM 939 CA PHE A 61 11.062 2.754 0.200 1.00 0.00 C ATOM 940 C PHE A 61 12.556 2.951 0.019 1.00 0.00 C ATOM 941 O PHE A 61 13.333 2.008 0.163 1.00 0.00 O ATOM 942 CB PHE A 61 10.416 2.450 -1.150 1.00 0.00 C ATOM 943 CG PHE A 61 8.916 2.391 -1.088 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.278 1.851 0.018 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.145 2.881 -2.128 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.900 1.801 0.086 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.766 2.832 -2.067 1.00 0.00 C ATOM 948 CZ PHE A 61 6.143 2.292 -0.958 1.00 0.00 C ATOM 0 H PHE A 61 9.661 4.310 0.274 1.00 0.00 H new ATOM 0 HA PHE A 61 10.903 1.912 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.714 3.214 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.796 1.498 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.867 1.464 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.627 3.306 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.416 1.379 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.175 3.215 -2.886 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.065 2.254 -0.908 1.00 0.00 H new ATOM 958 N GLN A 62 12.956 4.178 -0.289 1.00 0.00 N ATOM 959 CA GLN A 62 14.363 4.475 -0.489 1.00 0.00 C ATOM 960 C GLN A 62 15.109 4.364 0.828 1.00 0.00 C ATOM 961 O GLN A 62 16.264 3.959 0.864 1.00 0.00 O ATOM 962 CB GLN A 62 14.542 5.879 -1.071 1.00 0.00 C ATOM 963 CG GLN A 62 13.751 6.115 -2.346 1.00 0.00 C ATOM 964 CD GLN A 62 14.610 6.628 -3.487 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.873 6.215 -3.515 1.00 0.00 O flip ATOM 966 NE2 GLN A 62 14.141 7.384 -4.339 1.00 0.00 N flip ATOM 0 H GLN A 62 12.330 4.975 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 62 14.771 3.752 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.240 6.614 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.600 6.047 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.272 5.184 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.955 6.832 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.166 7.677 -4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.728 7.717 -5.104 1.00 0.00 H new ATOM 975 N GLN A 63 14.425 4.708 1.909 1.00 0.00 N ATOM 976 CA GLN A 63 15.014 4.666 3.232 1.00 0.00 C ATOM 977 C GLN A 63 15.068 3.244 3.797 1.00 0.00 C ATOM 978 O GLN A 63 16.060 2.855 4.410 1.00 0.00 O ATOM 979 CB GLN A 63 14.210 5.567 4.151 1.00 0.00 C ATOM 980 CG GLN A 63 14.234 7.032 3.736 1.00 0.00 C ATOM 981 CD GLN A 63 15.622 7.639 3.808 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.441 7.144 4.732 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.956 8.544 3.045 1.00 0.00 N flip ATOM 0 H GLN A 63 13.454 5.021 1.891 1.00 0.00 H new ATOM 0 HA GLN A 63 16.044 5.016 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.177 5.221 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.599 5.478 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.855 7.123 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.561 7.598 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.297 8.895 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.892 8.944 3.107 1.00 0.00 H new ATOM 992 N VAL A 64 14.000 2.473 3.595 1.00 0.00 N ATOM 993 CA VAL A 64 13.949 1.097 4.101 1.00 0.00 C ATOM 994 C VAL A 64 14.998 0.242 3.424 1.00 0.00 C ATOM 995 O VAL A 64 15.593 -0.642 4.035 1.00 0.00 O ATOM 996 CB VAL A 64 12.557 0.418 3.904 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.480 1.432 3.572 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.602 -0.665 2.826 1.00 0.00 C ATOM 0 H VAL A 64 13.165 2.771 3.090 1.00 0.00 H new ATOM 0 HA VAL A 64 14.140 1.169 5.172 1.00 0.00 H new ATOM 0 HB VAL A 64 12.306 -0.053 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.526 0.921 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.397 2.154 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.741 1.952 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.614 -1.113 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.904 -0.222 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.320 -1.433 3.112 1.00 0.00 H new ATOM 1008 N VAL A 65 15.206 0.517 2.152 1.00 0.00 N ATOM 1009 CA VAL A 65 16.152 -0.225 1.356 1.00 0.00 C ATOM 1010 C VAL A 65 17.574 0.275 1.593 1.00 0.00 C ATOM 1011 O VAL A 65 18.537 -0.483 1.487 1.00 0.00 O ATOM 1012 CB VAL A 65 15.774 -0.121 -0.127 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.102 1.259 -0.675 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.440 -1.216 -0.931 1.00 0.00 C ATOM 0 H VAL A 65 14.724 1.260 1.646 1.00 0.00 H new ATOM 0 HA VAL A 65 16.118 -1.273 1.655 1.00 0.00 H new ATOM 0 HB VAL A 65 14.697 -0.259 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.825 1.308 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.546 2.013 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.171 1.447 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.157 -1.121 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.523 -1.128 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.121 -2.188 -0.555 1.00 0.00 H new ATOM 1024 N LYS A 66 17.695 1.560 1.912 1.00 0.00 N ATOM 1025 CA LYS A 66 18.992 2.158 2.199 1.00 0.00 C ATOM 1026 C LYS A 66 19.518 1.625 3.518 1.00 0.00 C ATOM 1027 O LYS A 66 20.699 1.306 3.659 1.00 0.00 O ATOM 1028 CB LYS A 66 18.871 3.678 2.287 1.00 0.00 C ATOM 1029 CG LYS A 66 19.058 4.380 0.953 1.00 0.00 C ATOM 1030 CD LYS A 66 18.800 5.875 1.063 1.00 0.00 C ATOM 1031 CE LYS A 66 19.805 6.553 1.982 1.00 0.00 C ATOM 1032 NZ LYS A 66 21.204 6.361 1.513 1.00 0.00 N ATOM 0 H LYS A 66 16.909 2.207 1.978 1.00 0.00 H new ATOM 0 HA LYS A 66 19.679 1.901 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.890 3.934 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.612 4.053 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.073 4.211 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.382 3.947 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.850 