USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, 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 NoAdj-H: A 93 AAR H : A 93 AAR NT : A 93 AAR C :(H bumps) USER MOD NoAdj-H: A 93 AAR H : A 93 AAR N : A 92 ARG C :(H bumps) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.48! C(o=-1.5!,f=-10!) USER MOD Single : A 10 SER OG : rot 180:sc= -1.31 USER MOD Single : A 11 TYR OH : rot -12:sc= -1.32! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 107:sc= -2.77! USER MOD Single : A 26 THR OG1 : rot 47:sc= 1.18 USER MOD Single : A 28 TYR OH : rot 40:sc= 0.835 USER MOD Single : A 31 TYR OH : rot 180:sc= 0.942 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= -0.0355 F(o=-2.4!,f=-0.036) USER MOD Single : A 43 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.16) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 46 GLN : amide:sc= -0.883 K(o=-0.88,f=-2.3) USER MOD Single : A 50 SER OG : rot 180:sc= 0.288 USER MOD Single : A 52 HIS : no HD1:sc=-0.00297 X(o=-0.003,f=0) USER MOD Single : A 54 SER OG : rot -89:sc= -1.71! USER MOD Single : A 55 HIS :FLIP no HE2:sc= 0.233 F(o=-1.1,f=0.23) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.398 F(o=-1.6!,f=-0.4) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : +bothHN:sc= -1.06 K(o=-1.1,f=-6.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 130:sc= -0.241 USER MOD Single : A 78 ASN : amide:sc= 0.493 K(o=0.49,f=-1.6) USER MOD Single : A 79 ASN : amide:sc= -1.42 X(o=-1.4,f=-1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= 0.345 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -0.632 -0.514 11.024 1.00 0.00 N HETATM 2 CA PCA A 1 -0.312 -0.779 9.612 1.00 0.00 C HETATM 3 CB PCA A 1 -0.987 0.292 8.749 1.00 0.00 C HETATM 4 CG PCA A 1 -1.853 1.048 9.711 1.00 0.00 C HETATM 5 CD PCA A 1 -1.582 0.394 11.052 1.00 0.00 C HETATM 6 OE PCA A 1 -2.430 0.433 11.948 1.00 0.00 O HETATM 7 C PCA A 1 1.194 -0.768 9.407 1.00 0.00 C HETATM 8 O PCA A 1 1.943 -0.661 10.380 1.00 0.00 O HETATM 0 H2 PCA A 1 -1.664 -0.524 11.154 1.00 0.00 H new HETATM 0 HA PCA A 1 -0.681 -1.763 9.322 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -0.252 0.944 8.277 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -1.577 -0.155 7.949 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -1.599 2.108 9.727 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -2.906 0.977 9.439 1.00 0.00 H new ATOM 15 N ALA A 2 1.627 -0.893 8.148 1.00 0.00 N ATOM 16 CA ALA A 2 3.050 -0.903 7.802 1.00 0.00 C ATOM 17 C ALA A 2 3.751 -2.112 8.427 1.00 0.00 C ATOM 18 O ALA A 2 3.100 -2.964 9.038 1.00 0.00 O ATOM 19 CB ALA A 2 3.714 0.394 8.248 1.00 0.00 C ATOM 0 H ALA A 2 1.005 -0.989 7.346 1.00 0.00 H new ATOM 0 HA ALA A 2 3.140 -0.982 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.771 0.371 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.234 1.238 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.612 0.502 9.328 1.00 0.00 H new ATOM 25 N GLN A 3 5.072 -2.172 8.264 1.00 0.00 N ATOM 26 CA GLN A 3 5.899 -3.236 8.801 1.00 0.00 C ATOM 27 C GLN A 3 5.597 -4.593 8.154 1.00 0.00 C ATOM 28 O GLN A 3 4.441 -4.943 7.915 1.00 0.00 O ATOM 29 CB GLN A 3 5.746 -3.315 10.313 1.00 0.00 C ATOM 30 CG GLN A 3 6.644 -4.351 10.928 1.00 0.00 C ATOM 31 CD GLN A 3 8.111 -4.043 10.719 1.00 0.00 C ATOM 32 OE1 GLN A 3 8.705 -4.447 9.721 1.00 0.00 O ATOM 33 NE2 GLN A 3 8.703 -3.326 11.653 1.00 0.00 N ATOM 0 H GLN A 3 5.600 -1.469 7.746 1.00 0.00 H new ATOM 0 HA GLN A 3 6.934 -2.993 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.968 -2.341 10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.709 -3.545 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.438 -4.417 11.996 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.416 -5.326 10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.174 -3.010 12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.690 -3.087 11.563 1.00 0.00 H new ATOM 42 N ALA A 4 6.664 -5.348 7.885 1.00 0.00 N ATOM 43 CA ALA A 4 6.567 -6.667 7.261 1.00 0.00 C ATOM 44 C ALA A 4 5.694 -6.633 6.015 1.00 0.00 C ATOM 45 O ALA A 4 4.681 -7.328 5.925 1.00 0.00 O ATOM 46 CB ALA A 4 6.048 -7.696 8.257 1.00 0.00 C ATOM 0 H ALA A 4 7.620 -5.061 8.094 1.00 0.00 H new ATOM 0 HA ALA A 4 7.570 -6.961 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.983 -8.670 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.729 -7.757 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.059 -7.398 8.606 1.00 0.00 H new ATOM 52 N LEU A 5 6.098 -5.820 5.057 1.00 0.00 N ATOM 53 CA LEU A 5 5.362 -5.691 3.809 1.00 0.00 C ATOM 54 C LEU A 5 5.866 -6.729 2.818 1.00 0.00 C ATOM 55 O LEU A 5 6.542 -7.683 3.202 1.00 0.00 O ATOM 56 CB LEU A 5 5.511 -4.282 3.199 1.00 0.00 C ATOM 57 CG LEU A 5 5.094 -3.092 4.074 1.00 0.00 C ATOM 58 CD1 LEU A 5 3.784 -3.371 4.794 1.00 0.00 C ATOM 59 CD2 LEU A 5 6.194 -2.720 5.056 1.00 0.00 C ATOM 0 H LEU A 5 6.933 -5.237 5.117 1.00 0.00 H new ATOM 0 HA LEU A 5 4.305 -5.852 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.555 -4.145 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.925 -4.248 2.280 1.00 0.00 H new ATOM 0 HG LEU A 5 4.934 -2.237 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.515 -2.510 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.998 -3.556 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.899 -4.248 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.870 -1.874 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.406 -3.570 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.096 -2.449 4.507 1.00 0.00 H new ATOM 71 N LEU A 6 5.522 -6.546 1.555 1.00 0.00 N ATOM 72 CA LEU A 6 6.090 -7.338 0.474 1.00 0.00 C ATOM 73 C LEU A 6 7.612 -7.316 0.555 1.00 0.00 C ATOM 74 O LEU A 6 8.206 -6.367 1.076 1.00 0.00 O ATOM 75 CB LEU A 6 5.653 -6.777 -0.891 1.00 0.00 C ATOM 76 CG LEU A 6 4.212 -7.063 -1.329 1.00 0.00 C ATOM 77 CD1 LEU A 6 3.951 -8.560 -1.387 1.00 0.00 C ATOM 78 CD2 LEU A 6 3.217 -6.374 -0.410 1.00 0.00 C ATOM 0 H LEU A 6 4.844 -5.848 1.249 1.00 0.00 H new ATOM 0 HA LEU A 6 5.730 -8.362 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.794 -5.696 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.324 -7.175 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 6 4.078 -6.658 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.922 -8.738 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.633 -9.021 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.111 -8.996 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.202 -6.593 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.351 -6.737 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.383 -5.297 -0.436 1.00 0.00 H new ATOM 90 N PRO A 7 8.262 -8.385 0.094 1.00 0.00 N ATOM 91 CA PRO A 7 9.716 -8.429 -0.039 1.00 0.00 C ATOM 92 C PRO A 7 10.246 -7.302 -0.905 1.00 0.00 C ATOM 93 O PRO A 7 9.561 -6.807 -1.797 1.00 0.00 O ATOM 94 CB PRO A 7 9.984 -9.770 -0.730 1.00 0.00 C ATOM 95 CG PRO A 7 8.659 -10.217 -1.240 1.00 0.00 C ATOM 96 CD PRO A 7 7.643 -9.653 -0.303 1.00 0.00 C ATOM 0 HA PRO A 7 10.206 -8.323 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.702 -9.658 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.403 -10.496 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.492 -9.860 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.600 -11.305 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.679 -9.501 -0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.469 -10.307 0.552 1.00 0.00 H new ATOM 104 N ILE A 8 11.490 -6.924 -0.644 1.00 0.00 N ATOM 105 CA ILE A 8 12.150 -5.851 -1.380 1.00 0.00 C ATOM 106 C ILE A 8 12.226 -6.131 -2.876 1.00 0.00 C ATOM 107 O ILE A 8 12.389 -5.214 -3.676 1.00 0.00 O ATOM 108 CB ILE A 8 13.567 -5.556 -0.841 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.186 -6.773 -0.137 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.515 -4.369 0.101 1.00 0.00 C ATOM 111 CD1 ILE A 8 14.340 -7.995 -1.019 1.00 0.00 C ATOM 0 H ILE A 8 12.069 -7.349 0.080 1.00 0.00 H new ATOM 0 HA ILE A 8 11.527 -4.970 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 8 14.206 -5.323 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.166 -6.494 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.567 -7.035 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.515 -4.162 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.142 -3.496 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.850 -4.595 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.784 -8.806 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.361 -8.304 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.985 -7.755 -1.864 1.00 0.00 H new ATOM 123 N ALA A 9 12.099 -7.395 -3.253 1.00 0.00 N ATOM 124 CA ALA A 9 12.110 -7.766 -4.656 1.00 0.00 C ATOM 125 C ALA A 9 10.788 -7.399 -5.316 1.00 0.00 C ATOM 126 O ALA A 9 10.728 -7.155 -6.521 1.00 0.00 O ATOM 127 CB ALA A 9 12.383 -9.247 -4.817 1.00 0.00 C ATOM 0 H ALA A 9 11.988 -8.177 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 9 12.910 -7.212 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.387 -9.503 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.353 -9.488 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.606 -9.818 -4.309 1.00 0.00 H new ATOM 133 N SER A 10 9.729 -7.350 -4.516 1.00 0.00 N ATOM 134 CA SER A 10 8.413 -6.983 -5.022 1.00 0.00 C ATOM 135 C SER A 10 8.353 -5.501 -5.404 1.00 0.00 C ATOM 136 O SER A 10 7.447 -5.076 -6.121 1.00 0.00 O ATOM 137 CB SER A 10 7.345 -7.313 -3.983 1.00 0.00 C ATOM 138 OG SER A 10 7.335 -8.703 -3.695 1.00 0.00 O ATOM 0 H SER A 10 9.756 -7.559 -3.518 1.00 0.00 H new ATOM 0 HA SER A 10 8.222 -7.562 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.533 -6.749 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.366 -7.006 -4.351 1.00 0.00 H new ATOM 0 HG SER A 10 6.645 -8.893 -3.026 1.00 0.00 H new ATOM 144 N TYR A 11 9.313 -4.715 -4.920 1.00 0.00 N ATOM 145 CA TYR A 11 9.399 -3.306 -5.292 1.00 0.00 C ATOM 146 C TYR A 11 10.668 -3.035 -6.093 1.00 0.00 C ATOM 147 O TYR A 11 11.072 -1.881 -6.235 1.00 0.00 O ATOM 148 CB TYR A 11 9.426 -2.399 -4.072 1.00 0.00 C ATOM 149 CG TYR A 11 8.640 -2.891 -2.893 1.00 0.00 C ATOM 150 CD1 TYR A 11 9.269 -3.594 -1.885 1.00 0.00 C ATOM 151 CD2 TYR A 11 7.286 -2.635 -2.774 1.00 0.00 C ATOM 152 CE1 TYR A 11 8.570 -4.031 -0.782 1.00 0.00 C ATOM 153 CE2 TYR A 11 6.576 -3.070 -1.679 1.00 0.00 C ATOM 154 CZ TYR A 11 7.221 -3.764 -0.688 1.00 0.00 C ATOM 155 OH TYR A 11 6.519 -4.178 0.409 1.00 0.00 O ATOM 0 H TYR A 11 10.037 -5.028 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 11 8.512 -3.092 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.463 -2.260 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.045 -1.419 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.325 -3.804 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.778 -2.085 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.074 -4.577 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.518 -2.866 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 11 7.065 -4.804 0.930 1.00 0.00 H new ATOM 165 N ALA A 12 11.312 -4.093 -6.580 1.00 0.00 N ATOM 166 CA ALA A 12 12.578 -3.951 -7.299 1.00 0.00 C ATOM 167 C ALA A 12 12.461 -2.971 -8.470 1.00 0.00 C ATOM 168 O ALA A 12 11.783 -3.247 -9.465 1.00 0.00 O ATOM 169 CB ALA A 12 13.063 -5.307 -7.788 1.00 0.00 C ATOM 0 H ALA A 12 10.981 -5.054 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 12 13.309 -3.542 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.006 -5.186 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.211 -5.970 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.320 -5.739 -8.459 1.00 0.00 H new ATOM 175 N GLY A 13 13.128 -1.828 -8.331 1.00 0.00 N ATOM 176 CA GLY A 13 13.096 -0.787 -9.341 1.00 0.00 C ATOM 177 C GLY A 13 11.731 -0.166 -9.480 1.00 0.00 C ATOM 178 O GLY A 13 11.305 0.190 -10.579 1.00 0.00 O ATOM 0 H GLY A 13 13.701 -1.603 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.820 -0.013 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.402 -1.205 -10.300 1.00 0.00 H new ATOM 182 N LEU A 14 11.048 -0.028 -8.360 1.00 0.00 N ATOM 183 CA LEU A 14 9.694 0.491 -8.353 1.00 0.00 C ATOM 184 C LEU A 14 9.567 1.638 -7.369 1.00 0.00 C ATOM 185 O LEU A 14 10.356 1.761 -6.435 1.00 0.00 O ATOM 186 CB LEU A 14 8.702 -0.618 -8.003 1.00 0.00 C ATOM 187 CG LEU A 14 8.683 -1.793 -8.980 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.757 -2.887 -8.486 1.00 0.00 C ATOM 189 CD2 LEU A 14 8.267 -1.329 -10.367 1.00 0.00 C ATOM 0 H LEU A 14 11.411 -0.270 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 14 9.464 0.865 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.937 -0.995 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.701 -0.189 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 14 9.692 -2.201 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.759 -3.714 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.100 -3.243 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.745 -2.492 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.260 -2.180 -11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.269 -0.892 -10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.974 -0.582 -10.728 1.00 0.00 H new ATOM 201 N THR A 15 8.573 2.475 -7.591 1.00 0.00 N ATOM 202 CA THR A 15 8.349 3.637 -6.756 1.00 0.00 C ATOM 203 C THR A 15 7.191 3.372 -5.799 1.00 0.00 C ATOM 204 O THR A 15 6.032 3.286 -6.214 1.00 0.00 O ATOM 205 CB THR A 15 8.041 4.864 -7.626 1.00 0.00 C ATOM 206 OG1 THR A 15 8.758 4.766 -8.864 1.00 0.00 O ATOM 207 CG2 THR A 15 8.444 6.152 -6.933 1.00 0.00 C ATOM 0 H THR A 15 7.901 2.369 -8.351 1.00 0.00 H new ATOM 0 HA THR A 15 9.251 3.835 -6.178 1.00 0.00 H new ATOM 0 HB THR A 15 6.966 4.885 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.560 5.549 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.212 7.000 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.896 6.248 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.514 6.135 -6.727 1.00 0.00 H new ATOM 215 N VAL A 16 7.519 3.223 -4.527 1.00 0.00 N ATOM 216 CA VAL A 16 6.536 2.905 -3.501 1.00 0.00 C ATOM 217 C VAL A 16 6.195 4.138 -2.690 1.00 0.00 C ATOM 218 O VAL A 16 6.990 5.071 -2.582 1.00 0.00 O ATOM 219 CB VAL A 16 7.031 1.789 -2.566 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.382 0.556 -3.370 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.214 2.249 -1.738 1.00 0.00 C ATOM 0 H VAL A 16 8.472 3.318 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 16 5.640 2.549 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 16 6.226 1.539 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.732 -0.229 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.499 0.208 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.168 0.799 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.540 1.438 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.032 2.535 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.922 3.106 -1.131 1.00 0.00 H new ATOM 231 N SER A 17 5.000 4.144 -2.143 1.00 0.00 N ATOM 232 CA SER A 17 4.517 5.274 -1.390 1.00 0.00 C ATOM 233 C SER A 17 5.265 5.428 -0.074 1.00 0.00 C ATOM 234 O SER A 17 5.786 4.450 0.452 1.00 0.00 O ATOM 235 CB SER A 17 3.018 5.141 -1.161 1.00 0.00 C ATOM 236 OG SER A 17 2.384 4.656 -2.327 1.00 0.00 O ATOM 0 H SER A 17 4.340 3.369 -2.208 1.00 0.00 H new ATOM 0 HA SER A 17 4.703 6.179 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.829 4.464 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.598 6.109 -0.886 1.00 0.00 H new ATOM 0 HG SER A 17 2.117 3.723 -2.190 1.00 0.00 H new ATOM 242 N ALA A 18 5.328 6.648 0.448 1.00 0.00 N ATOM 243 CA ALA A 18 6.084 6.917 1.672 1.00 0.00 C ATOM 244 C ALA A 18 5.730 5.934 2.802 1.00 0.00 C ATOM 245 O ALA A 18 6.634 5.392 3.433 1.00 0.00 O ATOM 246 CB ALA A 18 5.882 8.355 2.127 1.00 0.00 C ATOM 0 H ALA A 18 4.868 7.465 0.047 1.00 0.00 H new ATOM 0 HA ALA A 18 7.138 6.770 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.453 8.532 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.224 9.035 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.824 8.530 2.322 1.00 0.00 H new ATOM 252 N PRO A 19 4.423 5.669 3.069 1.00 0.00 N ATOM 253 CA PRO A 19 4.009 4.701 4.100 1.00 0.00 C ATOM 254 C PRO A 19 4.676 3.331 3.949 1.00 0.00 C ATOM 255 O PRO A 19 5.069 2.715 4.936 1.00 0.00 O ATOM 256 CB PRO A 19 2.501 4.579 3.889 1.00 0.00 C ATOM 257 CG PRO A 19 2.104 5.886 3.306 1.00 0.00 C ATOM 258 CD PRO A 19 3.246 6.300 2.428 1.00 0.00 C ATOM 0 HA PRO A 19 4.297 5.039 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.259 3.755 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.982 4.389 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.182 5.795 2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.922 6.624 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.112 5.951 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.346 7.385 2.385 1.00 0.00 H new ATOM 266 N VAL A 20 4.813 2.860 2.712 1.00 0.00 N ATOM 267 CA VAL A 20 5.414 1.559 2.452 1.00 0.00 C ATOM 268 C VAL A 20 6.933 1.685 2.381 1.00 0.00 C ATOM 269 O VAL A 20 7.656 0.821 2.865 1.00 0.00 O ATOM 270 CB VAL A 20 4.831 0.896 1.165 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.227 1.927 0.229 1.00 0.00 C ATOM 272 CG2 VAL A 20 5.879 0.071 0.419 1.00 0.00 C ATOM 0 H VAL A 20 4.515 3.362 1.875 1.00 0.00 H new ATOM 0 HA VAL A 20 5.163 0.899 3.282 1.00 0.00 H new ATOM 0 HB VAL A 20 4.042 0.223 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.831 1.428 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.421 2.454 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.995 2.641 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.429 -0.372 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.707 0.716 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.250 -0.720 1.070 1.00 0.00 H new ATOM 282 N PHE A 21 7.397 2.787 1.808 1.00 0.00 N ATOM 283 CA PHE A 21 8.817 3.102 1.726 1.00 0.00 C ATOM 284 C PHE A 21 9.442 3.152 3.114 1.00 0.00 C ATOM 285 O PHE A 21 10.406 2.446 3.405 1.00 0.00 O ATOM 286 CB PHE A 21 8.996 4.457 1.046 1.00 0.00 C ATOM 287 CG PHE A 21 10.413 4.752 0.672 1.00 0.00 C ATOM 288 CD1 PHE A 21 10.895 4.391 -0.569 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.265 5.380 1.563 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.203 4.652 -0.920 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.574 5.646 1.219 1.00 0.00 C ATOM 292 CZ PHE A 21 13.045 5.280 -0.027 1.00 0.00 C ATOM 0 H PHE A 21 6.795 3.493 1.384 1.00 0.00 H new ATOM 0 HA PHE A 21 9.312 2.322 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.377 4.490 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.633 5.240 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.241 3.899 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.901 5.665 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.568 4.364 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.229 6.139 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.069 5.485 -0.301 1.00 0.00 H new ATOM 302 N ALA A 22 8.879 3.996 3.965 1.00 0.00 N ATOM 303 CA ALA A 22 9.384 4.191 5.312 1.00 0.00 C ATOM 304 C ALA A 22 9.290 2.906 6.119 1.00 0.00 C ATOM 305 O ALA A 22 10.167 2.605 6.929 1.00 0.00 O ATOM 306 CB ALA A 22 8.612 5.303 5.999 1.00 0.00 C ATOM 0 H ALA A 22 8.061 4.563 3.741 1.00 0.00 H new ATOM 0 HA ALA A 22 10.435 4.474 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.997 5.443 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.728 6.229 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.556 5.037 6.047 1.00 0.00 H new ATOM 312 N ALA A 23 8.234 2.142 5.880 1.00 0.00 N ATOM 313 CA ALA A 23 8.036 0.886 6.568 1.00 0.00 C ATOM 314 C ALA A 23 9.042 -0.137 6.080 1.00 0.00 C ATOM 315 O ALA A 23 9.568 -0.924 6.855 1.00 0.00 O ATOM 316 CB ALA A 23 6.626 0.397 6.344 1.00 0.00 C ATOM 0 H ALA A 23 7.501 2.376 5.211 1.00 0.00 H new ATOM 0 HA ALA A 23 8.187 1.033 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.482 -0.550 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.920 1.133 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.456 0.254 5.277 1.00 0.00 H new ATOM 322 N LEU A 24 9.299 -0.104 4.786 1.00 0.00 N ATOM 323 CA LEU A 24 10.340 -0.905 4.172 1.00 0.00 C ATOM 324 C LEU A 24 11.685 -0.589 4.796 1.00 0.00 C ATOM 325 O LEU A 24 12.421 -1.481 5.171 1.00 0.00 O ATOM 326 CB LEU A 24 10.385 -0.605 2.687 1.00 0.00 C ATOM 327 CG LEU A 24 9.877 -1.691 1.745 1.00 0.00 C ATOM 328 CD1 LEU A 24 8.691 -2.440 2.331 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.499 -1.046 0.430 1.00 0.00 C ATOM 0 H LEU A 24 8.788 0.483 4.127 1.00 0.00 H new ATOM 0 HA LEU A 24 10.121 -1.961 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.803 0.299 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.417 -0.379 2.418 1.00 0.00 H new ATOM 0 HG LEU A 24 10.669 -2.425 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.360 -3.205 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.986 -2.912 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.875 -1.741 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.133 -1.809 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.718 -0.305 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.374 -0.559 -0.001 1.00 0.00 H new ATOM 341 N VAL A 25 11.999 0.691 4.905 1.00 0.00 N ATOM 342 CA VAL A 25 13.228 1.124 5.567 1.00 0.00 C ATOM 343 C VAL A 25 13.241 0.659 7.024 1.00 0.00 C ATOM 344 O VAL A 25 14.295 0.433 7.614 1.00 0.00 O ATOM 345 CB VAL A 25 13.395 2.658 5.515 1.00 0.00 C ATOM 346 CG1 VAL A 25 14.654 3.086 6.251 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.437 3.140 4.077 1.00 0.00 C ATOM 0 H VAL A 25 11.423 1.452 4.545 1.00 0.00 H new ATOM 0 HA VAL A 25 14.062 0.671 5.030 1.00 0.00 H new ATOM 0 HB VAL A 25 12.535 3.111 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.753 4.170 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.590 2.774 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.523 2.621 5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.555 4.223 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.278 2.675 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.509 2.868 3.575 1.00 0.00 H new ATOM 357 N THR A 26 12.058 0.490 7.579 1.00 0.00 N ATOM 358 CA