USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= -0.0899 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.921 X(o=-0.86,f=-0.93) USER MOD Set 2.3: A 54 TYR OH : rot 180:sc= 0.156 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -133:sc= 1.12 (180deg=0.932) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.799 F(o=-1.9!,f=-0.8) USER MOD Single : A 16 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 100:sc= -2.11! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -41:sc= 1.09 USER MOD Single : A 39 CYS SG : rot -15:sc= -2.3 USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 1.13 (180deg=1.06) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.175 F(o=-2.1!,f=-0.18) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 50:sc= -0.908 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 5 4.484 -9.130 8.791 1.00 0.00 N ATOM 62 CA ALA A 5 3.580 -9.460 7.688 1.00 0.00 C ATOM 63 C ALA A 5 3.573 -8.331 6.656 1.00 0.00 C ATOM 64 O ALA A 5 3.526 -8.592 5.468 1.00 0.00 O ATOM 65 CB ALA A 5 2.183 -9.735 8.267 1.00 0.00 C ATOM 0 HA ALA A 5 3.918 -10.356 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.496 -9.983 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.237 -10.570 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.824 -8.848 8.789 1.00 0.00 H new ATOM 71 N VAL A 6 3.665 -7.074 7.102 1.00 0.00 N ATOM 72 CA VAL A 6 3.706 -5.902 6.224 1.00 0.00 C ATOM 73 C VAL A 6 4.992 -5.906 5.398 1.00 0.00 C ATOM 74 O VAL A 6 4.961 -5.564 4.227 1.00 0.00 O ATOM 75 CB VAL A 6 3.489 -4.582 7.002 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.769 -3.988 7.595 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.770 -3.533 6.150 1.00 0.00 C ATOM 0 H VAL A 6 3.714 -6.840 8.094 1.00 0.00 H new ATOM 0 HA VAL A 6 2.870 -5.965 5.527 1.00 0.00 H new ATOM 0 HB VAL A 6 2.854 -4.858 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.531 -3.065 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.213 -4.701 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.476 -3.775 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.637 -2.621 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.365 -3.314 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.795 -3.916 5.847 1.00 0.00 H new ATOM 87 N GLN A 7 6.103 -6.364 5.979 1.00 0.00 N ATOM 88 CA GLN A 7 7.388 -6.364 5.288 1.00 0.00 C ATOM 89 C GLN A 7 7.397 -7.361 4.139 1.00 0.00 C ATOM 90 O GLN A 7 7.630 -7.006 2.995 1.00 0.00 O ATOM 91 CB GLN A 7 8.525 -6.641 6.293 1.00 0.00 C ATOM 92 CG GLN A 7 9.945 -6.611 5.692 1.00 0.00 C ATOM 93 CD GLN A 7 10.276 -5.227 5.152 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.632 -4.827 4.086 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 10.989 -4.435 5.744 1.00 0.00 N flip ATOM 0 H GLN A 7 6.136 -6.739 6.927 1.00 0.00 H new ATOM 0 HA GLN A 7 7.551 -5.379 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.470 -5.904 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.359 -7.618 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.673 -6.893 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.021 -7.346 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.498 -4.731 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.077 -3.476 5.406 1.00 0.00 H new ATOM 104 N ASP A 8 7.065 -8.602 4.470 1.00 0.00 N ATOM 105 CA ASP A 8 6.819 -9.746 3.572 1.00 0.00 C ATOM 106 C ASP A 8 5.908 -9.355 2.404 1.00 0.00 C ATOM 107 O ASP A 8 6.321 -9.416 1.243 1.00 0.00 O ATOM 108 CB ASP A 8 6.178 -10.882 4.396 1.00 0.00 C ATOM 109 CG ASP A 8 5.789 -12.112 3.554 1.00 0.00 C ATOM 110 OD1 ASP A 8 4.818 -12.039 2.763 1.00 0.00 O ATOM 111 OD2 ASP A 8 6.464 -13.161 3.733 1.00 0.00 O1- ATOM 0 H ASP A 8 6.949 -8.866 5.448 1.00 0.00 H new ATOM 0 HA ASP A 8 7.766 -10.077 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.874 -11.191 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.289 -10.499 4.897 1.00 0.00 H new ATOM 116 N PHE A 9 4.710 -8.862 2.728 1.00 0.00 N ATOM 117 CA PHE A 9 3.739 -8.377 1.753 1.00 0.00 C ATOM 118 C PHE A 9 4.371 -7.324 0.839 1.00 0.00 C ATOM 119 O PHE A 9 4.249 -7.421 -0.381 1.00 0.00 O ATOM 120 CB PHE A 9 2.547 -7.745 2.481 1.00 0.00 C ATOM 121 CG PHE A 9 1.655 -7.013 1.495 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.807 -7.731 0.636 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.853 -5.633 1.288 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.174 -7.065 -0.429 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.244 -4.992 0.200 1.00 0.00 C ATOM 126 CZ PHE A 9 0.376 -5.697 -0.641 1.00 0.00 C ATOM 0 H PHE A 9 4.385 -8.789 3.692 1.00 0.00 H new ATOM 0 HA PHE A 9 3.407 -9.223 1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.975 -8.517 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.903 -7.052 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.642 -8.787 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.474 -5.069 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.476 -7.617 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.446 -3.948 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.134 -5.190 -1.447 1.00 0.00 H new ATOM 136 N VAL A 10 5.035 -6.323 1.435 1.00 0.00 N ATOM 137 CA VAL A 10 5.721 -5.251 0.703 1.00 0.00 C ATOM 138 C VAL A 10 6.721 -5.815 -0.309 1.00 0.00 C ATOM 139 O VAL A 10 6.617 -5.407 -1.454 1.00 0.00 O ATOM 140 CB VAL A 10 6.389 -4.221 1.644 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.435 -3.317 0.964 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.346 -3.310 2.319 1.00 0.00 C ATOM 0 H VAL A 10 5.111 -6.235 2.448 1.00 0.00 H new ATOM 0 HA VAL A 10 4.952 -4.713 0.149 1.00 0.00 H new ATOM 0 HB VAL A 10 6.906 -4.837 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.851 -2.627 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.234 -3.932 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.961 -2.751 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.852 -2.599 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.788 -2.767 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.658 -3.918 2.907 1.00 0.00 H new ATOM 152 N VAL A 11 7.598 -6.754 0.057 1.00 0.00 N ATOM 153 CA VAL A 11 8.537 -7.376 -0.915 1.00 0.00 C ATOM 154 C VAL A 11 7.911 -8.212 -2.018 1.00 0.00 C ATOM 155 O VAL A 11 8.558 -8.391 -3.054 1.00 0.00 O ATOM 156 CB VAL A 11 9.800 -8.056 -0.334 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.038 -7.182 -0.603 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.764 -8.198 1.188 1.00 0.00 C ATOM 0 H VAL A 11 7.687 -7.107 1.010 1.00 0.00 H new ATOM 0 HA VAL A 11 8.898 -6.467 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 11 9.838 -9.035 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.923 -7.668 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.164 -7.050 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.906 -6.208 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.679 -8.682 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.684 -7.211 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.904 -8.802 1.477 1.00 0.00 H new ATOM 168 N ASP A 12 6.679 -8.706 -1.848 1.00 0.00 N ATOM 169 CA ASP A 12 5.954 -9.268 -2.991 1.00 0.00 C ATOM 170 C ASP A 12 5.738 -8.211 -4.100 1.00 0.00 C ATOM 171 O ASP A 12 5.940 -8.508 -5.267 1.00 0.00 O ATOM 172 CB ASP A 12 4.626 -9.888 -2.527 1.00 0.00 C ATOM 173 CG ASP A 12 4.112 -11.053 -3.387 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.930 -11.412 -3.206 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.878 -11.695 -4.154 1.00 0.00 O1- ATOM 0 H ASP A 12 6.177 -8.729 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 12 6.562 -10.061 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.746 -10.239 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.866 -9.107 -2.509 1.00 0.00 H new ATOM 180 N ILE A 13 5.443 -6.949 -3.747 1.00 0.00 N ATOM 181 CA ILE A 13 5.402 -5.768 -4.651 1.00 0.00 C ATOM 182 C ILE A 13 6.834 -5.317 -4.950 1.00 0.00 C ATOM 183 O ILE A 13 7.097 -4.974 -6.092 