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 7 SER OG : rot -123:sc= 0.976! USER MOD Set 1.2: A 54 ASN : amide:sc= -1.61! C(o=-0.63!,f=-3.2!) USER MOD Set 2.1: A 48 GLN : amide:sc= -6.36! C(o=-9!,f=-7!) USER MOD Set 2.2: A 49 ASN : amide:sc= -2.67! C(o=-9!,f=-22!) USER MOD Single : A 8 TYR OH : rot -17:sc= 0.249 USER MOD Single : A 13 THR OG1 : rot 45:sc= -2.03 USER MOD Single : A 14 MET CE :methyl -169:sc= -0.0166 (180deg=-0.315) USER MOD Single : A 18 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.4!) USER MOD Single : A 19 SER OG : rot 5:sc= 0.147 USER MOD Single : A 21 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.025) USER MOD Single : A 22 LYS NZ :NH3+ -99:sc= -0.263 (180deg=-1.97!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 48:sc= 0.611 USER MOD Single : A 27 SER OG : rot -175:sc= -0.651 USER MOD Single : A 30 CYS SG : rot -16:sc= 0.0949 USER MOD Single : A 34 SER OG : rot 170:sc= -0.848 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -149:sc= -0.246! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00558 USER MOD Single : A 53 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-1.2) USER MOD Single : A 56 SER OG : rot 110:sc= -4.04! USER MOD Single : A 58 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.2!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0732) USER MOD Single : A 70 ASN : amide:sc= -5.71! C(o=-5.7!,f=-12!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -3.65! K(o=-3.7!,f=-0.6) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 82 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 83 SER OG : rot -160:sc= 0 USER MOD Single : A 86 MET CE :methyl -163:sc= -0.513 (180deg=-1.82!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 1.930 3.664 -12.600 1.00 0.00 N ATOM 89 CA SER A 7 1.580 2.351 -13.116 1.00 0.00 C ATOM 90 C SER A 7 2.840 1.618 -13.578 1.00 0.00 C ATOM 91 O SER A 7 3.953 2.006 -13.227 1.00 0.00 O ATOM 92 CB SER A 7 0.577 2.461 -14.266 1.00 0.00 C ATOM 93 OG SER A 7 0.270 1.188 -14.830 1.00 0.00 O ATOM 0 HA SER A 7 1.110 1.782 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.339 2.928 -13.905 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.983 3.112 -15.040 1.00 0.00 H new ATOM 0 HG SER A 7 0.478 1.196 -15.788 1.00 0.00 H new ATOM 99 N TYR A 8 2.624 0.570 -14.360 1.00 0.00 N ATOM 100 CA TYR A 8 3.728 -0.221 -14.874 1.00 0.00 C ATOM 101 C TYR A 8 4.451 0.516 -16.004 1.00 0.00 C ATOM 102 O TYR A 8 5.651 0.330 -16.203 1.00 0.00 O ATOM 103 CB TYR A 8 3.105 -1.502 -15.434 1.00 0.00 C ATOM 104 CG TYR A 8 1.913 -2.018 -14.626 1.00 0.00 C ATOM 105 CD1 TYR A 8 2.069 -2.336 -13.292 1.00 0.00 C ATOM 106 CD2 TYR A 8 0.682 -2.166 -15.232 1.00 0.00 C ATOM 107 CE1 TYR A 8 0.947 -2.822 -12.532 1.00 0.00 C ATOM 108 CE2 TYR A 8 -0.441 -2.652 -14.471 1.00 0.00 C ATOM 109 CZ TYR A 8 -0.252 -2.956 -13.159 1.00 0.00 C ATOM 110 OH TYR A 8 -1.312 -3.416 -12.441 1.00 0.00 O ATOM 0 H TYR A 8 1.700 0.251 -14.650 1.00 0.00 H new ATOM 0 HA TYR A 8 4.456 -0.419 -14.088 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.784 -1.320 -16.460 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.869 -2.279 -15.472 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.033 -2.220 -12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.560 -1.918 -16.276 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.055 -3.074 -11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.410 -2.772 -14.932 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.990 -3.844 -11.620 1.00 0.00 H new ATOM 120 N ILE A 9 3.691 1.336 -16.714 1.00 0.00 N ATOM 121 CA ILE A 9 4.244 2.102 -17.818 1.00 0.00 C ATOM 122 C ILE A 9 5.628 2.626 -17.427 1.00 0.00 C ATOM 123 O ILE A 9 6.490 2.812 -18.284 1.00 0.00 O ATOM 124 CB ILE A 9 3.270 3.200 -18.249 1.00 0.00 C ATOM 125 CG1 ILE A 9 3.841 4.012 -19.414 1.00 0.00 C ATOM 126 CG2 ILE A 9 2.886 4.089 -17.065 1.00 0.00 C ATOM 127 CD1 ILE A 9 2.826 5.044 -19.912 1.00 0.00 C ATOM 0 H ILE A 9 2.696 1.487 -16.546 1.00 0.00 H new ATOM 0 HA ILE A 9 4.379 1.466 -18.693 1.00 0.00 H new ATOM 0 HB ILE A 9 2.355 2.725 -18.604 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.753 4.517 -19.097 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.114 3.342 -20.229 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.193 4.861 -17.399 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.410 3.483 -16.294 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.781 4.558 -16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.256 5.608 -20.740 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.924 4.534 -20.251 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.573 5.727 -19.101 1.00 0.00 H new ATOM 139 N ALA A 10 5.796 2.849 -16.132 1.00 0.00 N ATOM 140 CA ALA A 10 7.060 3.348 -15.617 1.00 0.00 C ATOM 141 C ALA A 10 8.090 2.217 -15.622 1.00 0.00 C ATOM 142 O ALA A 10 9.190 2.376 -16.150 1.00 0.00 O ATOM 143 CB ALA A 10 6.846 3.935 -14.220 1.00 0.00 C ATOM 0 H ALA A 10 5.078 2.693 -15.424 1.00 0.00 H new ATOM 0 HA ALA A 10 7.444 4.147 -16.251 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.794 4.309 -13.833 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.128 4.753 -14.275 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.463 3.161 -13.555 1.00 0.00 H new ATOM 149 N LEU A 11 7.698 1.099 -15.028 1.00 0.00 N ATOM 150 CA LEU A 11 8.573 -0.058 -14.958 1.00 0.00 C ATOM 151 C LEU A 11 8.949 -0.495 -16.375 1.00 0.00 C ATOM 152 O LEU A 11 10.025 -1.051 -16.592 1.00 0.00 O ATOM 153 CB LEU A 11 7.929 -1.167 -14.123 1.00 0.00 C ATOM 154 CG LEU A 11 8.072 -1.033 -12.606 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.372 0.230 -12.099 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.569 -2.291 -11.895 1.00 0.00 C ATOM 0 H LEU A 11 6.785 0.970 -14.591 1.00 0.00 H new ATOM 0 HA LEU A 11 9.501 0.197 -14.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.867 -1.207 -14.366 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.362 -2.120 -14.426 1.00 0.00 H new ATOM 0 HG LEU A 11 9.131 -0.931 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.489 0.301 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.816 1.106 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.312 0.183 -12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.682 -2.170 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.517 -2.448 -12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.149 -3.152 -12.226 1.00 0.00 H new ATOM 168 N ILE A 12 8.042 -0.226 -17.303 1.00 0.00 N ATOM 169 CA ILE A 12 8.265 -0.585 -18.693 1.00 0.00 C ATOM 170 C ILE A 12 9.226 0.424 -19.327 1.00 0.00 C ATOM 171 O ILE A 12 10.269 0.044 -19.857 1.00 0.00 O ATOM 172 CB ILE A 12 6.933 -0.714 -19.434 1.00 0.00 C ATOM 173 CG1 ILE A 12 6.192 -1.984 -19.011 1.00 0.00 C ATOM 174 CG2 ILE A 12 7.138 -0.648 -20.948 1.00 0.00 C ATOM 175 CD1 ILE A 12 5.235 -1.701 -17.851 1.00 0.00 C ATOM 0 H ILE A 12 7.152 0.236 -17.119 1.00 0.00 H new ATOM 0 HA ILE A 12 8.738 -1.565 -18.762 1.00 0.00 H new ATOM 0 HB ILE A 12 6.305 0.133 -19.158 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.634 -2.383 -19.858 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.912 -2.748 -18.715 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.175 -0.742 -21.450 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.593 0.307 -21.212 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.792 -1.461 -21.262 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.721 -2.621 -17.570 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.799 -1.325 -16.997 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.502 -0.955 -18.158 1.00 0.00 H new ATOM 187 N THR A 13 8.839 1.689 -19.253 1.00 0.00 N ATOM 188 CA THR A 13 9.652 2.754 -19.813 1.00 0.00 C ATOM 189 C THR A 13 11.125 2.547 -19.452 1.00 0.00 C ATOM 190 O THR A 13 12.011 2.848 -20.249 1.00 0.00 O ATOM 191 CB THR A 13 9.088 4.088 -19.321 1.00 0.00 C ATOM 192 OG1 THR A 13 8.748 3.841 -17.960 1.00 0.00 O ATOM 193 CG2 THR A 13 7.752 4.438 -19.981 1.00 0.00 C ATOM 0 H THR A 13 7.973 2.000 -18.813 1.00 0.00 H new ATOM 0 HA THR A 13 9.613 2.750 -20.902 1.00 0.00 H new ATOM 0 HB THR A 13 9.809 4.881 -19.518 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.478 3.354 -17.524 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.396 5.394 -19.597 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.887 4.508 -21.060 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.021 3.661 -19.757 1.00 0.00 H new ATOM 201 N MET A 14 11.339 2.035 -18.249 1.00 0.00 N ATOM 202 CA MET A 14 12.689 1.785 -17.772 1.00 0.00 C ATOM 203 C MET A 14 13.237 0.475 -18.342 1.00 0.00 C ATOM 204 O MET A 14 14.397 0.407 -18.746 1.00 0.00 O ATOM 205 CB MET A 14 12.686 1.715 -16.244 1.00 0.00 C ATOM 206 CG MET A 14 14.113 1.683 -15.693 1.00 0.00 C ATOM 207 SD MET A 14 14.132 2.276 -14.010 1.00 0.00 S ATOM 208 CE MET A 14 13.737 0.765 -13.145 1.00 0.00 C ATOM 0 H MET A 14 10.601 1.786 -17.590 1.00 0.00 H new ATOM 0 HA MET A 14 13.330 2.601 -18.106 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.155 2.576 -15.838 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.147 0.825 -15.918 1.00 0.00 H new ATOM 0 HG2 MET A 14 14.504 0.666 -15.733 1.00 0.00 H new ATOM 0 HG3 MET A 14 14.764 2.300 -16.312 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.516 0.990 -12.102 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.868 0.297 -13.608 1.00 0.00 H new ATOM 0 HE3 MET A 14 14.586 0.083 -13.197 1.00 0.00 H new ATOM 218 N ALA A 15 12.377 -0.533 -18.356 1.00 0.00 N ATOM 219 CA ALA A 15 12.761 -1.837 -18.870 1.00 0.00 C ATOM 220 C ALA A 15 13.212 -1.694 -20.325 1.00 0.00 C ATOM 221 O ALA A 15 14.131 -2.384 -20.765 1.00 0.00 O ATOM 222 CB ALA A 15 11.592 -2.811 -18.715 1.00 0.00 C ATOM 0 H ALA A 15 11.416 -0.473 -18.020 1.00 0.00 H new ATOM 0 HA ALA A 15 13.600 -2.241 -18.303 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.880 -3.789 -19.100 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.329 -2.899 -17.661 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.733 -2.440 -19.273 1.00 0.00 H new ATOM 228 N ILE A 16 12.544 -0.795 -21.033 1.00 0.00 N ATOM 229 CA ILE A 16 12.864 -0.553 -22.429 1.00 0.00 C ATOM 230 C ILE A 16 14.105 0.337 -22.517 1.00 0.00 C ATOM 231 O ILE A 16 15.042 0.031 -23.253 1.00 0.00 O ATOM 232 CB ILE A 16 11.648 0.011 -23.168 1.00 0.00 C ATOM 233 CG1 ILE A 16 10.803 -1.112 -23.771 1.00 0.00 C ATOM 234 CG2 ILE A 16 12.074 1.037 -24.220 1.00 0.00 C ATOM 235 CD1 ILE A 16 10.090 -1.910 -22.678 1.00 0.00 C ATOM 0 H ILE A 16 11.782 -0.225 -20.665 1.00 0.00 H new ATOM 0 HA ILE A 16 13.107 -1.489 -22.932 1.00 0.00 H new ATOM 0 HB ILE A 16 11.020 0.532 -22.445 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.068 -0.691 -24.