USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 hydrogens (21 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 93 AAR HA : A 93 AAR CA : A 93 AAR N :(H bumps) USER MOD NoAdj-H: A 93 AAR H2 : A 93 AAR N : A 92 ARG C :(H bumps) USER MOD Set 1.1: A 43 ASN : amide:sc= -0.915 K(o=-4.7,f=-11!) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -3.8! C(o=-4.7!,f=-6.3!) USER MOD Set 2.1: A 52 HIS : no HE2:sc= 1.27 K(o=0.93,f=-6.7!) USER MOD Set 2.2: A 85 TYR OH : rot 172:sc= -0.345 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 10 SER OG : rot 160:sc= 0 USER MOD Single : A 11 TYR OH : rot 166:sc= -1.33 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -153:sc= -3.86! USER MOD Single : A 26 THR OG1 : rot 58:sc= 1.21 USER MOD Single : A 28 TYR OH : rot 49:sc= 1.01 USER MOD Single : A 31 TYR OH : rot 150:sc= 0.0226 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.146 F(o=-2.1!,f=-0.15) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.356 K(o=0.36,f=-5.8!) USER MOD Single : A 50 SER OG : rot -55:sc= 1.15 USER MOD Single : A 54 SER OG : rot -69:sc= 0.178! USER MOD Single : A 55 HIS :FLIP no HE2:sc= -0.36 F(o=-1,f=-0.36) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 59 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.335 F(o=-1.6!,f=-0.33) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00126 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -14:sc= -0.154 USER MOD Single : A 78 ASN : amide:sc= 1.12 K(o=1.1,f=-1.7) USER MOD Single : A 79 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.96!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.018 4.658 9.198 1.00 0.00 N HETATM 2 CA PCA A 1 3.466 3.312 9.604 1.00 0.00 C HETATM 3 CB PCA A 1 2.914 3.007 10.999 1.00 0.00 C HETATM 4 CG PCA A 1 2.257 4.281 11.425 1.00 0.00 C HETATM 5 CD PCA A 1 2.335 5.169 10.200 1.00 0.00 C HETATM 6 OE PCA A 1 1.554 6.116 10.057 1.00 0.00 O HETATM 7 C PCA A 1 2.987 2.266 8.606 1.00 0.00 C HETATM 8 O PCA A 1 1.893 2.379 8.057 1.00 0.00 O HETATM 0 H2 PCA A 1 3.353 5.359 9.890 1.00 0.00 H new HETATM 0 HA PCA A 1 4.555 3.283 9.625 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.202 2.182 10.973 1.00 0.00 H new HETATM 0 HB3 PCA A 1 3.709 2.720 11.687 1.00 0.00 H new HETATM 0 HG2 PCA A 1 1.224 4.113 11.730 1.00 0.00 H new HETATM 0 HG3 PCA A 1 2.772 4.729 12.275 1.00 0.00 H new ATOM 15 N ALA A 2 3.826 1.268 8.357 1.00 0.00 N ATOM 16 CA ALA A 2 3.472 0.147 7.505 1.00 0.00 C ATOM 17 C ALA A 2 3.797 -1.160 8.232 1.00 0.00 C ATOM 18 O ALA A 2 2.895 -1.864 8.682 1.00 0.00 O ATOM 19 CB ALA A 2 4.208 0.243 6.181 1.00 0.00 C ATOM 0 H ALA A 2 4.769 1.216 8.741 1.00 0.00 H new ATOM 0 HA ALA A 2 2.404 0.168 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.935 -0.603 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.936 1.172 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.283 0.229 6.360 1.00 0.00 H new ATOM 25 N GLN A 3 5.102 -1.425 8.387 1.00 0.00 N ATOM 26 CA GLN A 3 5.636 -2.573 9.117 1.00 0.00 C ATOM 27 C GLN A 3 5.222 -3.926 8.529 1.00 0.00 C ATOM 28 O GLN A 3 4.042 -4.197 8.308 1.00 0.00 O ATOM 29 CB GLN A 3 5.249 -2.500 10.584 1.00 0.00 C ATOM 30 CG GLN A 3 6.036 -3.468 11.434 1.00 0.00 C ATOM 31 CD GLN A 3 7.528 -3.184 11.415 1.00 0.00 C ATOM 32 OE1 GLN A 3 7.953 -2.037 11.279 1.00 0.00 O ATOM 33 NE2 GLN A 3 8.331 -4.228 11.537 1.00 0.00 N ATOM 0 H GLN A 3 5.831 -0.828 7.996 1.00 0.00 H new ATOM 0 HA GLN A 3 6.720 -2.513 9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.409 -1.486 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.185 -2.712 10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.674 -3.421 12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.859 -4.484 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.939 -5.163 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.343 -4.098 11.520 1.00 0.00 H new ATOM 42 N ALA A 4 6.226 -4.778 8.312 1.00 0.00 N ATOM 43 CA ALA A 4 6.024 -6.122 7.769 1.00 0.00 C ATOM 44 C ALA A 4 5.264 -6.068 6.450 1.00 0.00 C ATOM 45 O ALA A 4 4.092 -6.438 6.377 1.00 0.00 O ATOM 46 CB ALA A 4 5.300 -7.009 8.776 1.00 0.00 C ATOM 0 H ALA A 4 7.202 -4.555 8.508 1.00 0.00 H new ATOM 0 HA ALA A 4 7.004 -6.558 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.161 -8.003 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.893 -7.084 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.328 -6.575 9.010 1.00 0.00 H new ATOM 52 N LEU A 5 5.936 -5.600 5.408 1.00 0.00 N ATOM 53 CA LEU A 5 5.301 -5.415 4.116 1.00 0.00 C ATOM 54 C LEU A 5 5.790 -6.474 3.140 1.00 0.00 C ATOM 55 O LEU A 5 6.375 -7.481 3.544 1.00 0.00 O ATOM 56 CB LEU A 5 5.600 -4.013 3.544 1.00 0.00 C ATOM 57 CG LEU A 5 5.355 -2.820 4.478 1.00 0.00 C ATOM 58 CD1 LEU A 5 4.068 -3.015 5.263 1.00 0.00 C ATOM 59 CD2 LEU A 5 6.552 -2.591 5.399 1.00 0.00 C ATOM 0 H LEU A 5 6.922 -5.342 5.435 1.00 0.00 H new ATOM 0 HA LEU A 5 4.224 -5.511 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.643 -3.990 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.994 -3.874 2.649 1.00 0.00 H new ATOM 0 HG LEU A 5 5.240 -1.922 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.910 -2.160 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.230 -3.101 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.141 -3.924 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.352 -1.740 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.720 -3.481 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.439 -2.388 4.799 1.00 0.00 H new ATOM 71 N LEU A 6 5.535 -6.239 1.863 1.00 0.00 N ATOM 72 CA LEU A 6 6.061 -7.070 0.788 1.00 0.00 C ATOM 73 C LEU A 6 7.588 -7.148 0.867 1.00 0.00 C ATOM 74 O LEU A 6 8.233 -6.325 1.526 1.00 0.00 O ATOM 75 CB LEU A 6 5.657 -6.487 -0.578 1.00 0.00 C ATOM 76 CG LEU A 6 4.207 -6.710 -1.026 1.00 0.00 C ATOM 77 CD1 LEU A 6 3.845 -8.186 -0.979 1.00 0.00 C ATOM 78 CD2 LEU A 6 3.244 -5.889 -0.186 1.00 0.00 C ATOM 0 H LEU A 6 4.956 -5.464 1.540 1.00 0.00 H new ATOM 0 HA LEU A 6 5.644 -8.071 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.844 -5.413 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.315 -6.911 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 6 4.121 -6.374 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.812 -8.318 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.506 -8.744 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.957 -8.556 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.223 -6.066 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.334 -6.180 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.482 -4.830 -0.290 1.00 0.00 H new ATOM 90 N PRO A 7 8.193 -8.142 0.208 1.00 0.00 N ATOM 91 CA PRO A 7 9.647 -8.261 0.135 1.00 0.00 C ATOM 92 C PRO A 7 10.246 -7.179 -0.746 1.00 0.00 C ATOM 93 O PRO A 7 9.570 -6.625 -1.610 1.00 0.00 O ATOM 94 CB PRO A 7 9.878 -9.635 -0.505 1.00 0.00 C ATOM 95 CG PRO A 7 8.552 -10.313 -0.508 1.00 0.00 C ATOM 96 CD PRO A 7 7.517 -9.230 -0.505 1.00 0.00 C ATOM 0 HA PRO A 7 10.113 -8.155 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.267 -9.533 -1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.610 -10.211 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.444 -10.949 -1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.443 -10.955 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.234 -8.937 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.605 -9.543 0.004 1.00 0.00 H new ATOM 104 N ILE A 8 11.527 -6.897 -0.534 1.00 0.00 N ATOM 105 CA ILE A 8 12.227 -5.855 -1.282 1.00 0.00 C ATOM 106 C ILE A 8 12.227 -6.119 -2.781 1.00 0.00 C ATOM 107 O ILE A 8 12.357 -5.195 -3.576 1.00 0.00 O ATOM 108 CB ILE A 8 13.681 -5.651 -0.802 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.242 -6.903 -0.114 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.756 -4.450 0.118 1.00 0.00 C ATOM 111 CD1 ILE A 8 14.347 -8.109 -1.021 1.00 0.00 C ATOM 0 H ILE A 8 12.106 -7.378 0.154 1.00 0.00 H new ATOM 0 HA ILE A 8 11.667 -4.941 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 8 14.301 -5.468 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.230 -6.674 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.606 -7.154 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.784 -4.312 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.426 -3.560 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.112 -4.613 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.752 -8.952 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.358 -8.367 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.007 -7.879 -1.857 1.00 0.00 H new ATOM 123 N ALA A 9 12.071 -7.377 -3.165 1.00 0.00 N ATOM 124 CA ALA A 9 12.017 -7.728 -4.571 1.00 0.00 C ATOM 125 C ALA A 9 10.660 -7.369 -5.157 1.00 0.00 C ATOM 126 O ALA A 9 10.528 -7.159 -6.362 1.00 0.00 O ATOM 127 CB ALA A 9 12.306 -9.201 -4.770 1.00 0.00 C ATOM 0 H ALA A 9 11.980 -8.166 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 9 12.784 -7.157 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.260 -9.441 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.301 -9.431 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.566 -9.793 -4.232 1.00 0.00 H new ATOM 133 N SER A 10 9.645 -7.295 -4.302 1.00 0.00 N ATOM 134 CA SER A 10 8.317 -6.905 -4.743 1.00 0.00 C ATOM 135 C SER A 10 8.294 -5.437 -5.163 1.00 0.00 C ATOM 136 O SER A 10 7.460 -5.035 -5.973 1.00 0.00 O ATOM 137 CB SER A 10 7.291 -7.164 -3.641 1.00 0.00 C ATOM 138 OG SER A 10 5.969 -6.944 -4.100 1.00 0.00 O ATOM 0 H SER A 10 9.719 -7.499 -3.305 1.00 0.00 H new ATOM 0 HA SER A 10 8.054 -7.510 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.388 -8.190 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.496 -6.512 -2.792 1.00 0.00 H new ATOM 0 HG SER A 10 5.337 -7.408 -3.512 1.00 0.00 H new ATOM 144 N TYR A 11 9.219 -4.639 -4.631 1.00 0.00 N ATOM 145 CA TYR A 11 9.304 -3.232 -5.005 1.00 0.00 C ATOM 146 C TYR A 11 10.529 -2.991 -5.880 1.00 0.00 C ATOM 147 O TYR A 11 10.949 -1.847 -6.050 1.00 0.00 O ATOM 148 CB TYR A 11 9.427 -2.322 -3.794 1.00 0.00 C ATOM 149 CG TYR A 11 8.707 -2.787 -2.561 1.00 0.00 C ATOM 150 CD1 TYR A 11 7.377 -2.475 -2.343 1.00 0.00 C ATOM 151 CD2 TYR A 11 9.378 -3.517 -1.599 1.00 0.00 C ATOM 152 CE1 TYR A 11 6.734 -2.877 -1.196 1.00 0.00 C ATOM 153 CE2 TYR A 11 8.741 -3.931 -0.449 1.00 0.00 C ATOM 154 CZ TYR A 11 7.419 -3.601 -0.258 1.00 0.00 C ATOM 155 OH TYR A 11 6.779 -3.994 0.879 1.00 0.00 O ATOM 0 H TYR A 11 9.913 -4.941 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 11 8.383 -3.000 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.484 -2.206 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.051 -1.335 -4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.835 -1.907 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.418 -3.767 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.696 -2.623 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.273 -4.507 0.293 1.00 0.00 H new ATOM 0 HH TYR A 11 7.314 -4.675 1.337 1.00 0.00 H new ATOM 165 N ALA A 12 11.117 -4.067 -6.397 1.00 0.00 N ATOM 166 CA ALA A 12 12.340 -3.966 -7.184 1.00 0.00 C ATOM 167 C ALA A 12 12.179 -2.995 -8.354 