1.00 0.00 O ATOM 184 CB ILE A 13 4.594 -4.629 -4.012 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.081 -4.923 -3.964 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.792 -3.377 -4.886 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.621 -6.039 -3.023 1.00 0.00 C ATOM 0 H ILE A 13 5.215 -6.704 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 13 4.910 -6.041 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 13 4.945 -4.501 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.566 -4.005 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.752 -5.173 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.231 -2.545 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.851 -3.121 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.435 -3.578 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.538 -6.143 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.093 -6.978 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.904 -5.792 -2.000 1.00 0.00 H new ATOM 199 N LEU A 14 7.738 -5.273 -3.971 1.00 0.00 N ATOM 200 CA LEU A 14 8.954 -4.478 -4.092 1.00 0.00 C ATOM 201 C LEU A 14 9.966 -5.125 -5.045 1.00 0.00 C ATOM 202 O LEU A 14 10.400 -4.508 -6.014 1.00 0.00 O ATOM 203 CB LEU A 14 9.568 -4.241 -2.693 1.00 0.00 C ATOM 204 CG LEU A 14 10.020 -2.791 -2.438 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.889 -2.741 -1.172 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.784 -2.165 -3.611 1.00 0.00 C ATOM 0 H LEU A 14 7.649 -5.778 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 14 8.690 -3.514 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.836 -4.520 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.424 -4.904 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 14 9.112 -2.201 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.209 -1.715 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.310 -3.096 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.765 -3.376 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.069 -1.144 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.680 -2.751 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.147 -2.154 -4.496 1.00 0.00 H new ATOM 218 N LEU A 15 10.331 -6.388 -4.780 1.00 0.00 N ATOM 219 CA LEU A 15 11.347 -7.113 -5.553 1.00 0.00 C ATOM 220 C LEU A 15 10.744 -8.149 -6.501 1.00 0.00 C ATOM 221 O LEU A 15 11.194 -8.270 -7.641 1.00 0.00 O ATOM 222 CB LEU A 15 12.355 -7.803 -4.615 1.00 0.00 C ATOM 223 CG LEU A 15 13.203 -6.848 -3.741 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.100 -7.671 -2.800 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.077 -5.901 -4.578 1.00 0.00 C ATOM 0 H LEU A 15 9.928 -6.936 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 15 11.857 -6.366 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.810 -8.482 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.029 -8.413 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 15 12.509 -6.232 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.697 -6.997 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.478 -8.294 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.761 -8.305 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.650 -5.254 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.760 -6.486 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.441 -5.291 -5.220 1.00 0.00 H new ATOM 237 N ASN A 16 9.703 -8.866 -6.059 1.00 0.00 N ATOM 238 CA ASN A 16 8.948 -9.801 -6.906 1.00 0.00 C ATOM 239 C ASN A 16 7.916 -9.069 -7.808 1.00 0.00 C ATOM 240 O ASN A 16 7.431 -9.630 -8.796 1.00 0.00 O ATOM 241 CB ASN A 16 8.275 -10.898 -6.056 1.00 0.00 C ATOM 242 CG ASN A 16 9.258 -11.678 -5.190 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.802 -12.699 -5.601 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.516 -11.189 -3.987 1.00 0.00 N ATOM 0 H ASN A 16 9.359 -8.814 -5.100 1.00 0.00 H new ATOM 0 HA ASN A 16 9.663 -10.283 -7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.521 -10.440 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.754 -11.591 -6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.181 -11.663 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.049 -10.339 -3.671 1.00 0.00 H new ATOM 251 N GLY A 17 7.641 -7.798 -7.507 1.00 0.00 N ATOM 252 CA GLY A 17 6.892 -6.862 -8.351 1.00 0.00 C ATOM 253 C GLY A 17 5.414 -6.753 -8.045 1.00 0.00 C ATOM 254 O GLY A 17 4.729 -7.688 -7.635 1.00 0.00 O ATOM 0 H GLY A 17 7.947 -7.374 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.340 -5.873 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.009 -7.164 -9.392 1.00 0.00 H new ATOM 258 N ALA A 18 4.860 -5.592 -8.358 1.00 0.00 N ATOM 259 CA ALA A 18 3.409 -5.416 -8.345 1.00 0.00 C ATOM 260 C ALA A 18 2.722 -6.311 -9.406 1.00 0.00 C ATOM 261 O ALA A 18 3.320 -7.106 -10.133 1.00 0.00 O ATOM 262 CB ALA A 18 3.097 -3.937 -8.609 1.00 0.00 C ATOM 0 H ALA A 18 5.386 -4.759 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 18 3.020 -5.715 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.018 -3.786 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.553 -3.324 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.498 -3.648 -9.580 1.00 0.00 H new ATOM 268 N ARG A 19 1.397 -6.183 -9.474 1.00 0.00 N ATOM 269 CA ARG A 19 0.613 -6.510 -10.671 1.00 0.00 C ATOM 270 C ARG A 19 0.959 -5.534 -11.812 1.00 0.00 C ATOM 271 O ARG A 19 2.071 -5.026 -11.899 1.00 0.00 O ATOM 272 CB ARG A 19 -0.897 -6.606 -10.346 1.00 0.00 C ATOM 273 CG ARG A 19 -1.419 -7.661 -9.350 1.00 0.00 C ATOM 274 CD ARG A 19 -0.660 -8.975 -8.981 1.00 0.00 C ATOM 275 NE ARG A 19 0.811 -8.890 -8.757 1.00 0.00 N ATOM 276 CZ ARG A 19 1.663 -9.941 -8.672 1.00 0.00 C ATOM 277 NH1 ARG A 19 1.293 -11.207 -8.571 1.00 0.00 N ATOM 278 NH2 ARG A 19 2.952 -9.736 -8.578 1.00 0.00 N ATOM 0 H ARG A 19 0.831 -5.847 -8.695 1.00 0.00 H new ATOM 0 HA ARG A 19 0.885 -7.504 -11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.208 -5.630 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.419 -6.768 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.586 -7.134 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.396 -7.970 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.113 -9.381 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.836 -9.698 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 19 1.213 -7.958 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.302 -11.449 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.998 -11.941 -8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.318 -8.784 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.591 -10.528 -8.514 1.00 0.00 H new ATOM 292 N ASP A 20 -0.013 -5.317 -12.668 1.00 0.00 N ATOM 293 CA ASP A 20 -0.062 -4.266 -13.710 1.00 0.00 C ATOM 294 C ASP A 20 0.206 -2.806 -13.227 1.00 0.00 C ATOM 295 O ASP A 20 0.049 -1.844 -13.981 1.00 0.00 O ATOM 296 CB ASP A 20 -1.452 -4.418 -14.348 1.00 0.00 C ATOM 297 CG ASP A 20 -1.512 -4.286 -15.878 1.00 0.00 C ATOM 298 OD1 ASP A 20 -0.811 -5.027 -16.604 1.00 0.00 O ATOM 299 OD2 ASP A 20 -2.432 -3.603 -16.369 1.00 0.00 O1- ATOM 0 H ASP A 20 -0.853 -5.896 -12.672 1.00 0.00 H new ATOM 0 HA ASP A 20 0.759 -4.415 -14.412 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.851 -5.394 -14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.113 -3.668 -13.913 1.00 0.00 H new ATOM 304 N TRP A 21 0.519 -2.609 -11.931 1.00 0.00 N ATOM 305 CA TRP A 21 0.957 -1.352 -11.337 1.00 0.00 C ATOM 306 C TRP A 21 2.441 -1.042 -11.642 1.00 0.00 C ATOM 307 O TRP A 21 3.237 -1.916 -11.992 1.00 0.00 O ATOM 308 CB TRP A 21 0.720 -1.360 -9.800 1.00 0.00 C ATOM 309 CG TRP A 21 -0.673 -1.624 -9.273 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.575 -2.529 -9.714 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.392 -0.902 -8.224 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.766 -2.423 -9.076 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.765 -1.320 -8.242 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.019 0.108 -7.325 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.733 -0.702 -7.442 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.971 0.745 -6.526 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.303 0.321 -6.576 1.00 0.00 C ATOM 0 H TRP A 21 0.467 -3.364 -11.247 1.00 0.00 H new ATOM 0 HA TRP A 21 0.357 -0.563 -11.791 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.382 -2.111 -9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.040 -0.393 -9.413 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.370 -3.254 -10.487 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.550 -3.064 -9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.019 0.397 -7.