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.439 -1.777 -24.355 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.192 1.422 -24.731 1.00 0.00 H new ATOM 0 HG22 ILE A 16 12.600 1.859 -23.734 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.734 0.562 -24.945 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.496 -2.702 -23.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.829 -2.350 -22.008 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.436 -1.247 -22.111 1.00 0.00 H new ATOM 247 N LEU A 17 14.071 1.421 -21.756 1.00 0.00 N ATOM 248 CA LEU A 17 15.181 2.358 -21.738 1.00 0.00 C ATOM 249 C LEU A 17 16.466 1.612 -21.373 1.00 0.00 C ATOM 250 O LEU A 17 17.550 1.976 -21.827 1.00 0.00 O ATOM 251 CB LEU A 17 14.872 3.538 -20.815 1.00 0.00 C ATOM 252 CG LEU A 17 14.221 4.755 -21.477 1.00 0.00 C ATOM 253 CD1 LEU A 17 15.264 5.609 -22.201 1.00 0.00 C ATOM 254 CD2 LEU A 17 13.083 4.329 -22.408 1.00 0.00 C ATOM 0 H LEU A 17 13.292 1.671 -21.147 1.00 0.00 H new ATOM 0 HA LEU A 17 15.332 2.789 -22.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.216 3.188 -20.018 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.801 3.859 -20.345 1.00 0.00 H new ATOM 0 HG LEU A 17 13.783 5.376 -20.695 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.775 6.467 -22.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.009 5.957 -21.486 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.752 5.012 -22.971 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.637 5.212 -22.866 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.476 3.676 -23.187 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.325 3.795 -21.835 1.00 0.00 H new ATOM 266 N GLN A 18 16.303 0.583 -20.555 1.00 0.00 N ATOM 267 CA GLN A 18 17.437 -0.217 -20.123 1.00 0.00 C ATOM 268 C GLN A 18 18.014 -1.001 -21.304 1.00 0.00 C ATOM 269 O GLN A 18 19.146 -1.478 -21.243 1.00 0.00 O ATOM 270 CB GLN A 18 17.042 -1.157 -18.982 1.00 0.00 C ATOM 271 CG GLN A 18 16.579 -2.511 -19.523 1.00 0.00 C ATOM 272 CD GLN A 18 17.687 -3.559 -19.399 1.00 0.00 C ATOM 273 OE1 GLN A 18 18.812 -3.269 -19.025 1.00 0.00 O ATOM 274 NE2 GLN A 18 17.308 -4.789 -19.733 1.00 0.00 N ATOM 0 H GLN A 18 15.403 0.284 -20.180 1.00 0.00 H new ATOM 0 HA GLN A 18 18.208 0.455 -19.746 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.891 -1.300 -18.313 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.244 -0.705 -18.393 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.697 -2.843 -18.976 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.286 -2.408 -20.568 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.350 -4.962 -20.038 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.975 -5.559 -19.684 1.00 0.00 H new ATOM 283 N SER A 19 17.209 -1.109 -22.351 1.00 0.00 N ATOM 284 CA SER A 19 17.626 -1.826 -23.544 1.00 0.00 C ATOM 285 C SER A 19 17.434 -0.944 -24.779 1.00 0.00 C ATOM 286 O SER A 19 16.582 -1.224 -25.621 1.00 0.00 O ATOM 287 CB SER A 19 16.847 -3.134 -23.700 1.00 0.00 C ATOM 288 OG SER A 19 15.439 -2.928 -23.628 1.00 0.00 O ATOM 0 H SER A 19 16.271 -0.712 -22.398 1.00 0.00 H new ATOM 0 HA SER A 19 18.683 -2.073 -23.443 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.098 -3.594 -24.656 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.152 -3.833 -22.921 1.00 0.00 H new ATOM 0 HG SER A 19 15.251 -1.968 -23.568 1.00 0.00 H new ATOM 294 N PRO A 20 18.263 0.132 -24.850 1.00 0.00 N ATOM 295 CA PRO A 20 18.193 1.058 -25.968 1.00 0.00 C ATOM 296 C PRO A 20 18.820 0.449 -27.224 1.00 0.00 C ATOM 297 O PRO A 20 18.784 1.052 -28.296 1.00 0.00 O ATOM 298 CB PRO A 20 18.915 2.307 -25.491 1.00 0.00 C ATOM 299 CG PRO A 20 19.762 1.872 -24.305 1.00 0.00 C ATOM 300 CD PRO A 20 19.284 0.495 -23.872 1.00 0.00 C ATOM 0 HA PRO A 20 17.168 1.292 -26.256 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.537 2.725 -26.283 1.00 0.00 H new ATOM 0 HB3 PRO A 20 18.205 3.082 -25.201 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.816 1.841 -24.580 1.00 0.00 H new ATOM 0 HG3 PRO A 20 19.666 2.585 -23.486 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.102 -0.225 -23.868 1.00 0.00 H new ATOM 0 HD3 PRO A 20 18.875 0.518 -22.862 1.00 0.00 H new ATOM 308 N GLN A 21 19.380 -0.740 -27.051 1.00 0.00 N ATOM 309 CA GLN A 21 20.014 -1.437 -28.157 1.00 0.00 C ATOM 310 C GLN A 21 18.960 -1.903 -29.164 1.00 0.00 C ATOM 311 O GLN A 21 18.630 -1.179 -30.101 1.00 0.00 O ATOM 312 CB GLN A 21 20.851 -2.615 -27.654 1.00 0.00 C ATOM 313 CG GLN A 21 22.329 -2.233 -27.551 1.00 0.00 C ATOM 314 CD GLN A 21 22.606 -1.460 -26.260 1.00 0.00 C ATOM 315 OE1 GLN A 21 22.345 -1.921 -25.161 1.00 0.00 O ATOM 316 NE2 GLN A 21 23.148 -0.261 -26.453 1.00 0.00 N ATOM 0 H GLN A 21 19.408 -1.238 -26.161 1.00 0.00 H new ATOM 0 HA GLN A 21 20.688 -0.744 -28.661 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.486 -2.935 -26.678 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.737 -3.462 -28.331 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.944 -3.133 -27.580 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.612 -1.626 -28.411 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.341 0.065 -27.400 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.370 0.333 -25.654 1.00 0.00 H new ATOM 325 N LYS A 22 18.462 -3.110 -28.935 1.00 0.00 N ATOM 326 CA LYS A 22 17.453 -3.681 -29.811 1.00 0.00 C ATOM 327 C LYS A 22 17.192 -5.132 -29.403 1.00 0.00 C ATOM 328 O LYS A 22 17.459 -6.054 -30.172 1.00 0.00 O ATOM 329 CB LYS A 22 17.861 -3.518 -31.276 1.00 0.00 C ATOM 330 CG LYS A 22 16.790 -2.759 -32.063 1.00 0.00 C ATOM 331 CD LYS A 22 17.002 -2.915 -33.570 1.00 0.00 C ATOM 332 CE LYS A 22 15.932 -2.156 -34.356 1.00 0.00 C ATOM 333 NZ LYS A 22 16.552 -1.114 -35.203 1.00 0.00 N ATOM 0 H LYS A 22 18.738 -3.708 -28.156 1.00 0.00 H new ATOM 0 HA LYS A 22 16.510 -3.145 -29.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.809 -2.983 -31.336 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.020 -4.499 -31.724 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.802 -3.131 -31.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.818 -1.703 -31.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.990 -2.544 -33.842 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.974 -3.971 -33.837 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.368 -2.851 -34.978 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.223 -1.698 -33.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.478 -0.192 -34.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.554 -1.344 -35.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.060 -1.072 -36.118 1.00 0.00 H new ATOM 347 N LYS A 23 16.674 -5.289 -28.194 1.00 0.00 N ATOM 348 CA LYS A 23 16.374 -6.613 -27.674 1.00 0.00 C ATOM 349 C LYS A 23 15.724 -6.480 -26.296 1.00 0.00 C ATOM 350 O LYS A 23 16.043 -5.563 -25.540 1.00 0.00 O ATOM 351 CB LYS A 23 17.630 -7.487 -27.680 1.00 0.00 C ATOM 352 CG LYS A 23 18.664 -6.969 -26.678 1.00 0.00 C ATOM 353 CD LYS A 23 18.562 -7.717 -25.348 1.00 0.00 C ATOM 354 CE LYS A 23 19.742 -7.377 -24.436 1.00 0.00 C ATOM 355 NZ LYS A 23 19.284 -7.199 -23.040 1.00 0.00 N ATOM 0 H LYS A 23 16.454 -4.522 -27.559 1.00 0.00 H new ATOM 0 HA LYS A 23 15.656 -7.122 -28.317 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.363 -8.515 -27.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 18.063 -7.501 -28.680 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.666 -7.088 -27.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.512 -5.902 -26.512 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.627 -7.457 -24.851 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.537 -8.791 -25.532 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.486 -8.172 -24.482 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.228 -6.466 -24.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.098 -6.969 -22.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.591 -6.425 -22.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.841 -8.078 -22.705 1.00 0.00 H new ATOM 369 N LEU A 24 14.822 -7.408 -26.010 1.00 0.00 N ATOM 370 CA LEU A 24 14.124 -7.406 -24.736 1.00 0.00 C ATOM 371 C LEU A 24 13.891 -8.849 -24.285 1.00 0.00 C ATOM 372 O LEU A 24 14.096 -9.785 -25.056 1.00 0.00 O ATOM 373 CB LEU A 24 12.842 -6.576 -24.830 1.00 0.00 C ATOM 374 CG LEU A 24 12.990 -5.078 -24.553 1.00 0.00 C ATOM 375 CD1 LEU A 24 11.814 -4.294 -25.138 1.00 0.00 C ATOM 376 CD2 LEU A 24 13.169 -4.813 -23.057 1.00 0.00 C ATOM 0 H LEU A 24 14.559 -8.166 -26.639 1.00 0.00 H new ATOM 0 HA LEU A 24 14.732 -6.926 -23.969 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.425 -6.701 -25.829 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.116 -6.985 -24.128 1.00 0.00 H new ATOM 0 HG LEU A 24 13.892 -4.725 -25.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.944 -3.232 -24.927 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.775 -4.448 -26.216 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.884 -4.642 -24.688 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.272 -3.741 -22.887 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.299 -5.184 -22.515 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.064 -5.324 -22.701 1.00 0.00 H new ATOM 388 N THR A 25 13.464 -8.984 -23.038 1.00 0.00 N ATOM 389 CA THR A 25 13.201 -10.297 -22.475 1.00 0.00 C ATOM 390 C THR A 25 12.204 -10.192 -21.319 1.00 0.00 C ATOM 391 O THR A 25 12.577 -9.832 -20.203 1.00 0.00 O ATOM 392 CB THR A 25 14.540 -10.914 -22.067 1.00 0.00 C ATOM 393 OG1 THR A 25 15.144 -9.920 -21.243 1.00 0.00 O ATOM 394 CG2 THR A 25 15.504 -11.054 -23.248 1.00 0.00 C ATOM 0 H THR A 25 13.294 -8.205 -22.402 1.00 0.00 H new ATOM 0 HA THR A 25 12.733 -10.954 -23.208 1.00 0.00 H new ATOM 0 HB THR A 25 14.367 -11.893 -21.621 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.495 -9.607 -20.579 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.439 -11.497 -22.904 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.057 -11.694 -24.008 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.703 -10.070 -23.673 1.00 0.00 H new ATOM 402 N LEU A 26 10.955 -10.511 -21.626 1.00 0.00 N ATOM 403 CA LEU A 26 9.902 -10.457 -20.626 1.00 0.00 C ATOM 404 C LEU A 26 10.397 -11.109 -19.334 1.00 0.00 C ATOM 405 O LEU A 26 10.142 -10.603 -18.242 1.00 0.00 O ATOM 406 CB LEU A 26 8.613 -11.076 -21.172 1.00 0.00 C ATOM 407 CG LEU A 26 7.694 -11.731 -20.139 1.00 0.00 C ATOM 408 CD1 LEU A 26 6.909 -10.677 -19.356 1.00 0.00 C ATOM 409 CD2 LEU A 26 6.772 -12.758 -20.800 1.00 0.00 C ATOM 0 H LEU A 26 10.649 -10.808 -22.553 1.00 0.00 H new ATOM 0 HA LEU A 26 9.656 -9.422 -20.