6.327 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.791 6.044 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.584 7.619 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.702 6.153 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.829 7.033 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.509 5.389 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.252 6.527 0.488 1.00 0.00 H new ATOM 1046 N LEU A 67 18.614 1.538 4.480 1.00 0.00 N ATOM 1047 CA LEU A 67 18.935 1.050 5.806 1.00 0.00 C ATOM 1048 C LEU A 67 18.631 -0.437 5.893 1.00 0.00 C ATOM 1049 O LEU A 67 18.792 -1.067 6.939 1.00 0.00 O ATOM 1050 CB LEU A 67 18.123 1.846 6.823 1.00 0.00 C ATOM 1051 CG LEU A 67 18.194 3.363 6.622 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.318 4.084 7.635 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.634 3.842 6.718 1.00 0.00 C ATOM 0 H LEU A 67 17.637 1.805 4.361 1.00 0.00 H new ATOM 0 HA LEU A 67 19.996 1.183 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.081 1.530 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.477 1.605 7.825 1.00 0.00 H new ATOM 0 HG LEU A 67 17.818 3.596 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.384 5.160 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.283 3.762 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.658 3.847 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.669 4.922 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.035 3.595 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.232 3.353 5.949 1.00 0.00 H new ATOM 1065 N LYS A 68 18.198 -0.971 4.755 1.00 0.00 N ATOM 1066 CA LYS A 68 17.848 -2.382 4.597 1.00 0.00 C ATOM 1067 C LYS A 68 17.301 -3.001 5.874 1.00 0.00 C ATOM 1068 O LYS A 68 18.043 -3.538 6.699 1.00 0.00 O ATOM 1069 CB LYS A 68 19.041 -3.183 4.098 1.00 0.00 C ATOM 1070 CG LYS A 68 18.658 -4.245 3.081 1.00 0.00 C ATOM 1071 CD LYS A 68 18.734 -3.714 1.661 1.00 0.00 C ATOM 1072 CE LYS A 68 17.603 -4.264 0.805 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.854 -4.056 -0.648 1.00 0.00 N ATOM 0 H LYS A 68 18.078 -0.427 3.901 1.00 0.00 H new ATOM 0 HA LYS A 68 17.052 -2.420 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.766 -2.504 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.532 -3.660 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.321 -5.104 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.647 -4.596 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.687 -2.625 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.693 -3.986 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.482 -5.329 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.667 -3.780 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.950 -4.071 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.319 -3.137 -0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.469 -4.815 -1.006 1.00 0.00 H new ATOM 1087 N GLY A 69 15.990 -2.922 6.011 1.00 0.00 N ATOM 1088 CA GLY A 69 15.312 -3.479 7.165 1.00 0.00 C ATOM 1089 C GLY A 69 14.592 -2.421 7.968 1.00 0.00 C ATOM 1090 O GLY A 69 13.470 -2.637 8.427 1.00 0.00 O ATOM 0 H GLY A 69 15.372 -2.475 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.597 -4.233 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.038 -3.985 7.802 1.00 0.00 H new ATOM 1094 N GLN A 70 15.243 -1.277 8.145 1.00 0.00 N ATOM 1095 CA GLN A 70 14.649 -0.173 8.881 1.00 0.00 C ATOM 1096 C GLN A 70 13.288 0.160 8.286 1.00 0.00 C ATOM 1097 O GLN A 70 13.187 0.514 7.111 1.00 0.00 O ATOM 1098 CB GLN A 70 15.567 1.045 8.825 1.00 0.00 C ATOM 1099 CG GLN A 70 15.161 2.178 9.750 1.00 0.00 C ATOM 1100 CD GLN A 70 15.359 1.845 11.219 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.268 0.688 11.626 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.634 2.866 12.022 1.00 0.00 N ATOM 0 H GLN A 70 16.181 -1.092 7.789 1.00 0.00 H new ATOM 0 HA GLN A 70 14.519 -0.461 9.924 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.581 0.733 9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.593 1.419 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.742 3.067 9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.113 2.423 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.700 3.810 11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.779 2.706 13.019 1.00 0.00 H new ATOM 1111 N VAL A 71 12.246 0.049 9.097 1.00 0.00 N ATOM 1112 CA VAL A 71 10.896 0.308 8.623 1.00 0.00 C ATOM 1113 C VAL A 71 10.578 1.800 8.577 1.00 0.00 C ATOM 1114 O VAL A 71 10.923 2.563 9.480 1.00 0.00 O ATOM 1115 CB VAL A 71 9.848 -0.436 9.476 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.634 0.254 10.814 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.542 -0.570 8.709 1.00 0.00 C ATOM 0 H VAL A 71 12.309 -0.217 10.080 1.00 0.00 H new ATOM 0 HA VAL A 71 10.847 -0.073 7.603 1.00 0.00 H new ATOM 0 HB VAL A 71 10.226 -1.437 9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.890 -0.295 11.391 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.574 0.279 11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.284 1.273 10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.812 -1.097 9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.161 0.421 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.715 -1.130 7.790 1.00 0.00 H new ATOM 1127 N LEU A 72 9.919 2.192 7.494 1.00 0.00 N ATOM 1128 CA LEU A 72 9.533 3.568 7.246 1.00 0.00 C ATOM 1129 C LEU A 72 8.037 3.759 7.439 1.00 0.00 C ATOM 1130 O LEU A 72 7.247 2.842 7.211 1.00 0.00 O ATOM 1131 CB LEU A 72 9.901 3.937 5.809 1.00 0.00 C ATOM 1132 CG LEU A 72 11.336 4.410 5.586 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.476 5.867 5.971 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.326 3.548 6.360 1.00 0.00 C ATOM 0 H LEU A 72 9.635 1.550 6.754 1.00 0.00 H new ATOM 0 HA LEU A 72 10.059 4.209 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.723 3.068 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.224 