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.770 -0.999 -7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.681 1.557 -5.876 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.026 0.795 -5.928 1.00 0.00 H new ATOM 328 N ASP A 22 2.814 0.204 -11.369 1.00 0.00 N ATOM 329 CA ASP A 22 4.216 0.569 -11.206 1.00 0.00 C ATOM 330 C ASP A 22 4.648 0.117 -9.805 1.00 0.00 C ATOM 331 O ASP A 22 3.805 -0.097 -8.928 1.00 0.00 O ATOM 332 CB ASP A 22 4.443 2.070 -11.429 1.00 0.00 C ATOM 333 CG ASP A 22 4.234 2.513 -12.882 1.00 0.00 C ATOM 334 OD1 ASP A 22 3.455 3.476 -13.086 1.00 0.00 O ATOM 335 OD2 ASP A 22 4.856 1.938 -13.806 1.00 0.00 O1- ATOM 0 H ASP A 22 2.162 0.980 -11.256 1.00 0.00 H new ATOM 0 HA ASP A 22 4.827 0.072 -11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.765 2.631 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.457 2.325 -11.122 1.00 0.00 H new ATOM 340 N VAL A 23 5.956 0.002 -9.585 1.00 0.00 N ATOM 341 CA VAL A 23 6.561 -0.213 -8.280 1.00 0.00 C ATOM 342 C VAL A 23 7.202 1.119 -8.042 1.00 0.00 C ATOM 343 O VAL A 23 8.149 1.512 -8.727 1.00 0.00 O ATOM 344 CB VAL A 23 7.599 -1.354 -8.213 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.474 -1.298 -6.939 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.843 -2.682 -8.218 1.00 0.00 C ATOM 0 H VAL A 23 6.643 0.058 -10.337 1.00 0.00 H new ATOM 0 HA VAL A 23 5.830 -0.532 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 23 8.263 -1.250 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.184 -2.125 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.017 -0.353 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.838 -1.376 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.555 -3.506 -8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.179 -2.726 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.255 -2.762 -9.132 1.00 0.00 H new ATOM 356 N LEU A 24 6.547 1.850 -7.165 1.00 0.00 N ATOM 357 CA LEU A 24 6.990 3.192 -6.842 1.00 0.00 C ATOM 358 C LEU A 24 7.573 3.220 -5.451 1.00 0.00 C ATOM 359 O LEU A 24 7.050 2.608 -4.528 1.00 0.00 O ATOM 360 CB LEU A 24 5.807 4.152 -6.955 1.00 0.00 C ATOM 361 CG LEU A 24 5.934 5.366 -7.885 1.00 0.00 C ATOM 362 CD1 LEU A 24 7.196 6.163 -7.561 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.925 4.945 -9.363 1.00 0.00 C ATOM 0 H LEU A 24 5.712 1.542 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 24 7.766 3.504 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.942 3.575 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.585 4.523 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 24 5.067 6.005 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.268 7.019 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.151 6.512 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.071 5.527 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.017 5.829 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.762 4.274 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.990 4.433 -9.590 1.00 0.00 H new ATOM 375 N GLN A 25 8.627 4.004 -5.295 1.00 0.00 N ATOM 376 CA GLN A 25 9.096 4.349 -3.974 1.00 0.00 C ATOM 377 C GLN A 25 8.928 5.837 -3.763 1.00 0.00 C ATOM 378 O GLN A 25 9.878 6.603 -3.890 1.00 0.00 O ATOM 379 CB GLN A 25 10.555 3.909 -3.800 1.00 0.00 C ATOM 380 CG GLN A 25 10.736 2.389 -3.979 1.00 0.00 C ATOM 381 CD GLN A 25 10.052 1.584 -2.890 1.00 0.00 C ATOM 382 OE1 GLN A 25 10.396 1.666 -1.712 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.039 0.783 -3.215 1.00 0.00 N ATOM 0 H GLN A 25 9.166 4.407 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 25 8.508 3.827 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.179 4.434 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.903 4.199 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.337 2.092 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.800 2.153 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.743 0.705 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.560 0.248 -2.491 1.00 0.00 H new ATOM 392 N THR A 26 7.721 6.205 -3.357 1.00 0.00 N ATOM 393 CA THR A 26 7.357 7.570 -2.955 1.00 0.00 C ATOM 394 C THR A 26 6.524 7.521 -1.671 1.00 0.00 C ATOM 395 O THR A 26 6.315 6.449 -1.081 1.00 0.00 O ATOM 396 CB THR A 26 6.782 8.343 -4.158 1.00 0.00 C ATOM 397 OG1 THR A 26 6.617 9.698 -3.793 1.00 0.00 O ATOM 398 CG2 THR A 26 5.457 7.803 -4.699 1.00 0.00 C ATOM 0 H THR A 26 6.942 5.550 -3.294 1.00 0.00 H new ATOM 0 HA THR A 26 8.225 8.167 -2.675 1.00 0.00 H new ATOM 0 HB THR A 26 7.502 8.220 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.253 10.199 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.133 8.412 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.591 6.772 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.701 7.840 -3.914 1.00 0.00 H new ATOM 406 N THR A 27 6.123 8.663 -1.123 1.00 0.00 N ATOM 407 CA THR A 27 5.411 8.810 0.153 1.00 0.00 C ATOM 408 C THR A 27 4.271 9.791 -0.097 1.00 0.00 C ATOM 409 O THR A 27 4.395 10.732 -0.875 1.00 0.00 O ATOM 410 CB THR A 27 6.321 9.348 1.275 1.00 0.00 C ATOM 411 OG1 THR A 27 7.212 10.313 0.748 1.00 0.00 O ATOM 412 CG2 THR A 27 7.137 8.211 1.907 1.00 0.00 C ATOM 0 H THR A 27 6.292 9.561 -1.576 1.00 0.00 H new ATOM 0 HA THR A 27 5.054 7.836 0.486 1.00 0.00 H new ATOM 0 HB THR A 27 5.688 9.800 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.787 10.653 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.772 8.614 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.460 7.469 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.759 7.742 1.145 1.00 0.00 H new ATOM 420 N CYS A 28 3.134 9.510 0.512 1.00 0.00 N ATOM 421 CA CYS A 28 1.898 10.255 0.357 1.00 0.00 C ATOM 422 C CYS A 28 1.450 10.862 1.669 1.00 0.00 C ATOM 423 O CYS A 28 1.824 10.342 2.716 1.00 0.00 O ATOM 424 CB CYS A 28 0.902 9.261 -0.186 1.00 0.00 C ATOM 425 SG CYS A 28 -0.832 9.706 -0.018 1.00 0.00 S ATOM 0 H CYS A 28 3.043 8.724 1.155 1.00 0.00 H new ATOM 0 HA CYS A 28 2.013 11.103 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.115 9.105 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.061 8.307 0.316 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.269 10.183 -1.146 1.00 0.00 H new ATOM 431 N THR A 29 0.629 11.906 1.602 1.00 0.00 N ATOM 432 CA THR A 29 0.182 12.632 2.787 1.00 0.00 C ATOM 433 C THR A 29 -1.343 12.767 2.855 1.00 0.00 C ATOM 434 O THR A 29 -1.972 13.481 2.075 1.00 0.00 O ATOM 435 CB THR A 29 0.800 14.043 2.824 1.00 0.00 C ATOM 436 OG1 THR A 29 2.170 13.980 2.500 1.00 0.00 O ATOM 437 CG2 THR A 29 0.642 14.725 4.187 1.00 0.00 C ATOM 0 H THR A 29 0.255 12.272 0.726 1.00 0.00 H new ATOM 0 HA THR A 29 0.514 12.047 3.645 1.00 0.00 H new ATOM 0 HB THR A 29 0.259 14.639 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.554 14.881 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.096 15.715 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.417 14.819 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.135 14.126 4.953 1.00 0.00 H new ATOM 445 N VAL A 30 -1.925 12.154 3.876 1.00 0.00 N ATOM 446 CA VAL A 30 -3.394 12.139 4.165 1.00 0.00 C ATOM 447 C VAL A 30 -3.659 11.928 5.681 1.00 0.00 C ATOM 448 O VAL A 30 -2.786 11.357 6.311 1.00 0.00 O ATOM 449 CB VAL A 30 -4.108 11.051 3.299 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.631 