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.050 -10.298 -21.688 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.880 -11.825 -21.918 1.00 0.00 H new ATOM 0 HG LEU A 26 8.314 -12.268 -19.422 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.264 -11.170 -18.629 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.604 -10.017 -18.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.299 -10.092 -20.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.129 -13.209 -20.044 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.157 -12.264 -21.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.373 -13.534 -21.275 1.00 0.00 H new ATOM 421 N SER A 27 11.097 -12.221 -19.500 1.00 0.00 N ATOM 422 CA SER A 27 11.630 -12.947 -18.360 1.00 0.00 C ATOM 423 C SER A 27 12.621 -12.067 -17.596 1.00 0.00 C ATOM 424 O SER A 27 12.477 -11.865 -16.391 1.00 0.00 O ATOM 425 CB SER A 27 12.306 -14.247 -18.801 1.00 0.00 C ATOM 426 OG SER A 27 13.547 -14.457 -18.133 1.00 0.00 O ATOM 0 H SER A 27 11.308 -12.637 -20.407 1.00 0.00 H new ATOM 0 HA SER A 27 10.801 -13.206 -17.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.641 -15.087 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.474 -14.221 -19.878 1.00 0.00 H new ATOM 0 HG SER A 27 13.984 -15.255 -18.497 1.00 0.00 H new ATOM 432 N GLY A 28 13.605 -11.566 -18.328 1.00 0.00 N ATOM 433 CA GLY A 28 14.620 -10.712 -17.734 1.00 0.00 C ATOM 434 C GLY A 28 14.008 -9.404 -17.228 1.00 0.00 C ATOM 435 O GLY A 28 14.519 -8.799 -16.286 1.00 0.00 O ATOM 0 H GLY A 28 13.721 -11.735 -19.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.103 -11.235 -16.909 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.394 -10.495 -18.470 1.00 0.00 H new ATOM 439 N ILE A 29 12.922 -9.007 -17.875 1.00 0.00 N ATOM 440 CA ILE A 29 12.235 -7.782 -17.501 1.00 0.00 C ATOM 441 C ILE A 29 11.506 -7.996 -16.174 1.00 0.00 C ATOM 442 O ILE A 29 11.554 -7.142 -15.290 1.00 0.00 O ATOM 443 CB ILE A 29 11.322 -7.313 -18.636 1.00 0.00 C ATOM 444 CG1 ILE A 29 11.991 -6.208 -19.457 1.00 0.00 C ATOM 445 CG2 ILE A 29 9.957 -6.880 -18.098 1.00 0.00 C ATOM 446 CD1 ILE A 29 12.777 -6.796 -20.630 1.00 0.00 C ATOM 0 H ILE A 29 12.501 -9.511 -18.655 1.00 0.00 H new ATOM 0 HA ILE A 29 12.951 -6.975 -17.345 1.00 0.00 H new ATOM 0 HB ILE A 29 11.152 -8.155 -19.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.234 -5.519 -19.831 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.660 -5.631 -18.819 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.328 -6.551 -18.925 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.482 -7.721 -17.592 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.088 -6.059 -17.393 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.242 -5.990 -21.197 1.00 0.00 H new ATOM 0 HD12 ILE A 29 13.549 -7.466 -20.251 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.101 -7.352 -21.279 1.00 0.00 H new ATOM 458 N CYS A 30 10.847 -9.141 -16.075 1.00 0.00 N ATOM 459 CA CYS A 30 10.108 -9.478 -14.870 1.00 0.00 C ATOM 460 C CYS A 30 11.099 -9.565 -13.708 1.00 0.00 C ATOM 461 O CYS A 30 10.783 -9.166 -12.588 1.00 0.00 O ATOM 462 CB CYS A 30 9.311 -10.774 -15.039 1.00 0.00 C ATOM 463 SG CYS A 30 8.512 -11.227 -13.456 1.00 0.00 S ATOM 0 H CYS A 30 10.809 -9.847 -16.810 1.00 0.00 H new ATOM 0 HA CYS A 30 9.372 -8.701 -14.662 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.555 -10.648 -15.814 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.972 -11.577 -15.366 1.00 0.00 H new ATOM 0 HG CYS A 30 9.065 -10.562 -12.485 1.00 0.00 H new ATOM 469 N GLU A 31 12.277 -10.088 -14.014 1.00 0.00 N ATOM 470 CA GLU A 31 13.316 -10.232 -13.008 1.00 0.00 C ATOM 471 C GLU A 31 13.946 -8.873 -12.698 1.00 0.00 C ATOM 472 O GLU A 31 14.283 -8.589 -11.549 1.00 0.00 O ATOM 473 CB GLU A 31 14.377 -11.239 -13.457 1.00 0.00 C ATOM 474 CG GLU A 31 14.864 -12.084 -12.278 1.00 0.00 C ATOM 475 CD GLU A 31 16.299 -12.564 -12.503 1.00 0.00 C ATOM 476 OE1 GLU A 31 16.486 -13.378 -13.433 1.00 0.00 O ATOM 477 OE2 GLU A 31 17.177 -12.107 -11.740 1.00 0.00 O ATOM 0 H GLU A 31 12.535 -10.417 -14.944 1.00 0.00 H new ATOM 0 HA GLU A 31 12.861 -10.616 -12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.964 -11.889 -14.229 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.220 -10.711 -13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.812 -11.498 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.206 -12.943 -12.145 1.00 0.00 H new ATOM 484 N PHE A 32 14.085 -8.069 -13.741 1.00 0.00 N ATOM 485 CA PHE A 32 14.669 -6.746 -13.594 1.00 0.00 C ATOM 486 C PHE A 32 13.782 -5.849 -12.728 1.00 0.00 C ATOM 487 O PHE A 32 14.284 -5.009 -11.983 1.00 0.00 O ATOM 488 CB PHE A 32 14.768 -6.143 -14.997 1.00 0.00 C ATOM 489 CG PHE A 32 14.311 -4.685 -15.081 1.00 0.00 C ATOM 490 CD1 PHE A 32 15.146 -3.687 -14.688 1.00 0.00 C ATOM 491 CD2 PHE A 32 13.069 -4.389 -15.549 1.00 0.00 C ATOM 492 CE1 PHE A 32 14.722 -2.334 -14.767 1.00 0.00 C ATOM 493 CE2 PHE A 32 12.644 -3.036 -15.627 1.00 0.00 C ATOM 494 CZ PHE A 32 13.479 -2.037 -15.234 1.00 0.00 C ATOM 0 H PHE A 32 13.803 -8.308 -14.692 1.00 0.00 H new ATOM 0 HA PHE A 32 15.644 -6.821 -13.113 1.00 0.00 H new ATOM 0 HB2 PHE A 32 15.801 -6.209 -15.338 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.167 -6.741 -15.682 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.132 -3.923 -14.316 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.406 -5.182 -15.861 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.386 -1.541 -14.456 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.658 -2.800 -15.998 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.156 -1.008 -15.293 1.00 0.00 H new ATOM 504 N ILE A 33 12.480 -6.058 -12.855 1.00 0.00 N ATOM 505 CA ILE A 33 11.519 -5.279 -12.093 1.00 0.00 C ATOM 506 C ILE A 33 11.393 -5.867 -10.686 1.00 0.00 C ATOM 507 O ILE A 33 11.553 -5.156 -9.695 1.00 0.00 O ATOM 508 CB ILE A 33 10.189 -5.187 -12.842 1.00 0.00 C ATOM 509 CG1 ILE A 33 10.177 -3.990 -13.795 1.00 0.00 C ATOM 510 CG2 ILE A 33 9.011 -5.155 -11.867 1.00 0.00 C ATOM 511 CD1 ILE A 33 9.558 -4.367 -15.142 1.00 0.00 C ATOM 0 H ILE A 33 12.068 -6.756 -13.474 1.00 0.00 H new ATOM 0 HA ILE A 33 11.866 -4.252 -11.980 1.00 0.00 H new ATOM 0 HB ILE A 33 10.078 -6.084 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.613 -3.171 -13.348 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.195 -3.631 -13.946 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.078 -5.089 -12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.011 -6.065 -11.266 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.104 -4.288 -11.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.562 -3.498 -15.800 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.138 -5.170 -15.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.532 -4.702 -14.990 1.00 0.00 H new ATOM 523 N SER A 34 11.108 -7.160 -10.643 1.00 0.00 N ATOM 524 CA SER A 34 10.959 -7.852 -9.374 1.00 0.00 C ATOM 525 C SER A 34 12.108 -7.478 -8.436 1.00 0.00 C ATOM 526 O SER A 34 11.890 -7.227 -7.251 1.00 0.00 O ATOM 527 CB SER A 34 10.910 -9.368 -9.576 1.00 0.00 C ATOM 528 OG SER A 34 12.140 -9.879 -10.083 1.00 0.00 O ATOM 0 H SER A 34 10.976 -7.747 -11.467 1.00 0.00 H new ATOM 0 HA SER A 34 10.016 -7.542 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.680 -9.853 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.103 -9.616 -10.265 1.00 0.00 H new ATOM 0 HG SER A 34 12.127 -10.858 -10.047 1.00 0.00 H new ATOM 534 N ASN A 35 13.306 -7.452 -9.001 1.00 0.00 N ATOM 535 CA ASN A 35 14.490 -7.113 -8.229 1.00 0.00 C ATOM 536 C ASN A 35 14.387 -5.661 -7.757 1.00 0.00 C ATOM 537 O ASN A 35 14.603 -5.370 -6.582 1.00 0.00 O ATOM 538 CB ASN A 35 15.757 -7.246 -9.077 1.00 0.00 C ATOM 539 CG ASN A 35 16.685 -8.322 -8.511 1.00 0.00 C ATOM 540 OD1 ASN A 35 17.694 -8.042 -7.885 1.00 0.00 O ATOM 541 ND2 ASN A 35 16.289 -9.566 -8.765 1.00 0.00 N ATOM 0 H ASN A 35 13.483 -7.660 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 35 14.549 -7.798 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.487 -7.496 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.280 -6.290 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.841 -10.355 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.433 -9.731 -9.295 1.00 0.00 H new ATOM 548 N ARG A 36 14.057 -4.789 -8.698 1.00 0.00 N ATOM 549 CA ARG A 36 13.923 -3.374 -8.393 1.00 0.00 C ATOM 550 C ARG A 36 12.864 -3.163 -7.309 1.00 0.00 C ATOM 551 O ARG A 36 13.039 -2.332 -6.419 1.00 0.00 O ATOM 552 CB ARG A 36 13.533 -2.577 -9.639 1.00 0.00 C ATOM 553 CG ARG A 36 14.731 -2.401 -10.575 1.00 0.00 C ATOM 554 CD ARG A 36 15.791 -1.497 -9.943 1.00 0.00 C ATOM 555 NE ARG A 36 17.084 -2.213 -9.861 1.00 0.00 N ATOM 556 CZ ARG A 36 18.191 -1.703 -9.306 1.00 0.00 C ATOM 557 NH1 ARG A 36 18.171 -0.471 -8.779 1.00 0.00 N ATOM 558 NH2 ARG A 36 19.319 -2.426 -9.276 1.00 0.00 N ATOM 0 H ARG A 36 13.878 -5.034 -9.672 1.00 0.00 H new ATOM 0 HA ARG A 36 14.890 -3.019 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.728 -3.089 -10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.150 -1.600 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.166 -3.374 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.399 -1.972 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.906 -0.589 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.472 -1.190 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 36 17.135 -3.154 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.312 0.079 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.015 -0.083 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.334 -3.364 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.162 -2.038 -8.853 1.00 0.00 H new ATOM 572 N PHE A 37 11.788 -3.929 -7.420 1.00 0.00 N ATOM 573 CA PHE A 37 10.701 -3.837 -6.460 1.00 0.00 C ATOM 574 C PHE A 37 10.315 -5.220 -5.934 1.00 0.00 C ATOM 575 O PHE A 37 9.508 -5.918 -6.546 1.00 0.00 O ATOM 576 CB PHE A 37 9.505 -3.232 -7.197 1.00 0.00 C ATOM 577 CG PHE A 37 9.888 -2.244 -8.301 1.00 0.00 C ATOM 578 CD1 PHE A 37 10.091 -2.689 -9.570 1.00 0.00 C ATOM 579 CD2 PHE A 37 10.025 -0.922 -8.014 1.00 0.00 C ATOM 580 CE1 PHE A 37 10.447 -1.773 -10.595 1.00 0.00 C ATOM 581 CE2 PHE A 37 10.381 -0.006 -9.039 1.00 0.00 C ATOM 582 CZ PHE A 37 10.584 -0.451 -10.308 1.00 0.00 C ATOM 0 H PHE A 37 11.646 -4.616 -8.160 1.00 0.00 H new ATOM 0 HA PHE A 37 11.006 -3.227 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.915 -4.038 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.866 -2.724 -6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.981 -3.739 -9.798 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.863 -0.569 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.609 -2.126 -11.603 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.491 1.044 -8.811 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.854 0.246 -11.088 1.00 0.00 H new ATOM 592 N PRO A 38 10.925 -5.586 -4.775 1.00 0.00 N ATOM 593 CA PRO A 38 10.653 -6.873 -4.159 1.00 0.00 C ATOM 594 C PRO A 38 9.283 -6.878 -3.480 1.00 0.00 C ATOM 595 O PRO A 38 8.707 -7.938 -3.242 1.00 0.00 O ATOM 596 CB PRO A 38 11.800 -7.094 -3.186 1.00 0.00 C ATOM 597 CG PRO A 38 12.417 -5.725 -2.952 1.00 0.00 C ATOM 598 CD PRO A 38 11.887 -4.785 -4.022 1.00 0.00 C ATOM 0 HA PRO A 38 10.603 -7.684 -4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.442 -7.526 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.533 -7.788 -3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.161 -5.356 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.504 -5.783 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.413 -3.909 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.690 -4.423 -4.664 1.00 0.00 H new ATOM 606 N TYR A 39 8.800 -5.679 -3.186 1.00 0.00 N ATOM 607 CA TYR A 39 7.507 -5.532 -2.538 1.00 0.00 C ATOM 608 C TYR A 39 6.369 -5.647 -3.554 1.00 0.00 C ATOM 609 O TYR A 39 5.266 -6.071 -3.210 1.00 0.00 O ATOM 610 CB TYR A 39 7.496 -4.126 -1.934 1.00 0.00 C ATOM 611 CG TYR A 39 6.559 -3.971 -0.736 1.00 0.00 C ATOM 612 CD1 TYR A 39 5.200 -4.151 -0.895 1.00 0.00 C ATOM 613 CD2 TYR A 39 7.072 -3.651 0.505 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.317 -4.005 0.233 1.00 0.00 C ATOM 615 CE2 TYR A 39 6.189 -3.505 1.633 1.00 0.00 C ATOM 616 CZ TYR A 39 4.855 -3.689 1.442 1.00 0.00 C ATOM 617 OH TYR A 39 4.022 -3.551 2.508 1.00 0.00 O ATOM 0 H TYR A 39 9.280 -4.801 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 39 7.362 -6.310 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.509 -3.866 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.204 -3.413 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.799 -4.401 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.135 -3.510 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.252 -4.143 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.577 -3.255 2.609 1.00 0.00 H new ATOM 0 HH TYR A 39 4.546 -3.326 3.305 1.00 0.00 H new ATOM 627 N TYR A 40 6.674 -5.261 -4.784 1.00 0.00 N ATOM 628 CA TYR A 40 5.690 -5.315 -5.851 1.00 0.00 C ATOM 629 C TYR A 40 5.292 -6.760 -6.157 1.00 0.00 C ATOM 630 O TYR A 40 4.131 -7.134 -6.000 1.00 0.00 O ATOM 631 CB TYR A 40 6.371 -4.714 -7.083 1.00 0.00 C ATOM 632 CG TYR A 40 5.410 -4.012 -8.045 1.00 0.00 C ATOM 633 CD1 TYR A 40 4.549 -3.042 -7.574 1.00 0.00 C ATOM 634 CD2 TYR A 40 5.405 -4.349 -9.383 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.645 -2.381 -8.479 1.00 0.00 C ATOM 636 CE2 TYR A 40 4.501 -3.688 -10.288 1.00 0.00 C ATOM 637 CZ TYR A 40 3.665 -2.736 -9.791 1.00 0.00 C ATOM 638 OH TYR A 40 2.811 -2.112 -10.646 1.00 0.00 O ATOM 0 H TYR A 40 7.589 -4.909 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 40 4.786 -4.775 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.127 -4.000 -6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.892 -5.506 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.553 -2.779 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.079 -5.108 -9.751 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.966 -1.620 -8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.487 -3.942 -11.338 1.00 0.00 H new ATOM 0 HH TYR A 40 2.561 -2.728 -11.366 1.00 0.00 H new ATOM 648 N ARG A 41 6.278 -7.533 -6.588 1.00 0.00 N ATOM 649 CA ARG A 41 6.045 -8.929 -6.917 1.00 0.00 C ATOM 650 C ARG A 41 5.356 -9.642 -5.752 1.00 0.00 C ATOM 651 O ARG A 41 4.566 -10.561 -5.961 1.00 0.00 O ATOM 652 CB ARG A 41 7.358 -9.646 -7.239 1.00 0.00 C ATOM 653 CG ARG A 41 7.123 -11.138 -7.480 1.00 0.00 C ATOM 654 CD ARG A 41 7.487 -11.958 -6.241 1.00 0.00 C ATOM 655 NE ARG A 41 6.427 -12.953 -5.963 1.00 0.00 N ATOM 656 CZ ARG A 41 6.327 -14.137 -6.582 1.00 0.00 C ATOM 657 NH1 ARG A 41 7.222 -14.481 -7.518 1.00 0.00 N ATOM 658 NH2 ARG A 41 5.332 -14.976 -6.265 1.00 0.00 N ATOM 0 H ARG A 41 7.240 -7.219 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 41 5.402 -8.959 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.814 -9.199 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.060 -9.513 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.078 -11.308 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.720 -11.471 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.440 -12.464 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.612 -11.299 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 41 5.729 -12.723 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.979 -13.842 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.146 -15.382 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.651 -14.713 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.255 -15.877 -6.736 1.00 0.00 H new ATOM 672 N GLU A 42 5.680 -9.190 -4.549 1.00 0.00 N ATOM 673 CA GLU A 42 5.102 -9.772 -3.350 1.00 0.00 C ATOM 674 C GLU A 42 3.714 -9.184 -3.090 1.00 0.00 C ATOM 675 O GLU A 42 2.892 -9.799 -2.413 1.00 0.00 O ATOM 676 CB GLU A 42 6.020 -9.567 -2.143 1.00 0.00 C ATOM 677 CG GLU A 42 6.518 -10.907 -1.599 1.00 0.00 C ATOM 678 CD GLU A 42 5.536 -11.484 -0.578 1.00 0.00 C ATOM 679 OE1 GLU A 42 4.987 -10.675 0.201 1.00 0.00 O ATOM 680 OE2 GLU A 42 5.355 -12.721 -0.599 1.00 0.00 O ATOM 0 H GLU A 42 6.336 -8.427 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 42 4.996 -10.846 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.870 -8.948 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.484 -9.030 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.649 -11.611 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.495 -10.774 -1.134 1.00 0.00 H new ATOM 687 N LYS A 43 3.496 -7.999 -3.641 1.00 0.00 N ATOM 688 CA LYS A 43 2.221 -7.320 -3.477 1.00 0.00 C ATOM 689 C LYS A 43 1.374 -7.525 -4.735 1.00 0.00 C ATOM 690 O LYS A 43 0.428 -6.777 -4.979 1.00 0.00 O ATOM 691 CB LYS A 43 2.440 -5.850 -3.116 1.00 0.00 C ATOM 692 CG LYS A 43 1.161 -5.228 -2.552 1.00 0.00 C ATOM 693 CD LYS A 43 0.597 -4.173 -3.507 1.00 0.00 C ATOM 694 CE LYS A 43 -0.932 -4.190 -3.501 1.00 0.00 C ATOM 695 NZ LYS A 43 -1.456 -4.124 -4.884 1.00 0.00 N ATOM 0 H LYS A 43 4.181 -7.491 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 43 1.665 -7.749 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.243 -5.767 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.758 -5.298 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.417 -6.007 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.370 -4.773 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.954 -3.185 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.962 -4.359 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.290 -5.097 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.309 -3.347 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.496 -4.136 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.130 -3.247 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.111 -4.942 -5.425 1.00 0.00 H new ATOM 709 N PHE A 44 1.743 -8.542 -5.499 1.00 0.00 N ATOM 710 CA PHE A 44 1.029 -8.855 -6.725 1.00 0.00 C ATOM 711 C PHE A 44 1.178 -10.335 -7.084 1.00 0.00 C ATOM 712 O PHE A 44 2.148 -10.725 -7.731 1.00 0.00 O ATOM 713 CB PHE A 44 1.653 -8.007 -7.835 1.00 0.00 C ATOM 714 CG PHE A 44 0.720 -6.933 -8.397 1.00 0.00 C ATOM 715 CD1 PHE A 44 -0.412 -7.293 -9.060 1.00 0.00 C ATOM 716 CD2 PHE A 44 1.022 -5.617 -8.232 1.00 0.00 C ATOM 717 CE1 PHE A 44 -1.277 -6.295 -9.581 1.00 0.00 C ATOM 718 CE2 PHE A 44 0.156 -4.619 -8.753 1.00 0.00 C ATOM 719 CZ PHE A 44 -0.976 -4.979 -9.416 1.00 0.00 C ATOM 0 H PHE A 44 2.528 -9.160 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.033 -8.645 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.552 -7.527 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.966 -8.663 -8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.653 -8.338 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.920 -5.331 -7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.175 -6.581 -10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.396 -3.574 -8.623 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.635 -4.220 -9.811 1.00 0.00 H new ATOM 729 N PRO A 45 0.176 -11.139 -6.638 1.00 0.00 N ATOM 730 CA PRO A 45 0.187 -12.567 -6.905 1.00 0.00 C ATOM 731 C PRO A 45 -0.185 -12.855 -8.361 1.00 0.00 C ATOM 732 O PRO A 45 -0.562 -13.975 -8.700 1.00 0.00 O ATOM 733 CB PRO A 45 -0.799 -13.161 -5.912 1.00 0.00 C ATOM 734 CG PRO A 45 -1.666 -12.004 -5.443 1.00 0.00 C ATOM 735 CD PRO A 45 -0.989 -10.711 -5.869 1.00 0.00 C ATOM 0 HA PRO A 45 1.175 -13.011 -6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.404 -13.938 -6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.278 -13.624 