1.00 0.00 C ATOM 168 O ALA A 12 11.434 -3.259 -9.300 1.00 0.00 O ATOM 169 CB ALA A 12 12.758 -5.337 -7.684 1.00 0.00 C ATOM 0 H ALA A 12 10.765 -5.018 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 12 13.122 -3.572 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.673 -5.247 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.935 -5.996 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.967 -5.754 -8.307 1.00 0.00 H new ATOM 175 N GLY A 13 12.880 -1.870 -8.266 1.00 0.00 N ATOM 176 CA GLY A 13 12.799 -0.836 -9.279 1.00 0.00 C ATOM 177 C GLY A 13 11.425 -0.215 -9.345 1.00 0.00 C ATOM 178 O GLY A 13 10.915 0.078 -10.428 1.00 0.00 O ATOM 0 H GLY A 13 13.514 -1.655 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.537 -0.062 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.052 -1.260 -10.251 1.00 0.00 H new ATOM 182 N LEU A 14 10.828 -0.021 -8.183 1.00 0.00 N ATOM 183 CA LEU A 14 9.479 0.512 -8.093 1.00 0.00 C ATOM 184 C LEU A 14 9.411 1.631 -7.070 1.00 0.00 C ATOM 185 O LEU A 14 10.239 1.710 -6.163 1.00 0.00 O ATOM 186 CB LEU A 14 8.505 -0.603 -7.719 1.00 0.00 C ATOM 187 CG LEU A 14 8.437 -1.754 -8.721 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.592 -2.889 -8.177 1.00 0.00 C ATOM 189 CD2 LEU A 14 7.891 -1.274 -10.056 1.00 0.00 C ATOM 0 H LEU A 14 11.259 -0.226 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 14 9.201 0.920 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.788 -1.003 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.509 -0.175 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 14 9.449 -2.126 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.557 -3.698 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.030 -3.256 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.581 -2.530 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.851 -2.110 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.888 -0.871 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.542 -0.497 -10.457 1.00 0.00 H new ATOM 201 N THR A 15 8.419 2.489 -7.218 1.00 0.00 N ATOM 202 CA THR A 15 8.273 3.639 -6.350 1.00 0.00 C ATOM 203 C THR A 15 7.184 3.385 -5.307 1.00 0.00 C ATOM 204 O THR A 15 6.014 3.199 -5.644 1.00 0.00 O ATOM 205 CB THR A 15 7.923 4.890 -7.177 1.00 0.00 C ATOM 206 OG1 THR A 15 8.573 4.833 -8.456 1.00 0.00 O ATOM 207 CG2 THR A 15 8.355 6.159 -6.464 1.00 0.00 C ATOM 0 H THR A 15 7.699 2.409 -7.936 1.00 0.00 H new ATOM 0 HA THR A 15 9.220 3.806 -5.837 1.00 0.00 H new ATOM 0 HB THR A 15 6.841 4.908 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.343 5.632 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.094 7.025 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.848 6.226 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.433 6.138 -6.305 1.00 0.00 H new ATOM 215 N VAL A 16 7.576 3.356 -4.044 1.00 0.00 N ATOM 216 CA VAL A 16 6.646 3.104 -2.951 1.00 0.00 C ATOM 217 C VAL A 16 6.414 4.375 -2.152 1.00 0.00 C ATOM 218 O VAL A 16 7.212 5.308 -2.207 1.00 0.00 O ATOM 219 CB VAL A 16 7.156 1.988 -2.024 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.367 0.714 -2.820 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.435 2.400 -1.319 1.00 0.00 C ATOM 0 H VAL A 16 8.540 3.505 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 16 5.703 2.776 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 16 6.403 1.806 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.728 -0.073 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.423 0.405 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.101 0.893 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.770 1.590 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.205 2.615 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.249 3.291 -0.719 1.00 0.00 H new ATOM 231 N SER A 17 5.308 4.419 -1.433 1.00 0.00 N ATOM 232 CA SER A 17 4.960 5.595 -0.659 1.00 0.00 C ATOM 233 C SER A 17 5.841 5.702 0.579 1.00 0.00 C ATOM 234 O SER A 17 6.421 4.707 1.002 1.00 0.00 O ATOM 235 CB SER A 17 3.482 5.563 -0.268 1.00 0.00 C ATOM 236 OG SER A 17 3.077 6.795 0.295 1.00 0.00 O ATOM 0 H SER A 17 4.636 3.654 -1.369 1.00 0.00 H new ATOM 0 HA SER A 17 5.131 6.476 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.875 5.344 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.309 4.759 0.447 1.00 0.00 H new ATOM 0 HG SER A 17 2.324 6.645 0.904 1.00 0.00 H new ATOM 242 N ALA A 18 5.947 6.893 1.154 1.00 0.00 N ATOM 243 CA ALA A 18 6.780 7.102 2.337 1.00 0.00 C ATOM 244 C ALA A 18 6.437 6.115 3.467 1.00 0.00 C ATOM 245 O ALA A 18 7.342 5.518 4.044 1.00 0.00 O ATOM 246 CB ALA A 18 6.674 8.535 2.828 1.00 0.00 C ATOM 0 H ALA A 18 5.468 7.730 0.823 1.00 0.00 H new ATOM 0 HA ALA A 18 7.811 6.911 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.303 8.665 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.005 9.214 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.638 8.756 3.086 1.00 0.00 H new ATOM 252 N PRO A 19 5.135 5.915 3.797 1.00 0.00 N ATOM 253 CA PRO A 19 4.719 4.954 4.828 1.00 0.00 C ATOM 254 C PRO A 19 5.361 3.578 4.651 1.00 0.00 C ATOM 255 O PRO A 19 5.859 2.987 5.609 1.00 0.00 O ATOM 256 CB PRO A 19 3.208 4.851 4.632 1.00 0.00 C ATOM 257 CG PRO A 19 2.809 6.157 4.047 1.00 0.00 C ATOM 258 CD PRO A 19 3.973 6.625 3.223 1.00 0.00 C ATOM 0 HA PRO A 19 5.020 5.284 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.951 4.026 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.698 4.670 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.916 6.050 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.573 6.877 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.838 6.381 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.096 7.706 3.286 1.00 0.00 H new ATOM 266 N VAL A 20 5.368 3.091 3.417 1.00 0.00 N ATOM 267 CA VAL A 20 5.900 1.773 3.108 1.00 0.00 C ATOM 268 C VAL A 20 7.416 1.841 2.941 1.00 0.00 C ATOM 269 O VAL A 20 8.134 0.943 3.366 1.00 0.00 O ATOM 270 CB VAL A 20 5.208 1.168 1.847 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.635 2.256 0.957 1.00 0.00 C ATOM 272 CG2 VAL A 20 6.156 0.285 1.035 1.00 0.00 C ATOM 0 H VAL A 20 5.007 3.596 2.608 1.00 0.00 H new ATOM 0 HA VAL A 20 5.682 1.107 3.943 1.00 0.00 H new ATOM 0 HB VAL A 20 4.394 0.543 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.160 1.802 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.896 2.831 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.437 2.917 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.629 -0.113 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.008 0.877 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.507 -0.539 1.656 1.00 0.00 H new ATOM 282 N PHE A 21 7.884 2.935 2.361 1.00 0.00 N ATOM 283 CA PHE A 21 9.305 3.191 2.178 1.00 0.00 C ATOM 284 C PHE A 21 10.032 3.208 3.521 1.00 0.00 C ATOM 285 O PHE A 21 10.983 2.460 3.736 1.00 0.00 O ATOM 286 CB PHE A 21 9.485 4.535 1.480 1.00 0.00 C ATOM 287 CG PHE A 21 10.871 4.764 0.976 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.843 5.293 1.802 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.202 4.440 -0.324 1.00 0.00 C ATOM 290 CE1 PHE A 21 13.127 5.492 1.340 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.480 4.638 -0.797 1.00 0.00 C ATOM 292 CZ PHE A 21 13.448 5.162 0.036 1.00 0.00 C ATOM 0 H PHE A 21 7.284 3.677 2.001 1.00 0.00 H new ATOM 0 HA PHE A 21 9.730 2.394 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.788 4.597 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.223 5.334 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.595 5.554 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.449 4.026 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.880 5.905 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.725 4.384 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.453 5.314 -0.330 1.00 0.00 H new ATOM 302 N ALA A 22 9.565 4.062 4.424 1.00 0.00 N ATOM 303 CA ALA A 22 10.178 4.216 5.736 1.00 0.00 C ATOM 304 C ALA A 22 10.098 2.923 6.534 1.00 0.00 C ATOM 305 O ALA A 22 11.015 2.588 7.285 1.00 0.00 O ATOM 306 CB ALA A 22 9.515 5.350 6.502 1.00 0.00 C ATOM 0 H ALA A 22 8.756 4.663 4.268 1.00 0.00 H new ATOM 0 HA ALA A 22 11.230 4.459 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.985 5.452 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.629 6.280 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.455 5.132 6.630 1.00 0.00 H new ATOM 312 N ALA A 23 9.008 2.189 6.356 1.00 0.00 N ATOM 313 CA ALA A 23 8.825 0.930 7.040 1.00 0.00 C ATOM 314 C ALA A 23 9.756 -0.108 6.455 1.00 0.00 C ATOM 315 O ALA A 23 10.323 -0.924 7.170 1.00 0.00 O ATOM 316 CB ALA A 23 7.390 0.488 6.919 1.00 0.00 C ATOM 0 H ALA A 23 8.238 2.451 5.740 1.00 0.00 H new ATOM 0 HA ALA A 23 9.061 1.052 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.257 -0.462 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.739 1.239 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.134 0.367 5.866 1.00 0.00 H new ATOM 322 N LEU A 24 9.910 -0.057 5.146 1.00 0.00 N ATOM 323 CA LEU A 24 10.868 -0.881 4.440 1.00 0.00 C ATOM 324 C LEU A 24 12.267 -0.621 4.967 1.00 0.00 C ATOM 325 O LEU A 24 12.997 -1.545 5.275 1.00 0.00 O ATOM 326 CB LEU A 24 10.813 -0.553 2.961 1.00 0.00 C ATOM 327 CG LEU A 24 10.193 -1.606 2.050 1.00 0.00 C ATOM 328 CD1 LEU A 24 9.034 -2.315 2.725 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.732 -0.932 0.774 1.00 0.00 C ATOM 0 H LEU A 24 9.370 0.561 4.540 1.00 0.00 H new ATOM 0 HA LEU A 24 10.622 -1.932 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.254 0.375 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.829 -0.361 2.617 1.00 0.00 H new ATOM 0 HG LEU A 24 10.943 -2.364 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.617 -3.058 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.387 -2.808 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.264 -1.588 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.286 -1.674 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.993 -0.167 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.585 -0.469 0.278 1.00 0.00 H new ATOM 341 N VAL A 25 12.629 0.647 5.077 1.00 0.00 N ATOM 342 CA VAL A 25 13.911 1.033 5.661 1.00 0.00 C ATOM 343 C VAL A 25 14.012 0.534 7.103 1.00 0.00 C ATOM 344 O VAL A 25 15.097 0.269 7.621 1.00 0.00 O ATOM 345 CB VAL A 25 14.115 2.564 5.632 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.436 2.943 6.281 1.00 0.00 C ATOM 347 CG2 VAL A 25 14.060 3.082 4.205 1.00 0.00 C ATOM 0 H VAL A 25 12.054 1.431 4.770 1.00 0.00 H new ATOM 0 HA VAL A 25 14.693 0.572 5.058 1.00 0.00 H new ATOM 0 HB VAL A 25 13.308 3.026 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.559 4.026 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.442 2.607 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.256 2.469 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.206 4.162 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.846 2.609 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.089 2.847 3.770 1.00 0.00 H new ATOM 357 N THR A 26 12.863 0.380 7.728 1.00 0.00 N ATOM 358 CA THR A 26 12.792 -0.098 9.098 1.00 0.00 C ATOM 359 C THR A 26 13.176 -1.581 9.190 1.00 0.00 C ATOM 360 O THR A 26 13.805 -2.012 10.159 1.00 0.00 O ATOM 361 CB THR A 26 11.373 0.114 9.673 1.00 0.00 C ATOM 362 OG1 THR A 26 11.065 1.515 9.717 1.00 0.00 O ATOM 363 CG2 THR A 26 11.242 -0.489 11.060 1.00 0.00 C ATOM 0 H THR A 26 11.956 0.580 7.306 1.00 0.00 H new ATOM 0 HA THR A 26 13.505 0.478 9.687 1.00 0.00 H new ATOM 0 HB THR A 26 10.665 -0.393 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.135 1.894 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.232 -0.322 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.439 -1.560 11.011 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.961 -0.018 11.731 1.00 0.00 H new ATOM 371 N VAL A 27 12.814 -2.355 8.175 1.00 0.00 N ATOM 372 CA VAL A 27 13.066 -3.789 8.185 1.00 0.00 C ATOM 373 C VAL A 27 14.194 -4.170 7.215 1.00 0.00 C ATOM 374 O VAL A 27 15.153 -4.841 7.597 1.00 0.00 O ATOM 375 CB VAL A 27 11.765 -4.582 7.873 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.836 -3.785 6.974 1.00 0.00 C ATOM 377 CG2 VAL A 27 12.072 -5.911 7.218 1.00 0.00 C ATOM 0 H VAL A 27 12.346 -2.014 7.336 1.00 0.00 H new ATOM 0 HA VAL A 27 13.395 -4.060 9.188 1.00 0.00 H new ATOM 0 HB VAL A 27 11.270 -4.763 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.936 -4.366 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.564 -2.852 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.341 -3.564 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.141 -6.440 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.606 -5.741 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.691 -6.511 7.885 1.00 0.00 H new ATOM 387 N TYR A 28 14.084 -3.716 5.979 1.00 0.00 N ATOM 388 CA TYR A 28 15.062 -4.022 4.942 1.00 0.00 C ATOM 389 C TYR A 28 16.199 -3.005 4.956 1.00 0.00 C ATOM 390 O TYR A 28 17.336 -3.300 4.573 1.00 0.00 O ATOM 391 CB TYR A 28 14.374 -4.013 3.575 1.00 0.00 C ATOM 392 CG TYR A 28 13.170 -4.923 3.513 1.00 0.00 C ATOM 393 CD1 TYR A 28 11.889 -4.400 3.578 1.00 0.00 C ATOM 394 CD2 TYR A 28 13.313 -6.300 3.407 1.00 0.00 C ATOM 395 CE1 TYR A 28 10.781 -5.219 3.538 1.00 0.00 C ATOM 396 CE2 TYR A 28 12.208 -7.128 3.363 1.00 0.00 C ATOM 397 CZ TYR A 28 10.944 -6.582 3.430 1.00 0.00 C ATOM 398 OH TYR A 28 9.838 -7.402 3.393 1.00 0.00 O ATOM 0 H TYR A 28 13.315 -3.125 5.663 1.00 0.00 H new ATOM 0 HA TYR A 28 15.482 -5.009 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.066 -2.995 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.091 -4.316 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.756 -3.331 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.302 -6.730 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.790 -4.794 3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.334 -8.197 3.277 1.00 0.00 H new ATOM 0 HH TYR A 28 9.196 -7.056 2.738 1.00 0.00 H new ATOM 408 N GLY A 29 15.881 -1.800 5.399 1.00 0.00 N ATOM 409 CA GLY A 29 16.863 -0.746 5.440 1.00 0.00 C ATOM 410 C GLY A 29 16.906 0.024 4.144 1.00 0.00 C ATOM 411 O GLY A 29 16.427 -0.454 3.114 1.00 0.00 O ATOM 0 H GLY A 29 14.954 -1.535 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.634 -0.066 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.846 -1.171 5.644 1.00 0.00 H new ATOM 415 N ALA A 30 17.469 1.218 4.189 1.00 0.00 N ATOM 416 CA ALA A 30 17.638 2.019 2.991 1.00 0.00 C ATOM 417 C ALA A 30 18.668 1.360 2.094 1.00 0.00 C ATOM 418 O ALA A 30 18.662 1.539 0.882 1.00 0.00 O ATOM 419 CB ALA A 30 18.058 3.435 3.346 1.00 0.00 C ATOM 0 H ALA A 30 17.817 1.654 5.043 1.00 0.00 H new ATOM 0 HA ALA A 30 16.687 2.081 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.179 4.018 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.293 3.895 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.003 3.409 3.888 1.00 0.00 H new ATOM 425 N TYR A 31 19.545 0.589 2.723 1.00 0.00 N ATOM 426 CA TYR A 31 20.551 -0.191 2.032 1.00 0.00 C ATOM 427 C TYR A 31 19.906 -1.181 1.065 1.00 0.00 C ATOM 428 O TYR A 31 20.193 -1.162 -0.132 1.00 0.00 O ATOM 429 CB TYR A 31 21.388 -0.932 3.071 1.00 0.00 C ATOM 430 CG TYR A 31 22.694 -1.456 2.546 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.656 -0.587 2.066 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.969 -2.811 2.547 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.869 -1.055 1.596 1.00 0.00 C ATOM 434 CE2 TYR A 31 24.175 -3.291 2.079 1.00 0.00 C ATOM 435 CZ TYR A 31 25.122 -2.409 1.604 1.00 0.00 C ATOM 436 OH TYR A 31 26.328 -2.886 1.142 1.00 0.00 O ATOM 0 H TYR A 31 19.574 0.490 3.738 1.00 0.00 H new ATOM 0 HA TYR A 31 21.186 0.474 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.588 -0.261 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.806 -1.766 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.457 0.474 2.058 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.229 -3.504 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 31 25.612 -0.365 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.376 -4.352 2.085 1.00 0.00 H new ATOM 0 HH TYR A 31 26.558 -3.711 1.618 1.00 0.00 H new ATOM 446 N ALA A 32 19.028 -2.040 1.581 1.00 0.00 N ATOM 447 CA ALA A 32 18.341 -3.008 0.746 1.00 0.00 C ATOM 448 C ALA A 32 17.431 -2.309 -0.251 1.00 0.00 C ATOM 449 O ALA A 32 17.364 -2.697 -1.412 1.00 0.00 O ATOM 450 CB ALA A 32 17.546 -3.986 1.593 1.00 0.00 C ATOM 0 H ALA A 32 18.780 -2.081 2.570 1.00 0.00 H new ATOM 0 HA ALA A 32 19.094 -3.568 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.040 -4.701 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.220 -4.518 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.806 -3.441 2.179 1.00 0.00 H new ATOM 456 N LEU A 33 16.744 -1.265 0.195 1.00 0.00 N ATOM 457 CA LEU A 33 15.868 -0.510 -0.687 1.00 0.00 C ATOM 458 C LEU A 33 16.650 0.124 -1.833 1.00 0.00 C ATOM 459 O LEU A 33 16.182 0.163 -2.968 1.00 0.00 O ATOM 460 CB LEU A 33 15.113 0.557 0.103 1.00 0.00 C ATOM 461 CG LEU A 33 13.676 0.196 0.444 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.619 -1.103 1.228 1.00 0.00 C ATOM 463 CD2 LEU A 33 13.039 1.320 1.231 1.00 0.00 C ATOM 0 H LEU A 33 16.777 -0.925 1.156 1.00 0.00 H new ATOM 0 HA LEU A 33 15.146 -1.202 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.653 0.755 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.114 1.484 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 33 13.121 0.053 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.581 -1.342 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.051 -1.907 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.183 -0.994 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.009 1.057 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.598 1.482 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.050 2.233 0.635 1.00 0.00 H new ATOM 475 N TYR A 34 17.853 0.586 -1.535 1.00 0.00 N ATOM 476 CA TYR A 34 18.727 1.143 -2.548 1.00 0.00 C ATOM 477 C TYR A 34 19.173 0.038 -3.488 1.00 0.00 C ATOM 478 O TYR A 34 19.265 0.227 -4.700 1.00 0.00 O ATOM 479 CB TYR A 34 19.940 1.810 -1.887 1.00 0.00 C ATOM 480 CG TYR A 34 21.132 1.963 -2.801 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.215 3.018 -3.701 1.00 0.00 C ATOM 482 CD2 TYR A 34 22.172 1.041 -2.766 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.302 3.149 -4.543 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.263 1.167 -3.604 1.00 0.00 C ATOM 485 CZ TYR A 34 23.321 2.222 -4.492 1.00 0.00 C ATOM 486 OH TYR A 34 24.404 2.352 -5.334 1.00 0.00 O ATOM 0 H TYR A 34 18.246 0.585 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 34 18.189 1.900 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.646 2.794 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.235 1.223 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.418 3.746 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.126 0.214 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.353 3.974 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 34 24.065 0.445 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 34 25.034 1.619 -5.172 1.00 0.00 H new ATOM 496 N ARG A 35 19.415 -1.127 -2.909 1.00 0.00 N ATOM 497 CA ARG A 35 19.887 -2.273 -3.658 1.00 0.00 C ATOM 498 C ARG A 35 18.875 -2.710 -4.703 1.00 0.00 C ATOM 499 O ARG A 35 19.237 -3.081 -5.818 1.00 0.00 O ATOM 500 CB ARG A 35 20.187 -3.427 -2.709 1.00 0.00 C ATOM 501 CG ARG A 35 21.571 -3.372 -2.107 1.00 0.00 C ATOM 502 CD ARG A 35 21.880 -4.641 -1.341 1.00 0.00 C ATOM 503 NE ARG A 35 23.255 -4.657 -0.845 1.00 0.00 N ATOM 504 CZ ARG A 35 23.878 -5.748 -0.401 1.00 0.00 C ATOM 505 NH1 ARG A 35 23.249 -6.917 -0.378 1.00 0.00 N ATOM 506 NH2 ARG A 35 25.136 -5.668 0.016 1.00 0.00 N ATOM 0 H ARG A 35 19.290 -1.301 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 35 20.800 -1.982 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.450 -3.426 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.071 -4.368 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.309 -3.230 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.648 -2.513 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.190 -4.736 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.717 -5.504 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 35 23.770 -3.777 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.284 -6.983 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.731 -7.749 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.624 -4.772 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.615 -6.502 0.356 1.00 0.00 H new ATOM 520 N TYR A 36 17.607 -2.657 -4.342 1.00 0.00 N ATOM 521 CA TYR A 36 16.545 -3.106 -5.231 1.00 0.00 C ATOM 522 C TYR A 36 15.908 -1.954 -5.990 1.00 0.00 C ATOM 523 O TYR A 36 14.835 -2.106 -6.558 1.00 0.00 O ATOM 524 CB TYR A 36 15.487 -3.868 -4.438 1.00 0.00 C ATOM 525 CG TYR A 36 16.005 -5.179 -3.912 1.00 0.00 C ATOM 526 CD1 TYR A 36 15.722 -6.371 -4.556 1.00 0.00 C ATOM 527 CD2 TYR A 36 16.800 -5.217 -2.781 1.00 0.00 C ATOM 528 CE1 TYR A 36 16.219 -7.571 -4.082 1.00 0.00 C ATOM 529 CE2 TYR A 36 17.300 -6.402 -2.298 1.00 0.00 C ATOM 530 CZ TYR A 36 17.009 -7.580 -2.952 1.00 0.00 C ATOM 531 OH TYR A 36 17.506 -8.770 -2.471 1.00 0.00 O ATOM 0 H TYR A 36 17.284 -2.308 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 36 16.994 -3.770 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.147 -3.253 -3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.621 -4.050 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 36 15.104 -6.364 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 36 17.033 -4.296 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.990 -8.494 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 36 17.917 -6.411 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 36 18.044 -8.600 -1.670 1.00 0.00 H new ATOM 541 N ASN A 37 16.586 -0.806 -5.994 1.00 0.00 N ATOM 542 CA ASN A 37 16.114 0.390 -6.700 1.00 0.00 C ATOM 543 C ASN A 37 14.684 0.728 -6.276 1.00 0.00 C ATOM 544 O ASN A 37 13.816 1.026 -7.098 1.00 0.00 O ATOM 545 CB ASN A 37 16.190 0.188 -8.223 1.00 0.00 C ATOM 546 CG ASN A 37 16.170 1.495 -9.001 1.00 0.00 C ATOM 547 OD1 ASN A 37 14.986 1.978 -9.330 1.00 0.00 O flip ATOM 548 ND2 ASN A 37 