11.062 3.512 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.928 11.263 1.783 1.00 0.00 C ATOM 0 H VAL A 30 -1.387 11.628 4.565 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.812 13.109 3.895 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.646 10.118 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.091 10.292 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.853 10.865 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.030 12.037 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.448 10.473 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.341 12.231 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.867 11.235 1.535 1.00 0.00 H new ATOM 461 N ASP A 31 -4.789 12.462 6.245 1.00 0.00 N ATOM 462 CA ASP A 31 -5.393 12.418 7.619 1.00 0.00 C ATOM 463 C ASP A 31 -4.469 13.197 8.633 1.00 0.00 C ATOM 464 O ASP A 31 -4.699 13.116 9.849 1.00 0.00 O ATOM 465 CB ASP A 31 -5.486 10.904 8.091 1.00 0.00 C ATOM 466 CG ASP A 31 -6.872 10.301 8.034 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.791 11.112 7.649 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.004 9.122 8.326 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.393 13.024 5.645 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.382 12.876 7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.819 10.304 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.118 10.835 9.115 1.00 0.00 H new ATOM 473 N ARG A 32 -3.511 14.006 8.104 1.00 0.00 N ATOM 474 CA ARG A 32 -2.409 14.702 8.799 1.00 0.00 C ATOM 475 C ARG A 32 -1.357 13.651 9.191 1.00 0.00 C ATOM 476 O ARG A 32 -0.766 13.694 10.272 1.00 0.00 O ATOM 477 CB ARG A 32 -2.955 15.471 10.036 1.00 0.00 C ATOM 478 CG ARG A 32 -4.046 16.527 9.740 1.00 0.00 C ATOM 479 CD ARG A 32 -4.792 16.941 11.012 1.00 0.00 C ATOM 480 NE ARG A 32 -5.548 15.803 11.578 1.00 0.00 N ATOM 481 CZ ARG A 32 -5.941 15.645 12.839 1.00 0.00 C ATOM 482 NH1 ARG A 32 -5.867 16.601 13.746 1.00 0.00 N ATOM 483 NH2 ARG A 32 -6.378 14.468 13.225 1.00 0.00 N ATOM 0 H ARG A 32 -3.494 14.199 7.103 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.945 15.443 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.359 14.746 10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.120 15.967 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.589 17.405 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.755 16.125 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.081 17.313 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.475 17.760 10.787 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.796 15.056 10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.494 17.516 13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.183 16.425 14.700 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.412 13.694 12.562 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.684 14.328 14.188 1.00 0.00 H new ATOM 497 N LYS A 33 -1.241 12.612 8.349 1.00 0.00 N ATOM 498 CA LYS A 33 -0.321 11.506 8.399 1.00 0.00 C ATOM 499 C LYS A 33 0.347 11.379 7.041 1.00 0.00 C ATOM 500 O LYS A 33 -0.130 11.925 6.050 1.00 0.00 O ATOM 501 CB LYS A 33 -1.048 10.193 8.720 1.00 0.00 C ATOM 502 CG LYS A 33 -0.494 9.533 9.974 1.00 0.00 C ATOM 503 CD LYS A 33 0.664 8.542 9.791 1.00 0.00 C ATOM 504 CE LYS A 33 0.252 7.300 8.992 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.746 6.461 9.688 1.00 0.00 N ATOM 0 H LYS A 33 -1.860 12.535 7.542 1.00 0.00 H new ATOM 0 HA LYS A 33 0.412 11.692 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.112 10.389 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.953 9.509 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.162 10.320 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.312 9.010 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.488 9.041 9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.033 8.235 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.155 7.614 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.138 6.701 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.453 5.464 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.816 6.758 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.672 6.570 9.228 1.00 0.00 H new ATOM 519 N VAL A 34 1.444 10.646 7.035 1.00 0.00 N ATOM 520 CA VAL A 34 2.170 10.273 5.831 1.00 0.00 C ATOM 521 C VAL A 34 2.309 8.769 5.792 1.00 0.00 C ATOM 522 O VAL A 34 2.541 8.152 6.829 1.00 0.00 O ATOM 523 CB VAL A 34 3.527 10.971 5.788 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.538 10.399 4.772 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.378 12.475 5.526 1.00 0.00 C ATOM 0 H VAL A 34 1.868 10.283 7.889 1.00 0.00 H new ATOM 0 HA VAL A 34 1.620 10.595 4.947 1.00 0.00 H new ATOM 0 HB VAL A 34 3.937 10.782 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.467 10.967 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.738 9.354 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.124 10.472 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.364 12.940 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.880 12.630 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.784 12.926 6.321 1.00 0.00 H new ATOM 535 N TYR A 35 2.139 8.206 4.595 1.00 0.00 N ATOM 536 CA TYR A 35 2.147 6.777 4.307 1.00 0.00 C ATOM 537 C TYR A 35 3.149 6.480 3.212 1.00 0.00 C ATOM 538 O TYR A 35 3.252 7.229 2.241 1.00 0.00 O ATOM 539 CB TYR A 35 0.779 6.380 3.774 1.00 0.00 C ATOM 540 CG TYR A 35 -0.327 6.724 4.722 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.068 7.913 4.584 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.570 5.833 5.768 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.092 8.210 5.508 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.625 6.107 6.657 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.376 7.297 6.551 1.00 0.00 C ATOM 546 OH TYR A 35 -3.328 7.570 7.485 1.00 0.00 O ATOM 0 H TYR A 35 1.984 8.768 3.758 1.00 0.00 H new ATOM 0 HA TYR A 35 2.399 6.234 5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.605 6.880 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.766 5.308 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.854 8.595 3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.040 4.950 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.655 9.127 5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.864 5.395 7.433 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.384 6.827 8.122 1.00 0.00 H new ATOM 556 N LYS A 36 3.869 5.374 3.306 1.00 0.00 N ATOM 557 CA LYS A 36 4.903 5.092 2.320 1.00 0.00 C ATOM 558 C LYS A 36 4.360 4.172 1.239 1.00 0.00 C ATOM 559 O LYS A 36 3.824 3.109 1.545 1.00 0.00 O ATOM 560 CB LYS A 36 6.160 4.520 2.959 1.00 0.00 C ATOM 561 CG LYS A 36 6.392 4.738 4.460 1.00 0.00 C ATOM 562 CD LYS A 36 7.644 3.989 4.952 1.00 0.00 C ATOM 563 CE LYS A 36 8.950 4.537 4.363 1.00 0.00 C ATOM 564 NZ LYS A 36 9.457 5.708 5.110 1.00 0.00 N ATOM 0 H LYS A 36 3.762 4.670 4.037 1.00 0.00 H new ATOM 0 HA LYS A 36 5.192 6.036 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.162 3.445 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.017 4.935 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.502 5.804 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.520 4.396 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.691 4.049 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.552 2.934 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.706 3.751 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.787 4.816 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.340 6.042 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.749 6.469 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.639 5.438 6.098 1.00 0.00 H new ATOM 578 N THR A 37 4.468 4.614 -0.009 1.00 0.00 N ATOM 579 CA THR A 37 3.919 3.942 -1.181 1.00 0.00 C ATOM 580 C THR A 37 4.819 2.760 -1.524 1.00 0.00 C ATOM 581 O THR A 37 6.010 2.770 -1.230 1.00 0.00 O ATOM 582 CB THR A 37 3.741 4.878 -2.387 1.00 0.00 C ATOM 