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.663 -12.074 -5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.787 -12.032 -4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.656 -10.094 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.696 -10.114 -5.005 1.00 0.00 H new ATOM 743 N ALA A 46 -0.066 -11.823 -9.184 1.00 0.00 N ATOM 744 CA ALA A 46 -0.385 -11.951 -10.596 1.00 0.00 C ATOM 745 C ALA A 46 -0.268 -10.581 -11.267 1.00 0.00 C ATOM 746 O ALA A 46 -1.269 -9.891 -11.458 1.00 0.00 O ATOM 747 CB ALA A 46 -1.780 -12.559 -10.751 1.00 0.00 C ATOM 0 H ALA A 46 0.247 -10.895 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 46 0.319 -12.621 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.019 -12.655 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.802 -13.543 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.514 -11.912 -10.270 1.00 0.00 H new ATOM 753 N TRP A 47 0.963 -10.226 -11.606 1.00 0.00 N ATOM 754 CA TRP A 47 1.224 -8.951 -12.251 1.00 0.00 C ATOM 755 C TRP A 47 1.997 -9.224 -13.543 1.00 0.00 C ATOM 756 O TRP A 47 2.811 -8.406 -13.968 1.00 0.00 O ATOM 757 CB TRP A 47 1.957 -7.998 -11.306 1.00 0.00 C ATOM 758 CG TRP A 47 3.366 -8.460 -10.926 1.00 0.00 C ATOM 759 CD1 TRP A 47 3.716 -9.367 -10.003 1.00 0.00 C ATOM 760 CD2 TRP A 47 4.606 -7.997 -11.500 1.00 0.00 C ATOM 761 NE1 TRP A 47 5.086 -9.522 -9.941 1.00 0.00 N ATOM 762 CE2 TRP A 47 5.644 -8.663 -10.880 1.00 0.00 C ATOM 763 CE3 TRP A 47 4.844 -7.048 -12.510 1.00 0.00 C ATOM 764 CZ2 TRP A 47 6.991 -8.451 -11.200 1.00 0.00 C ATOM 765 CZ3 TRP A 47 6.195 -6.848 -12.818 1.00 0.00 C ATOM 766 CH2 TRP A 47 7.251 -7.510 -12.203 1.00 0.00 C ATOM 0 H TRP A 47 1.791 -10.800 -11.446 1.00 0.00 H new ATOM 0 HA TRP A 47 0.290 -8.449 -12.504 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.022 -7.016 -11.775 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.367 -7.879 -10.397 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.014 -9.908 -9.386 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.595 -10.151 -9.320 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.048 -6.516 -13.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.786 -8.985 -10.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 6.433 -6.129 -13.588 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.268 -7.299 -12.498 1.00 0.00 H new ATOM 777 N GLN A 48 1.715 -10.377 -14.132 1.00 0.00 N ATOM 778 CA GLN A 48 2.373 -10.769 -15.366 1.00 0.00 C ATOM 779 C GLN A 48 1.696 -10.099 -16.564 1.00 0.00 C ATOM 780 O GLN A 48 2.368 -9.527 -17.421 1.00 0.00 O ATOM 781 CB GLN A 48 2.385 -12.290 -15.523 1.00 0.00 C ATOM 782 CG GLN A 48 2.613 -12.689 -16.982 1.00 0.00 C ATOM 783 CD GLN A 48 1.286 -12.786 -17.738 1.00 0.00 C ATOM 784 OE1 GLN A 48 0.415 -13.577 -17.416 1.00 0.00 O ATOM 785 NE2 GLN A 48 1.182 -11.940 -18.759 1.00 0.00 N ATOM 0 H GLN A 48 1.039 -11.053 -13.777 1.00 0.00 H new ATOM 0 HA GLN A 48 3.409 -10.434 -15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.170 -12.717 -14.899 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.439 -12.703 -15.173 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.259 -11.957 -17.466 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.130 -13.647 -17.024 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.950 -11.304 -18.974 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.335 -11.927 -19.327 1.00 0.00 H new ATOM 794 N ASN A 49 0.375 -10.193 -16.585 1.00 0.00 N ATOM 795 CA ASN A 49 -0.400 -9.603 -17.663 1.00 0.00 C ATOM 796 C ASN A 49 -0.401 -8.081 -17.512 1.00 0.00 C ATOM 797 O ASN A 49 -0.299 -7.355 -18.500 1.00 0.00 O ATOM 798 CB ASN A 49 -1.852 -10.083 -17.624 1.00 0.00 C ATOM 799 CG ASN A 49 -1.928 -11.609 -17.702 1.00 0.00 C ATOM 800 OD1 ASN A 49 -1.273 -12.248 -18.509 1.00 0.00 O ATOM 801 ND2 ASN A 49 -2.761 -12.155 -16.821 1.00 0.00 N ATOM 0 H ASN A 49 -0.179 -10.669 -15.873 1.00 0.00 H new ATOM 0 HA ASN A 49 0.054 -9.903 -18.607 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.328 -9.738 -16.706 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.406 -9.645 -18.454 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.882 -13.167 -16.793 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.279 -11.561 -16.173 1.00 0.00 H new ATOM 808 N SER A 50 -0.517 -7.642 -16.268 1.00 0.00 N ATOM 809 CA SER A 50 -0.532 -6.219 -15.974 1.00 0.00 C ATOM 810 C SER A 50 0.614 -5.521 -16.709 1.00 0.00 C ATOM 811 O SER A 50 0.385 -4.597 -17.488 1.00 0.00 O ATOM 812 CB SER A 50 -0.430 -5.965 -14.469 1.00 0.00 C ATOM 813 OG SER A 50 -1.249 -6.859 -13.720 1.00 0.00 O ATOM 0 H SER A 50 -0.602 -8.247 -15.451 1.00 0.00 H new ATOM 0 HA SER A 50 -1.481 -5.809 -16.320 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.608 -6.073 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.724 -4.938 -14.254 1.00 0.00 H new ATOM 0 HG SER A 50 -1.155 -6.666 -12.764 1.00 0.00 H new ATOM 819 N ILE A 51 1.822 -5.989 -16.435 1.00 0.00 N ATOM 820 CA ILE A 51 3.005 -5.421 -17.060 1.00 0.00 C ATOM 821 C ILE A 51 2.968 -5.705 -18.563 1.00 0.00 C ATOM 822 O ILE A 51 3.276 -4.831 -19.372 1.00 0.00 O ATOM 823 CB ILE A 51 4.272 -5.928 -16.370 1.00 0.00 C ATOM 824 CG1 ILE A 51 5.492 -5.106 -16.790 1.00 0.00 C ATOM 825 CG2 ILE A 51 4.474 -7.424 -16.624 1.00 0.00 C ATOM 826 CD1 ILE A 51 5.949 -4.185 -15.656 1.00 0.00 C ATOM 0 H ILE A 51 2.008 -6.756 -15.788 1.00 0.00 H new ATOM 0 HA ILE A 51 3.016 -4.338 -16.939 1.00 0.00 H new ATOM 0 HB ILE A 51 4.150 -5.797 -15.295 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.306 -5.774 -17.071 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.249 -4.512 -17.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.382 -7.759 -16.122 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.619 -7.978 -16.235 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.565 -7.602 -17.696 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.818 -3.612 -15.980 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.141 -3.502 -15.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.214 -4.784 -14.785 1.00 0.00 H new ATOM 838 N ARG A 52 2.587 -6.931 -18.892 1.00 0.00 N ATOM 839 CA ARG A 52 2.506 -7.342 -20.284 1.00 0.00 C ATOM 840 C ARG A 52 1.606 -6.384 -21.068 1.00 0.00 C ATOM 841 O ARG A 52 1.823 -6.157 -22.257 1.00 0.00 O ATOM 842 CB ARG A 52 1.955 -8.764 -20.407 1.00 0.00 C ATOM 843 CG ARG A 52 2.609 -9.506 -21.574 1.00 0.00 C ATOM 844 CD ARG A 52 2.514 -8.690 -22.865 1.00 0.00 C ATOM 845 NE ARG A 52 1.098 -8.385 -23.168 1.00 0.00 N ATOM 846 CZ ARG A 52 0.608 -8.246 -24.408 1.00 0.00 C ATOM 847 NH1 ARG A 52 1.417 -8.384 -25.467 1.00 0.00 N ATOM 848 NH2 ARG A 52 -0.690 -7.969 -24.588 1.00 0.00 N ATOM 0 H ARG A 52 2.331 -7.653 -18.219 1.00 0.00 H new ATOM 0 HA ARG A 52 3.515 -7.319 -20.696 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.133 -9.308 -19.480 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.875 -8.728 -20.553 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.655 -9.706 -21.342 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.123 -10.472 -21.713 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.080 -7.764 -22.762 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.959 -9.246 -23.690 1.00 0.00 H new ATOM 0 HE ARG A 52 0.455 -8.274 -22.384 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.405 -8.595 -25.330 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.044 -8.278 -26.411 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.306 -7.864 -23.782 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.063 -7.863 -25.532 1.00 0.00 H new ATOM 862 N HIS A 53 0.616 -5.847 -20.370 1.00 0.00 N ATOM 863 CA HIS A 53 -0.317 -4.919 -20.986 1.00 0.00 C ATOM 864 C HIS A 53 0.372 -3.571 -21.207 1.00 0.00 C ATOM 865 O HIS A 53 0.426 -3.074 -22.331 1.00 0.00 O ATOM 866 CB HIS A 53 -1.596 -4.803 -20.154 1.00 0.00 C ATOM 867 CG HIS A 53 -2.475 -3.637 -20.540 1.00 0.00 C ATOM 868 ND1 HIS A 53 -2.201 -2.334 -20.161 1.00 0.00 N ATOM 869 CD2 HIS A 53 -3.623 -3.591 -21.274 1.00 0.00 C ATOM 870 CE1 HIS A 53 -3.149 -1.548 -20.650 1.00 0.00 C ATOM 871 NE2 HIS A 53 -4.030 -2.329 -21.340 1.00 0.00 N ATOM 0 H HIS A 53 0.440 -6.037 -19.383 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.621 -5.296 -21.962 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.168 -5.725 -20.255 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.326 -4.709 -19.102 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.118 -4.438 -21.726 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.213 -0.477 -20.525 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.863 -1.998 -21.826 1.00 0.00 H new ATOM 879 N ASN A 54 0.880 -3.016 -20.116 1.00 0.00 N ATOM 880 CA ASN A 54 1.563 -1.735 -20.177 1.00 0.00 C ATOM 881 C ASN A 54 2.866 -1.893 -20.962 1.00 0.00 C ATOM 882 O ASN A 54 3.474 -0.904 -21.369 1.00 0.00 O ATOM 883 CB ASN A 54 1.913 -1.231 -18.775 1.00 0.00 C ATOM 884 CG ASN A 54 1.046 -0.031 -18.391 1.00 0.00 C ATOM 885 OD1 ASN A 54 0.413 0.002 -17.348 1.00 0.00 O ATOM 886 ND2 ASN A 54 1.051 0.950 -19.289 1.00 0.00 N ATOM 0 H ASN A 54 0.832 -3.430 -19.185 1.00 0.00 H new ATOM 0 HA ASN A 54 0.898 -1.021 -20.662 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.771 -2.033 -18.051 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.966 -0.950 -18.738 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.503 1.794 -19.125 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.603 0.858 -20.142 1.00 0.00 H new ATOM 893 N LEU A 55 3.257 -3.144 -21.152 1.00 0.00 N ATOM 894 CA LEU A 55 4.477 -3.444 -21.882 1.00 0.00 C ATOM 895 C LEU A 55 4.177 -3.469 -23.382 1.00 0.00 C ATOM 896 O LEU A 55 4.772 -2.716 -24.150 1.00 0.00 O ATOM 897 CB LEU A 55 5.110 -4.736 -21.360 1.00 0.00 C ATOM 898 CG LEU A 55 6.497 -5.074 -21.910 1.00 0.00 C ATOM 899 CD1 LEU A 55 7.296 -3.802 -22.200 1.00 0.00 C ATOM 900 CD2 LEU A 55 7.245 -6.019 -20.968 1.00 0.00 C ATOM 0 H LEU A 55 2.751 -3.962 -20.813 1.00 0.00 H new ATOM 0 HA LEU A 55 5.220 -2.663 -21.718 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.178 -4.671 -20.274 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.439 -5.564 -21.588 1.00 0.00 H new ATOM 0 HG LEU A 55 6.371 -5.598 -22.857 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.278 -4.070 -22.590 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.765 -3.199 -22.937 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.415 -3.229 -21.280 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.228 -6.243 -21.