17.216 2.067 -9.305 1.00 0.00 N flip ATOM 0 H ASN A 37 17.475 -0.677 -5.510 1.00 0.00 H new ATOM 0 HA ASN A 37 16.763 1.225 -6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.101 -0.358 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.352 -0.431 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.114 1.666 -9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.185 2.943 -9.827 1.00 0.00 H new ATOM 555 N ILE A 38 14.438 0.652 -4.984 1.00 0.00 N ATOM 556 CA ILE A 38 13.137 0.981 -4.445 1.00 0.00 C ATOM 557 C ILE A 38 13.065 2.467 -4.156 1.00 0.00 C ATOM 558 O ILE A 38 13.894 3.013 -3.428 1.00 0.00 O ATOM 559 CB ILE A 38 12.841 0.170 -3.174 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.927 -1.325 -3.489 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.471 0.526 -2.619 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.723 -2.215 -2.291 1.00 0.00 C ATOM 0 H ILE A 38 15.125 0.364 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 38 12.380 0.723 -5.186 1.00 0.00 H new ATOM 0 HB ILE A 38 13.583 0.415 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.179 -1.571 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.903 -1.539 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.280 -0.059 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.442 1.588 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.708 0.304 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.799 -3.259 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.486 -1.999 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.736 -2.032 -1.866 1.00 0.00 H new ATOM 574 N ARG A 39 12.085 3.119 -4.753 1.00 0.00 N ATOM 575 CA ARG A 39 12.003 4.568 -4.718 1.00 0.00 C ATOM 576 C ARG A 39 10.865 5.017 -3.820 1.00 0.00 C ATOM 577 O ARG A 39 10.098 4.198 -3.319 1.00 0.00 O ATOM 578 CB ARG A 39 11.777 5.132 -6.119 1.00 0.00 C ATOM 579 CG ARG A 39 12.639 4.524 -7.210 1.00 0.00 C ATOM 580 CD ARG A 39 14.088 4.339 -6.788 1.00 0.00 C ATOM 581 NE ARG A 39 14.672 5.575 -6.273 1.00 0.00 N ATOM 582 CZ ARG A 39 15.642 5.620 -5.359 1.00 0.00 C ATOM 583 NH1 ARG A 39 16.128 4.499 -4.841 1.00 0.00 N ATOM 584 NH2 ARG A 39 16.119 6.789 -4.952 1.00 0.00 N ATOM 0 H ARG A 39 11.331 2.666 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 39 12.948 4.942 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.730 4.990 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.957 6.207 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.224 3.558 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.602 5.162 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.146 3.565 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.672 3.990 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 39 14.315 6.459 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.760 3.597 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.870 4.540 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.744 7.655 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.861 6.822 -4.253 1.00 0.00 H new ATOM 598 N ARG A 40 10.738 6.322 -3.653 1.00 0.00 N ATOM 599 CA ARG A 40 9.732 6.882 -2.761 1.00 0.00 C ATOM 600 C ARG A 40 8.871 7.906 -3.488 1.00 0.00 C ATOM 601 O ARG A 40 9.384 8.795 -4.167 1.00 0.00 O ATOM 602 CB ARG A 40 10.391 7.535 -1.548 1.00 0.00 C ATOM 603 CG ARG A 40 9.432 7.771 -0.393 1.00 0.00 C ATOM 604 CD ARG A 40 10.136 8.392 0.799 1.00 0.00 C ATOM 605 NE ARG A 40 10.479 9.790 0.562 1.00 0.00 N ATOM 606 CZ ARG A 40 11.160 10.547 1.420 1.00 0.00 C ATOM 607 NH1 ARG A 40 11.534 10.054 2.592 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.453 11.803 1.112 1.00 0.00 N ATOM 0 H ARG A 40 11.319 7.016 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 40 9.096 6.064 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.211 6.904 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.826 8.488 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.622 8.424 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.979 6.825 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.495 8.320 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.043 7.828 1.019 1.00 0.00 H new ATOM 0 HE ARG A 40 10.178 10.214 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.300 9.092 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.056 10.636 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.157 12.191 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.975 12.381 1.771 1.00 0.00 H new ATOM 622 N ARG A 41 7.563 7.773 -3.337 1.00 0.00 N ATOM 623 CA ARG A 41 6.622 8.681 -3.992 1.00 0.00 C ATOM 624 C ARG A 41 5.608 9.246 -3.011 1.00 0.00 C ATOM 625 O ARG A 41 5.395 8.698 -1.928 1.00 0.00 O ATOM 626 CB ARG A 41 5.865 7.976 -5.120 1.00 0.00 C ATOM 627 CG ARG A 41 5.178 6.686 -4.699 1.00 0.00 C ATOM 628 CD ARG A 41 4.163 6.227 -5.735 1.00 0.00 C ATOM 629 NE ARG A 41 4.670 6.348 -7.105 1.00 0.00 N ATOM 630 CZ ARG A 41 4.644 5.366 -8.008 1.00 0.00 C ATOM 631 NH1 ARG A 41 4.179 4.163 -7.685 1.00 0.00 N ATOM 632 NH2 ARG A 41 5.095 5.581 -9.234 1.00 0.00 N ATOM 0 H ARG A 41 7.125 7.048 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 41 7.218 9.497 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.116 8.659 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.562 7.756 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.926 5.907 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.679 6.835 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.893 5.189 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.252 6.817 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 41 5.070 7.243 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.838 3.985 -6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.163 3.418 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.463 6.498 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.075 4.830 -9.924 1.00 0.00 H new ATOM 646 N GLU A 42 4.987 10.349 -3.411 1.00 0.00 N ATOM 647 CA GLU A 42 3.880 10.929 -2.668 1.00 0.00 C ATOM 648 C GLU A 42 2.627 10.131 -2.894 1.00 0.00 C ATOM 649 O GLU A 42 2.442 9.557 -3.966 1.00 0.00 O ATOM 650 CB GLU A 42 3.618 12.358 -3.102 1.00 0.00 C ATOM 651 CG GLU A 42 4.674 13.323 -2.636 1.00 0.00 C ATOM 652 CD GLU A 42 4.908 13.265 -1.142 1.00 0.00 C ATOM 653 OE1 GLU A 42 5.929 12.681 -0.718 1.00 0.00 O ATOM 654 OE2 GLU A 42 4.070 13.798 -0.385 1.00 0.00 O ATOM 0 H GLU A 42 5.237 10.863 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 42 4.153 10.915 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.556 12.395 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.649 12.676 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.609 13.108 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.381 14.336 -2.914 1.00 0.00 H new ATOM 661 N ASN A 43 1.757 10.137 -1.909 1.00 0.00 N ATOM 662 CA ASN A 43 0.546 9.333 -1.951 1.00 0.00 C ATOM 663 C ASN A 43 -0.590 9.994 -1.190 1.00 0.00 C ATOM 664 O ASN A 43 -0.771 9.756 0.001 1.00 0.00 O ATOM 665 CB ASN A 43 0.801 7.944 -1.363 1.00 0.00 C ATOM 666 CG ASN A 43 0.946 6.853 -2.405 1.00 0.00 C ATOM 667 OD1 ASN A 43 0.575 5.708 -2.161 1.00 0.00 O ATOM 668 ND2 ASN A 43 1.511 7.183 -3.556 1.00 0.00 N ATOM 0 H ASN A 43 1.863 10.693 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 43 0.258 9.241 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.707 7.977 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.020 7.687 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.651 6.475 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.806 8.145 -3.722 1.00 0.00 H new ATOM 675 N SER A 44 -1.346 10.834 -1.876 1.00 0.00 N ATOM 676 CA SER A 44 -2.580 11.361 -1.337 1.00 0.00 C ATOM 677 C SER A 44 -3.719 10.397 -1.653 1.00 0.00 C ATOM 678 O SER A 44 -4.890 10.663 -1.371 1.00 0.00 O ATOM 679 CB SER A 44 -2.850 12.731 -1.948 1.00 0.00 C ATOM 680 OG SER A 44 -1.811 13.645 -1.632 1.00 0.00 O ATOM 0 H SER A 44 -1.121 11.165 -2.814 1.00 0.00 H new ATOM 0 HA SER A 44 -2.502 11.469 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.941 12.639 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.801 13.116 -1.580 1.00 0.00 H new ATOM 0 HG SER A 44 -2.007 14.516 -2.037 1.00 0.00 H new ATOM 686 N TYR A 45 -3.342 9.268 -2.234 1.00 0.00 N ATOM 687 CA TYR A 45 -4.282 8.276 -2.712 1.00 0.00 C ATOM 688 C TYR A 45 -3.709 6.878 -2.512 1.00 0.00 C ATOM 689 O TYR A 45 -2.703 6.711 -1.820 1.00 0.00 O ATOM 690 CB TYR A 45 -4.570 8.524 -4.194 1.00 0.00 C ATOM 691 CG TYR A 45 -3.350 8.392 -5.077 1.00 0.00 C ATOM 692 CD1 TYR A 45 -2.358 9.365 -5.073 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.194 7.294 -5.909 1.00 0.00 C ATOM 694 CE1 TYR A 45 -1.242 9.253 -5.873 1.00 0.00 C ATOM 695 CE2 TYR A 45 -2.078 7.171 -6.715 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.106 8.152 -6.696 1.00 0.00 C ATOM 697 OH TYR A 45 0.004 8.032 -7.502 1.00 0.00 O ATOM 0 H TYR A 45 -2.365 9.016 -2.386 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.212 8.354 -2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.330 7.819 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.988 9.524 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.464 10.226 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.953 6.526 -5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.481 10.019 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.966 6.310 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.054 7.200 -8.017 1.00 0.00 H new ATOM 707 N GLN A 46 -4.339 5.893 -3.128 1.00 0.00 N ATOM 708 CA GLN A 46 -3.911 4.510 -2.997 1.00 0.00 C ATOM 709 C GLN A 46 -2.813 4.172 -4.012 1.00 0.00 C ATOM 710 O GLN A 46 -2.935 4.457 -5.202 1.00 0.00 O ATOM 711 CB GLN A 46 -5.111 3.564 -3.167 1.00 0.00 C ATOM 712 CG GLN A 46 -5.541 3.315 -4.615 1.00 0.00 C ATOM 713 CD GLN A 46 -6.040 4.557 -5.331 1.00 0.00 C ATOM 714 OE1 GLN A 46 -6.597 5.464 -4.719 1.00 0.00 O ATOM 715 NE2 GLN A 46 -5.837 4.602 -6.635 1.00 0.00 N ATOM 0 H GLN A 46 -5.154 6.026 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.496 4.376 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.867 2.606 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.958 3.975 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.697 2.903 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.328 2.561 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.370 3.827 -7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.147 5.412 -7.172 1.00 0.00 H new ATOM 724 N ARG A 47 -1.732 3.585 -3.533 1.00 0.00 N ATOM 725 CA ARG A 47 -0.665 3.127 -4.409 1.00 0.00 C ATOM 726 C ARG A 47 0.125 2.038 -3.705 1.00 0.00 C ATOM 727 O ARG A 47 1.317 2.180 -3.421 1.00 0.00 O ATOM 728 CB ARG A 47 0.246 4.290 -4.806 1.00 0.00 C ATOM 729 CG ARG A 47 0.995 4.060 -6.104 1.00 0.00 C ATOM 730 CD ARG A 47 0.037 3.998 -7.285 1.00 0.00 C ATOM 731 NE ARG A 47 0.712 3.674 -8.539 1.00 0.00 N ATOM 732 CZ ARG A 47 0.182 3.886 -9.743 1.00 0.00 C ATOM 733 NH1 ARG A 47 -1.020 4.442 -9.852 1.00 0.00 N ATOM 734 NH2 ARG A 47 0.849 3.537 -10.835 1.00 0.00 N ATOM 0 H ARG A 47 -1.568 3.413 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.098 2.721 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.354 5.195 