583 OG1 THR A 37 4.990 5.121 -2.969 1.00 0.00 O ATOM 584 CG2 THR A 37 3.110 6.233 -2.050 1.00 0.00 C ATOM 0 H THR A 37 4.957 5.479 -0.240 1.00 0.00 H new ATOM 0 HA THR A 37 2.915 3.594 -0.938 1.00 0.00 H new ATOM 0 HB THR A 37 3.057 4.363 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.659 5.252 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.022 6.829 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.120 6.077 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.739 6.758 -1.331 1.00 0.00 H new ATOM 592 N ILE A 38 4.244 1.773 -2.191 1.00 0.00 N ATOM 593 CA ILE A 38 5.006 0.679 -2.825 1.00 0.00 C ATOM 594 C ILE A 38 4.827 0.619 -4.327 1.00 0.00 C ATOM 595 O ILE A 38 5.691 0.147 -5.067 1.00 0.00 O ATOM 596 CB ILE A 38 4.528 -0.695 -2.322 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.905 -0.647 -0.907 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.818 -1.559 -2.319 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.488 -2.037 -0.431 1.00 0.00 C ATOM 0 H ILE A 38 3.235 1.696 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 38 6.044 0.889 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 38 3.734 -1.090 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.624 -0.222 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.037 0.012 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.581 -2.565 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.225 -1.609 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.555 -1.110 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.054 -1.965 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.750 -2.451 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.361 -2.688 -0.401 1.00 0.00 H new ATOM 611 N CYS A 39 3.625 0.972 -4.752 1.00 0.00 N ATOM 612 CA CYS A 39 3.159 0.720 -6.083 1.00 0.00 C ATOM 613 C CYS A 39 2.013 1.629 -6.378 1.00 0.00 C ATOM 614 O CYS A 39 1.157 1.876 -5.521 1.00 0.00 O ATOM 615 CB CYS A 39 2.800 -0.757 -6.238 1.00 0.00 C ATOM 616 SG CYS A 39 1.871 -1.520 -4.879 1.00 0.00 S ATOM 0 H CYS A 39 2.943 1.449 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 39 3.942 0.930 -6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.219 -0.871 -7.153 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.724 -1.319 -6.375 1.00 0.00 H new ATOM 0 HG CYS A 39 1.929 -0.754 -3.830 1.00 0.00 H new ATOM 622 N LYS A 40 1.994 2.066 -7.626 1.00 0.00 N ATOM 623 CA LYS A 40 0.982 2.946 -8.106 1.00 0.00 C ATOM 624 C LYS A 40 0.377 2.539 -9.409 1.00 0.00 C ATOM 625 O LYS A 40 1.063 2.106 -10.330 1.00 0.00 O ATOM 626 CB LYS A 40 1.594 4.333 -8.069 1.00 0.00 C ATOM 627 CG LYS A 40 1.068 5.371 -9.044 1.00 0.00 C ATOM 628 CD LYS A 40 1.777 5.351 -10.402 1.00 0.00 C ATOM 629 CE LYS A 40 0.779 5.400 -11.559 1.00 0.00 C ATOM 630 NZ LYS A 40 1.465 5.509 -12.867 1.00 0.00 N ATOM 0 H LYS A 40 2.691 1.810 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 40 0.098 2.916 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.467 4.727 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.666 4.230 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.002 5.206 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.176 6.361 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.457 6.200 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.384 4.450 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.161 4.502 -11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.109 6.250 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.773 5.387 -13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.910 6.445 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.195 4.771 -12.939 1.00 0.00 H new ATOM 644 N ARG A 41 -0.933 2.721 -9.491 1.00 0.00 N ATOM 645 CA ARG A 41 -1.696 2.536 -10.702 1.00 0.00 C ATOM 646 C ARG A 41 -2.768 3.599 -10.751 1.00 0.00 C ATOM 647 O ARG A 41 -3.564 3.753 -9.842 1.00 0.00 O ATOM 648 CB ARG A 41 -2.329 1.151 -10.727 1.00 0.00 C ATOM 649 CG ARG A 41 -2.724 0.761 -12.156 1.00 0.00 C ATOM 650 CD ARG A 41 -3.703 -0.428 -12.069 1.00 0.00 C ATOM 651 NE ARG A 41 -3.910 -1.128 -13.349 1.00 0.00 N ATOM 652 CZ ARG A 41 -4.642 -2.235 -13.527 1.00 0.00 C ATOM 653 NH1 ARG A 41 -5.125 -2.988 -12.550 1.00 0.00 N ATOM 654 NH2 ARG A 41 -4.857 -2.663 -14.742 1.00 0.00 N ATOM 0 H ARG A 41 -1.502 3.008 -8.695 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.041 2.621 -11.569 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.629 0.419 -10.325 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.209 1.136 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.191 1.603 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.842 0.487 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.329 -1.140 -11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.665 -0.068 -11.704 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.455 -0.734 -14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.947 -2.738 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.675 -3.818 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.469 -2.156 -15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.412 -3.505 -14.895 1.00 0.00 H new ATOM 668 N GLY A 42 -2.742 4.365 -11.801 1.00 0.00 N ATOM 669 CA GLY A 42 -3.683 5.455 -11.934 1.00 0.00 C ATOM 670 C GLY A 42 -3.382 6.564 -10.948 1.00 0.00 C ATOM 671 O GLY A 42 -2.237 6.955 -10.764 1.00 0.00 O ATOM 0 H GLY A 42 -2.088 4.263 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.646 5.848 -12.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.696 5.086 -11.772 1.00 0.00 H new ATOM 675 N ASN A 43 -4.443 6.986 -10.266 1.00 0.00 N ATOM 676 CA ASN A 43 -4.386 7.872 -9.094 1.00 0.00 C ATOM 677 C ASN A 43 -4.180 7.133 -7.757 1.00 0.00 C ATOM 678 O ASN A 43 -4.223 7.758 -6.698 1.00 0.00 O ATOM 679 CB ASN A 43 -5.687 8.711 -9.086 1.00 0.00 C ATOM 680 CG ASN A 43 -7.012 7.969 -9.022 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.105 6.798 -8.409 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -8.015 8.378 -9.582 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.395 6.717 -10.515 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.506 8.509 -9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.642 9.389 -8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.692 9.328 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.998 9.274 -10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.871 7.824 -9.563 1.00 0.00 H new ATOM 689 N THR A 44 -4.044 5.787 -7.792 1.00 0.00 N ATOM 690 CA THR A 44 -3.909 4.959 -6.577 1.00 0.00 C ATOM 691 C THR A 44 -2.459 4.558 -6.339 1.00 0.00 C ATOM 692 O THR A 44 -1.671 4.364 -7.255 1.00 0.00 O ATOM 693 CB THR A 44 -4.932 3.822 -6.484 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.781 3.131 -5.263 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.045 2.808 -7.609 1.00 0.00 C ATOM 0 H THR A 44 -4.025 5.250 -8.659 1.00 0.00 H new ATOM 0 HA THR A 44 -4.180 5.583 -5.726 1.00 0.00 H new ATOM 0 HB THR A 44 -5.867 4.376 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.440 2.408 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.820 2.081 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.304 3.320 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.092 2.294 -7.733 1.00 0.00 H new ATOM 703 N TYR A 45 -2.128 4.457 -5.059 1.00 0.00 N ATOM 704 CA TYR A 45 -0.834 4.353 -4.432 1.00 0.00 C ATOM 705 C TYR A 45 -1.174 3.523 -3.219 1.00 0.00 C ATOM 706 O TYR A 45 -1.932 3.916 -2.326 1.00 0.00 O ATOM 707 CB TYR A 45 -0.271 5.697 -3.971 1.00 0.00 C ATOM 708 CG TYR A 45 0.171 6.618 -5.075 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.537 6.747 -5.396 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.806 7.342 -5.772 1.00 0.00 C ATOM 711 CE1 TYR A 45 1.941 7.679 -6.364 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.407 8.264 -6.758 1.00 0.00 C ATOM 713 CZ TYR A 45 0.967 8.449 -7.043 1.00 0.00 C ATOM 714 OH TYR A 45 1.343 9.341 -7.997 1.00 0.00 O ATOM 0 H TYR A 45 -2.863 4.445 