4.722 5.472 1.00 0.00 H new ATOM 0 HG LEU A 72 11.566 4.308 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.504 6.190 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.804 6.471 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.221 5.991 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.339 3.908 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.103 3.605 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.245 2.513 6.027 1.00 0.00 H new ATOM 1146 N SER A 73 7.655 4.961 7.851 1.00 0.00 N ATOM 1147 CA SER A 73 6.253 5.283 8.054 1.00 0.00 C ATOM 1148 C SER A 73 5.905 6.576 7.345 1.00 0.00 C ATOM 1149 O SER A 73 6.390 7.649 7.706 1.00 0.00 O ATOM 1150 CB SER A 73 5.931 5.407 9.537 1.00 0.00 C ATOM 1151 OG SER A 73 4.545 5.233 9.776 1.00 0.00 O ATOM 0 H SER A 73 8.298 5.727 8.050 1.00 0.00 H new ATOM 0 HA SER A 73 5.657 4.471 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.496 4.663 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.245 6.386 9.900 1.00 0.00 H new ATOM 0 HG SER A 73 4.366 5.316 10.736 1.00 0.00 H new ATOM 1157 N VAL A 74 5.062 6.468 6.333 1.00 0.00 N ATOM 1158 CA VAL A 74 4.651 7.642 5.562 1.00 0.00 C ATOM 1159 C VAL A 74 3.157 7.624 5.283 1.00 0.00 C ATOM 1160 O VAL A 74 2.598 6.590 4.920 1.00 0.00 O ATOM 1161 CB VAL A 74 5.401 7.741 4.212 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.899 7.868 4.427 1.00 0.00 C ATOM 1163 CG2 VAL A 74 5.080 6.545 3.336 1.00 0.00 C ATOM 0 H VAL A 74 4.648 5.589 6.023 1.00 0.00 H new ATOM 0 HA VAL A 74 4.902 8.509 6.173 1.00 0.00 H new ATOM 0 HB VAL A 74 5.061 8.642 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.401 7.936 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.108 8.766 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.265 6.994 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.616 6.632 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.385 5.630 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.008 6.513 3.143 1.00 0.00 H new ATOM 1173 N MET A 75 2.506 8.767 5.457 1.00 0.00 N ATOM 1174 CA MET A 75 1.082 8.852 5.186 1.00 0.00 C ATOM 1175 C MET A 75 0.848 9.435 3.813 1.00 0.00 C ATOM 1176 O MET A 75 1.375 10.494 3.474 1.00 0.00 O ATOM 1177 CB MET A 75 0.340 9.694 6.214 1.00 0.00 C ATOM 1178 CG MET A 75 0.186 9.020 7.559 1.00 0.00 C ATOM 1179 SD MET A 75 -1.148 9.732 8.538 1.00 0.00 S ATOM 1180 CE MET A 75 -2.547 9.330 7.500 1.00 0.00 C ATOM 0 H MET A 75 2.935 9.634 5.780 1.00 0.00 H new ATOM 0 HA MET A 75 0.692 7.836 5.241 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.871 10.636 6.349 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.649 9.938 5.825 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.004 7.957 7.410 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.122 9.101 8.112 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.385 9.980 7.752 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.277 9.474 6.454 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.833 8.290 7.661 1.00 0.00 H new ATOM 1190 N PHE A 76 0.055 8.739 3.028 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.249 9.195 1.680 1.00 0.00 C ATOM 1192 C PHE A 76 -1.705 8.941 1.315 1.00 0.00 C ATOM 1193 O PHE A 76 -2.405 8.188 1.985 1.00 0.00 O ATOM 1194 CB PHE A 76 0.657 8.489 0.679 1.00 0.00 C ATOM 1195 CG PHE A 76 0.258 7.067 0.426 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.577 6.066 1.326 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.450 6.734 -0.713 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.201 4.764 1.090 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.826 5.432 -0.954 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.499 4.445 -0.048 1.00 0.00 C ATOM 0 H PHE A 76 -0.391 7.861 3.293 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.075 10.270 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.644 9.037 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.683 8.512 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.127 6.309 2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.712 7.505 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.456 3.992 1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.376 5.184 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.793 3.422 -0.233 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.146 9.576 0.239 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.513 9.419 -0.242 1.00 0.00 C ATOM 1212 C ARG A 77 -3.578 8.353 -1.330 1.00 0.00 C ATOM 1213 O ARG A 77 -3.115 8.563 -2.451 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.041 10.757 -0.762 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.410 11.724 0.351 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.060 13.162 -0.002 1.00 0.00 C ATOM 1217 NE ARG A 77 -4.906 13.698 -1.066 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.123 14.998 -1.245 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -4.562 15.885 -0.432 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -5.899 15.415 -2.235 1.00 0.00 N ATOM 0 H ARG A 77 -1.574 10.208 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.143 9.095 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.285 11.216 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.917 10.578 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.478 11.651 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.890 11.439 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.160 13.786 0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.016 13.213 -0.311 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.354 13.041 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.963 15.570 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.730 16.882 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.332 14.738 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.063 16.413 -2.369 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.151 7.202 -0.985 