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.362 -5.544 -19.994 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.679 -6.944 -20.856 1.00 0.00 H new ATOM 912 N SER A 56 3.253 -4.343 -23.753 1.00 0.00 N ATOM 913 CA SER A 56 2.866 -4.476 -25.147 1.00 0.00 C ATOM 914 C SER A 56 1.938 -3.326 -25.545 1.00 0.00 C ATOM 915 O SER A 56 2.172 -2.653 -26.547 1.00 0.00 O ATOM 916 CB SER A 56 2.183 -5.821 -25.404 1.00 0.00 C ATOM 917 OG SER A 56 0.806 -5.800 -25.037 1.00 0.00 O ATOM 0 H SER A 56 2.761 -4.966 -23.112 1.00 0.00 H new ATOM 0 HA SER A 56 3.768 -4.435 -25.757 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.273 -6.077 -26.460 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.696 -6.601 -24.842 1.00 0.00 H new ATOM 0 HG SER A 56 0.252 -5.836 -25.844 1.00 0.00 H new ATOM 923 N LEU A 57 0.904 -3.136 -24.738 1.00 0.00 N ATOM 924 CA LEU A 57 -0.059 -2.079 -24.993 1.00 0.00 C ATOM 925 C LEU A 57 0.500 -0.750 -24.482 1.00 0.00 C ATOM 926 O LEU A 57 0.190 -0.328 -23.369 1.00 0.00 O ATOM 927 CB LEU A 57 -1.422 -2.442 -24.399 1.00 0.00 C ATOM 928 CG LEU A 57 -2.400 -3.143 -25.343 1.00 0.00 C ATOM 929 CD1 LEU A 57 -2.616 -4.599 -24.927 1.00 0.00 C ATOM 930 CD2 LEU A 57 -3.719 -2.372 -25.436 1.00 0.00 C ATOM 0 H LEU A 57 0.713 -3.696 -23.907 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.224 -1.964 -26.064 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.259 -3.085 -23.534 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.892 -1.529 -24.034 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.962 -3.155 -26.341 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.316 -5.074 -25.615 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.664 -5.130 -24.953 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.022 -4.632 -23.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.397 -2.891 -26.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.173 -2.307 -24.447 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.528 -1.368 -25.814 1.00 0.00 H new ATOM 942 N ASN A 58 1.316 -0.127 -25.319 1.00 0.00 N ATOM 943 CA ASN A 58 1.922 1.146 -24.966 1.00 0.00 C ATOM 944 C ASN A 58 3.090 1.429 -25.913 1.00 0.00 C ATOM 945 O ASN A 58 3.054 2.392 -26.677 1.00 0.00 O ATOM 946 CB ASN A 58 2.468 1.118 -23.537 1.00 0.00 C ATOM 947 CG ASN A 58 1.793 2.184 -22.672 1.00 0.00 C ATOM 948 OD1 ASN A 58 2.426 2.889 -21.903 1.00 0.00 O ATOM 949 ND2 ASN A 58 0.476 2.263 -22.839 1.00 0.00 N ATOM 0 H ASN A 58 1.572 -0.480 -26.241 1.00 0.00 H new ATOM 0 HA ASN A 58 1.157 1.918 -25.045 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.304 0.133 -23.100 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.545 1.285 -23.552 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.066 2.944 -22.307 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.008 1.643 -23.499 1.00 0.00 H new ATOM 956 N ASP A 59 4.099 0.574 -25.830 1.00 0.00 N ATOM 957 CA ASP A 59 5.275 0.721 -26.670 1.00 0.00 C ATOM 958 C ASP A 59 4.894 0.448 -28.126 1.00 0.00 C ATOM 959 O ASP A 59 5.222 1.233 -29.015 1.00 0.00 O ATOM 960 CB ASP A 59 6.364 -0.277 -26.271 1.00 0.00 C ATOM 961 CG ASP A 59 6.765 -0.242 -24.795 1.00 0.00 C ATOM 962 OD1 ASP A 59 5.853 -0.406 -23.956 1.00 0.00 O ATOM 963 OD2 ASP A 59 7.973 -0.053 -24.539 1.00 0.00 O ATOM 0 H ASP A 59 4.126 -0.223 -25.194 1.00 0.00 H new ATOM 0 HA ASP A 59 5.653 1.736 -26.547 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.021 -1.282 -26.515 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.250 -0.087 -26.877 1.00 0.00 H new ATOM 968 N CYS A 60 4.208 -0.667 -28.326 1.00 0.00 N ATOM 969 CA CYS A 60 3.779 -1.053 -29.660 1.00 0.00 C ATOM 970 C CYS A 60 4.963 -1.705 -30.376 1.00 0.00 C ATOM 971 O CYS A 60 5.442 -1.191 -31.385 1.00 0.00 O ATOM 972 CB CYS A 60 3.224 0.138 -30.442 1.00 0.00 C ATOM 973 SG CYS A 60 1.504 -0.203 -30.967 1.00 0.00 S ATOM 0 H CYS A 60 3.938 -1.316 -27.587 1.00 0.00 H new ATOM 0 HA CYS A 60 2.961 -1.769 -29.588 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.253 1.035 -29.823 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.847 0.333 -31.315 1.00 0.00 H new ATOM 0 HG CYS A 60 1.042 0.816 -31.628 1.00 0.00 H new ATOM 979 N PHE A 61 5.402 -2.827 -29.825 1.00 0.00 N ATOM 980 CA PHE A 61 6.522 -3.555 -30.399 1.00 0.00 C ATOM 981 C PHE A 61 6.152 -5.017 -30.656 1.00 0.00 C ATOM 982 O PHE A 61 4.974 -5.372 -30.659 1.00 0.00 O ATOM 983 CB PHE A 61 7.660 -3.501 -29.378 1.00 0.00 C ATOM 984 CG PHE A 61 7.217 -3.767 -27.938 1.00 0.00 C ATOM 985 CD1 PHE A 61 6.440 -4.847 -27.654 1.00 0.00 C ATOM 986 CD2 PHE A 61 7.601 -2.925 -26.941 1.00 0.00 C ATOM 987 CE1 PHE A 61 6.030 -5.094 -26.317 1.00 0.00 C ATOM 988 CE2 PHE A 61 7.191 -3.172 -25.605 1.00 0.00 C ATOM 989 CZ PHE A 61 6.414 -4.251 -25.321 1.00 0.00 C ATOM 0 H PHE A 61 5.003 -3.250 -28.987 1.00 0.00 H new ATOM 0 HA PHE A 61 6.808 -3.108 -31.351 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.418 -4.233 -29.655 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.132 -2.520 -29.427 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.135 -5.516 -28.445 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.218 -2.068 -27.166 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.413 -5.951 -26.091 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.496 -2.503 -24.814 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.102 -4.439 -24.304 1.00 0.00 H new ATOM 999 N VAL A 62 7.180 -5.826 -30.865 1.00 0.00 N ATOM 1000 CA VAL A 62 6.978 -7.242 -31.122 1.00 0.00 C ATOM 1001 C VAL A 62 7.690 -8.059 -30.043 1.00 0.00 C ATOM 1002 O VAL A 62 8.617 -7.569 -29.398 1.00 0.00 O ATOM 1003 CB VAL A 62 7.442 -7.588 -32.538 1.00 0.00 C ATOM 1004 CG1 VAL A 62 6.876 -6.597 -33.558 1.00 0.00 C ATOM 1005 CG2 VAL A 62 8.969 -7.642 -32.616 1.00 0.00 C ATOM 0 H VAL A 62 8.156 -5.528 -30.862 1.00 0.00 H new ATOM 0 HA VAL A 62 5.918 -7.492 -31.072 1.00 0.00 H new ATOM 0 HB VAL A 62 7.058 -8.578 -32.784 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.221 -6.866 -34.556 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.787 -6.628 -33.530 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.217 -5.590 -33.315 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.273 -7.890 -33.633 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.382 -6.672 -32.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.342 -8.403 -31.930 1.00 0.00 H new ATOM 1015 N LYS A 63 7.231 -9.291 -29.879 1.00 0.00 N ATOM 1016 CA LYS A 63 7.814 -10.181 -28.888 1.00 0.00 C ATOM 1017 C LYS A 63 7.901 -11.594 -29.468 1.00 0.00 C ATOM 1018 O LYS A 63 7.404 -11.852 -30.563 1.00 0.00 O ATOM 1019 CB LYS A 63 7.035 -10.102 -27.574 1.00 0.00 C ATOM 1020 CG LYS A 63 5.558 -10.441 -27.790 1.00 0.00 C ATOM 1021 CD LYS A 63 4.658 -9.516 -26.969 1.00 0.00 C ATOM 1022 CE LYS A 63 4.528 -8.144 -27.635 1.00 0.00 C ATOM 1023 NZ LYS A 63 3.609 -8.215 -28.793 1.00 0.00 N ATOM 0 H LYS A 63 6.463 -9.694 -30.415 1.00 0.00 H new ATOM 0 HA LYS A 63 8.831 -9.871 -28.648 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.468 -10.791 -26.849 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.124 -9.100 -27.154 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.311 -10.350 -28.848 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.374 -11.478 -27.508 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.671 -9.966 -26.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.068 -9.400 -25.966 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.157 -7.416 -26.913 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.508 -7.798 -27.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.385 -7.253 -29.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.063 -8.744 -29.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.732 -8.698 -28.511 1.00 0.00 H new ATOM 1037 N ILE A 64 8.537 -12.473 -28.707 1.00 0.00 N ATOM 1038 CA ILE A 64 8.696 -13.853 -29.131 1.00 0.00 C ATOM 1039 C ILE A 64 7.953 -14.770 -28.157 1.00 0.00 C ATOM 1040 O ILE A 64 8.236 -14.770 -26.960 1.00 0.00 O ATOM 1041 CB ILE A 64 10.178 -14.197 -29.290 1.00 0.00 C ATOM 1042 CG1 ILE A 64 10.410 -15.062 -30.531 1.00 0.00 C ATOM 1043 CG2 ILE A 64 10.728 -14.855 -28.023 1.00 0.00 C ATOM 1044 CD1 ILE A 64 11.845 -14.914 -31.042 1.00 0.00 C ATOM 0 H ILE A 64 8.948 -12.256 -27.799 1.00 0.00 H new ATOM 0 HA ILE A 64 8.250 -14.003 -30.114 1.00 0.00 H new ATOM 0 HB ILE A 64 10.730 -13.268 -29.436 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.211 -16.107 -30.293 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.709 -14.775 -31.315 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.783 -15.089 -28.163 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.617 -14.172 -27.181 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.176 -15.773 -27.821 1.00 0.00 H new ATOM 0 HD11 ILE A 64 11.983 -15.539 -31.924 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.033 -13.872 -31.302 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.542 -15.225 -30.264 1.00 0.00 H new ATOM 1056 N PRO A 65 6.992 -15.550 -28.721 1.00 0.00 N ATOM 1057 CA PRO A 65 6.207 -16.470 -27.916 1.00 0.00 C ATOM 1058 C PRO A 65 7.029 -17.701 -27.531 1.00 0.00 C ATOM 1059 O PRO A 65 8.258 -17.663 -27.554 1.00 0.00 O ATOM 1060 CB PRO A 65 4.997 -16.807 -28.773 1.00 0.00 C ATOM 1061 CG PRO A 65 5.378 -16.436 -30.197 1.00 0.00 C ATOM 1062 CD PRO A 65 6.630 -15.577 -30.135 1.00 0.00 C ATOM 0 HA PRO A 65 5.897 -16.038 -26.964 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.748 -17.866 -28.699 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.119 -16.250 -28.446 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.559 -17.333 -30.790 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.566 -15.893 -30.680 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.431 -16.001 -30.741 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.440 -14.573 -30.514 1.00 0.00 H new ATOM 1070 N ARG A 66 6.317 -18.764 -27.186 1.00 0.00 N ATOM 1071 CA ARG A 66 6.966 -20.005 -26.797 1.00 0.00 C ATOM 1072 C ARG A 66 7.998 -20.417 -27.848 1.00 0.00 C ATOM 1073 O ARG A 66 7.638 -20.794 -28.962 1.00 0.00 O ATOM 1074 CB ARG A 66 5.944 -21.130 -26.626 1.00 0.00 C ATOM 1075 CG ARG A 66 4.901 -20.769 -25.567 1.00 0.00 C ATOM 1076 CD ARG A 66 3.541 -20.488 -26.210 1.00 0.00 C ATOM 1077 NE ARG A 66 3.225 -19.045 -26.115 1.00 0.00 N ATOM 1078 CZ ARG A 66 2.396 -18.401 -26.947 1.00 0.00 C ATOM 1079 NH1 ARG A 66 1.795 -19.068 -27.943 1.00 0.00 N ATOM 1080 NH2 ARG A 66 2.168 -17.091 -26.785 1.00 0.00 N ATOM 0 H ARG A 66 5.298 -18.792 -27.168 1.00 0.00 H new ATOM 0 HA ARG A 66 7.464 -19.834 -25.843 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.449 -21.324 -27.578 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.455 -22.049 -26.340 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.807 -21.585 -24.851 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.232 -19.893 -25.