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.077 3.950 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.030 6.206 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.578 5.511 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.271 6.130 -4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.854 7.194 -5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.989 7.808 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.151 8.831 -7.298 1.00 0.00 H new ATOM 0 HH TYR A 45 0.549 9.783 -8.363 1.00 0.00 H new ATOM 724 N LEU A 46 -0.730 2.290 -3.299 1.00 0.00 N ATOM 725 CA LEU A 46 -0.855 1.362 -2.219 1.00 0.00 C ATOM 726 C LEU A 46 0.281 1.738 -1.270 1.00 0.00 C ATOM 727 O LEU A 46 1.438 1.771 -1.704 1.00 0.00 O ATOM 728 CB LEU A 46 -0.703 -0.009 -2.859 1.00 0.00 C ATOM 729 CG LEU A 46 -1.751 -1.090 -2.525 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.151 -1.420 -1.090 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.074 -0.669 -3.142 1.00 0.00 C ATOM 0 H LEU A 46 -0.270 1.908 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.791 1.368 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.698 0.127 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.277 -0.399 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.226 -1.972 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.902 -2.210 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.274 -1.756 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.563 -0.530 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.834 -1.418 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.380 0.292 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.959 -0.578 -4.222 1.00 0.00 H new ATOM 743 N CYS A 47 -0.044 2.037 -0.016 1.00 0.00 N ATOM 744 CA CYS A 47 0.910 2.484 0.989 1.00 0.00 C ATOM 745 C CYS A 47 0.837 1.611 2.236 1.00 0.00 C ATOM 746 O CYS A 47 -0.134 0.879 2.419 1.00 0.00 O ATOM 747 CB CYS A 47 0.660 3.961 1.351 1.00 0.00 C ATOM 748 SG CYS A 47 0.309 4.972 -0.111 1.00 0.00 S ATOM 0 H CYS A 47 -0.999 1.973 0.336 1.00 0.00 H new ATOM 0 HA CYS A 47 1.912 2.393 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.177 4.027 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.534 4.360 1.866 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.619 4.401 -0.821 1.00 0.00 H new ATOM 754 N PHE A 48 1.840 1.701 3.104 1.00 0.00 N ATOM 755 CA PHE A 48 1.890 0.935 4.340 1.00 0.00 C ATOM 756 C PHE A 48 2.350 1.764 5.531 1.00 0.00 C ATOM 757 O PHE A 48 3.036 2.772 5.349 1.00 0.00 O ATOM 758 CB PHE A 48 2.711 -0.338 4.118 1.00 0.00 C ATOM 759 CG PHE A 48 4.210 -0.183 4.050 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.824 0.276 2.872 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.995 -0.573 5.144 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.227 0.349 2.792 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.394 -0.508 5.063 1.00 0.00 C ATOM 764 CZ PHE A 48 7.018 -0.045 3.889 1.00 0.00 C ATOM 0 H PHE A 48 2.645 2.312 2.967 1.00 0.00 H new ATOM 0 HA PHE A 48 0.877 0.633 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.479 -1.036 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.376 -0.800 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.219 0.573 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.523 -0.924 6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.698 0.707 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.996 -0.815 5.906 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.095 0.008 3.830 1.00 0.00 H new ATOM 774 N ASP A 49 1.941 1.333 6.725 1.00 0.00 N ATOM 775 CA ASP A 49 2.546 1.785 7.974 1.00 0.00 C ATOM 776 C ASP A 49 3.057 0.552 8.732 1.00 0.00 C ATOM 777 O ASP A 49 3.306 -0.522 8.180 1.00 0.00 O ATOM 778 CB ASP A 49 1.562 2.532 8.890 1.00 0.00 C ATOM 779 CG ASP A 49 0.970 3.829 8.376 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.231 4.040 8.634 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.724 4.723 7.936 1.00 0.00 O1- ATOM 0 H ASP A 49 1.183 0.662 6.851 1.00 0.00 H new ATOM 0 HA ASP A 49 3.345 2.480 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.739 1.856 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.073 2.745 9.829 1.00 0.00 H new ATOM 786 N ASP A 50 3.148 0.696 10.051 1.00 0.00 N ATOM 787 CA ASP A 50 3.661 -0.295 10.971 1.00 0.00 C ATOM 788 C ASP A 50 2.699 -1.471 11.249 1.00 0.00 C ATOM 789 O ASP A 50 3.122 -2.459 11.846 1.00 0.00 O ATOM 790 CB ASP A 50 4.057 0.383 12.305 1.00 0.00 C ATOM 791 CG ASP A 50 4.848 1.697 12.165 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.063 1.693 12.484 1.00 0.00 O ATOM 793 OD2 ASP A 50 4.213 2.723 11.827 1.00 0.00 O1- ATOM 0 H ASP A 50 2.850 1.550 10.522 1.00 0.00 H new ATOM 0 HA ASP A 50 4.532 -0.732 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.150 0.583 12.875 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.652 -0.320 12.888 1.00 0.00 H new ATOM 798 N THR A 51 1.427 -1.353 10.846 1.00 0.00 N ATOM 799 CA THR A 51 0.332 -2.242 11.276 1.00 0.00 C ATOM 800 C THR A 51 -0.330 -3.010 10.140 1.00 0.00 C ATOM 801 O THR A 51 -1.013 -3.997 10.411 1.00 0.00 O ATOM 802 CB THR A 51 -0.752 -1.381 11.937 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.180 -0.406 11.018 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.259 -0.623 13.160 1.00 0.00 C ATOM 0 H THR A 51 1.121 -0.625 10.200 1.00 0.00 H new ATOM 0 HA THR A 51 0.775 -2.975 11.950 1.00 0.00 H new ATOM 0 HB THR A 51 -1.542 -2.067 12.242 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.875 0.149 11.430 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.076 -0.035 13.577 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.097 -1.331 13.908 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.556 0.041 12.872 1.00 0.00 H new ATOM 812 N ASN A 52 -0.239 -2.488 8.911 1.00 0.00 N ATOM 813 CA ASN A 52 -1.138 -2.661 7.787 1.00 0.00 C ATOM 814 C ASN A 52 -0.820 -1.657 6.663 1.00 0.00 C ATOM 815 O ASN A 52 0.181 -0.940 6.675 1.00 0.00 O ATOM 816 CB ASN A 52 -2.621 -2.667 8.207 1.00 0.00 C ATOM 817 CG ASN A 52 -3.131 -1.446 8.959 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.530 -1.521 10.111 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.131 -0.295 8.332 1.00 0.00 N ATOM 0 H ASN A 52 0.542 -1.879 8.666 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.962 -3.655 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.227 -2.789 7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.793 -3.545 8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.465 0.544 8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.797 -0.238 7.370 1.00 0.00 H new ATOM 826 N LEU A 53 -1.740 -1.605 5.701 1.00 0.00 N ATOM 827 CA LEU A 53 -1.704 -0.832 4.486 1.00 0.00 C ATOM 828 C LEU A 53 -2.902 0.078 4.354 1.00 0.00 C ATOM 829 O LEU A 53 -3.860 -0.008 5.118 1.00 0.00 O ATOM 830 CB LEU A 53 -1.586 -1.804 3.313 1.00 0.00 C ATOM 831 CG LEU A 53 -0.164 -2.372 3.338 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.192 -3.779 3.870 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.495 -2.494 1.988 1.00 0.00 C ATOM 0 H LEU A 53 -2.597 -2.153 5.769 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.840 -0.167 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.321 -2.604 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.780 -1.294 2.369 1.00 0.00 H new ATOM 0 HG LEU A 53 0.395 -1.664 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.821 -4.182 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.599 -3.778 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.818 -4.398 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.497 -2.905 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.095 -3.156 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.560 -1.510 1.524 1.00 0.00 H new ATOM 845 N TYR A 54 -2.846 0.931 3.341 1.00 0.00 N ATOM 846 CA TYR A 54 -3.866 1.906 3.029 1.00 0.00 C ATOM 847 C TYR A 54 -3.777 2.144 1.526 1.00 0.00 C ATOM 848 O TYR A 54 -2.673 2.318 1.006 1.00 0.00 O ATOM 849 CB TYR A 54 -3.718 