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.966 4.465 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.716 4.862 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.561 3.130 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.731 3.250 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.471 4.957 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 47 1.644 3.261 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.537 4.707 -9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.425 4.604 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.770 3.105 -10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.441 3.700 -11.756 1.00 0.00 H new ATOM 748 N ILE A 48 -0.565 0.951 -3.419 1.00 0.00 N ATOM 749 CA ILE A 48 -0.014 -0.123 -2.614 1.00 0.00 C ATOM 750 C ILE A 48 0.586 -1.199 -3.509 1.00 0.00 C ATOM 751 O ILE A 48 0.225 -1.313 -4.679 1.00 0.00 O ATOM 752 CB ILE A 48 -1.109 -0.740 -1.725 1.00 0.00 C ATOM 753 CG1 ILE A 48 -1.998 0.367 -1.137 1.00 0.00 C ATOM 754 CG2 ILE A 48 -0.490 -1.582 -0.616 1.00 0.00 C ATOM 755 CD1 ILE A 48 -1.255 1.361 -0.266 1.00 0.00 C ATOM 0 H ILE A 48 -1.520 0.787 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 48 0.770 0.290 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.729 -1.394 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.479 0.905 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.791 -0.093 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.281 -2.009 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.101 -2.385 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.153 -0.955 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.953 2.109 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.797 0.838 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.479 1.852 -0.854 1.00 0.00 H new ATOM 767 N ARG A 49 1.492 -1.995 -2.956 1.00 0.00 N ATOM 768 CA ARG A 49 2.206 -2.995 -3.735 1.00 0.00 C ATOM 769 C ARG A 49 1.504 -4.348 -3.669 1.00 0.00 C ATOM 770 O ARG A 49 2.133 -5.397 -3.793 1.00 0.00 O ATOM 771 CB ARG A 49 3.658 -3.101 -3.242 1.00 0.00 C ATOM 772 CG ARG A 49 4.592 -3.855 -4.180 1.00 0.00 C ATOM 773 CD ARG A 49 4.707 -3.164 -5.528 1.00 0.00 C ATOM 774 NE ARG A 49 5.163 -1.778 -5.399 1.00 0.00 N ATOM 775 CZ ARG A 49 5.011 -0.858 -6.351 1.00 0.00 C ATOM 776 NH1 ARG A 49 4.429 -1.182 -7.498 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.444 0.383 -6.161 1.00 0.00 N ATOM 0 H ARG A 49 1.749 -1.966 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 49 2.213 -2.683 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.051 -2.096 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.663 -3.595 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.580 -3.934 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.224 -4.871 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.402 -3.717 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.739 -3.182 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 49 5.623 -1.501 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.098 -2.135 -7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.312 -0.478 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.896 0.637 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.325 1.083 -6.894 1.00 0.00 H new ATOM 791 N SER A 50 0.184 -4.285 -3.518 1.00 0.00 N ATOM 792 CA SER A 50 -0.682 -5.460 -3.476 1.00 0.00 C ATOM 793 C SER A 50 -0.330 -6.450 -2.356 1.00 0.00 C ATOM 794 O SER A 50 0.781 -6.967 -2.274 1.00 0.00 O ATOM 795 CB SER A 50 -0.635 -6.169 -4.820 1.00 0.00 C ATOM 796 OG SER A 50 -0.691 -5.241 -5.893 1.00 0.00 O ATOM 0 H SER A 50 -0.321 -3.404 -3.420 1.00 0.00 H new ATOM 0 HA SER A 50 -1.687 -5.099 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.280 -6.757 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.469 -6.867 -4.895 1.00 0.00 H new ATOM 0 HG SER A 50 -1.486 -4.676 -5.796 1.00 0.00 H new ATOM 802 N ASP A 51 -1.303 -6.728 -1.507 1.00 0.00 N ATOM 803 CA ASP A 51 -1.174 -7.779 -0.512 1.00 0.00 C ATOM 804 C ASP A 51 -1.791 -9.065 -1.069 1.00 0.00 C ATOM 805 O ASP A 51 -2.215 -9.088 -2.228 1.00 0.00 O ATOM 806 CB ASP A 51 -1.844 -7.367 0.803 1.00 0.00 C ATOM 807 CG ASP A 51 -1.207 -6.140 1.433 1.00 0.00 C ATOM 808 OD1 ASP A 51 -0.292 -6.300 2.272 1.00 0.00 O ATOM 809 OD2 ASP A 51 -1.628 -5.009 1.109 1.00 0.00 O ATOM 0 H ASP A 51 -2.197 -6.237 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.120 -7.952 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.900 -7.168 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.793 -8.198 1.507 1.00 0.00 H new ATOM 814 N HIS A 52 -1.857 -10.124 -0.258 1.00 0.00 N ATOM 815 CA HIS A 52 -2.234 -11.453 -0.750 1.00 0.00 C ATOM 816 C HIS A 52 -3.573 -11.479 -1.505 1.00 0.00 C ATOM 817 O HIS A 52 -3.698 -12.182 -2.508 1.00 0.00 O ATOM 818 CB HIS A 52 -2.222 -12.498 0.381 1.00 0.00 C ATOM 819 CG HIS A 52 -3.060 -12.176 1.586 1.00 0.00 C ATOM 820 ND1 HIS A 52 -4.409 -12.449 1.669 1.00 0.00 N ATOM 821 CD2 HIS A 52 -2.718 -11.640 2.780 1.00 0.00 C ATOM 822 CE1 HIS A 52 -4.855 -12.094 2.859 1.00 0.00 C ATOM 823 NE2 HIS A 52 -3.849 -11.601 3.552 1.00 0.00 N ATOM 0 H HIS A 52 -1.655 -10.088 0.741 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.470 -11.719 -1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.560 -13.450 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.192 -12.639 0.707 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.974 -12.861 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.734 -11.304 3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.873 -12.191 3.206 1.00 0.00 H new ATOM 832 N ASP A 53 -4.570 -10.729 -1.050 1.00 0.00 N ATOM 833 CA ASP A 53 -5.853 -10.690 -1.760 1.00 0.00 C ATOM 834 C ASP A 53 -6.256 -9.265 -2.078 1.00 0.00 C ATOM 835 O ASP A 53 -7.433 -8.910 -2.021 1.00 0.00 O ATOM 836 CB ASP A 53 -6.969 -11.368 -0.963 1.00 0.00 C ATOM 837 CG ASP A 53 -6.802 -12.871 -0.897 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.259 -13.371 0.104 1.00 0.00 O ATOM 839 OD2 ASP A 53 -7.204 -13.563 -1.856 1.00 0.00 O ATOM 0 H ASP A 53 -4.523 -10.150 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.712 -11.241 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.987 -10.963 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.931 -11.132 -1.418 1.00 0.00 H new ATOM 844 N SER A 54 -5.275 -8.447 -2.403 1.00 0.00 N ATOM 845 CA SER A 54 -5.526 -7.060 -2.734 1.00 0.00 C ATOM 846 C SER A 54 -5.986 -6.914 -4.171 1.00 0.00 C ATOM 847 O SER A 54 -5.776 -7.799 -4.999 1.00 0.00 O ATOM 848 CB SER A 54 -4.273 -6.234 -2.514 1.00 0.00 C ATOM 849 OG SER A 54 -4.031 -5.997 -1.144 1.00 0.00 O ATOM 0 H SER A 54 -4.293 -8.721 -2.445 1.00 0.00 H new ATOM 0 HA SER A 54 -6.319 -6.699 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.417 -6.750 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.370 -5.282 -3.035 1.00 0.00 H new ATOM 0 HG SER A 54 -4.717 -5.393 -0.790 1.00 0.00 H new ATOM 855 N HIS A 55 -6.610 -5.782 -4.450 1.00 0.00 N ATOM 856 CA HIS A 55 -7.112 -5.474 -5.783 1.00 0.00 C ATOM 857 C HIS A 55 -7.704 -4.083 -5.802 1.00 0.00 C ATOM 858 O HIS A 55 -7.734 -3.404 -4.778 1.00 0.00 O ATOM 859 CB HIS A 55 -8.155 -6.489 -6.285 1.00 0.00 C ATOM 860 CG HIS A 55 -9.289 -6.761 -5.341 1.00 0.00 C ATOM 861 ND1 HIS A 55 -9.324 -7.496 -4.210 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 -10.575 -6.304 -5.540 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 -10.617 -7.480 -3.748 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 -11.349 -6.750 -4.572 1.00 0.00 N flip ATOM 0 H HIS A 55 -6.784 -5.050 -3.761 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.260 -5.532 -6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.567 -6.127 -7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.648 -7.430 -6.500 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.535 -7.976 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.897 -5.679 -6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.976 -7.980 -2.860 1.00 0.00 H new ATOM 873 N SER A 56 -8.160 -3.665 -6.962 1.00 0.00 N ATOM 874 CA SER A 56 -8.773 -2.361 -7.111 1.00 0.00 C ATOM 875 C SER A 56 -10.248 -2.407 -6.724 1.00 0.00 C ATOM 876 O SER A 56 -10.902 -3.445 -6.844 1.00 0.00 O ATOM 877 CB SER A 56 -8.610 -1.884 -8.554 1.00 0.00 C ATOM 878 OG SER A 56 -8.947 -2.913 -9.468 1.00 0.00 O ATOM 0 H SER A 56 -8.118 -4.212 -7.822 1.00 0.00 H new ATOM 0 HA SER A 56 -8.276 -1.658 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.245 -1.015 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.581 -1.566 -8.722 1.00 0.00 H new ATOM 0 HG SER A 56 -8.837 -2.585 -10.385 1.00 0.00 H new ATOM 884 N CYS A 57 -10.749 -1.291 -6.225 1.00 0.00 N ATOM 885 CA CYS A 57 -12.162 -1.145 -5.925 1.00 0.00 C ATOM 886 C CYS A 57 -12.573 0.311 -6.099 1.00 0.00 C ATOM 887 O CYS A 57 -11.714 1.176 -6.307 1.00 0.00 O ATOM 888 CB CYS A 57 -12.458 -1.608 -4.504 1.00 0.00 C ATOM 889 SG CYS A 57 -11.483 -0.742 -3.233 1.00 0.00 S ATOM 0 H CYS A 57 -10.190 -0.463 -6.017 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.735 -1.766 -6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.518 -1.462 -4.298 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.263 -2.678 -4.432 1.00 0.00 H new ATOM 894 N ALA A 58 -13.877 0.576 -6.025 1.00 0.00 N ATOM 895 CA ALA A 58 -14.410 1.930 -6.177 1.00 0.00 C ATOM 896 C ALA A 58 -14.012 2.519 -7.526 1.00 0.00 C ATOM 897 O ALA A 58 -13.746 3.714 -7.637 1.00 0.00 O ATOM 898 CB ALA A 58 -13.941 2.827 -5.032 1.00 0.00 C ATOM 0 H ALA A 58 -14.589 -0.135 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.498 1.874 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.349 3.829 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.287 2.417 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.852 2.876 -5.030 1.00 0.00 H new ATOM 904 N ASN A 59 -13.977 1.660 -8.542 1.00 0.00 N ATOM 905 CA ASN A 59 -13.521 2.038 -9.884 1.00 0.00 C ATOM 906 C ASN A 59 -12.059 2.464 -9.840 1.00 0.00 C ATOM 907 O ASN A 59 -11.663 3.464 -10.444 1.00 0.00 O ATOM 908 CB ASN A 59 -14.385 3.154 -10.490 1.00 0.00 C ATOM 909 CG ASN A 59 -15.800 2.701 -10.798 1.00 0.00 C ATOM 910 OD1 ASN A 59 -16.051 1.517 -11.037 1.00 0.00 O ATOM 911 ND2 ASN A 59 -16.733 3.642 -10.811 1.00 0.00 N ATOM 0 H ASN A 59 -14.262 0.684 -8.462 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.622 1.163 -10.526 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.420 3.996 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.916 3.513 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.700 3.398 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.484 4.610 -10.608 1.00 0.00 H new ATOM 918 N ASN A 60 -11.275 1.684 -9.098 1.00 0.00 N ATOM 919 CA ASN A 60 -9.849 1.931 -8.898 1.00 0.00 C ATOM 920 C ASN A 60 -9.612 3.305 -8.270 1.00 0.00 C ATOM 921 O ASN A 60 -8.600 3.960 -8.511 1.00 0.00 O ATOM 922 CB ASN A 60 -9.078 1.778 -10.211 1.00 0.00 C ATOM 923 CG ASN A 60 -7.566 1.765 -10.026 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.096 1.298 -8.875 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -6.823 2.179 -10.915 1.00 0.00 N flip ATOM 0 H ASN A 60 -11.616 0.854 