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.552 -20.798 -27.255 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.767 -21.072 -25.713 1.00 0.00 H new ATOM 0 HE ARG A 66 3.666 -18.507 -25.369 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.969 -20.065 -28.067 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.164 -18.578 -28.577 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.626 -16.583 -26.028 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.537 -16.601 -27.419 1.00 0.00 H new ATOM 1094 N GLU A 67 9.261 -20.331 -27.456 1.00 0.00 N ATOM 1095 CA GLU A 67 10.348 -20.690 -28.351 1.00 0.00 C ATOM 1096 C GLU A 67 11.037 -21.966 -27.863 1.00 0.00 C ATOM 1097 O GLU A 67 10.919 -22.332 -26.695 1.00 0.00 O ATOM 1098 CB GLU A 67 11.350 -19.542 -28.485 1.00 0.00 C ATOM 1099 CG GLU A 67 11.281 -18.913 -29.877 1.00 0.00 C ATOM 1100 CD GLU A 67 9.835 -18.842 -30.375 1.00 0.00 C ATOM 1101 OE1 GLU A 67 9.016 -18.231 -29.655 1.00 0.00 O ATOM 1102 OE2 GLU A 67 9.583 -19.400 -31.465 1.00 0.00 O ATOM 0 H GLU A 67 9.556 -20.018 -26.531 1.00 0.00 H new ATOM 0 HA GLU A 67 9.931 -20.881 -29.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.143 -18.784 -27.729 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.358 -19.911 -28.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.710 -17.911 -29.849 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.881 -19.497 -30.574 1.00 0.00 H new ATOM 1109 N PRO A 68 11.760 -22.626 -28.808 1.00 0.00 N ATOM 1110 CA PRO A 68 12.469 -23.853 -28.486 1.00 0.00 C ATOM 1111 C PRO A 68 13.731 -23.560 -27.673 1.00 0.00 C ATOM 1112 O PRO A 68 14.842 -23.626 -28.199 1.00 0.00 O ATOM 1113 CB PRO A 68 12.764 -24.501 -29.829 1.00 0.00 C ATOM 1114 CG PRO A 68 12.625 -23.396 -30.864 1.00 0.00 C ATOM 1115 CD PRO A 68 11.923 -22.222 -30.201 1.00 0.00 C ATOM 0 HA PRO A 68 11.885 -24.523 -27.855 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.767 -24.927 -29.845 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.068 -25.315 -30.031 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.605 -23.095 -31.235 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.053 -23.747 -31.723 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.514 -21.310 -30.282 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.960 -22.020 -30.670 1.00 0.00 H new ATOM 1123 N GLY A 69 13.520 -23.243 -26.404 1.00 0.00 N ATOM 1124 CA GLY A 69 14.627 -22.940 -25.514 1.00 0.00 C ATOM 1125 C GLY A 69 14.182 -22.012 -24.381 1.00 0.00 C ATOM 1126 O GLY A 69 14.877 -21.053 -24.050 1.00 0.00 O ATOM 0 H GLY A 69 12.598 -23.189 -25.971 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.026 -23.864 -25.096 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.433 -22.471 -26.078 1.00 0.00 H new ATOM 1130 N ASN A 70 13.026 -22.331 -23.818 1.00 0.00 N ATOM 1131 CA ASN A 70 12.480 -21.538 -22.730 1.00 0.00 C ATOM 1132 C ASN A 70 12.333 -22.418 -21.487 1.00 0.00 C ATOM 1133 O ASN A 70 11.235 -22.870 -21.168 1.00 0.00 O ATOM 1134 CB ASN A 70 11.096 -20.991 -23.087 1.00 0.00 C ATOM 1135 CG ASN A 70 11.143 -20.192 -24.392 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.781 -20.572 -25.360 1.00 0.00 O ATOM 1137 ND2 ASN A 70 10.433 -19.068 -24.363 1.00 0.00 N ATOM 0 H ASN A 70 12.452 -23.128 -24.095 1.00 0.00 H new ATOM 0 HA ASN A 70 13.160 -20.707 -22.545 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.390 -21.815 -23.186 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.733 -20.355 -22.280 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.400 -18.465 -25.185 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.922 -18.809 -23.519 1.00 0.00 H new ATOM 1144 N PRO A 71 13.487 -22.641 -20.802 1.00 0.00 N ATOM 1145 CA PRO A 71 13.497 -23.459 -19.601 1.00 0.00 C ATOM 1146 C PRO A 71 12.899 -22.700 -18.415 1.00 0.00 C ATOM 1147 O PRO A 71 13.570 -22.488 -17.406 1.00 0.00 O ATOM 1148 CB PRO A 71 14.956 -23.832 -19.392 1.00 0.00 C ATOM 1149 CG PRO A 71 15.762 -22.835 -20.208 1.00 0.00 C ATOM 1150 CD PRO A 71 14.806 -22.123 -21.150 1.00 0.00 C ATOM 0 HA PRO A 71 12.880 -24.353 -19.696 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.225 -23.781 -18.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.149 -24.853 -19.721 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.258 -22.118 -19.553 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.543 -23.346 -20.771 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.854 -21.042 -21.020 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.050 -22.329 -22.192 1.00 0.00 H new ATOM 1158 N GLY A 72 11.642 -22.312 -18.575 1.00 0.00 N ATOM 1159 CA GLY A 72 10.945 -21.581 -17.530 1.00 0.00 C ATOM 1160 C GLY A 72 10.817 -20.100 -17.890 1.00 0.00 C ATOM 1161 O GLY A 72 9.710 -19.567 -17.958 1.00 0.00 O ATOM 0 H GLY A 72 11.088 -22.490 -19.413 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.954 -22.010 -17.380 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.483 -21.685 -16.588 1.00 0.00 H new ATOM 1165 N LYS A 73 11.965 -19.476 -18.110 1.00 0.00 N ATOM 1166 CA LYS A 73 11.995 -18.066 -18.461 1.00 0.00 C ATOM 1167 C LYS A 73 13.101 -17.824 -19.491 1.00 0.00 C ATOM 1168 O LYS A 73 14.032 -17.061 -19.240 1.00 0.00 O ATOM 1169 CB LYS A 73 12.127 -17.204 -17.204 1.00 0.00 C ATOM 1170 CG LYS A 73 10.755 -16.730 -16.718 1.00 0.00 C ATOM 1171 CD LYS A 73 10.615 -16.918 -15.206 1.00 0.00 C ATOM 1172 CE LYS A 73 9.208 -16.543 -14.735 1.00 0.00 C ATOM 1173 NZ LYS A 73 8.889 -17.226 -13.461 1.00 0.00 N ATOM 0 H LYS A 73 12.881 -19.921 -18.052 1.00 0.00 H new ATOM 0 HA LYS A 73 11.055 -17.769 -18.926 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.618 -17.776 -16.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.760 -16.342 -17.415 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.618 -15.679 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.971 -17.286 -17.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.826 -17.955 -14.944 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.351 -16.302 -14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.138 -15.463 -14.603 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.478 -16.819 -15.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.931 -16.961 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.936 -18.256 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.576 -16.942 -12.733 1.00 0.00 H new ATOM 1187 N GLY A 74 12.962 -18.490 -20.628 1.00 0.00 N ATOM 1188 CA GLY A 74 13.937 -18.357 -21.696 1.00 0.00 C ATOM 1189 C GLY A 74 13.281 -17.833 -22.976 1.00 0.00 C ATOM 1190 O GLY A 74 13.118 -18.576 -23.943 1.00 0.00 O ATOM 0 H GLY A 74 12.189 -19.123 -20.832 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.731 -17.678 -21.386 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.402 -19.323 -21.891 1.00 0.00 H new ATOM 1194 N ASN A 75 12.924 -16.558 -22.939 1.00 0.00 N ATOM 1195 CA ASN A 75 12.289 -15.926 -24.084 1.00 0.00 C ATOM 1196 C ASN A 75 12.926 -14.555 -24.322 1.00 0.00 C ATOM 1197 O ASN A 75 13.771 -14.116 -23.543 1.00 0.00 O ATOM 1198 CB ASN A 75 10.794 -15.717 -23.838 1.00 0.00 C ATOM 1199 CG ASN A 75 10.558 -14.674 -22.743 1.00 0.00 C ATOM 1200 OD1 ASN A 75 10.301 -14.991 -21.594 1.00 0.00 O ATOM 1201 ND2 ASN A 75 10.661 -13.416 -23.163 1.00 0.00 N ATOM 0 H ASN A 75 13.062 -15.945 -22.135 1.00 0.00 H new ATOM 0 HA ASN A 75 12.425 -16.577 -24.948 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.312 -15.396 -24.761 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.334 -16.662 -23.550 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.522 -12.647 -22.508 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.879 -13.221 -24.140 1.00 0.00 H new ATOM 1208 N TYR A 76 12.496 -13.918 -25.400 1.00 0.00 N ATOM 1209 CA TYR A 76 13.013 -12.606 -25.751 1.00 0.00 C ATOM 1210 C TYR A 76 11.970 -11.792 -26.519 1.00 0.00 C ATOM 1211 O TYR A 76 11.091 -12.357 -27.167 1.00 0.00 O ATOM 1212 CB TYR A 76 14.217 -12.857 -26.660 1.00 0.00 C ATOM 1213 CG TYR A 76 14.633 -14.326 -26.752 1.00 0.00 C ATOM 1214 CD1 TYR A 76 15.342 -14.909 -25.722 1.00 0.00 C ATOM 1215 CD2 TYR A 76 14.297 -15.070 -27.865 1.00 0.00 C ATOM 1216 CE1 TYR A 76 15.733 -16.292 -25.808 1.00 0.00 C ATOM 1217 CE2 TYR A 76 14.688 -16.453 -27.952 1.00 0.00 C ATOM 1218 CZ TYR A 76 15.387 -16.996 -26.919 1.00 0.00 C ATOM 1219 OH TYR A 76 15.756 -18.302 -27.000 1.00 0.00 O ATOM 0 H TYR A 76 11.795 -14.286 -26.043 1.00 0.00 H new ATOM 0 HA TYR A 76 13.276 -12.045 -24.854 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.986 -12.492 -27.661 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.062 -12.273 -26.296 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.604 -14.327 -24.850 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.741 -14.615 -28.