3.230 3.814 1.00 0.00 C ATOM 850 CG TYR A 54 -3.404 3.135 5.302 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.360 3.581 6.226 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.204 2.572 5.784 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.160 3.446 7.606 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.058 2.288 7.153 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.025 2.750 8.080 1.00 0.00 C ATOM 856 OH TYR A 54 -2.877 2.497 9.410 1.00 0.00 O ATOM 0 H TYR A 54 -2.058 0.959 2.694 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.842 1.523 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.930 3.815 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.644 3.793 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.270 4.038 5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.396 2.359 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.868 3.871 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.209 1.717 7.498 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.041 2.009 9.559 1.00 0.00 H new ATOM 866 N ALA A 55 -4.887 2.147 0.798 1.00 0.00 N ATOM 867 CA ALA A 55 -4.858 2.699 -0.556 1.00 0.00 C ATOM 868 C ALA A 55 -5.195 4.168 -0.415 1.00 0.00 C ATOM 869 O ALA A 55 -6.271 4.488 0.075 1.00 0.00 O ATOM 870 CB ALA A 55 -5.826 1.913 -1.458 1.00 0.00 C ATOM 0 H ALA A 55 -5.791 1.787 1.106 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.885 2.607 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.802 2.327 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.525 0.866 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.838 1.989 -1.059 1.00 0.00 H new ATOM 876 N ILE A 56 -4.283 5.053 -0.810 1.00 0.00 N ATOM 877 CA ILE A 56 -4.661 6.441 -1.022 1.00 0.00 C ATOM 878 C ILE A 56 -5.093 6.576 -2.483 1.00 0.00 C ATOM 879 O ILE A 56 -4.271 6.498 -3.400 1.00 0.00 O ATOM 880 CB ILE A 56 -3.584 7.426 -0.541 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.547 7.513 1.012 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.992 8.827 -1.063 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.654 6.498 1.731 1.00 0.00 C ATOM 0 H ILE A 56 -3.301 4.839 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.511 6.723 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.610 7.096 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.218 8.514 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.565 7.397 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.254 9.563 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.041 8.810 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.969 9.095 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.713 6.660 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.990 5.488 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.623 6.623 1.401 1.00 0.00 H new ATOM 895 N THR A 57 -6.403 6.760 -2.671 1.00 0.00 N ATOM 896 CA THR A 57 -7.041 6.933 -3.979 1.00 0.00 C ATOM 897 C THR A 57 -7.245 8.427 -4.161 1.00 0.00 C ATOM 898 O THR A 57 -8.227 9.000 -3.686 1.00 0.00 O ATOM 899 CB THR A 57 -8.346 6.128 -4.073 1.00 0.00 C ATOM 900 OG1 THR A 57 -8.189 4.851 -3.512 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.736 5.924 -5.531 1.00 0.00 C ATOM 0 H THR A 57 -7.067 6.794 -1.897 1.00 0.00 H new ATOM 0 HA THR A 57 -6.419 6.546 -4.786 1.00 0.00 H new ATOM 0 HB THR A 57 -9.109 6.691 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.033 4.357 -3.581 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.662 5.352 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.881 6.893 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.944 5.380 -6.047 1.00 0.00 H new ATOM 909 N GLY A 58 -6.245 9.088 -4.745 1.00 0.00 N ATOM 910 CA GLY A 58 -6.159 10.557 -4.837 1.00 0.00 C ATOM 911 C GLY A 58 -5.888 11.227 -3.477 1.00 0.00 C ATOM 912 O GLY A 58 -4.808 11.760 -3.251 1.00 0.00 O ATOM 0 H GLY A 58 -5.453 8.613 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.365 10.827 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.090 10.946 -5.249 1.00 0.00 H new ATOM 916 N ASP A 59 -6.894 11.202 -2.600 1.00 0.00 N ATOM 917 CA ASP A 59 -6.932 11.853 -1.276 1.00 0.00 C ATOM 918 C ASP A 59 -7.704 10.999 -0.250 1.00 0.00 C ATOM 919 O ASP A 59 -7.868 11.374 0.904 1.00 0.00 O ATOM 920 CB ASP A 59 -7.570 13.241 -1.473 1.00 0.00 C ATOM 921 CG ASP A 59 -6.674 14.296 -2.130 1.00 0.00 C ATOM 922 OD1 ASP A 59 -6.773 14.514 -3.364 1.00 0.00 O ATOM 923 OD2 ASP A 59 -5.965 15.011 -1.386 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.758 10.699 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.926 11.959 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.468 13.125 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.888 13.616 -0.500 1.00 0.00 H new ATOM 928 N VAL A 60 -8.191 9.836 -0.681 1.00 0.00 N ATOM 929 CA VAL A 60 -9.076 8.917 0.048 1.00 0.00 C ATOM 930 C VAL A 60 -8.204 7.863 0.678 1.00 0.00 C ATOM 931 O VAL A 60 -7.744 6.967 -0.021 1.00 0.00 O ATOM 932 CB VAL A 60 -10.097 8.229 -0.900 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.904 7.112 -0.205 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.046 9.268 -1.517 1.00 0.00 C ATOM 0 H VAL A 60 -7.965 9.484 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.643 9.476 0.792 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.516 7.754 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.600 6.669 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.222 6.344 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.460 7.532 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.754 8.767 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.590 9.780 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.468 9.995 -2.088 1.00 0.00 H new ATOM 944 N VAL A 61 -7.990 7.957 1.990 1.00 0.00 N ATOM 945 CA VAL A 61 -7.235 6.942 2.733 1.00 0.00 C ATOM 946 C VAL A 61 -8.136 5.766 3.091 1.00 0.00 C ATOM 947 O VAL A 61 -9.049 5.844 3.914 1.00 0.00 O ATOM 948 CB VAL A 61 -6.499 7.544 3.935 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.416 8.089 5.034 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.526 6.533 4.546 1.00 0.00 C ATOM 0 H VAL A 61 -8.330 8.728 2.565 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.449 6.549 2.089 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.957 8.398 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.811 8.495 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.048 8.876 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.043 7.284 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.017 6.986 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.077 5.653 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.790 6.239 3.798 1.00 0.00 H new ATOM 960 N LEU A 62 -7.857 4.635 2.448 1.00 0.00 N ATOM 961 CA LEU A 62 -8.556 3.374 2.680 1.00 0.00 C ATOM 962 C LEU A 62 -7.658 2.387 3.420 1.00 0.00 C ATOM 963 O LEU A 62 -6.973 1.566 2.828 1.00 0.00 O ATOM 964 CB LEU A 62 -9.120 2.874 1.349 1.00 0.00 C ATOM 965 CG LEU A 62 -9.643 1.418 1.323 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.240 0.866 2.633 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.747 1.374 0.272 1.00 0.00 C ATOM 0 H LEU A 62 -7.127 4.568 1.739 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.409 3.509 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.936 3.535 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.342 2.971 0.591 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.772 0.794 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.568 -0.162 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.483 0.891 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.091 1.478 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.153 0.364 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.541 2.068 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.338 1.658 -0.697 1.00 0.00 H new ATOM 979 N LYS A 63 -7.717 2.472 4.742 1.00 0.00 N ATOM 980 CA LYS A 63 -7.075 1.543 5.688 1.00 0.00 C ATOM 981 C LYS A 