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.471 1.182 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.385 0.853 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.348 2.595 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.218 2.531 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.812 2.170 -10.780 1.00 0.00 H new ATOM 932 N ARG A 61 -10.566 3.736 -7.461 1.00 0.00 N ATOM 933 CA ARG A 61 -10.398 4.930 -6.648 1.00 0.00 C ATOM 934 C ARG A 61 -10.134 4.505 -5.215 1.00 0.00 C ATOM 935 O ARG A 61 -10.370 5.252 -4.269 1.00 0.00 O ATOM 936 CB ARG A 61 -11.633 5.830 -6.720 1.00 0.00 C ATOM 937 CG ARG A 61 -11.901 6.395 -8.106 1.00 0.00 C ATOM 938 CD ARG A 61 -13.189 7.203 -8.135 1.00 0.00 C ATOM 939 NE ARG A 61 -14.346 6.391 -7.758 1.00 0.00 N ATOM 940 CZ ARG A 61 -15.552 6.888 -7.480 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.770 8.196 -7.546 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.542 6.073 -7.134 1.00 0.00 N ATOM 0 H ARG A 61 -11.469 3.275 -7.349 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.555 5.507 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.504 5.262 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.511 6.655 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.066 7.026 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.964 5.580 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.102 8.051 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.341 7.610 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.222 5.380 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.013 8.826 -7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.694 8.570 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.380 5.067 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.464 6.453 -6.921 1.00 0.00 H new ATOM 956 N GLY A 62 -9.669 3.272 -5.084 1.00 0.00 N ATOM 957 CA GLY A 62 -9.332 2.706 -3.800 1.00 0.00 C ATOM 958 C GLY A 62 -8.638 1.370 -3.970 1.00 0.00 C ATOM 959 O GLY A 62 -9.088 0.539 -4.763 1.00 0.00 O ATOM 0 H GLY A 62 -9.517 2.640 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.684 3.391 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.236 2.579 -3.204 1.00 0.00 H new ATOM 963 N TRP A 63 -7.514 1.174 -3.297 1.00 0.00 N ATOM 964 CA TRP A 63 -6.869 -0.136 -3.295 1.00 0.00 C ATOM 965 C TRP A 63 -7.326 -0.969 -2.097 1.00 0.00 C ATOM 966 O TRP A 63 -7.346 -0.494 -0.965 1.00 0.00 O ATOM 967 CB TRP A 63 -5.339 -0.013 -3.295 1.00 0.00 C ATOM 968 CG TRP A 63 -4.661 -1.330 -3.468 1.00 0.00 C ATOM 969 CD1 TRP A 63 -4.080 -2.084 -2.496 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.516 -2.057 -4.687 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.573 -3.237 -3.032 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.828 -3.244 -4.384 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.898 -1.816 -6.007 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.520 -4.189 -5.357 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.592 -2.752 -6.970 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.907 -3.927 -6.643 1.00 0.00 C ATOM 0 H TRP A 63 -7.034 1.891 -2.753 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.169 -0.643 -4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.032 0.659 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.014 0.439 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.027 -1.812 -1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.087 -3.969 -2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.425 -0.911 -6.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.994 -5.098 -5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.886 -2.576 -7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.679 -4.641 -7.421 1.00 0.00 H new ATOM 987 N CYS A 64 -7.701 -2.212 -2.363 1.00 0.00 N ATOM 988 CA CYS A 64 -8.107 -3.139 -1.315 1.00 0.00 C ATOM 989 C CYS A 64 -6.911 -3.616 -0.511 1.00 0.00 C ATOM 990 O CYS A 64 -5.986 -4.207 -1.071 1.00 0.00 O ATOM 991 CB CYS A 64 -8.811 -4.350 -1.917 1.00 0.00 C ATOM 992 SG CYS A 64 -10.394 -3.971 -2.727 1.00 0.00 S ATOM 0 H CYS A 64 -7.733 -2.605 -3.304 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.790 -2.605 -0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.147 -4.817 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.986 -5.082 -1.129 1.00 0.00 H new ATOM 997 N ARG A 65 -6.953 -3.383 0.795 1.00 0.00 N ATOM 998 CA ARG A 65 -5.882 -3.792 1.697 1.00 0.00 C ATOM 999 C ARG A 65 -6.446 -4.504 2.922 1.00 0.00 C ATOM 1000 O ARG A 65 -7.657 -4.498 3.147 1.00 0.00 O ATOM 1001 CB ARG A 65 -5.082 -2.589 2.188 1.00 0.00 C ATOM 1002 CG ARG A 65 -4.193 -1.932 1.159 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.932 -1.422 1.832 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.050 -2.527 2.221 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.421 -2.625 3.390 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.637 -1.734 4.348 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.602 -3.643 3.611 1.00 0.00 N ATOM 0 H ARG A 65 -7.727 -2.907 1.258 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.235 -4.463 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.779 -1.843 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.463 -2.905 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.937 -2.645 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.721 -1.108 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.402 -0.752 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.198 -0.839 2.714 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.908 -3.277 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.290 -0.966 4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.151 -1.817 5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.456 -4.347 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.117 -3.723 4.505 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.575 -5.136 3.732 1.00 0.00 N ATOM 1022 CA PRO A 66 -5.958 -5.656 5.037 1.00 0.00 C ATOM 1023 C PRO A 66 -5.995 -4.535 6.080 1.00 0.00 C ATOM 1024 O PRO A 66 -6.737 -4.599 7.059 1.00 0.00 O ATOM 1025 CB PRO A 66 -4.861 -6.675 5.379 1.00 0.00 C ATOM 1026 CG PRO A 66 -3.912 -6.679 4.222 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.165 -5.423 3.440 1.00 0.00 C ATOM 0 HA PRO A 66 -6.953 -6.100 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.348 -6.399 6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.287 -7.666 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.880 -6.715 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.068 -7.559 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.512 -4.610 3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.995 -5.569 2.373 1.00 0.00 H new ATOM 1035 N THR A 67 -5.181 -3.505 5.849 1.00 0.00 N ATOM 1036 CA THR A 67 -5.127 -2.333 6.716 1.00 0.00 C ATOM 1037 C THR A 67 -4.889 -1.087 5.865 1.00 0.00 C ATOM 1038 O THR A 67 -4.225 -1.158 4.836 1.00 0.00 O ATOM 1039 CB THR A 67 -3.997 -2.456 7.758 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.955 -3.791 8.281 1.00 0.00 O ATOM 1041 CG2 THR A 67 -4.200 -1.472 8.902 1.00 0.00 C ATOM 0 H THR A 67 -4.542 -3.462 5.055 1.00 0.00 H new ATOM 0 HA THR A 67 -6.076 -2.258 7.246 1.00 0.00 H new ATOM 0 HB THR A 67 -3.054 -2.225 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.234 -3.861 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.389 -1.580 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.205 -0.455 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.151 -1.676 9.393 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.423 0.041 6.291 1.00 0.00 N ATOM 1050 CA CYS A 68 -5.331 1.268 5.510 1.00 0.00 C ATOM 1051 C CYS A 68 -4.241 2.201 6.034 1.00 0.00 C ATOM 1052 O CYS A 68 -4.069 2.367 7.245 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.681 1.977 5.514 1.00 0.00 C ATOM 1054 SG CYS A 68 -8.019 0.992 4.761 1.00 0.00 S ATOM 0 H CYS A 68 -5.926 0.138 7.173 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.059 0.997 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.953 2.220 6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.589 2.921 4.977 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.505 2.800 5.104 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.461 3.766 5.436 1.00 0.00 C ATOM 1061 C PHE A 69 -3.058 5.152 5.657 1.00 0.00 C ATOM 1062 O PHE A 69 -4.221 5.399 5.347 1.00 0.00 O ATOM 1063 CB PHE A 69 -1.416 3.846 4.317 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.565 2.618 4.169 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -0.839 1.669 3.194 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.527 2.425 4.995 1.00 0.00 C ATOM 1067 CE1 PHE A 69 -0.038 0.555 3.053 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.326 1.311 4.858 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.047 0.375 3.886 1.00 0.00 C ATOM 0 H PHE A 69 -3.613 2.632 4.104 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.981 3.427 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.927 4.034 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.767 4.702 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.687 1.804 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.756 3.156 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.260 -0.177 2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.173 1.171 5.514 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.675 -0.496 3.777 1.00 0.00 H new ATOM 1079 N SER A 70 -2.245 6.058 6.176 1.00 0.00 N ATOM 1080 CA SER A 70 -2.691 7.414 6.461 1.00 0.00 C ATOM 1081 C SER A 70 -2.673 8.264 5.192 1.00 0.00 C ATOM 1082 O SER A 70 -1.715 8.998 4.937 1.00 0.00 O ATOM 1083 CB SER A 70 -1.803 8.029 7.541 1.00 0.00 C ATOM 1084 OG SER A 70 -1.764 7.195 8.692 1.00 0.00 O ATOM 0 H SER A 70 -1.268 5.879 6.410 1.00 0.00 H new ATOM 0 HA SER A 70 -3.718 7.383 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.794 8.170 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.181 9.015 7.812 1.00 0.00 H new ATOM 0 HG SER A 70 -1.189 7.604 9.373 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.769 8.166 4.435 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.915 8.758 3.105 1.00 0.00 C ATOM 1092 C HIS A 71 -5.019 8.002 2.388 1.00 0.00 C ATOM 1093 O HIS A 71 -5.404 8.333 1.271 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.611 8.736 2.267 1.00 0.00 C ATOM 1095 CG HIS A 71 -2.100 7.378 1.860 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.772 7.122 1.589 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.746 6.217 1.637 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.636 5.862 1.212 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.824 5.293 1.236 1.00 0.00 N ATOM 0 H HIS A 71 -4.600 7.659 4.739 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.161 9.813 3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.775 9.324 1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.830 9.238 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.806 6.047 1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.290 5.382 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.022 4.322 0.995 