THR A 26 11.911 0.021 8.948 1.00 0.00 C ATOM 359 C THR A 26 12.363 -1.439 9.089 1.00 0.00 C ATOM 360 O THR A 26 12.974 -1.820 10.090 1.00 0.00 O ATOM 361 CB THR A 26 10.446 0.163 9.420 1.00 0.00 C ATOM 362 OG1 THR A 26 10.056 1.543 9.400 1.00 0.00 O ATOM 363 CG2 THR A 26 10.257 -0.407 10.817 1.00 0.00 C ATOM 0 H THR A 26 11.176 0.671 7.101 1.00 0.00 H new ATOM 0 HA THR A 26 12.549 0.642 9.577 1.00 0.00 H new ATOM 0 HB THR A 26 9.815 -0.403 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.335 1.950 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.216 -0.292 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.520 -1.465 10.817 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.900 0.126 11.518 1.00 0.00 H new ATOM 371 N VAL A 27 12.085 -2.245 8.074 1.00 0.00 N ATOM 372 CA VAL A 27 12.383 -3.671 8.125 1.00 0.00 C ATOM 373 C VAL A 27 13.579 -4.036 7.237 1.00 0.00 C ATOM 374 O VAL A 27 14.526 -4.682 7.685 1.00 0.00 O ATOM 375 CB VAL A 27 11.131 -4.510 7.740 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.247 -3.763 6.757 1.00 0.00 C ATOM 377 CG2 VAL A 27 11.523 -5.844 7.142 1.00 0.00 C ATOM 0 H VAL A 27 11.653 -1.936 7.203 1.00 0.00 H new ATOM 0 HA VAL A 27 12.657 -3.911 9.153 1.00 0.00 H new ATOM 0 HB VAL A 27 10.573 -4.684 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.381 -4.376 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.913 -2.828 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.812 -3.548 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.625 -6.405 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.118 -5.679 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.109 -6.410 7.867 1.00 0.00 H new ATOM 387 N TYR A 28 13.534 -3.601 5.989 1.00 0.00 N ATOM 388 CA TYR A 28 14.568 -3.909 5.011 1.00 0.00 C ATOM 389 C TYR A 28 15.691 -2.881 5.075 1.00 0.00 C ATOM 390 O TYR A 28 16.842 -3.165 4.727 1.00 0.00 O ATOM 391 CB TYR A 28 13.949 -3.926 3.613 1.00 0.00 C ATOM 392 CG TYR A 28 12.771 -4.861 3.510 1.00 0.00 C ATOM 393 CD1 TYR A 28 11.477 -4.367 3.456 1.00 0.00 C ATOM 394 CD2 TYR A 28 12.947 -6.237 3.490 1.00 0.00 C ATOM 395 CE1 TYR A 28 10.393 -5.215 3.383 1.00 0.00 C ATOM 396 CE2 TYR A 28 11.865 -7.092 3.413 1.00 0.00 C ATOM 397 CZ TYR A 28 10.592 -6.575 3.361 1.00 0.00 C ATOM 398 OH TYR A 28 9.511 -7.421 3.288 1.00 0.00 O ATOM 0 H TYR A 28 12.778 -3.023 5.623 1.00 0.00 H new ATOM 0 HA TYR A 28 14.991 -4.888 5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.631 -2.917 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.707 -4.222 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.315 -3.299 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 28 13.946 -6.646 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.391 -4.813 3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.018 -8.161 3.394 1.00 0.00 H new ATOM 0 HH TYR A 28 8.847 -7.050 2.670 1.00 0.00 H new ATOM 408 N GLY A 29 15.341 -1.684 5.513 1.00 0.00 N ATOM 409 CA GLY A 29 16.312 -0.627 5.639 1.00 0.00 C ATOM 410 C GLY A 29 16.468 0.147 4.354 1.00 0.00 C ATOM 411 O GLY A 29 16.076 -0.325 3.284 1.00 0.00 O ATOM 0 H GLY A 29 14.392 -1.426 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.010 0.051 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.274 -1.050 5.928 1.00 0.00 H new ATOM 415 N ALA A 30 17.030 1.341 4.454 1.00 0.00 N ATOM 416 CA ALA A 30 17.314 2.140 3.277 1.00 0.00 C ATOM 417 C ALA A 30 18.375 1.448 2.434 1.00 0.00 C ATOM 418 O ALA A 30 18.481 1.678 1.236 1.00 0.00 O ATOM 419 CB ALA A 30 17.764 3.538 3.674 1.00 0.00 C ATOM 0 H ALA A 30 17.297 1.776 5.337 1.00 0.00 H new ATOM 0 HA ALA A 30 16.404 2.239 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.972 4.122 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.976 4.024 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.667 3.471 4.281 1.00 0.00 H new ATOM 425 N TYR A 31 19.157 0.597 3.088 1.00 0.00 N ATOM 426 CA TYR A 31 20.177 -0.198 2.435 1.00 0.00 C ATOM 427 C TYR A 31 19.567 -1.127 1.387 1.00 0.00 C ATOM 428 O TYR A 31 19.928 -1.068 0.213 1.00 0.00 O ATOM 429 CB TYR A 31 20.916 -1.006 3.497 1.00 0.00 C ATOM 430 CG TYR A 31 22.168 -1.662 2.996 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.244 -3.035 2.858 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.270 -0.900 2.662 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.395 -3.638 2.399 1.00 0.00 C ATOM 434 CE2 TYR A 31 24.429 -1.490 2.201 1.00 0.00 C ATOM 435 CZ TYR A 31 24.486 -2.860 2.070 1.00 0.00 C ATOM 436 OH TYR A 31 25.633 -3.459 1.607 1.00 0.00 O ATOM 0 H TYR A 31 19.096 0.442 4.094 1.00 0.00 H new ATOM 0 HA TYR A 31 20.872 0.463 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.169 -0.349 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.247 -1.772 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 31 21.389 -3.644 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.224 0.174 2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.443 -4.712 2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 31 25.285 -0.883 1.945 1.00 0.00 H new ATOM 0 HH TYR A 31 26.307 -2.773 1.419 1.00 0.00 H new ATOM 446 N ALA A 32 18.634 -1.977 1.809 1.00 0.00 N ATOM 447 CA ALA A 32 17.991 -2.908 0.897 1.00 0.00 C ATOM 448 C ALA A 32 17.181 -2.167 -0.154 1.00 0.00 C ATOM 449 O ALA A 32 17.220 -2.512 -1.331 1.00 0.00 O ATOM 450 CB ALA A 32 17.102 -3.878 1.656 1.00 0.00 C ATOM 0 H ALA A 32 18.310 -2.037 2.774 1.00 0.00 H new ATOM 0 HA ALA A 32 18.773 -3.475 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.631 -4.566 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.704 -4.443 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.332 -3.323 2.192 1.00 0.00 H new ATOM 456 N LEU A 33 16.460 -1.134 0.264 1.00 0.00 N ATOM 457 CA LEU A 33 15.659 -0.353 -0.664 1.00 0.00 C ATOM 458 C LEU A 33 16.536 0.345 -1.701 1.00 0.00 C ATOM 459 O LEU A 33 16.139 0.525 -2.851 1.00 0.00 O ATOM 460 CB LEU A 33 14.813 0.666 0.097 1.00 0.00 C ATOM 461 CG LEU A 33 13.374 0.240 0.351 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.327 -1.055 1.140 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.639 1.338 1.086 1.00 0.00 C ATOM 0 H LEU A 33 16.415 -0.821 1.234 1.00 0.00 H new ATOM 0 HA LEU A 33 14.995 -1.035 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.291 0.871 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.807 1.602 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 33 12.885 0.066 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.289 -1.340 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.832 -1.841 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.826 -0.915 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.609 1.029 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.132 1.531 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.645 2.246 0.484 1.00 0.00 H new ATOM 475 N TYR A 34 17.733 0.722 -1.291 1.00 0.00 N ATOM 476 CA TYR A 34 18.706 1.310 -2.196 1.00 0.00 C ATOM 477 C TYR A 34 19.241 0.241 -3.134 1.00 0.00 C ATOM 478 O TYR A 34 19.517 0.496 -4.306 1.00 0.00 O ATOM 479 CB TYR A 34 19.842 1.944 -1.386 1.00 0.00 C ATOM 480 CG TYR A 34 21.111 2.189 -2.165 1.00 0.00 C ATOM 481 CD1 TYR A 34 22.154 1.274 -2.120 1.00 0.00 C ATOM 482 CD2 TYR A 34 21.267 3.331 -2.937 1.00 0.00 C ATOM 483 CE1 TYR A 34 23.322 1.492 -2.827 1.00 0.00 C ATOM 484 CE2 TYR A 34 22.429 3.556 -3.646 1.00 0.00 C ATOM 485 CZ TYR A 34 23.453 2.635 -3.589 1.00 0.00 C ATOM 486 OH TYR A 34 24.612 2.858 -4.296 1.00 0.00 O ATOM 0 H TYR A 34 18.058 0.631 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 34 18.231 2.088 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.493 2.893 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.071 1.297 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 34 22.052 0.379 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 34 20.467 4.055 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 34 24.126 0.773 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 34 22.536 4.450 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 34 24.541 3.707 -4.781 1.00 0.00 H new ATOM 496 N ARG A 35 19.353 -0.965 -2.606 1.00 0.00 N ATOM 497 CA ARG A 35 19.880 -2.089 -3.355 1.00 0.00 C ATOM 498 C ARG A 35 18.940 -2.502 -4.475 1.00 0.00 C ATOM 499 O ARG A 35 19.374 -2.803 -5.588 1.00 0.00 O ATOM 500 CB ARG A 35 20.117 -3.268 -2.421 1.00 0.00 C ATOM 501 CG ARG A 35 21.482 -3.264 -1.771 1.00 0.00 C ATOM 502 CD ARG A 35 21.747 -4.579 -1.068 1.00 0.00 C ATOM 503 NE ARG A 35 23.100 -4.644 -0.525 1.00 0.00 N ATOM 504 CZ ARG A 35 23.767 -5.779 -0.313 1.00 0.00 C ATOM 505 NH1 ARG A 35 23.222 -6.945 -0.631 1.00 0.00 N ATOM 506 NH2 ARG A 35 24.982 -5.747 0.218 1.00 0.00 N ATOM 0 H ARG A 35 19.082 -1.191 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 35 20.824 -1.780 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.354 -3.263 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.994 -4.195 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.249 -3.089 -2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.547 -2.444 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.026 -4.711 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.597 -5.401 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 35 23.565 -3.766 -0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.288 -6.977 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.737 -7.810 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.407 -4.853 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.491 -6.616 0.380 1.00 0.00 H new ATOM 520 N TYR A 36 17.652 -2.514 -4.177 1.00 0.00 N ATOM 521 CA TYR A 36 16.653 -2.978 -5.130 1.00 0.00 C ATOM 522 C TYR A 36 16.046 -1.835 -5.922 1.00 0.00 C ATOM 523 O TYR A 36 15.047 -2.016 -6.603 1.00 0.00 O ATOM 524 CB TYR A 36 15.559 -3.760 -4.405 1.00 0.00 C ATOM 525 CG TYR A 36 16.062 -5.067 -3.858 1.00 0.00 C ATOM 526 CD1 TYR A 36 16.778 -5.104 -2.676 1.00 0.00 C ATOM 527 CD2 TYR A 36 15.843 -6.256 -4.535 1.00 0.00 C ATOM 528 CE1 TYR A 36 17.271 -6.284 -2.176 1.00 0.00 C ATOM 529 CE2 TYR A 36 16.325 -7.450 -4.041 1.00 0.00 C ATOM 530 CZ TYR A 36 17.041 -7.460 -2.861 1.00 0.00 C ATOM 531 OH TYR A 36 17.532 -8.648 -2.370 1.00 0.00 O ATOM 0 H TYR A 36 17.271 -2.208 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 36 17.157 -3.634 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.162 -3.155 -3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.734 -3.949 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.953 -4.186 -2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 36 15.288 -6.248 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 36 17.834 -6.292 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 36 16.143 -8.371 -4.574 1.00 0.00 H new ATOM 0 HH TYR A 36 17.280 -9.380 -2.972 1.00 0.00 H new ATOM 541 N ASN A 37 16.667 -0.663 -5.826 1.00 0.00 N ATOM 542 CA ASN A 37 16.211 0.532 -6.538 1.00 0.00 C ATOM 543 C ASN A 37 14.742 0.814 -6.219 1.00 0.00 C ATOM 544 O ASN A 37 13.924 1.091 -7.100 1.00 0.00 O ATOM 545 CB ASN A 37 16.424 0.377 -8.049 1.00 0.00 C ATOM 546 CG ASN A 37 16.399 1.706 -8.787 1.00 0.00 C ATOM 547 OD1 ASN A 37 15.245 2.081 -9.310 1.00 0.00 O flip ATOM 548 ND2 ASN A 37 17.415 2.390 -8.888 1.00 0.00 N flip ATOM 0 H ASN A 37 17.498 -0.512 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 37 16.803 1.383 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.380 -0.115 -8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.650 -0.274 -8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.289 2.069 -8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.384 3.278 -9.388 1.00 0.00 H new ATOM 555 N ILE A 38 14.412 0.712 -4.948 1.00 0.00 N ATOM 556 CA ILE A 38 13.077 1.008 -4.482 1.00 0.00 C ATOM 557 C ILE A 38 12.962 2.493 -4.179 1.00 0.00 C ATOM 558 O ILE A 38 13.702 3.029 -3.354 1.00 0.00 O ATOM 559 CB ILE A 38 12.743 0.176 -3.237 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.864 -1.312 -3.571 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.350 0.505 -2.730 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.635 -2.222 -2.394 1.00 0.00 C ATOM 0 H ILE A 38 15.059 0.423 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 38 12.362 0.747 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 38 13.450 0.419 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.146 -1.558 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.857 -1.503 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.133 -0.096 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.297 1.563 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.618 0.285 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.738 -3.260 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.369 -2.005 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.632 -2.061 -1.999 1.00 0.00 H new ATOM 574 N ARG A 39 12.056 3.157 -4.869 1.00 0.00 N ATOM 575 CA ARG A 39 11.953 4.606 -4.795 1.00 0.00 C ATOM 576 C ARG A 39 10.728 5.007 -3.984 1.00 0.00 C ATOM 577 O ARG A 39 9.956 4.150 -3.557 1.00 0.00 O ATOM 578 CB ARG A 39 11.849 5.219 -6.192 1.00 0.00 C ATOM 579 CG ARG A 39 12.776 4.629 -7.243 1.00 0.00 C ATOM 580 CD ARG A 39 14.206 4.423 -6.757 1.00 0.00 C ATOM 581 NE ARG A 39 14.799 5.644 -6.205 1.00 0.00 N ATOM 582 CZ ARG A 39 16.096 5.953 -6.298 1.00 0.00 C ATOM 583 NH1 ARG A 39 16.932 5.156 -6.957 1.00 0.00 N ATOM 584 NH2 ARG A 39 16.554 7.064 -5.737 1.00 0.00 N ATOM 0 H ARG A 39 11.377 2.717 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 39 12.855 4.979 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.821 5.112 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.050 6.288 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.373 3.672 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.789 5.286 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.218 3.643 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.819 4.069 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 39 14.184 6.298 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.585 4.303 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.921 5.398 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.917 7.682 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.544 7.300 -5.808 1.00 0.00 H new ATOM 598 N ARG A 40 10.528 6.308 -3.810 1.00 0.00 N ATOM 599 CA ARG A 40 9.448 6.807 -2.957 1.00 0.00 C ATOM 600 C ARG A 40 8.560 7.793 -3.706 1.00 0.00 C ATOM 601 O ARG A 40 9.054 8.659 -4.432 1.00 0.00 O ATOM 602 CB ARG A 40 10.019 7.476 -1.707 1.00 0.00 C ATOM 603 CG ARG A 40 8.973 7.780 -0.646 1.00 0.00 C ATOM 604 CD ARG A 40 9.610 8.322 0.621 1.00 0.00 C ATOM 605 NE ARG A 40 10.210 9.632 0.409 1.00 0.00 N ATOM 606 CZ ARG A 40 11.247 10.100 1.106 1.00 0.00 C ATOM 607 NH1 ARG A 40 11.758 9.384 2.099 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.758 11.293 0.826 1.00 0.00 N ATOM 0 H ARG A 40 11.095 7.036 -4.245 1.00 0.00 H new ATOM 0 HA ARG A 40 8.840 5.952 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.784 6.829 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.512 8.404 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.258 8.506 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.413 6.874 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.857 8.390 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.372 7.626 0.971 1.00 0.00 H new ATOM 0 HE ARG A 40 9.813 10.228 -0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.358 8.475 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.551 9.743 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.358 11.856 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.551 11.647 1.362 1.00 0.00 H new ATOM 622 N ARG A 41 7.252 7.649 -3.525 1.00 0.00 N ATOM 623 CA ARG A 41 6.275 8.505 -4.210 1.00 0.00 C ATOM 624 C ARG A 41 4.931 8.550 -3.487 1.00 0.00 C ATOM 625 O ARG A 41 4.591 7.635 -2.757 1.00 0.00 O ATOM 626 CB ARG A 41 6.021 7.951 -5.604 1.00 0.00 C ATOM 627 CG ARG A 41 5.391 6.567 -5.570 1.00 0.00 C ATOM 628 CD ARG A 41 3.923 6.605 -5.945 1.00 0.00 C ATOM 629 NE ARG A 41 3.748 6.964 -7.351 1.00 0.00 N ATOM 630 CZ ARG A 41 2.642 7.490 -7.861 1.00 0.00 C ATOM 631 NH1 ARG A 41 1.607 7.766 -7.082 1.00 0.00 N ATOM 632 NH2 ARG A 41 2.572 7.749 -9.160 1.00 0.00 N ATOM 0 H ARG A 41 6.838 6.948 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 41 6.694 9.511 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.367 8.632 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.962 7.906 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.924 5.909 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.500 6.143 -4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.471 5.631 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.402 7.326 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 41 4.531 6.799 -7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.656 7.574 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.761 8.170 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.367 7.544 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.723 8.153 -9.554 1.00 0.00 H new ATOM 646 N GLU A 42 4.183 9.625 -3.715 1.00 0.00 N ATOM 647 CA GLU A 42 2.749 9.688 -3.414 1.00 0.00 C ATOM 648 C GLU A 42 2.077 10.718 -4.292 1.00 0.00 C ATOM 649 O GLU A 42 2.742 11.483 -4.982 1.00 0.00 O ATOM 650 CB GLU A 42 2.440 10.050 -1.970 1.00 0.00 C ATOM 651 CG GLU A 42 2.803 8.975 -0.982 1.00 0.00 C ATOM 652 CD GLU A 42 2.411 9.324 0.437 1.00 0.00 C ATOM 653 OE1 GLU A 42 3.260 9.861 1.174 1.00 0.00 O ATOM 654 OE2 GLU A 42 1.249 9.057 0.826 1.00 0.00 O ATOM 0 H GLU A 42 4.554 10.486 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 42 2.371 8.683 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.976 10.963 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.376 10.269 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.315 8.044 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.878 8.798 -1.024 1.00 0.00 H new ATOM 661 N ASN A 43 0.755 10.740 -4.238 1.00 0.00 N ATOM 662 CA ASN A 43 -0.044 11.700 -4.987 1.00 0.00 C ATOM 663 C ASN A 43 -1.410 11.840 -4.337 1.00 0.00 C ATOM 664 O ASN A 43 -2.443 11.769 -5.010 1.00 0.00 O ATOM 665 CB ASN A 43 -0.188 11.261 -6.445 1.00 0.00 C ATOM 666 CG ASN A 43 0.662 12.081 -7.393 1.00 0.00 C ATOM 667 OD1 ASN A 43 0.189 13.046 -7.993 1.00 0.00 O ATOM 668 ND2 ASN A 43 1.928 11.720 -7.516 1.00 0.00 N ATOM 0 H ASN A 43 0.204 10.093 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 43 0.459 12.667 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.089 10.211 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.234 11.340 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.552 12.248 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.281 10.913 -7.001 1.00 0.00 H new ATOM 675 N SER A 44 -1.390 12.007 -3.012 1.00 0.00 N ATOM 676 CA SER A 44 -2.591 12.145 -2.189 1.00 0.00 C ATOM 677 C SER A 44 -3.343 10.816 -2.053 1.00 0.00 C ATOM 678 O SER A 44 -3.706 10.412 -0.948 1.00 0.00 O ATOM 679 CB SER A 44 -3.498 13.237 -2.760 1.00 0.00 C ATOM 680 OG SER A 44 -4.682 13.408 -1.990 1.00 0.00 O ATOM 0 H SER A 44 -0.525 12.051 -2.474 1.00 0.00 H new ATOM 0 HA SER A 44 -2.281 12.438 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.951 14.179 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.767 12.984 -3.786 1.00 0.00 H new ATOM 0 HG SER A 44 -5.232 14.115 -2.388 1.00 0.00 H new ATOM 686 N TYR A 45 -3.570 10.143 -3.171 1.00 0.00 N ATOM 687 CA TYR A 45 -4.320 8.895 -3.178 1.00 0.00 C ATOM 688 C TYR A 45 -3.484 7.731 -2.645 1.00 0.00 C ATOM 689 O TYR A 45 -2.332 7.905 -2.236 1.00 0.00 O ATOM 690 CB TYR A 45 -4.823 8.578 -4.596 1.00 0.00 C ATOM 691 CG TYR A 45 -3.775 7.979 -5.513 1.00 0.00 C ATOM 692 CD1 TYR A 45 -2.480 8.481 -5.547 1.00 0.00 C ATOM 693 CD2 TYR A 45 -4.082 6.904 -6.339 1.00 0.00 C ATOM 694 CE1 TYR A 45 -1.523 7.937 -6.372 1.00 0.00 C ATOM 695 CE2 TYR A 45 -3.129 6.351 -7.172 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.851 6.871 -7.187 1.00 0.00 C ATOM 697 OH TYR A 45 -0.898 6.321 -8.019 1.00 0.00 O ATOM 0 H TYR A 45 -3.244 10.442 -4.090 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.176 9.024 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.663 7.887 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.202 9.495 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.219 9.315 -4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.081 6.495 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.521 8.341 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.383 5.516 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.293 5.579 -8.523 1.00 0.00 H new ATOM 707 N GLN A 46 -4.078 6.548 -2.664 1.00 0.00 N ATOM 708 CA GLN A 46 -3.394 5.334 -2.255 1.00 0.00 C ATOM 709 C GLN A 46 -2.379 4.907 -3.307 1.00 0.00 C ATOM 710 O GLN A 46 -2.340 5.458 -4.401 1.00 0.00 O ATOM 711 CB GLN A 46 -4.419 4.215 -1.999 1.00 0.00 C ATOM 712 CG GLN A 46 -5.446 4.007 -3.098 1.00 0.00 C ATOM 713 CD GLN A 46 -4.886 3.466 -4.400 1.00 0.00 C ATOM 714 OE1 GLN A 46 -3.937 2.681 -4.416 1.00 0.00 O ATOM 715 NE2 GLN A 46 -5.472 3.890 -5.504 1.00 0.00 N ATOM 0 H GLN A 46 -5.043 6.404 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.854 5.531 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.880 3.280 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.946 4.434 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.211 3.321 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.940 4.958 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.256 4.541 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.141 3.567 -6.413 1.00 0.00 H new ATOM 724 N ARG A 47 -1.560 3.929 -2.967 1.00 0.00 N ATOM 725 CA ARG A 47 -0.634 3.338 -3.919 1.00 0.00 C ATOM 726 C ARG A 47 0.081 2.176 -3.256 1.00 0.00 C ATOM 727 O ARG A 47 1.281 2.226 -2.979 1.00 0.00 O ATOM 728 CB ARG A 47 0.365 4.375 -4.450 1.00 0.00 C ATOM 729 CG ARG A 47 1.199 3.884 -5.625 1.00 0.00 C ATOM 730 CD ARG A 47 0.319 3.392 -6.761 1.00 0.00 C ATOM 731 NE ARG A 47 1.089 3.020 -7.945 1.00 0.00 N ATOM 732 CZ ARG A 47 0.539 2.547 -9.061 1.00 0.00 C ATOM 733 NH1 ARG A 47 -0.777 2.391 -9.136 1.00 0.00 N ATOM 734 NH2 ARG A 47 1.301 2.230 -10.099 1.00 0.00 N ATOM 0 H ARG A 47 -1.516 3.524 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.194 2.973 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.181 