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.272 6.088 -1.919 1.00 0.00 C ATOM 1236 C PHE A 78 -5.575 6.154 -2.702 1.00 0.00 C ATOM 1237 O PHE A 78 -6.640 5.866 -2.155 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.230 4.750 -1.162 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.991 3.553 -2.052 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.984 3.083 -2.900 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.768 2.904 -2.045 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.756 1.990 -3.719 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.536 1.815 -2.861 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.529 1.358 -3.697 1.00 0.00 C ATOM 0 H PHE A 78 -4.540 7.017 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.434 6.159 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.443 4.794 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.172 4.614 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.945 3.575 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.983 3.255 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.537 1.633 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.575 1.322 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.348 0.506 -4.335 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.505 6.527 -3.977 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.705 6.553 -4.793 1.00 0.00 C ATOM 1256 C ARG A 79 -7.189 5.124 -4.926 1.00 0.00 C ATOM 1257 O ARG A 79 -6.641 4.342 -5.703 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.440 7.161 -6.171 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.675 7.205 -7.060 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.883 5.888 -7.783 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.687 6.047 -8.992 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.485 5.351 -10.107 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.522 4.439 -10.162 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.248 5.565 -11.170 1.00 0.00 N ATOM 0 H ARG A 79 -4.649 6.809 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.461 7.179 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.056 8.173 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.662 6.584 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.553 7.432 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.573 8.010 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.915 5.462 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.372 5.180 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.445 6.729 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.933 4.269 -9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.371 3.908 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.990 6.264 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.093 5.031 -12.025 1.00 0.00 H new ATOM 1278 N SER A 80 -8.196 4.782 -4.147 1.00 0.00 N ATOM 1279 CA SER A 80 -8.717 3.438 -4.141 1.00 0.00 C ATOM 1280 C SER A 80 -9.711 3.180 -5.263 1.00 0.00 C ATOM 1281 O SER A 80 -9.922 4.022 -6.133 1.00 0.00 O ATOM 1282 CB SER A 80 -9.348 3.163 -2.788 1.00 0.00 C ATOM 1283 OG SER A 80 -8.358 3.142 -1.779 1.00 0.00 O ATOM 0 H SER A 80 -8.668 5.422 -3.509 1.00 0.00 H new ATOM 0 HA SER A 80 -7.886 2.755 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.090 3.929 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.873 2.208 -2.812 1.00 0.00 H new ATOM 0 HG SER A 80 -7.835 3.970 -1.817 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.293 1.988 -5.234 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.260 1.570 -6.230 1.00 0.00 C ATOM 1291 C LYS A 81 -12.451 2.523 -6.261 1.00 0.00 C ATOM 1292 O LYS A 81 -13.136 2.646 -7.275 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.718 0.143 -5.934 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.363 -0.514 -7.124 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.612 -1.759 -7.533 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.315 -2.465 -8.668 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.633 -3.016 -8.251 1.00 0.00 N ATOM 0 H LYS A 81 -10.105 1.287 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.788 1.594 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.862 -0.451 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.424 0.156 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.395 -0.770 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.393 0.187 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.599 -1.494 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.524 -2.432 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.458 -1.769 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.685 -3.274 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.965 -3.698 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.535 -3.494 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.322 -2.242 -8.166 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.684 3.201 -5.139 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.783 4.154 -5.034 1.00 0.00 C ATOM 1313 C ASN A 82 -13.388 5.489 -5.653 1.00 0.00 C ATOM 1314 O ASN A 82 -14.169 6.441 -5.659 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.182 4.348 -3.568 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.883 3.134 -2.985 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.557 1.953 -3.501 1.00 0.00 O flip ATOM 1318 ND2 ASN A 82 -15.708 3.258 -2.081 1.00 0.00 N flip ATOM 0 H ASN A 82 -12.126 3.107 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.639 3.756 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.291 4.565 -2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.838 5.215 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.928 4.184 -1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.172 2.435 -1.698 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.162 5.542 -6.171 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.633 6.745 -6.810 1.00 0.00 C ATOM 1327 