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.479 6.947 3.053 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.600 6.147 2.610 1.00 0.00 C ATOM 1110 C GLU A 72 -7.418 5.741 3.832 1.00 0.00 C ATOM 1111 O GLU A 72 -6.919 5.770 4.958 1.00 0.00 O ATOM 1112 CB GLU A 72 -6.103 4.912 1.859 1.00 0.00 C ATOM 1113 CG GLU A 72 -5.132 4.078 2.680 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.291 3.117 1.862 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.844 3.495 0.758 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.031 2.001 2.354 1.00 0.00 O ATOM 0 H GLU A 72 -5.071 6.624 3.930 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.224 6.724 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.956 4.296 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.616 5.225 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.469 4.748 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.695 3.510 3.421 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.667 5.393 3.621 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.542 5.010 4.717 1.00 0.00 C ATOM 1125 C TYR A 73 -10.282 3.730 4.388 1.00 0.00 C ATOM 1126 O TYR A 73 -10.205 3.226 3.271 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.551 6.120 5.010 1.00 0.00 C ATOM 1128 CG TYR A 73 -11.336 6.559 3.799 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.037 7.752 3.161 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -12.368 5.781 3.293 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -11.745 8.159 2.051 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -13.081 6.176 2.185 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.768 7.366 1.564 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.484 7.763 0.461 1.00 0.00 O ATOM 0 H TYR A 73 -9.105 5.366 2.700 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.923 4.846 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.245 5.775 5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.023 6.980 5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.238 8.372 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.616 4.848 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.502 9.092 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.881 5.558 1.804 1.00 0.00 H new ATOM 0 HH TYR A 73 -14.164 7.089 0.253 1.00 0.00 H new ATOM 1144 N THR A 74 -11.029 3.243 5.359 1.00 0.00 N ATOM 1145 CA THR A 74 -11.798 2.030 5.202 1.00 0.00 C ATOM 1146 C THR A 74 -13.159 2.342 4.593 1.00 0.00 C ATOM 1147 O THR A 74 -14.084 2.767 5.290 1.00 0.00 O ATOM 1148 CB THR A 74 -11.987 1.320 6.560 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.704 0.999 7.120 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.810 0.050 6.406 1.00 0.00 C ATOM 0 H THR A 74 -11.118 3.678 6.277 1.00 0.00 H new ATOM 0 HA THR A 74 -11.249 1.366 4.534 1.00 0.00 H new ATOM 0 HB THR A 74 -12.523 1.996 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.013 1.094 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.926 -0.428 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.792 0.299 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.302 -0.632 5.725 1.00 0.00 H new ATOM 1158 N ASP A 75 -13.264 2.174 3.284 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.543 2.295 2.612 1.00 0.00 C ATOM 1160 C ASP A 75 -15.297 0.987 2.766 1.00 0.00 C ATOM 1161 O ASP A 75 -14.886 -0.048 2.234 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.363 2.643 1.132 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.685 2.835 0.411 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.237 3.956 0.453 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -16.177 1.871 -0.203 1.00 0.00 O ATOM 0 H ASP A 75 -12.480 1.954 2.670 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.111 3.107 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.771 3.554 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.799 1.849 0.642 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.374 1.038 3.529 1.00 0.00 N ATOM 1171 CA TRP A 76 -17.133 -0.154 3.879 1.00 0.00 C ATOM 1172 C TRP A 76 -18.042 -0.607 2.741 1.00 0.00 C ATOM 1173 O TRP A 76 -18.460 -1.760 2.699 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.938 0.098 5.152 1.00 0.00 C ATOM 1175 CG TRP A 76 -17.070 0.175 6.370 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.576 1.300 6.964 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.573 -0.929 7.130 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.814 0.961 8.057 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.795 -0.403 8.177 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.714 -2.311 7.024 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -15.161 -1.216 9.112 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.084 -3.117 7.950 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.315 -2.570 8.982 1.00 0.00 C ATOM 0 H TRP A 76 -16.748 1.901 3.923 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.425 -0.963 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.496 1.028 5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.669 -0.700 5.280 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.757 2.309 6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.340 1.618 8.677 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.306 -2.744 6.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.569 -0.794 9.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.187 -4.190 7.876 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -14.833 -3.228 9.690 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.328 0.294 1.812 1.00 0.00 N ATOM 1195 CA PHE A 77 -19.145 -0.047 0.654 1.00 0.00 C ATOM 1196 C PHE A 77 -18.385 -1.005 -0.258 1.00 0.00 C ATOM 1197 O PHE A 77 -18.852 -2.104 -0.584 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.527 1.214 -0.117 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.474 0.955 -1.249 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -20.028 0.939 -2.561 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -21.814 0.723 -0.998 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -20.904 0.696 -3.601 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -22.694 0.480 -2.033 1.00 0.00 C ATOM 1204 CZ PHE A 77 -22.239 0.468 -3.337 1.00 0.00 C ATOM 0 H PHE A 77 -18.009 1.262 1.836 1.00 0.00 H new ATOM 0 HA PHE A 77 -20.056 -0.534 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.981 1.928 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.623 1.679 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -18.984 1.118 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -22.176 0.732 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -20.544 0.684 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -23.738 0.299 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.927 0.281 -4.148 1.00 0.00 H new ATOM 1214 N ASN A 78 -17.196 -0.592 -0.655 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.363 -1.409 -1.513 1.00 0.00 C ATOM 1216 C ASN A 78 -15.645 -2.474 -0.698 1.00 0.00 C ATOM 1217 O ASN A 78 -15.031 -3.379 -1.246 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.370 -0.547 -2.280 1.00 0.00 C ATOM 1219 CG ASN A 78 -16.043 0.339 -3.308 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.224 -0.055 -4.461 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -16.422 1.539 -2.899 1.00 0.00 N ATOM 0 H ASN A 78 -16.786 0.305 -0.396 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.002 -1.910 -2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.815 0.074 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.645 -1.190 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.883 2.177 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.253 1.826 -1.935 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.726 -2.364 0.619 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.276 -3.433 1.498 1.00 0.00 C ATOM 1230 C ASN A 79 -16.070 -4.694 1.171 1.00 0.00 C ATOM 1231 O ASN A 79 -15.542 -5.805 1.173 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.483 -3.019 2.958 1.00 0.00 C ATOM 1233 CG ASN A 79 -14.820 -3.938 3.966 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -14.702 -5.146 3.765 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.376 -3.356 5.068 1.00 0.00 N ATOM 0 H ASN A 79 -16.099 -1.547 1.102 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.214 -3.629 1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.097 -2.009 3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.552 -2.982 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.916 -3.912 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.493 -2.351 5.197 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.344 -4.494 0.841 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.217 -5.587 0.442 1.00 0.00 C ATOM 1244 C ASP A 80 -17.763 -6.190 -0.881 1.00 0.00 C ATOM 1245 O ASP A 80 -17.747 -7.412 -1.026 1.00 0.00 O ATOM 1246 CB ASP A 80 -19.669 -5.121 0.323 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.318 -4.863 1.668 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.360 -5.794 2.500 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.818 -3.742 1.890 1.00 0.00 O ATOM 0 H ASP A 80 -17.793 -3.578 0.843 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.158 -6.350 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.705 -4.209 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.244 -5.875 -0.214 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.379 -5.342 -1.841 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.936 -5.839 -3.147 1.00 0.00 C ATOM 1256 C VAL A 81 -15.600 -6.574 -3.027 1.00 0.00 C ATOM 1257 O VAL A 81 -15.258 -7.408 -3.864 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.820 -4.717 -4.216 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -18.030 -3.798 -4.166 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.528 -3.920 -4.084 1.00 0.00 C ATOM 0 H VAL A 81 -17.366 -4.327 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.707 -6.532 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.793 -5.206 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.928 -3.020 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.934 -4.376 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.097 -3.338 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.496 -3.149 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.488 -3.452 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.675 -4.588 -4.204 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.849 -6.258 -1.980 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.573 -6.912 -1.728 1.00 0.00 C ATOM 1272 C CYS A 82 -13.768 -8.218 -0.967 1.00 0.00 C ATOM 1273 O CYS A 82 -13.017 -9.177 -1.155 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.648 -5.983 -0.947 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.244 -4.439 -1.820 1.00 0.00 S ATOM 0 H CYS A 82 -15.103 -5.551 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.116 -7.143 -2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.116 -5.738 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.723 -6.514 -0.721 1.00 0.00 H new ATOM 1280 N