5.269 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.033 4.669 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.839 4.691 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.855 3.078 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.259 2.532 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.395 4.171 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 47 2.103 3.129 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.366 2.634 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.200 2.029 -9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.313 2.348 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.875 1.868 -10.952 1.00 0.00 H new ATOM 748 N ILE A 48 -0.685 1.146 -2.956 1.00 0.00 N ATOM 749 CA ILE A 48 -0.134 -0.041 -2.328 1.00 0.00 C ATOM 750 C ILE A 48 0.370 -1.027 -3.377 1.00 0.00 C ATOM 751 O ILE A 48 -0.333 -1.336 -4.342 1.00 0.00 O ATOM 752 CB ILE A 48 -1.164 -0.749 -1.418 1.00 0.00 C ATOM 753 CG1 ILE A 48 -1.502 0.102 -0.187 1.00 0.00 C ATOM 754 CG2 ILE A 48 -0.643 -2.111 -0.990 1.00 0.00 C ATOM 755 CD1 ILE A 48 -2.439 1.258 -0.467 1.00 0.00 C ATOM 0 H ILE A 48 -1.688 1.106 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 48 0.699 0.293 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.080 -0.884 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.951 -0.539 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.576 0.494 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.379 -2.597 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.466 -2.726 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.290 -1.987 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.626 1.807 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.985 1.925 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.382 0.876 -0.859 1.00 0.00 H new ATOM 767 N ARG A 49 1.590 -1.515 -3.177 1.00 0.00 N ATOM 768 CA ARG A 49 2.180 -2.518 -4.055 1.00 0.00 C ATOM 769 C ARG A 49 1.690 -3.917 -3.666 1.00 0.00 C ATOM 770 O ARG A 49 2.468 -4.768 -3.235 1.00 0.00 O ATOM 771 CB ARG A 49 3.715 -2.431 -3.988 1.00 0.00 C ATOM 772 CG ARG A 49 4.451 -3.445 -4.858 1.00 0.00 C ATOM 773 CD ARG A 49 4.119 -3.281 -6.329 1.00 0.00 C ATOM 774 NE ARG A 49 4.774 -4.298 -7.149 1.00 0.00 N ATOM 775 CZ ARG A 49 4.396 -4.612 -8.386 1.00 0.00 C ATOM 776 NH1 ARG A 49 3.363 -3.994 -8.945 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.046 -5.552 -9.059 1.00 0.00 N ATOM 0 H ARG A 49 2.194 -1.228 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 49 1.868 -2.326 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.021 -1.428 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.028 -2.566 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.526 -3.333 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.190 -4.454 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.040 -3.342 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.427 -2.290 -6.663 1.00 0.00 H new ATOM 0 HE ARG A 49 5.569 -4.797 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.857 -3.276 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.076 -4.237 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.835 -6.034 -8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.757 -5.793 -10.007 1.00 0.00 H new ATOM 791 N SER A 50 0.382 -4.126 -3.802 1.00 0.00 N ATOM 792 CA SER A 50 -0.242 -5.424 -3.556 1.00 0.00 C ATOM 793 C SER A 50 -0.067 -5.879 -2.097 1.00 0.00 C ATOM 794 O SER A 50 0.346 -5.104 -1.229 1.00 0.00 O ATOM 795 CB SER A 50 0.340 -6.465 -4.526 1.00 0.00 C ATOM 796 OG SER A 50 -0.421 -7.665 -4.531 1.00 0.00 O ATOM 0 H SER A 50 -0.275 -3.400 -4.086 1.00 0.00 H new ATOM 0 HA SER A 50 -1.314 -5.325 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.368 -6.048 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.369 -6.688 -4.245 1.00 0.00 H new ATOM 0 HG SER A 50 -0.023 -8.302 -5.160 1.00 0.00 H new ATOM 802 N ASP A 51 -0.430 -7.134 -1.845 1.00 0.00 N ATOM 803 CA ASP A 51 -0.295 -7.759 -0.532 1.00 0.00 C ATOM 804 C ASP A 51 -0.511 -9.258 -0.663 1.00 0.00 C ATOM 805 O ASP A 51 0.422 -10.006 -0.936 1.00 0.00 O ATOM 806 CB ASP A 51 -1.280 -7.165 0.487 1.00 0.00 C ATOM 807 CG ASP A 51 -1.161 -7.799 1.862 1.00 0.00 C ATOM 808 OD1 ASP A 51 -2.022 -8.631 2.212 1.00 0.00 O ATOM 809 OD2 ASP A 51 -0.208 -7.474 2.600 1.00 0.00 O ATOM 0 H ASP A 51 -0.829 -7.751 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 51 0.711 -7.562 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.106 -6.092 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.298 -7.295 0.119 1.00 0.00 H new ATOM 814 N HIS A 52 -1.747 -9.690 -0.487 1.00 0.00 N ATOM 815 CA HIS A 52 -2.097 -11.085 -0.633 1.00 0.00 C ATOM 816 C HIS A 52 -3.407 -11.225 -1.402 1.00 0.00 C ATOM 817 O HIS A 52 -3.402 -11.472 -2.608 1.00 0.00 O ATOM 818 CB HIS A 52 -2.203 -11.734 0.742 1.00 0.00 C ATOM 819 CG HIS A 52 -0.885 -12.166 1.319 1.00 0.00 C ATOM 820 ND1 HIS A 52 -0.505 -13.485 1.423 1.00 0.00 N ATOM 821 CD2 HIS A 52 0.138 -11.443 1.836 1.00 0.00 C ATOM 822 CE1 HIS A 52 0.692 -13.555 1.976 1.00 0.00 C ATOM 823 NE2 HIS A 52 1.103 -12.330 2.234 1.00 0.00 N ATOM 0 H HIS A 52 -2.530 -9.085 -0.240 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.317 -11.593 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.675 -11.031 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.859 -12.602 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.184 -10.367 1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.241 -14.462 2.182 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.996 -12.082 2.661 1.00 0.00 H new ATOM 832 N ASP A 53 -4.525 -11.018 -0.715 1.00 0.00 N ATOM 833 CA ASP A 53 -5.840 -11.049 -1.360 1.00 0.00 C ATOM 834 C ASP A 53 -6.198 -9.664 -1.873 1.00 0.00 C ATOM 835 O ASP A 53 -7.369 -9.308 -1.978 1.00 0.00 O ATOM 836 CB ASP A 53 -6.930 -11.522 -0.389 1.00 0.00 C ATOM 837 CG ASP A 53 -6.781 -12.973 0.014 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.165 -13.248 1.064 1.00 0.00 O ATOM 839 OD2 ASP A 53 -7.290 -13.852 -0.714 1.00 0.00 O ATOM 0 H ASP A 53 -4.551 -10.827 0.287 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.786 -11.753 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.906 -10.899 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.907 -11.379 -0.851 1.00 0.00 H new ATOM 844 N SER A 54 -5.178 -8.879 -2.171 1.00 0.00 N ATOM 845 CA SER A 54 -5.364 -7.498 -2.565 1.00 0.00 C ATOM 846 C SER A 54 -5.773 -7.368 -4.024 1.00 0.00 C ATOM 847 O SER A 54 -5.505 -8.246 -4.844 1.00 0.00 O ATOM 848 CB SER A 54 -4.087 -6.720 -2.306 1.00 0.00 C ATOM 849 OG SER A 54 -3.904 -6.473 -0.928 1.00 0.00 O ATOM 0 H SER A 54 -4.204 -9.180 -2.146 1.00 0.00 H new ATOM 0 HA SER A 54 -6.176 -7.086 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.235 -7.278 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.120 -5.773 -2.845 1.00 0.00 H new ATOM 0 HG SER A 54 -4.336 -5.627 -0.687 1.00 0.00 H new ATOM 855 N HIS A 55 -6.409 -6.245 -4.324 1.00 0.00 N ATOM 856 CA HIS A 55 -6.915 -5.951 -5.664 1.00 0.00 C ATOM 857 C HIS A 55 -7.433 -4.526 -5.715 1.00 0.00 C ATOM 858 O HIS A 55 -7.423 -3.822 -4.706 1.00 0.00 O ATOM 859 CB HIS A 55 -8.022 -6.927 -6.107 1.00 0.00 C ATOM 860 CG HIS A 55 -9.144 -7.110 -5.125 1.00 0.00 C ATOM 861 ND1 HIS A 55 -9.159 -7.707 -3.916 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 -10.440 -6.698 -5.360 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 -10.445 -7.653 -3.443 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 -11.198 -7.038 -4.336 1.00 0.00 N flip ATOM 0 H HIS A 55 -6.591 -5.507 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.083 -6.073 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.440 -6.574 -7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.570 -7.899 -6.303 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.359 -8.123 -3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.780 -6.179 -6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.785 -8.048 -2.497 1.00 0.00 H new ATOM 873 N SER A 56 -7.868 -4.104 -6.885 1.00 0.00 N ATOM 874 CA SER A 56 -8.390 -2.758 -7.067 1.00 0.00 C ATOM 875 C SER A 56 -9.868 -2.681 -6.683 1.00 0.00 C ATOM 876 O SER A 56 -10.614 -3.650 -6.845 1.00 0.00 O ATOM 877 CB SER A 56 -8.188 -2.321 -8.519 1.00 0.00 C ATOM 878 OG SER A 56 -8.622 -3.327 -9.420 1.00 0.00 O ATOM 0 H SER A 56 -7.872 -4.675 -7.730 1.00 0.00 H new ATOM 0 HA SER A 56 -7.844 -2.082 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.740 -1.399 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.134 -2.102 -8.693 1.00 0.00 H new ATOM 0 HG SER A 56 -8.484 -3.023 -10.341 1.00 0.00 H new ATOM 884 N CYS A 57 -10.275 -1.534 -6.150 1.00 0.00 N ATOM 885 CA CYS A 57 -11.670 -1.287 -5.815 1.00 0.00 C ATOM 886 C CYS A 57 -11.995 0.192 -5.986 1.00 0.00 C ATOM 887 O CYS A 57 -11.094 1.007 -6.218 1.00 0.00 O ATOM 888 CB CYS A 57 -11.956 -1.710 -4.380 1.00 0.00 C ATOM 889 SG CYS A 57 -10.885 -0.893 -3.153 1.00 0.00 S ATOM 0 H CYS A 57 -9.651 -0.755 -5.940 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.295 -1.874 -6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.997 -1.489 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.832 -2.790 -4.297 1.00 0.00 H new ATOM 894 N ALA A 58 -13.279 0.531 -5.880 1.00 0.00 N ATOM 895 CA ALA A 58 -13.745 1.909 -6.014 1.00 0.00 C ATOM 896 C ALA A 58 -13.361 2.478 -7.375 1.00 0.00 C ATOM 897 O ALA A 58 -12.992 3.649 -7.487 1.00 0.00 O ATOM 898 CB ALA A 58 -13.194 2.780 -4.885 1.00 0.00 C ATOM 0 H ALA A 58 -14.024 -0.142 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.833 1.909 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.554 3.802 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.530 2.387 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.105 2.773 -4.919 1.00 0.00 H new ATOM 904 N ASN A 59 -13.451 1.630 -8.402 1.00 0.00 N ATOM 905 CA ASN A 59 -13.035 1.991 -9.761 1.00 0.00 C ATOM 906 C ASN A 59 -11.541 2.282 -9.788 1.00 0.00 C ATOM 907 O ASN A 59 -11.075 3.173 -10.495 1.00 0.00 O ATOM 908 CB ASN A 59 -13.833 3.188 -10.299 1.00 0.00 C ATOM 909 CG ASN A 59 -15.222 2.798 -10.769 1.00 0.00 C ATOM 910 OD1 ASN A 59 -16.176 2.771 -9.989 1.00 0.00 O ATOM 911 ND2 ASN A 59 -15.351 2.497 -12.052 1.00 0.00 N ATOM 0 H ASN A 59 -13.812 0.680 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.243 1.144 -10.415 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.916 3.945 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.287 3.642 -11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.263 2.232 -12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.539 2.530 -12.668 1.00 0.00 H new ATOM 918 N ASN A 60 -10.809 1.506 -8.996 1.00 0.00 N ATOM 919 CA ASN A 60 -9.360 1.633 -8.852 1.00 0.00 C ATOM 920 C ASN A 60 -8.972 3.030 -8.371 1.00 0.00 C ATOM 921 O ASN A 60 -7.924 3.566 -8.727 1.00 0.00 O ATOM 922 CB ASN A 60 -8.643 1.276 -10.157 1.00 0.00 C ATOM 923 CG ASN A 60 -7.134 1.152 -9.998 1.00 0.00 C ATOM 924 OD1 ASN A 60 -6.669 0.781 -8.807 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -6.387 1.400 -10.942 1.00 0.00 N flip ATOM 0 H ASN A 60 -11.210 0.760 