C GLN A 83 -11.560 7.895 -5.814 1.00 0.00 C ATOM 1328 O GLN A 83 -11.803 9.051 -6.161 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.494 7.135 -8.016 1.00 0.00 C ATOM 1330 CG GLN A 83 -13.080 5.943 -8.758 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.012 6.095 -10.264 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -11.963 5.549 -10.866 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -13.899 6.686 -10.881 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.511 4.757 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.623 6.530 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.307 7.778 -7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.890 7.722 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.545 5.040 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.119 5.810 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.688 7.091 -10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.845 6.771 -11.896 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.217 7.565 -4.574 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.109 8.563 -3.518 1.00 0.00 C ATOM 1344 C GLU A 84 -9.741 8.494 -2.847 1.00 0.00 C ATOM 1345 O GLU A 84 -9.168 7.416 -2.692 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.206 8.351 -2.479 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.609 8.373 -3.060 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.684 8.294 -1.993 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.062 9.354 -1.451 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.148 7.173 -1.699 1.00 0.00 O ATOM 0 H GLU A 84 -11.009 6.612 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.227 9.549 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.043 7.395 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.126 9.125 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.744 9.286 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.725 7.538 -3.750 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.222 9.653 -2.454 1.00 0.00 N ATOM 1358 CA TRP A 85 -7.924 9.725 -1.800 1.00 0.00 C ATOM 1359 C TRP A 85 -7.985 9.113 -0.404 1.00 0.00 C ATOM 1360 O TRP A 85 -8.273 9.798 0.578 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.451 11.179 -1.732 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.041 11.734 -3.060 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.482 12.880 -3.650 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.103 11.156 -3.958 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.873 13.043 -4.874 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.018 11.993 -5.083 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.330 10.007 -3.910 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.180 11.708 -6.159 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.496 9.720 -4.973 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.427 10.567 -6.086 1.00 0.00 C ATOM 0 H TRP A 85 -9.682 10.555 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.207 9.151 -2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.251 11.795 -1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.610 11.248 -1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.203 13.560 -3.221 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.032 13.817 -5.519 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.379 9.347 -3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.127 12.362 -7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.887 8.828 -4.945 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.767 10.315 -6.903 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.709 7.814 -0.332 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.735 7.083 0.930 1.00 0.00 C ATOM 1383 C LEU A 86 -6.443 7.268 1.716 1.00 0.00 C ATOM 1384 O LEU A 86 -5.435 6.635 1.415 1.00 0.00 O ATOM 1385 CB LEU A 86 -7.954 5.588 0.671 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.349 5.180 0.173 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.671 3.769 0.632 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.412 6.152 0.661 1.00 0.00 C ATOM 0 H LEU A 86 -7.463 7.243 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.559 7.485 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.219 5.257 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.749 5.047 1.595 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.345 5.208 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.662 3.487 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.930 3.078 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.653 3.728 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.389 5.838 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.421 6.164 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.189 7.152 0.289 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.477 8.121 2.738 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.293 8.352 3.553 1.00 0.00 C ATOM 1402 C TRP A 87 -4.855 7.061 4.217 1.00 0.00 C ATOM 1403 O TRP A 87 -5.643 6.383 4.876 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.543 9.422 4.607 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.200 10.802 4.139 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.075 11.762 3.718 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -3.888 11.379 4.033 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.393 12.897 3.356 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.052 12.689 3.540 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.589 10.922 4.308 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -2.974 13.540 3.311 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.524 11.772 4.079 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.721 13.066 3.585 1.00 0.00 C ATOM 0 H TRP A 87 -7.300 8.655 3.016 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.499 8.706 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.592 9.395 4.901 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -4.957 9.191 5.496 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.148 11.645 3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.817 13.756 3.006 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.426 9.926 4.