GLY A 83 -14.772 -8.249 -0.103 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.063 -9.450 0.649 1.00 0.00 C ATOM 1282 C GLY A 83 -14.392 -9.450 2.005 1.00 0.00 C ATOM 1283 O GLY A 83 -15.024 -9.141 3.015 1.00 0.00 O ATOM 0 H GLY A 83 -15.391 -7.462 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.141 -9.543 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.734 -10.321 0.082 1.00 0.00 H new ATOM 1287 N SER A 84 -13.111 -9.785 2.028 1.00 0.00 N ATOM 1288 CA SER A 84 -12.366 -9.844 3.277 1.00 0.00 C ATOM 1289 C SER A 84 -11.524 -8.584 3.468 1.00 0.00 C ATOM 1290 O SER A 84 -11.416 -8.055 4.581 1.00 0.00 O ATOM 1291 CB SER A 84 -11.478 -11.087 3.295 1.00 0.00 C ATOM 1292 OG SER A 84 -12.248 -12.257 3.053 1.00 0.00 O ATOM 0 H SER A 84 -12.566 -10.020 1.198 1.00 0.00 H new ATOM 0 HA SER A 84 -13.076 -9.903 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.699 -10.995 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.977 -11.168 4.260 1.00 0.00 H new ATOM 0 HG SER A 84 -11.662 -13.043 3.067 1.00 0.00 H new ATOM 1298 N TYR A 85 -10.920 -8.111 2.384 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.151 -6.878 2.418 1.00 0.00 C ATOM 1300 C TYR A 85 -11.052 -5.665 2.509 1.00 0.00 C ATOM 1301 O TYR A 85 -12.196 -5.685 2.056 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.256 -6.758 1.185 1.00 0.00 C ATOM 1303 CG TYR A 85 -7.897 -7.384 1.371 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -6.848 -7.086 0.512 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.652 -8.259 2.423 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -5.610 -7.641 0.694 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.410 -8.818 2.607 1.00 0.00 C ATOM 1308 CZ TYR A 85 -5.390 -8.504 1.738 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.148 -9.064 1.908 1.00 0.00 O ATOM 0 H TYR A 85 -10.949 -8.565 1.471 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.527 -6.915 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.753 -7.230 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.132 -5.704 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.011 -6.407 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.451 -8.504 3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.805 -7.399 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.236 -9.499 3.427 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.118 -9.541 2.764 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.525 -4.615 3.105 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.231 -3.358 3.198 1.00 0.00 C ATOM 1321 C ARG A 86 -10.781 -2.446 2.070 1.00 0.00 C ATOM 1322 O ARG A 86 -9.613 -2.471 1.671 1.00 0.00 O ATOM 1323 CB ARG A 86 -10.986 -2.700 4.558 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.520 -2.444 4.880 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.349 -1.892 6.286 1.00 0.00 C ATOM 1326 NE ARG A 86 -9.771 -2.848 7.311 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.166 -2.497 8.536 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.274 -1.215 8.863 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -10.483 -3.432 9.426 1.00 0.00 N ATOM 0 H ARG A 86 -9.600 -4.610 3.536 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.302 -3.540 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.523 -1.752 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.411 -3.334 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.957 -3.372 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.105 -1.740 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.304 -1.628 6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.928 -0.974 6.387 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.763 -3.840 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.055 -0.493 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.576 -0.952 9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.424 -4.418 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.785 -3.163 10.362 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.701 -1.660 1.543 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.382 -0.780 0.437 1.00 0.00 C ATOM 1345 C CYS A 87 -10.706 0.475 0.952 1.00 0.00 C ATOM 1346 O CYS A 87 -11.355 1.340 1.538 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.642 -0.416 -0.337 1.00 0.00 C ATOM 1348 SG CYS A 87 -12.331 0.640 -1.793 1.00 0.00 S ATOM 0 H CYS A 87 -12.669 -1.613 1.861 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.701 -1.300 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -13.135 -1.332 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -13.333 0.097 0.332 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.405 0.564 0.751 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.646 1.703 1.222 1.00 0.00 C ATOM 1355 C CYS A 88 -8.666 2.822 0.191 1.00 0.00 C ATOM 1356 O CYS A 88 -7.876 2.850 -0.754 1.00 0.00 O ATOM 1357 CB CYS A 88 -7.225 1.270 1.565 1.00 0.00 C ATOM 1358 SG CYS A 88 -7.166 0.062 2.933 1.00 0.00 S ATOM 0 H CYS A 88 -8.852 -0.141 0.264 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.106 2.094 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.759 0.834 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.638 2.148 1.835 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.608 3.732 0.379 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.816 4.841 -0.535 1.00 0.00 C ATOM 1365 C ARG A 89 -9.145 6.106 -0.023 1.00 0.00 C ATOM 1366 O ARG A 89 -9.155 6.370 1.174 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.311 5.075 -0.719 1.00 0.00 C ATOM 1368 CG ARG A 89 -11.956 4.094 -1.674 1.00 0.00 C ATOM 1369 CD ARG A 89 -13.431 4.381 -1.855 1.00 0.00 C ATOM 1370 NE ARG A 89 -13.672 5.699 -2.437 1.00 0.00 N ATOM 1371 CZ ARG A 89 -14.860 6.301 -2.463 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -15.912 5.743 -1.871 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -14.991 7.475 -3.067 1.00 0.00 N ATOM 0 H ARG A 89 -10.250 3.722 1.171 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.366 4.589 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.805 5.006 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.471 6.089 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.454 4.142 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.826 3.079 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.872 3.617 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.933 4.315 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.879 6.190 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.813 4.848 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.818 6.210 -1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.184 7.914 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.899 7.939 -3.089 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.554 6.891 -0.943 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.835 8.133 -0.633 1.00 0.00 C ATOM 1389 C PRO A 90 -8.550 9.020 0.377 1.00 0.00 C ATOM 1390 O PRO A 90 -9.664 9.486 0.136 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.779 8.840 -1.983 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.758 7.742 -2.983 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.540 6.605 -2.387 1.00 0.00 C ATOM 0 HA PRO A 90 -6.867 7.923 -0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.643 9.489 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.891 9.467 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.202 8.066 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.735 7.436 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.550 6.561 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.069 5.645 -2.598 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.891 9.262 1.497 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.458 10.105 2.516 1.00 0.00 C ATOM 1403 C GLY A 91 -8.207 9.578 3.913 1.00 0.00 C ATOM 1404 O GLY A 91 -7.163 8.969 4.195 1.00 0.00 O ATOM 0 H GLY A 91 -6.969 8.886 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.038 11.107 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.532 10.194 2.353 1.00 0.00 H new ATOM 1408 N ARG A 92 -9.169 9.833 4.781 1.00 0.00 N ATOM 1409 CA ARG A 92 -9.158 9.342 6.146 1.00 0.00 C ATOM 1410 C ARG A 92 -10.502 9.670 6.787 1.00 0.00 C ATOM 1411 O ARG A 92 -10.589 10.032 7.959 1.00 0.00 O ATOM 1412 CB ARG A 92 -8.007 9.965 6.934 1.00 0.00 C ATOM 1413 CG ARG A 92 -7.713 9.257 8.249 1.00 0.00 C ATOM 1414 CD ARG A 92 -6.491 9.837 8.943 1.00 0.00 C ATOM 1415 NE ARG A 92 -6.660 11.253 9.269 1.00 0.00 N ATOM 1416 CZ ARG A 92 -5.714 12.006 9.826 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -4.541 11.477 10.150 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -5.946 13.290 10.068 1.00 0.00 N ATOM 0 H ARG A 92 -9.990 10.394 4.554 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.006 8.263 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.108 9.955 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.242 11.010 7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.578 9.339 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.555 8.195 8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.294 9.277 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.619 9.715 8.301 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.557 11.690 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.361 10.489 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.820 12.058 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.849 13.699 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.222 13.868 10.495 1.00 0.00 H new HETATM 1432 N AAR A 93 -11.550 9.567 5.980 1.00 0.00 N HETATM 1433 CA AAR A 93 -12.893 9.872 6.423 1.00 0.00 C HETATM 1434 CB AAR A 93 -13.692 10.512 5.277 1.00 0.00 C HETATM 1435 CG AAR A 93 -13.903 9.615 4.067 1.00 0.00 C HETATM 1436 CD AAR A 93 -14.390 10.396 2.853 1.00 0.00 C HETATM 1437 NE AAR A 93 -15.714 10.986 3.050 1.00 0.00 N HETATM 1438 CZ AAR A 93 -16.493 11.408 2.053 1.00 0.00 C HETATM 1439 NH1 AAR A 93 -17.677 11.944 2.316 1.00 0.00 N HETATM 1440 NH2 AAR A 93 -16.089 11.288 0.796 1.00 0.00 N HETATM 1441 C AAR A 93 -13.584 8.620 6.967 1.00 0.00 C HETATM 1442 O AAR A 93 -13.836 7.657 6.240 1.00 0.00 O HETATM 1443 NT AAR A 93 -13.849 8.619 8.265 1.00 0.00 N HETATM 0 HH22 AAR A 93 -16.686 11.611 0.035 1.00 0.00 H new HETATM 0 HH21 AAR A 93 -15.181 10.872 0.590 1.00 0.00 H new HETATM 0 HH12 AAR A 93 -18.272 12.266 1.553 1.00 0.00 H new HETATM 0 HH11 AAR A 93 -17.993 12.034 3.282 1.00 0.00 H new HETATM 0 HG3 AAR A 93 -12.968 9.111 3.822 1.00 0.00 H new HETATM 0 HG2 AAR A 93 -14.628 8.839 4.313 1.00 0.00 H new HETATM 0 HE AAR A 93 -16.061 11.080 4.004 1.00 0.00 H new HETATM 0 HD3 AAR A 93 -13.675 11.187 2.625 1.00 0.00 H new HETATM 0 HD2 AAR A 93 -14.418 9.733 1.988 1.00 0.00 H new HETATM 0 HB3 AAR A 93 -14.666 10.818 5.659 1.00 0.00 H new HETATM 0 HB2 AAR A 93 -13.177 11.417 4.955 1.00 0.00 H new HETATM 0 HA AAR A 93 -12.842 10.591 7.241 1.00 0.00 H new HETATM 0 H2 AAR A 93 -13.242 8.227 8.985 1.00 0.00 H new HETATM 0 H AAR A 93 -14.858 8.483 8.320 1.00 0.00 H new HETATM 0 H AAR A 93 -11.267 9.783 5.024 1.00 0.00 H new TER 1459 AAR A 93