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.288 -16.760 -25.008 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.432 -17.046 -28.818 1.00 0.00 H new ATOM 0 HH TYR A 76 15.440 -18.679 -27.848 1.00 0.00 H new ATOM 1229 N TRP A 77 12.101 -10.477 -26.420 1.00 0.00 N ATOM 1230 CA TRP A 77 11.180 -9.580 -27.097 1.00 0.00 C ATOM 1231 C TRP A 77 11.989 -8.718 -28.068 1.00 0.00 C ATOM 1232 O TRP A 77 13.218 -8.775 -28.079 1.00 0.00 O ATOM 1233 CB TRP A 77 10.379 -8.754 -26.089 1.00 0.00 C ATOM 1234 CG TRP A 77 9.377 -9.572 -25.271 1.00 0.00 C ATOM 1235 CD1 TRP A 77 9.463 -10.859 -24.909 1.00 0.00 C ATOM 1236 CD2 TRP A 77 8.128 -9.102 -24.723 1.00 0.00 C ATOM 1237 NE1 TRP A 77 8.365 -11.252 -24.172 1.00 0.00 N ATOM 1238 CE2 TRP A 77 7.527 -10.149 -24.055 1.00 0.00 C ATOM 1239 CE3 TRP A 77 7.525 -7.833 -24.790 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 6.293 -10.036 -23.403 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 6.292 -7.736 -24.134 1.00 0.00 C ATOM 1242 CH2 TRP A 77 5.674 -8.781 -23.457 1.00 0.00 C ATOM 0 H TRP A 77 12.831 -10.011 -25.881 1.00 0.00 H new ATOM 0 HA TRP A 77 10.440 -10.143 -27.665 1.00 0.00 H new ATOM 0 HB2 TRP A 77 11.072 -8.260 -25.407 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.842 -7.969 -26.622 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.289 -11.508 -25.162 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.199 -12.181 -23.784 1.00 0.00 H new ATOM 0 HE3 TRP A 77 7.977 -6.999 -25.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.843 -10.871 -22.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.785 -6.782 -24.155 1.00 0.00 H new ATOM 0 HH2 TRP A 77 4.720 -8.626 -22.975 1.00 0.00 H new ATOM 1253 N THR A 78 11.267 -7.938 -28.859 1.00 0.00 N ATOM 1254 CA THR A 78 11.902 -7.065 -29.832 1.00 0.00 C ATOM 1255 C THR A 78 11.149 -5.737 -29.928 1.00 0.00 C ATOM 1256 O THR A 78 9.919 -5.715 -29.921 1.00 0.00 O ATOM 1257 CB THR A 78 11.981 -7.817 -31.162 1.00 0.00 C ATOM 1258 OG1 THR A 78 12.892 -8.882 -30.906 1.00 0.00 O ATOM 1259 CG2 THR A 78 12.663 -6.997 -32.259 1.00 0.00 C ATOM 0 H THR A 78 10.248 -7.892 -28.846 1.00 0.00 H new ATOM 0 HA THR A 78 12.916 -6.806 -29.528 1.00 0.00 H new ATOM 0 HB THR A 78 10.976 -8.089 -31.485 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.000 -9.422 -31.717 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.693 -7.577 -33.181 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.103 -6.077 -32.427 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.680 -6.752 -31.951 1.00 0.00 H new ATOM 1267 N LEU A 79 11.919 -4.662 -30.015 1.00 0.00 N ATOM 1268 CA LEU A 79 11.339 -3.333 -30.112 1.00 0.00 C ATOM 1269 C LEU A 79 11.724 -2.711 -31.456 1.00 0.00 C ATOM 1270 O LEU A 79 12.599 -3.222 -32.153 1.00 0.00 O ATOM 1271 CB LEU A 79 11.741 -2.484 -28.904 1.00 0.00 C ATOM 1272 CG LEU A 79 10.843 -1.282 -28.601 1.00 0.00 C ATOM 1273 CD1 LEU A 79 10.470 -1.237 -27.118 1.00 0.00 C ATOM 1274 CD2 LEU A 79 11.496 0.021 -29.067 1.00 0.00 C ATOM 0 H LEU A 79 12.939 -4.684 -30.020 1.00 0.00 H new ATOM 0 HA LEU A 79 10.251 -3.389 -30.086 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.763 -3.127 -28.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.757 -2.123 -29.061 1.00 0.00 H new ATOM 0 HG LEU A 79 9.916 -1.397 -29.163 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.832 -0.374 -26.929 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.936 -2.149 -26.849 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.376 -1.157 -26.517 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.838 0.859 -28.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.447 0.156 -28.551 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.670 -0.023 -30.142 1.00 0.00 H new ATOM 1286 N ASP A 80 11.051 -1.616 -31.779 1.00 0.00 N ATOM 1287 CA ASP A 80 11.312 -0.919 -33.027 1.00 0.00 C ATOM 1288 C ASP A 80 12.134 0.339 -32.741 1.00 0.00 C ATOM 1289 O ASP A 80 12.149 0.833 -31.615 1.00 0.00 O ATOM 1290 CB ASP A 80 10.007 -0.488 -33.700 1.00 0.00 C ATOM 1291 CG ASP A 80 9.776 -1.070 -35.096 1.00 0.00 C ATOM 1292 OD1 ASP A 80 10.726 -1.696 -35.614 1.00 0.00 O ATOM 1293 OD2 ASP A 80 8.655 -0.876 -35.613 1.00 0.00 O ATOM 0 H ASP A 80 10.326 -1.195 -31.198 1.00 0.00 H new ATOM 0 HA ASP A 80 11.851 -1.599 -33.687 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.173 -0.777 -33.060 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.994 0.600 -33.770 1.00 0.00 H new ATOM 1298 N PRO A 81 12.817 0.834 -33.808 1.00 0.00 N ATOM 1299 CA PRO A 81 13.640 2.025 -33.683 1.00 0.00 C ATOM 1300 C PRO A 81 12.774 3.285 -33.609 1.00 0.00 C ATOM 1301 O PRO A 81 12.424 3.863 -34.636 1.00 0.00 O ATOM 1302 CB PRO A 81 14.552 2.003 -34.899 1.00 0.00 C ATOM 1303 CG PRO A 81 13.895 1.060 -35.895 1.00 0.00 C ATOM 1304 CD PRO A 81 12.823 0.276 -35.157 1.00 0.00 C ATOM 0 HA PRO A 81 14.225 2.037 -32.763 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.664 3.002 -35.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.550 1.656 -34.632 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.457 1.621 -36.720 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.634 0.384 -36.325 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.850 0.388 -35.636 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.051 -0.790 -35.143 1.00 0.00 H new ATOM 1312 N GLN A 82 12.453 3.672 -32.383 1.00 0.00 N ATOM 1313 CA GLN A 82 11.635 4.852 -32.161 1.00 0.00 C ATOM 1314 C GLN A 82 11.115 4.874 -30.722 1.00 0.00 C ATOM 1315 O GLN A 82 9.958 5.216 -30.481 1.00 0.00 O ATOM 1316 CB GLN A 82 10.480 4.915 -33.162 1.00 0.00 C ATOM 1317 CG GLN A 82 10.671 6.070 -34.147 1.00 0.00 C ATOM 1318 CD GLN A 82 9.439 6.239 -35.039 1.00 0.00 C ATOM 1319 OE1 GLN A 82 8.359 6.586 -34.590 1.00 0.00 O ATOM 1320 NE2 GLN A 82 9.661 5.976 -36.324 1.00 0.00 N ATOM 0 H GLN A 82 12.745 3.189 -31.533 1.00 0.00 H new ATOM 0 HA GLN A 82 12.255 5.735 -32.316 1.00 0.00 H new ATOM 0 HB2 GLN A 82 10.415 3.974 -33.708 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.538 5.039 -32.628 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.857 6.993 -33.599 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.549 5.884 -34.765 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.590 5.690 -36.633 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.902 6.060 -37.000 1.00 0.00 H new ATOM 1329 N SER A 83 11.995 4.505 -29.803 1.00 0.00 N ATOM 1330 CA SER A 83 11.639 4.479 -28.394 1.00 0.00 C ATOM 1331 C SER A 83 11.745 5.885 -27.801 1.00 0.00 C ATOM 1332 O SER A 83 10.783 6.395 -27.228 1.00 0.00 O ATOM 1333 CB SER A 83 12.532 3.508 -27.619 1.00 0.00 C ATOM 1334 OG SER A 83 12.256 3.529 -26.221 1.00 0.00 O ATOM 0 H SER A 83 12.954 4.222 -30.006 1.00 0.00 H new ATOM 0 HA SER A 83 10.609 4.132 -28.308 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.387 2.498 -28.002 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.578 3.765 -27.786 1.00 0.00 H new ATOM 0 HG SER A 83 13.021 3.162 -25.731 1.00 0.00 H new ATOM 1340 N GLU A 84 12.922 6.473 -27.959 1.00 0.00 N ATOM 1341 CA GLU A 84 13.165 7.811 -27.447 1.00 0.00 C ATOM 1342 C GLU A 84 12.129 8.789 -28.004 1.00 0.00 C ATOM 1343 O GLU A 84 11.805 9.788 -27.362 1.00 0.00 O ATOM 1344 CB GLU A 84 14.587 8.272 -27.773 1.00 0.00 C ATOM 1345 CG GLU A 84 15.620 7.463 -26.987 1.00 0.00 C ATOM 1346 CD GLU A 84 17.025 7.663 -27.560 1.00 0.00 C ATOM 1347 OE1 GLU A 84 17.224 7.261 -28.727 1.00 0.00 O ATOM 1348 OE2 GLU A 84 17.867 8.214 -26.819 1.00 0.00 O ATOM 0 H GLU A 84 13.718 6.047 -28.434 1.00 0.00 H new ATOM 0 HA GLU A 84 13.066 7.788 -26.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.772 8.164 -28.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.693 9.331 -27.537 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.604 7.766 -25.940 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.358 6.405 -27.017 1.00 0.00 H new ATOM 1355 N ASP A 85 11.638 8.468 -29.192 1.00 0.00 N ATOM 1356 CA ASP A 85 10.645 9.307 -29.842 1.00 0.00 C ATOM 1357 C ASP A 85 9.350 9.280 -29.029 1.00 0.00 C ATOM 1358 O ASP A 85 8.741 10.322 -28.790 1.00 0.00 O ATOM 1359 CB ASP A 85 10.330 8.796 -31.250 1.00 0.00 C ATOM 1360 CG ASP A 85 11.002 9.572 -32.384 1.00 0.00 C ATOM 1361 OD1 ASP A 85 12.044 10.203 -32.102 1.00 0.00 O ATOM 1362 OD2 ASP A 85 10.459 9.517 -33.509 1.00 0.00 O ATOM 0 H ASP A 85 11.909 7.639 -29.721 1.00 0.00 H new ATOM 0 HA ASP A 85 11.047 10.318 -29.906 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.631 7.751 -31.317 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.251 8.827 -31.399 1.00 0.00 H new ATOM 1367 N MET A 86 8.966 8.078 -28.625 1.00 0.00 N ATOM 1368 CA MET A 86 7.754 7.902 -27.844 1.00 0.00 C ATOM 1369 C MET A 86 7.776 8.783 -26.593 1.00 0.00 C ATOM 1370 O MET A 86 6.745 9.318 -26.188 1.00 0.00 O ATOM 1371 CB MET A 86 7.619 6.435 -27.433 1.00 0.00 C ATOM 1372 CG MET A 86 7.232 5.564 -28.630 1.00 0.00 C ATOM 1373 SD MET A 86 6.643 3.977 -28.065 1.00 0.00 S ATOM 1374 CE MET A 86 7.776 3.687 -26.717 1.00 0.00 C ATOM 0 H MET A 86 9.474 7.216 -28.824 1.00 0.00 H new ATOM 0 HA MET A 86 6.903 8.196 -28.458 1.00 0.00 H new ATOM 0 HB2 MET A 86 8.561 6.083 -27.012 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.866 6.340 -26.651 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.459 6.060 -29.216 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.092 5.429 -29.286 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.757 2.631 -26.446 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.785 3.965 -27.023 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.480 4.288 -25.857 1.00 0.00 H new ATOM 1384 N PHE A 87 8.962 8.905 -26.015 1.00 0.00 N ATOM 1385 CA PHE A 87 9.131 9.712 -24.818 1.00 0.00 C ATOM 1386 C PHE A 87 9.326 11.187 -25.174 1.00 0.00 C ATOM 1387 O PHE A 87 8.626 12.053 -24.651 1.00 0.00 O ATOM 1388 CB PHE A 87 10.387 9.200 -24.108 1.00 0.00 C ATOM 1389 CG PHE A 87 10.190 7.870 -23.378 1.00 0.00 C ATOM 1390 CD1 PHE A 87 9.673 6.801 -24.039 1.00 0.00 C ATOM 1391 CD2 PHE A 87 10.533 7.758 -22.066 1.00 0.00 C ATOM 1392 CE1 PHE A 87 9.490 5.567 -23.361 1.00 0.00 C ATOM 1393 CE2 PHE A 87 10.350 6.524 -21.388 1.00 0.00 C ATOM 1394 CZ PHE A 87 9.833 5.454 -22.050 1.00 0.00 C ATOM 0 H PHE A 87 9.815 8.459 -26.353 1.00 0.00 H new ATOM 0 HA PHE A 87 8.246 9.633 -24.187 1.00 0.00 H new ATOM 0 HB2 PHE A 87 11.185 9.086 -24.841 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.718 9.951 -23.391 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.401 6.890 -25.080 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.944 8.607 -21.541 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.078 4.718 -23.887 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.621 6.435 -20.346 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.695 4.515 -21.535 1.00 0.00 H new