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.122 14.540 2.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.520 11.431 4.285 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.866 13.704 3.417 1.00 0.00 H new ATOM 1424 N MET A 88 -3.592 6.736 4.035 1.00 0.00 N ATOM 1425 CA MET A 88 -3.020 5.519 4.586 1.00 0.00 C ATOM 1426 C MET A 88 -1.646 5.768 5.161 1.00 0.00 C ATOM 1427 O MET A 88 -1.001 6.767 4.860 1.00 0.00 O ATOM 1428 CB MET A 88 -2.898 4.457 3.497 1.00 0.00 C ATOM 1429 CG MET A 88 -4.193 4.174 2.781 1.00 0.00 C ATOM 1430 SD MET A 88 -5.068 2.750 3.431 1.00 0.00 S ATOM 1431 CE MET A 88 -6.448 2.724 2.299 1.00 0.00 C ATOM 0 H MET A 88 -2.933 7.304 3.503 1.00 0.00 H new ATOM 0 HA MET A 88 -3.685 5.177 5.380 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.153 4.779 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.530 3.533 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.837 5.050 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.987 4.013 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.737 1.692 2.101 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.290 3.258 2.739 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.161 3.206 1.364 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.216 4.840 5.991 1.00 0.00 N ATOM 1442 CA ARG A 89 0.095 4.896 6.598 1.00 0.00 C ATOM 1443 C ARG A 89 0.880 3.668 6.165 1.00 0.00 C ATOM 1444 O ARG A 89 0.449 2.540 6.404 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.021 4.922 8.116 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.985 5.968 8.638 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.431 6.638 9.877 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.403 5.732 11.023 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.001 6.091 12.239 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.407 7.333 12.469 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.001 5.206 13.227 1.00 0.00 N ATOM 0 H ARG A 89 -1.767 4.026 6.263 1.00 0.00 H new ATOM 0 HA ARG A 89 0.606 5.804 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.342 3.940 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.965 5.105 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.170 6.716 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.944 5.503 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.578 6.998 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.038 7.511 10.119 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.711 4.770 10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.410 8.017 11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.716 7.604 13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.312 4.250 13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.309 5.481 14.159 1.00 0.00 H new ATOM 1465 N THR A 90 2.024 3.872 5.539 1.00 0.00 N ATOM 1466 CA THR A 90 2.812 2.746 5.056 1.00 0.00 C ATOM 1467 C THR A 90 3.897 2.317 6.022 1.00 0.00 C ATOM 1468 O THR A 90 4.597 3.151 6.602 1.00 0.00 O ATOM 1469 CB THR A 90 3.497 3.056 3.721 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.742 3.718 3.954 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.613 3.919 2.856 1.00 0.00 C ATOM 0 H THR A 90 2.426 4.791 5.353 1.00 0.00 H new ATOM 0 HA THR A 90 2.087 1.940 4.942 1.00 0.00 H new ATOM 0 HB THR A 90 3.680 2.116 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.480 3.130 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.118 4.127 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.677 3.397 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.404 4.857 3.371 1.00 0.00 H new ATOM 1479 N SER A 91 4.026 1.000 6.161 1.00 0.00 N ATOM 1480 CA SER A 91 5.047 0.386 6.994 1.00 0.00 C ATOM 1481 C SER A 91 6.009 -0.354 6.071 1.00 0.00 C ATOM 1482 O SER A 91 6.040 -1.585 6.030 1.00 0.00 O ATOM 1483 CB SER A 91 4.414 -0.576 8.001 1.00 0.00 C ATOM 1484 OG SER A 91 4.211 0.056 9.253 1.00 0.00 O ATOM 0 H SER A 91 3.419 0.327 5.694 1.00 0.00 H new ATOM 0 HA SER A 91 5.580 1.146 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.461 -0.937 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.057 -1.447 8.130 1.00 0.00 H new ATOM 0 HG SER A 91 3.804 -0.580 9.878 1.00 0.00 H new ATOM 1490 N SER A 92 6.783 0.424 5.321 1.00 0.00 N ATOM 1491 CA SER A 92 7.716 -0.114 4.336 1.00 0.00 C ATOM 1492 C SER A 92 9.035 -0.561 4.953 1.00 0.00 C ATOM 1493 O SER A 92 9.698 0.194 5.650 1.00 0.00 O ATOM 1494 CB SER A 92 7.982 0.939 3.266 1.00 0.00 C ATOM 1495 OG SER A 92 6.846 1.764 3.076 1.00 0.00 O ATOM 0 H SER A 92 6.782 1.442 5.378 1.00 0.00 H new ATOM 0 HA SER A 92 7.253 -0.999 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.836 1.551 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.244 0.451 2.327 1.00 0.00 H new ATOM 0 HG SER A 92 7.135 2.665 2.820 1.00 0.00 H new ATOM 1501 N GLN A 93 9.411 -1.796 4.672 1.00 0.00 N ATOM 1502 CA GLN A 93 10.656 -2.358 5.169 1.00 0.00 C ATOM 1503 C GLN A 93 10.996 -3.614 4.387 1.00 0.00 C ATOM 1504 O GLN A 93 10.110 -4.394 4.056 1.00 0.00 O ATOM 1505 CB GLN A 93 10.555 -2.666 6.657 1.00 0.00 C ATOM 1506 CG GLN A 93 9.493 -3.693 7.001 1.00 0.00 C ATOM 1507 CD GLN A 93 9.495 -4.037 8.472 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.654 -3.896 9.095 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.471 -4.416 9.041 1.00 0.00 N flip ATOM 0 H GLN A 93 8.865 -2.436 4.095 1.00 0.00 H new ATOM 0 HA GLN A 93 11.452 -1.626 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.522 -3.025 7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.342 -1.743 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.512 -3.309 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.661 -4.598 