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.038 0.922 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.040 0.335 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.862 2.039 -10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.778 1.682 -11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.376 1.324 -10.826 1.00 0.00 H new ATOM 932 N ARG A 61 -9.829 3.626 -7.563 1.00 0.00 N ATOM 933 CA ARG A 61 -9.473 4.849 -6.870 1.00 0.00 C ATOM 934 C ARG A 61 -8.849 4.488 -5.535 1.00 0.00 C ATOM 935 O ARG A 61 -8.123 5.276 -4.932 1.00 0.00 O ATOM 936 CB ARG A 61 -10.690 5.753 -6.676 1.00 0.00 C ATOM 937 CG ARG A 61 -11.204 6.349 -7.976 1.00 0.00 C ATOM 938 CD ARG A 61 -12.366 7.295 -7.732 1.00 0.00 C ATOM 939 NE ARG A 61 -13.513 6.612 -7.141 1.00 0.00 N ATOM 940 CZ ARG A 61 -14.431 7.221 -6.390 1.00 0.00 C ATOM 941 NH1 ARG A 61 -14.302 8.507 -6.092 1.00 0.00 N ATOM 942 NH2 ARG A 61 -15.468 6.539 -5.928 1.00 0.00 N ATOM 0 H ARG A 61 -10.771 3.285 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.755 5.407 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.489 5.180 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.430 6.560 -5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.397 6.884 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.519 5.548 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.045 8.101 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.664 7.754 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.618 5.612 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.499 9.033 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.006 8.970 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.565 5.547 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.170 7.005 -5.353 1.00 0.00 H new ATOM 956 N GLY A 62 -9.121 3.267 -5.099 1.00 0.00 N ATOM 957 CA GLY A 62 -8.548 2.758 -3.878 1.00 0.00 C ATOM 958 C GLY A 62 -8.066 1.336 -4.045 1.00 0.00 C ATOM 959 O GLY A 62 -8.556 0.602 -4.906 1.00 0.00 O ATOM 0 H GLY A 62 -9.739 2.614 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.716 3.392 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.290 2.801 -3.081 1.00 0.00 H new ATOM 963 N TRP A 63 -7.079 0.967 -3.259 1.00 0.00 N ATOM 964 CA TRP A 63 -6.552 -0.388 -3.275 1.00 0.00 C ATOM 965 C TRP A 63 -7.072 -1.200 -2.084 1.00 0.00 C ATOM 966 O TRP A 63 -7.206 -0.681 -0.978 1.00 0.00 O ATOM 967 CB TRP A 63 -5.022 -0.346 -3.261 1.00 0.00 C ATOM 968 CG TRP A 63 -4.400 -1.700 -3.361 1.00 0.00 C ATOM 969 CD1 TRP A 63 -3.887 -2.441 -2.340 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.240 -2.478 -4.549 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.414 -3.636 -2.817 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.621 -3.683 -4.177 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.565 -2.269 -5.891 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.319 -4.679 -5.107 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.267 -3.253 -6.808 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.652 -4.445 -6.416 1.00 0.00 C ATOM 0 H TRP A 63 -6.619 1.589 -2.594 1.00 0.00 H new ATOM 0 HA TRP A 63 -6.892 -0.879 -4.187 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.673 0.270 -4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.686 0.135 -2.343 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -3.857 -2.132 -1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.980 -4.369 -2.256 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.042 -1.352 -6.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.841 -5.600 -4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.513 -3.100 -7.848 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.435 -5.197 -7.160 1.00 0.00 H new ATOM 987 N CYS A 64 -7.369 -2.471 -2.325 1.00 0.00 N ATOM 988 CA CYS A 64 -7.806 -3.383 -1.269 1.00 0.00 C ATOM 989 C CYS A 64 -6.631 -3.909 -0.472 1.00 0.00 C ATOM 990 O CYS A 64 -5.792 -4.633 -1.007 1.00 0.00 O ATOM 991 CB CYS A 64 -8.565 -4.564 -1.863 1.00 0.00 C ATOM 992 SG CYS A 64 -10.176 -4.129 -2.586 1.00 0.00 S ATOM 0 H CYS A 64 -7.315 -2.899 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.460 -2.818 -0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.948 -5.028 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.719 -5.311 -1.084 1.00 0.00 H new ATOM 997 N ARG A 65 -6.593 -3.558 0.804 1.00 0.00 N ATOM 998 CA ARG A 65 -5.571 -4.051 1.716 1.00 0.00 C ATOM 999 C ARG A 65 -6.224 -4.596 2.983 1.00 0.00 C ATOM 1000 O ARG A 65 -7.398 -4.326 3.236 1.00 0.00 O ATOM 1001 CB ARG A 65 -4.585 -2.941 2.086 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.188 -3.157 1.553 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.154 -2.521 2.467 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.798 -2.829 2.027 1.00 0.00 N ATOM 1005 CZ ARG A 65 0.006 -3.710 2.623 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.375 -4.314 3.739 1.00 0.00 N ATOM 1007 NH2 ARG A 65 1.199 -3.980 2.107 1.00 0.00 N ATOM 0 H ARG A 65 -7.267 -2.926 1.236 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.023 -4.848 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.964 -1.992 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.540 -2.857 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.990 -4.225 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.106 -2.731 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.296 -1.440 2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.298 -2.878 3.487 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.441 -2.337 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.287 -4.106 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.244 -4.987 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.503 -3.513 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.812 -4.654 2.565 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.495 -5.385 3.792 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.003 -5.845 5.082 1.00 0.00 C ATOM 1023 C PRO A 66 -6.088 -4.690 6.079 1.00 0.00 C ATOM 1024 O PRO A 66 -6.981 -4.647 6.926 1.00 0.00 O ATOM 1025 CB PRO A 66 -4.981 -6.892 5.548 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.060 -7.117 4.396 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.146 -5.899 3.521 1.00 0.00 C ATOM 0 HA PRO A 66 -7.010 -6.254 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.433 -6.539 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.477 -7.819 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.038 -7.271 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.346 -8.011 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.378 -5.167 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.015 -6.149 2.468 1.00 0.00 H new ATOM 1035 N THR A 67 -5.155 -3.749 5.951 1.00 0.00 N ATOM 1036 CA THR A 67 -5.120 -2.561 6.793 1.00 0.00 C ATOM 1037 C THR A 67 -4.685 -1.354 5.956 1.00 0.00 C ATOM 1038 O THR A 67 -3.892 -1.499 5.024 1.00 0.00 O ATOM 1039 CB THR A 67 -4.149 -2.748 7.975 1.00 0.00 C ATOM 1040 OG1 THR A 67 -4.310 -4.059 8.539 1.00 0.00 O ATOM 1041 CG2 THR A 67 -4.401 -1.707 9.056 1.00 0.00 C ATOM 0 H THR A 67 -4.405 -3.791 5.261 1.00 0.00 H new ATOM 0 HA THR A 67 -6.119 -2.394 7.194 1.00 0.00 H new ATOM 0 HB THR A 67 -3.133 -2.628 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.689 -4.171 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.703 -1.861 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.258 -0.709 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.422 -1.804 9.424 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.195 -0.177 6.296 1.00 0.00 N ATOM 1050 CA CYS A 68 -4.984 1.026 5.487 1.00 0.00 C ATOM 1051 C CYS A 68 -3.995 1.992 6.139 1.00 0.00 C ATOM 1052 O CYS A 68 -3.797 1.968 7.355 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.324 1.720 5.264 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.500 0.731 4.282 1.00 0.00 S ATOM 0 H CYS A 68 -5.761 -0.025 7.131 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.554 0.721 4.533 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.772 1.948 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.152 2.671 4.760 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.380 2.843 5.317 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.397 3.817 5.792 1.00 0.00 C ATOM 1061 C PHE A 69 -3.023 5.201 5.956 1.00 0.00 C ATOM 1062 O PHE A 69 -4.119 5.465 5.468 1.00 0.00 O ATOM 1063 CB PHE A 69 -1.217 3.908 4.818 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.461 2.622 4.659 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -0.614 1.844 3.522 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.405 2.193 5.648 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.086 0.663 3.377 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.105 1.014 5.509 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.947 0.246 4.372 1.00 0.00 C ATOM 0 H PHE A 69 -3.547 2.877 4.311 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.042 3.476 6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.587 4.224 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.531 4.681 5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.288 2.165 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.534 2.789 6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.040 0.066 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.778 0.690 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.495 -0.678 4.262 1.00 0.00 H new ATOM 1079 N SER A 70 -2.306 6.085 6.635 1.00 0.00 N ATOM 1080 CA SER A 70 -2.794 7.433 6.908 1.00 0.00 C ATOM 1081 C SER A 70 -2.636 8.330 5.677 1.00 0.00 C ATOM 1082 O SER A 70 -1.610 8.992 5.507 1.00 0.00 O ATOM 1083 CB SER A 70 -2.045 8.019 8.106 1.00 0.00 C ATOM 1084 OG SER A 70 -2.125 7.148 9.226 1.00 0.00 O ATOM 0 H SER A 70 -1.377 5.893 7.010 1.00 0.00 H new ATOM 0 HA SER A 70 -3.856 7.381 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.000 8.184 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.466 8.991 8.364 1.00 0.00 H new ATOM 0 HG SER A 70 -1.638 7.540 9.981 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.686 8.350 4.849 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.709 9.008 3.539 1.00 0.00 C ATOM 1092 C HIS A 71 -4.799 8.322 2.732 1.00 0.00 C ATOM 1093 O HIS A 71 -5.153 8.733 1.630 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.346 8.967 2.791 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.959 7.644 2.189 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -1.007 7.519 1.201 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.407 6.396 2.426 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.900 6.251 0.854 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.742 5.542 1.583 1.00 0.00 N ATOM 0 H HIS A 71 -4.569 7.895 5.079 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.910 10.071 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.369 9.712 1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.564 9.269 3.487 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.469 8.287 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.157 6.117 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.235 5.858 