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.601 -4.509 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.493 -4.637 10.037 1.00 0.00 H new ATOM 1518 N THR A 94 12.281 -3.811 4.115 1.00 0.00 N ATOM 1519 CA THR A 94 12.737 -4.960 3.338 1.00 0.00 C ATOM 1520 C THR A 94 11.949 -6.217 3.673 1.00 0.00 C ATOM 1521 O THR A 94 11.943 -6.682 4.813 1.00 0.00 O ATOM 1522 CB THR A 94 14.234 -5.207 3.559 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.452 -5.830 4.830 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.985 -3.889 3.499 1.00 0.00 C ATOM 0 H THR A 94 13.028 -3.188 4.422 1.00 0.00 H new ATOM 0 HA THR A 94 12.566 -4.725 2.287 1.00 0.00 H new ATOM 0 HB THR A 94 14.601 -5.869 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.589 -6.018 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.048 -4.069 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.835 -3.429 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.611 -3.221 4.275 1.00 0.00 H new ATOM 1532 N ALA A 95 11.282 -6.752 2.656 1.00 0.00 N ATOM 1533 CA ALA A 95 10.457 -7.944 2.804 1.00 0.00 C ATOM 1534 C ALA A 95 11.220 -9.109 3.425 1.00 0.00 C ATOM 1535 O ALA A 95 12.430 -9.038 3.640 1.00 0.00 O ATOM 1536 CB ALA A 95 9.890 -8.345 1.454 1.00 0.00 C ATOM 0 H ALA A 95 11.298 -6.373 1.709 1.00 0.00 H new ATOM 0 HA ALA A 95 9.645 -7.698 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.274 -9.237 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.281 -7.532 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.707 -8.555 0.764 1.00 0.00 H new ATOM 1542 N GLN A 96 10.492 -10.185 3.703 1.00 0.00 N ATOM 1543 CA GLN A 96 11.070 -11.376 4.306 1.00 0.00 C ATOM 1544 C GLN A 96 12.002 -12.093 3.345 1.00 0.00 C ATOM 1545 O GLN A 96 13.195 -11.793 3.286 1.00 0.00 O ATOM 1546 CB GLN A 96 9.957 -12.308 4.762 1.00 0.00 C ATOM 1547 CG GLN A 96 8.885 -11.599 5.566 1.00 0.00 C ATOM 1548 CD GLN A 96 9.338 -11.262 6.972 1.00 0.00 C ATOM 1549 OE1 GLN A 96 9.897 -10.193 7.217 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.095 -12.173 7.907 1.00 0.00 N ATOM 0 H GLN A 96 9.491 -10.254 3.517 1.00 0.00 H new ATOM 0 HA GLN A 96 11.663 -11.070 5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.500 -12.774 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.385 -13.109 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.597 -10.682 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.997 -12.229 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.629 -13.046 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.374 -12.000 8.873 1.00 0.00 H new ATOM 1619 N ASP A 101 15.110 -8.563 -0.981 1.00 0.00 N ATOM 1620 CA ASP A 101 15.594 -7.437 -1.768 1.00 0.00 C ATOM 1621 C ASP A 101 14.451 -6.475 -2.071 1.00 0.00 C ATOM 1622 O ASP A 101 14.668 -5.374 -2.578 1.00 0.00 O ATOM 1623 CB ASP A 101 16.222 -7.929 -3.074 1.00 0.00 C ATOM 1624 CG ASP A 101 17.443 -8.795 -2.841 1.00 0.00 C ATOM 1625 OD1 ASP A 101 17.272 -10.002 -2.570 1.00 0.00 O ATOM 1626 OD2 ASP A 101 18.571 -8.267 -2.930 1.00 0.00 O ATOM 0 HA ASP A 101 16.354 -6.913 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.481 -8.495 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.501 -7.071 -3.685 1.00 0.00 H new ATOM 1631 N GLU A 102 13.232 -6.903 -1.752 1.00 0.00 N ATOM 1632 CA GLU A 102 12.051 -6.095 -1.983 1.00 0.00 C ATOM 1633 C GLU A 102 11.750 -5.211 -0.788 1.00 0.00 C ATOM 1634 O GLU A 102 12.635 -4.894 0.006 1.00 0.00 O ATOM 1635 CB GLU A 102 10.857 -6.984 -2.262 1.00 0.00 C ATOM 1636 CG GLU A 102 11.027 -7.835 -3.494 1.00 0.00 C ATOM 1637 CD GLU A 102 11.960 -7.226 -4.525 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.503 -6.365 -5.305 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.148 -7.612 -4.552 1.00 0.00 O ATOM 0 H GLU A 102 13.042 -7.812 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 102 12.246 -5.459 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.685 -7.631 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.968 -6.363 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.410 -8.812 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.051 -7.999 -3.950 1.00 0.00 H new ATOM 1646 N ILE A 103 10.487 -4.828 -0.670 1.00 0.00 N ATOM 1647 CA ILE A 103 10.046 -3.966 0.418 1.00 0.00 C ATOM 1648 C ILE A 103 8.603 -4.253 0.821 1.00 0.00 C ATOM 1649 O ILE A 103 7.663 -3.936 0.091 1.00 0.00 O ATOM 1650 CB ILE A 103 10.174 -2.473 0.033 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.630 -2.132 -0.296 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.634 -1.575 1.144 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.835 -0.748 -0.875 1.00 0.00 C ATOM 0 H ILE A 103 9.747 -5.101 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 103 10.696 -4.181 1.266 1.00 0.00 H new ATOM 0 HB ILE A 103 9.572 -2.293 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.226 -2.224 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.012 -2.868 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.735 -0.531 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.582 -1.803 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.199 -1.750 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.895 -0.592 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.270 -0.654 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.488 -0.000 -0.162 1.00 0.00 H new ATOM 1665 N GLU A 104 8.448 -4.866 1.988 1.00 0.00 N ATOM 1666 CA GLU A 104 7.140 -5.175 2.537 1.00 0.00 C ATOM 1667 C GLU A 104 6.515 -3.909 3.105 1.00 0.00 C ATOM 1668 O GLU A 104 6.947 -3.403 4.142 1.00 0.00 O ATOM 1669 CB GLU A 104 7.280 -6.219 3.638 1.00 0.00 C ATOM 1670 CG GLU A 104 6.013 -7.014 3.891 1.00 0.00 C ATOM 1671 CD GLU A 104 6.221 -8.142 4.882 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.670 -9.228 4.459 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.935 -7.940 6.080 1.00 0.00 O ATOM 0 H GLU A 104 9.226 -5.161 2.577 1.00 0.00 H new ATOM 0 HA GLU A 104 6.500 -5.570 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.083 -6.907 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.577 -5.722 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.237 -6.345 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.652 -7.425 2.948 1.00 0.00 H new ATOM 1680 N THR A 105 5.501 -3.402 2.426 1.00 0.00 N ATOM 1681 CA THR A 105 4.835 -2.182 2.848 1.00 0.00 C ATOM 1682 C THR A 105 3.410 -2.447 3.314 1.00 0.00 C ATOM 1683 O THR A 105 2.552 -2.848 2.527 1.00 0.00 O ATOM 1684 CB THR A 105 4.833 -1.154 1.702 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.159 -0.653 1.519 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.886 0.003 1.980 1.00 0.00 C ATOM 0 H THR A 105 5.119 -3.818 1.577 1.00 0.00 H new ATOM 0 HA THR A 105 5.391 -1.780 3.695 1.00 0.00 H new ATOM 0 HB THR A 105 4.487 -1.656 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.250 -0.293 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.915 0.705 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.872 -0.378 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.192 0.512 2.894 1.00 0.00 H new ATOM 1694 N ILE A 106 3.167 -2.221 4.603 1.00 0.00 N ATOM 1695 CA ILE A 106 1.841 -2.425 5.174 1.00 0.00 C ATOM 1696 C ILE A 106 1.035 -1.136 5.129 1.00 0.00 C ATOM 1697 O ILE A 106 1.238 -0.236 5.944 1.00 0.00 O ATOM 1698 CB ILE A 106 1.897 -2.926 6.633 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.545 -4.309 6.703 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.492 -2.965 7.232 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.045 -4.292 6.506 1.00 0.00 C ATOM 0 H ILE A 106 3.869 -1.898 5.269 1.00 0.00 H new ATOM 0 HA ILE A 106 1.360 -3.192 4.568 1.00 0.00 H new ATOM 0 HB ILE A 106 2.506 -2.233 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.320 -4.756 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.096 -4.949 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.545 -3.320 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.061 -1.964 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.134 -3.639 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.432 -5.309 6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.279 -3.875 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.507 -3.679 7.280 1.00 0.00 H new ATOM 1713 N ILE A 107 0.126 -1.055 4.171 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.711 0.120 4.020 1.00 0.00 C ATOM 1715 C ILE A 107 -1.913 0.058 4.961 1.00 0.00 C ATOM 1716 O ILE A 107 -2.834 -0.731 4.753 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.186 0.262 2.572 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.029 0.401 1.657 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.114 1.458 2.438 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.309 0.308 0.193 1.00 0.00 C ATOM 0 H ILE A 107 -0.050 -1.791 3.487 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.112 0.993 4.280 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.746 -0.626 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.512 1.359 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.752 -0.376 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.445 1.548 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.980 1.321 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.584 2.365 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.601 0.415 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.765 -0.660 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.008 1.102 -0.070 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.903 0.902 5.987 1.00 0.00 N ATOM 1733 CA CYS A 108 -2.975 0.923 6.980 1.00 0.00 C ATOM 1734 C CYS A 108 -3.888 2.137 6.825 1.00 0.00 C ATOM 1735 O CYS A 108 -3.421 3.274 6.771 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.371 0.922 8.385 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.568 1.197 9.712 1.00 0.00 S ATOM 0 H CYS A 108 -1.163 1.583 6.154 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.582 0.031 6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.874 -0.033 8.553 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.604 1.694 8.438 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.672 0.568 9.437 1.00 0.00 H new ATOM 1743 N THR A 109 -5.196 1.889 6.756 1.00 0.00 N ATOM 1744 CA THR A 109 -6.172 2.968 6.644 1.00 0.00 C ATOM 1745 C THR A 109 -6.078 3.868 7.872 1.00 0.00 C ATOM 1746 O THR A 109 -6.055 3.380 9.002 1.00 0.00 O ATOM 1747 CB THR A 109 -7.607 2.419 6.530 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.908 1.586 7.656 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.769 1.629 5.248 1.00 0.00 C ATOM 0 H THR A 109 -5.601 0.953 6.776 1.00 0.00 H new ATOM 0 HA THR A 109 -5.947 3.534 5.740 1.00 0.00 H new ATOM 0 HB THR A 109 -8.299 3.261 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 109 -7.315 1.817 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.788 1.248 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.568 2.276 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.068 0.794 5.244 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.028 5.176 7.655 1.00 0.00 N ATOM 1758 CA ASN A 110 -5.910 6.121 8.766 1.00 0.00 C ATOM 1759 C ASN A 110 -7.245 6.327 9.478 1.00 0.00 C ATOM 1760 O ASN A 110 -7.551 5.631 10.446 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.362 7.464 8.282 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.114 8.427 9.426 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -3.892 8.431 9.944 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -6.011 9.163 9.838 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.067 5.607 6.731 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.210 5.690 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.431 7.300 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.066 7.910 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.937 9.127 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.829 9.808 10.607 1.00 0.00 H new