0.099 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.875 4.532 1.529 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.296 7.238 3.324 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.451 6.516 2.840 1.00 0.00 C ATOM 1110 C GLU A 72 -7.281 6.098 4.056 1.00 0.00 C ATOM 1111 O GLU A 72 -6.851 6.296 5.200 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.999 5.300 2.026 1.00 0.00 C ATOM 1113 CG GLU A 72 -5.235 4.286 2.854 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.143 3.571 2.085 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.591 2.595 2.621 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.807 4.006 0.967 1.00 0.00 O ATOM 0 H GLU A 72 -4.893 6.836 4.170 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.057 7.140 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.873 4.818 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.371 5.635 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.792 4.791 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.935 3.548 3.245 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.461 5.550 3.830 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.318 5.116 4.924 1.00 0.00 C ATOM 1125 C TYR A 73 -10.069 3.854 4.554 1.00 0.00 C ATOM 1126 O TYR A 73 -10.107 3.458 3.389 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.322 6.211 5.301 1.00 0.00 C ATOM 1128 CG TYR A 73 -11.140 6.722 4.136 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -12.235 6.014 3.658 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.807 7.914 3.514 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.973 6.479 2.588 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -11.539 8.390 2.448 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.621 7.669 1.984 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.349 8.134 0.911 1.00 0.00 O ATOM 0 H TYR A 73 -8.850 5.394 2.900 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.676 4.911 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.997 5.824 6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.783 7.046 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.514 5.084 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.959 8.480 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.820 5.915 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.267 9.323 1.977 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.971 8.984 0.603 1.00 0.00 H new ATOM 1144 N THR A 74 -10.674 3.242 5.557 1.00 0.00 N ATOM 1145 CA THR A 74 -11.487 2.062 5.361 1.00 0.00 C ATOM 1146 C THR A 74 -12.837 2.427 4.755 1.00 0.00 C ATOM 1147 O THR A 74 -13.754 2.843 5.467 1.00 0.00 O ATOM 1148 CB THR A 74 -11.724 1.330 6.695 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.465 0.996 7.296 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.545 0.067 6.482 1.00 0.00 C ATOM 0 H THR A 74 -10.614 3.551 6.527 1.00 0.00 H new ATOM 0 HA THR A 74 -10.947 1.406 4.678 1.00 0.00 H new ATOM 0 HB THR A 74 -12.279 1.993 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.460 1.291 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.699 -0.432 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.511 0.329 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.014 -0.602 5.805 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.949 2.302 3.444 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.236 2.451 2.792 1.00 0.00 C ATOM 1160 C ASP A 75 -14.987 1.132 2.887 1.00 0.00 C ATOM 1161 O ASP A 75 -14.545 0.115 2.344 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.080 2.870 1.330 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.417 3.033 0.640 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.004 4.135 0.718 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.887 2.055 0.027 1.00 0.00 O ATOM 0 H ASP A 75 -12.171 2.100 2.816 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.797 3.239 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.529 3.809 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.488 2.124 0.800 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.097 1.148 3.608 1.00 0.00 N ATOM 1171 CA TRP A 76 -16.851 -0.064 3.894 1.00 0.00 C ATOM 1172 C TRP A 76 -17.732 -0.489 2.719 1.00 0.00 C ATOM 1173 O TRP A 76 -18.106 -1.659 2.609 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.681 0.127 5.160 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.844 0.154 6.402 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.384 1.254 7.067 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.346 -0.982 7.117 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.650 0.870 8.162 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.609 -0.498 8.211 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.459 -2.361 6.939 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -14.986 -1.345 9.122 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -15.840 -3.201 7.841 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.111 -2.692 8.921 1.00 0.00 C ATOM 0 H TRP A 76 -16.499 1.995 4.009 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.136 -0.871 4.055 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.242 1.059 5.085 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.411 -0.679 5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.570 2.277 6.774 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.207 1.501 8.830 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.021 -2.764 6.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.424 -0.953 9.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.919 -4.270 7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -14.638 -3.376 9.610 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.038 0.450 1.834 1.00 0.00 N ATOM 1195 CA PHE A 77 -18.815 0.148 0.637 1.00 0.00 C ATOM 1196 C PHE A 77 -18.033 -0.793 -0.274 1.00 0.00 C ATOM 1197 O PHE A 77 -18.504 -1.873 -0.650 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.159 1.441 -0.110 1.00 0.00 C ATOM 1199 CG PHE A 77 -19.868 1.222 -1.416 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -19.223 1.463 -2.618 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -21.175 0.772 -1.439 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -19.870 1.262 -3.820 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -21.829 0.570 -2.639 1.00 0.00 C ATOM 1204 CZ PHE A 77 -21.176 0.815 -3.831 1.00 0.00 C ATOM 0 H PHE A 77 -17.761 1.428 1.921 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.742 -0.342 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.784 2.063 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.240 1.997 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -18.201 1.813 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -21.690 0.576 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -19.356 1.454 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -22.851 0.221 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 77 -21.686 0.657 -4.770 1.00 0.00 H new ATOM 1214 N ASN A 78 -16.825 -0.389 -0.610 1.00 0.00 N ATOM 1215 CA ASN A 78 -15.970 -1.201 -1.453 1.00 0.00 C ATOM 1216 C ASN A 78 -15.282 -2.277 -0.620 1.00 0.00 C ATOM 1217 O ASN A 78 -14.669 -3.193 -1.148 1.00 0.00 O ATOM 1218 CB ASN A 78 -14.953 -0.333 -2.186 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.605 0.669 -3.121 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -15.848 0.380 -4.295 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -15.903 1.853 -2.605 1.00 0.00 N ATOM 0 H ASN A 78 -16.413 0.496 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.585 -1.694 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.343 0.200 -1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.280 -0.972 -2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.350 2.564 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.686 2.053 -1.629 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.401 -2.167 0.697 1.00 0.00 N ATOM 1229 CA ASN A 79 -14.991 -3.244 1.593 1.00 0.00 C ATOM 1230 C ASN A 79 -15.901 -4.447 1.355 1.00 0.00 C ATOM 1231 O ASN A 79 -15.545 -5.590 1.619 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.095 -2.768 3.048 1.00 0.00 C ATOM 1233 CG ASN A 79 -14.419 -3.670 4.066 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -14.344 -4.883 3.908 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -13.923 -3.065 5.132 1.00 0.00 N ATOM 0 H ASN A 79 -15.777 -1.345 1.169 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.957 -3.529 1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.659 -1.772 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.149 -2.675 3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.459 -3.610 5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.005 -2.053 5.228 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.074 -4.174 0.797 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.047 -5.212 0.515 1.00 0.00 C ATOM 1244 C ASP A 80 -17.707 -5.888 -0.801 1.00 0.00 C ATOM 1245 O ASP A 80 -17.890 -7.095 -0.956 1.00 0.00 O ATOM 1246 CB ASP A 80 -19.460 -4.627 0.470 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.498 -5.632 0.013 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.883 -5.592 -1.174 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.930 -6.462 0.839 1.00 0.00 O ATOM 0 H ASP A 80 -17.372 -3.235 0.531 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.014 -5.954 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.728 -4.260 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.472 -3.769 -0.202 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.183 -5.105 -1.740 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.771 -5.651 -3.025 1.00 0.00 C ATOM 1256 C VAL A 81 -15.504 -6.491 -2.864 1.00 0.00 C ATOM 1257 O VAL A 81 -15.205 -7.352 -3.689 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.545 -4.546 -4.090 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -17.672 -3.526 -4.066 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.191 -3.863 -3.942 1.00 0.00 C ATOM 0 H VAL A 81 -17.036 -4.101 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.585 -6.284 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.547 -5.040 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.488 -2.763 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.618 -4.024 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.719 -3.058 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.083 -3.098 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.123 -3.400 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.397 -4.602 -4.051 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.766 -6.234 -1.791 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.566 -6.998 -1.487 1.00 0.00 C ATOM 1272 C CYS A 82 -13.879 -8.154 -0.543 1.00 0.00 C ATOM 1273 O CYS A 82 -13.237 -9.202 -0.595 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.501 -6.093 -0.870 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.042 -4.679 -1.920 1.00 0.00 S ATOM 0 H CYS A 82 -14.980 -5.500 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.184 -7.410 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -12.865 -5.720 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.609 -6.685 -0.664 1.00 0.00 H new ATOM 1280 N GLY A 83 -14.859 -7.953 0.327 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.286 -9.005 1.225 1.00 0.00 C ATOM 1282 C GLY A 83 -14.400 -9.125 2.448 1.00 0.00 C ATOM 1283 O GLY A 83 -14.821 -8.809 3.560 1.00 0.00 O ATOM 0 H GLY A 83 -15.368 -7.075 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.311 -8.813 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.290 -9.955 0.690 1.00 0.00 H new ATOM 1287 N SER A 84 -13.172 -9.579 2.241 1.00 0.00 N ATOM 1288 CA SER A 84 -12.236 -9.760 3.340 1.00 0.00 C ATOM 1289 C SER A 84 -11.401 -8.499 3.560 1.00 0.00 C ATOM 1290 O SER A 84 -11.283 -8.010 4.685 1.00 0.00 O ATOM 1291 CB SER A 84 -11.328 -10.957 3.058 1.00 0.00 C ATOM 1292 OG SER A 84 -12.097 -12.101 2.724 1.00 0.00 O ATOM 0 H SER A 84 -12.802 -9.828 1.324 1.00 0.00 H new ATOM 0 HA SER A 84 -12.804 -9.950 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.647 -10.719 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.714 -11.168 3.933 1.00 0.00 H new ATOM 0 HG SER A 84 -11.499 -12.856 2.545 1.00 0.00 H new ATOM 1298 N TYR A 85 -10.824 -7.978 2.486 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.018 -6.768 2.571 1.00 0.00 C ATOM 1300 C TYR A 85 -10.879 -5.523 2.602 1.00 0.00 C ATOM 1301 O TYR A 85 -11.997 -5.504 2.091 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.044 -6.677 1.397 1.00 0.00 C ATOM 1303 CG TYR A 85 -7.789 -7.487 1.590 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -6.722 -7.369 0.711 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.662 -8.364 2.659 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -5.580 -8.101 0.888 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.513 -9.098 2.844 1.00 0.00 C ATOM 1308 CZ TYR A 85 -5.472 -8.966 1.955 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.333 -9.719 2.124 1.00 0.00 O ATOM 0 H TYR A 85 -10.899 -8.373 1.548 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.457 -6.827 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.548 -7.014 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.772 -5.633 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.794 -6.689 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.479 -8.472 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.762 -8.001 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.429 -9.774 3.682 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.563 -9.235 1.758 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.336 -4.486 3.206 1.00 0.00 N ATOM 1320 CA ARG A 86 -10.993 -3.202 3.257 1.00 0.00 C ATOM 1321 C ARG A 86 -10.506 -2.346 2.104 1.00 0.00 C ATOM 1322 O ARG A 86 -9.346 -2.448 1.693 1.00 0.00 O ATOM 1323 CB ARG A 86 -10.714 -2.509 4.591 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.239 -2.266 4.873 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.021 -1.712 6.273 1.00 0.00 C ATOM 1326 NE ARG A 86 -9.256 -2.720 7.306 1.00 0.00 N ATOM 1327 CZ ARG A 86 -9.650 -2.444 8.551 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -9.944 -1.197 8.905 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -9.771 -3.424 9.438 1.00 0.00 N ATOM 0 H ARG A 86 -9.430 -4.512 3.673 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.070 -3.346 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.237 -1.553 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.131 -3.114 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.688 -3.200 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.838 -1.568 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.001 -1.336 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.688 -0.865 6.435 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.109 -3.699 7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.869 -0.442 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.244 -0.995 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.563 -4.385 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.072 -3.216 10.390 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.383 -1.515 1.572 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.007 -0.667 0.463 1.00 0.00 C ATOM 1345 C CYS A 87 -10.327 0.582 0.977 1.00 0.00 C ATOM 1346 O CYS A 87 -10.951 1.405 1.649 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.220 -0.288 -0.371 1.00 0.00 C ATOM 1348 SG CYS A 87 -11.802 0.641 -1.885 1.00 0.00 S ATOM 0 H CYS A 87 -12.348 -1.411 1.887 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.316 -1.222 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -12.758 -1.195 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -12.897 0.311 0.238 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.051 0.710 0.680 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.284 1.856 1.112 1.00 0.00 C ATOM 1355 C CYS A 88 -8.518 3.032 0.175 1.00 0.00 C ATOM 1356 O CYS A 88 -7.786 3.239 -0.796 1.00 0.00 O ATOM 1357 CB CYS A 88 -6.805 1.490 1.191 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.463 0.161 2.395 1.00 0.00 S ATOM 0 H CYS A 88 -8.521 0.028 0.137 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.613 2.156 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.461 1.177 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.231 2.376 1.463 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.568 3.781 0.466 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.937 4.945 -0.323 1.00 0.00 C ATOM 1365 C ARG A 89 -9.200 6.177 0.183 1.00 0.00 C ATOM 1366 O ARG A 89 -9.152 6.423 1.381 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.447 5.164 -0.250 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.239 4.394 -1.287 1.00 0.00 C ATOM 1369 CD ARG A 89 -12.368 5.187 -2.572 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.990 6.489 -2.341 1.00 0.00 N ATOM 1371 CZ ARG A 89 -14.293 6.739 -2.492 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -15.132 5.766 -2.830 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -14.757 7.962 -2.286 1.00 0.00 N ATOM 0 H ARG A 89 -10.188 3.600 1.255 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.655 4.774 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.796 4.879 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.654 6.228 -0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.749 3.442 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.230 4.165 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.382 5.328 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.962 4.622 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.389 7.258 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.782 4.819 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.126 5.966 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.120 8.710 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.752 8.156 -2.401 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.601 6.945 -0.738 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.808 8.148 -0.422 1.00 0.00 C ATOM 1389 C PRO A 90 -8.488 9.108 0.548 1.00 0.00 C ATOM 1390 O PRO A 90 -9.639 9.500 0.350 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.662 8.810 -1.785 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.632 7.666 -2.728 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.634 6.689 -2.189 1.00 0.00 C ATOM 0 HA PRO A 90 -6.874 7.886 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.495 9.481 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.750 9.404 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.893 7.981 -3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.637 7.223 -2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.627 6.858 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.361 5.660 -2.423 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.751 9.492 1.580 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.255 10.424 2.562 1.00 0.00 C ATOM 1403 C GLY A 91 -8.033 9.943 3.976 1.00 0.00 C ATOM 1404 O GLY A 91 -6.957 9.432 4.327 1.00 0.00 O ATOM 0 H GLY A 91 -6.800 9.168 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.766 11.389 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.321 10.581 2.397 1.00 0.00 H new ATOM 1408 N ARG A 92 -9.058 10.110 4.787 1.00 0.00 N ATOM 1409 CA ARG A 92 -9.047 9.605 6.138 1.00 0.00 C ATOM 1410 C ARG A 92 -10.475 9.458 6.645 1.00 0.00 C ATOM 1411 O ARG A 92 -10.787 8.506 7.356 1.00 0.00 O ATOM 1412 CB ARG A 92 -8.240 10.517 7.049 1.00 0.00 C ATOM 1413 CG ARG A 92 -7.732 9.802 8.279 1.00 0.00 C ATOM 1414 CD ARG A 92 -6.760 8.693 7.907 1.00 0.00 C ATOM 1415 NE ARG A 92 -6.232 7.998 9.076 1.00 0.00 N ATOM 1416 CZ ARG A 92 -5.836 6.727 9.072 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -5.941 5.990 7.970 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -5.339 6.191 10.175 1.00 0.00 N ATOM 0 H ARG A 92 -9.916 10.597 4.527 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.570 8.625 6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.395 10.924 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.858 11.362 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.239 10.515 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.572 9.383 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.263 7.976 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.934 9.115 7.335 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.162 8.518 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.327 6.398 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.635 5.017 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.261 6.751 11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.034 5.218 10.177 1.00 0.00 H new HETATM 1432 N AAR A 93 -11.324 10.415 6.265 1.00 0.00 N HETATM 1433 CA AAR A 93 -12.767 10.344 6.497 1.00 0.00 C HETATM 1434 CB AAR A 93 -13.376 9.318 5.538 1.00 0.00 C HETATM 1435 CG AAR A 93 -14.888 9.207 5.602 1.00 0.00 C HETATM 1436 CD AAR A 93 -15.408 8.206 4.582 1.00 0.00 C HETATM 1437 NE AAR A 93 -16.853 8.027 4.669 1.00 0.00 N HETATM 1438 CZ AAR A 93 -17.485 6.899 4.350 1.00 0.00 C HETATM 1439 NH1 AAR A 93 -18.802 6.819 4.474 1.00 0.00 N HETATM 1440 NH2 AAR A 93 -16.803 5.854 3.898 1.00 0.00 N HETATM 1441 C AAR A 93 -13.100 10.004 7.952 1.00 0.00 C HETATM 1442 O AAR A 93 -13.412 8.857 8.290 1.00 0.00 O HETATM 1443 NT AAR A 93 -13.037 11.003 8.814 1.00 0.00 N HETATM 0 HH22 AAR A 93 -17.292 4.992 3.655 1.00 0.00 H new HETATM 0 HH21 AAR A 93 -15.790 5.913 3.794 1.00 0.00 H new HETATM 0 HH12 AAR A 93 -19.286 5.955 4.230 1.00 0.00 H new HETATM 0 HH11 AAR A 93 -19.332 7.622 4.814 1.00 0.00 H new HETATM 0 HG3 AAR A 93 -15.191 8.901 6.603 1.00 0.00 H new HETATM 0 HG2 AAR A 93 -15.335 10.184 5.418 1.00 0.00 H new HETATM 0 HE AAR A 93 -17.414 8.814 4.994 1.00 0.00 H new HETATM 0 HD3 AAR A 93 -15.146 8.543 3.579 1.00 0.00 H new HETATM 0 HD2 AAR A 93 -14.915 7.246 4.735 1.00 0.00 H new HETATM 0 HB3 AAR A 93 -13.087 9.578 4.519 1.00 0.00 H new HETATM 0 HB2 AAR A 93 -12.944 8.340 5.752 1.00 0.00 H new HETATM 0 HA AAR A 93 -13.199 11.326 6.304 1.00 0.00 H new HETATM 0 H2 AAR A 93 -12.467 11.756 9.200 1.00 0.00 H new TER 1459 AAR A 93