63 -7.486 0.072 5.470 1.00 0.00 C ATOM 982 O LYS A 63 -8.654 -0.301 5.592 1.00 0.00 O ATOM 983 CB LYS A 63 -7.309 2.013 7.146 1.00 0.00 C ATOM 984 CG LYS A 63 -8.767 1.991 7.660 1.00 0.00 C ATOM 985 CD LYS A 63 -8.906 2.551 9.090 1.00 0.00 C ATOM 986 CE LYS A 63 -8.320 1.609 10.159 1.00 0.00 C ATOM 987 NZ LYS A 63 -9.366 1.038 11.047 1.00 0.00 N ATOM 0 H LYS A 63 -8.232 3.216 5.213 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.003 1.568 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.707 1.388 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.931 3.031 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.394 2.573 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.140 0.967 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.403 3.516 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.960 2.727 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.781 0.798 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.594 2.155 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.922 0.412 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.864 1.808 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.045 0.494 10.478 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.524 -0.805 5.189 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.736 -2.244 5.129 1.00 0.00 C ATOM 1003 C PHE A 64 -6.644 -2.811 6.550 1.00 0.00 C ATOM 1004 O PHE A 64 -5.653 -2.567 7.228 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.696 -2.859 4.205 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.909 -2.484 2.756 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.972 -1.676 2.093 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.048 -2.939 2.070 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.166 -1.331 0.751 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.230 -2.606 0.722 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.288 -1.799 0.058 1.00 0.00 C ATOM 0 H PHE A 64 -5.562 -0.528 4.994 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.722 -2.481 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.703 -2.537 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.725 -3.944 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.099 -1.320 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.782 -3.544 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.447 -0.701 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.097 -2.970 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.430 -1.542 -0.981 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.620 -3.612 6.983 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.567 -4.332 8.267 1.00 0.00 C ATOM 1023 C ALA A 65 -6.471 -5.402 8.350 1.00 0.00 C ATOM 1024 O ALA A 65 -6.410 -6.144 9.326 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.932 -4.991 8.493 1.00 0.00 C ATOM 0 H ALA A 65 -8.475 -3.783 6.454 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.323 -3.599 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.922 -5.533 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.706 -4.224 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.140 -5.686 7.679 1.00 0.00 H new ATOM 1031 N THR A 66 -5.660 -5.599 7.308 1.00 0.00 N ATOM 1032 CA THR A 66 -4.691 -6.658 7.231 1.00 0.00 C ATOM 1033 C THR A 66 -3.698 -6.134 6.263 1.00 0.00 C ATOM 1034 O THR A 66 -3.965 -5.249 5.451 1.00 0.00 O ATOM 1035 CB THR A 66 -5.203 -7.984 6.657 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.588 -8.075 6.804 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.690 -9.229 7.351 1.00 0.00 C ATOM 0 H THR A 66 -5.671 -5.003 6.481 1.00 0.00 H new ATOM 0 HA THR A 66 -4.342 -6.891 8.237 1.00 0.00 H new ATOM 0 HB THR A 66 -4.851 -7.960 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.901 -8.926 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.110 -10.113 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.603 -9.261 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.988 -9.210 8.399 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.620 -6.856 6.241 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.757 -6.801 5.112 1.00 0.00 C ATOM 1047 C VAL A 67 -2.343 -7.523 3.887 1.00 0.00 C ATOM 1048 O VAL A 67 -2.451 -6.943 2.813 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.437 -7.433 5.493 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.514 -6.692 4.622 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.170 -7.155 6.855 1.00 0.00 C ATOM 0 H VAL A 67 -2.322 -7.484 6.988 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.627 -5.756 4.831 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.600 -8.509 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.527 -7.055 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.248 -6.849 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.465 -5.628 4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.114 -7.692 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.349 -6.085 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.516 -7.488 7.634 1.00 0.00 H new ATOM 1061 N SER A 68 -2.788 -8.772 4.066 1.00 0.00 N ATOM 1062 CA SER A 68 -3.287 -9.669 3.007 1.00 0.00 C ATOM 1063 C SER A 68 -4.365 -9.036 2.113 1.00 0.00 C ATOM 1064 O SER A 68 -4.400 -9.314 0.915 1.00 0.00 O ATOM 1065 CB SER A 68 -3.781 -10.992 3.644 1.00 0.00 C ATOM 1066 OG SER A 68 -3.050 -11.286 4.838 1.00 0.00 O ATOM 0 H SER A 68 -2.813 -9.207 4.988 1.00 0.00 H new ATOM 0 HA SER A 68 -2.452 -9.872 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.844 -10.916 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.666 -11.809 2.932 1.00 0.00 H new ATOM 0 HG SER A 68 -3.379 -12.124 5.225 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.149 -8.091 2.653 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.104 -7.285 1.904 1.00 0.00 C ATOM 1074 C LYS A 69 -5.484 -6.544 0.722 1.00 0.00 C ATOM 1075 O LYS A 69 -5.955 -6.679 -0.404 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.678 -6.230 2.840 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.065 -6.691 4.243 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.484 -6.290 4.576 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.332 -7.395 3.938 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.707 -6.955 3.634 1.00 0.00 N ATOM 0 H LYS A 69 -5.130 -7.866 3.648 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.856 -7.971 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.947 -5.427 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.562 -5.801 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.964 -7.774 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.381 -6.258 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.642 -6.235 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.730 -5.310 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.851 -7.731 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.370 -8.252 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.236 -7.741 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.179 -6.659 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.677 -6.155 2.971 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.417 -5.787 0.986 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.730 -4.975 -0.014 1.00 0.00 C ATOM 1096 C ALA A 70 -3.313 -5.724 -1.306 1.00 0.00 C ATOM 1097 O ALA A 70 -3.186 -5.117 -2.370 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.517 -4.389 0.702 1.00 0.00 C ATOM 0 H ALA A 70 -4.002 -5.722 1.915 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.418 -4.216 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.952 -3.765 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.850 -3.785 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.882 -5.198 1.063 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.151 -7.050 -1.233 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.820 -7.893 -2.388 1.00 0.00 C ATOM 1106 C ARG A 71 -4.007 -8.092 -3.315 1.00 0.00 C ATOM 1107 O ARG A 71 -3.888 -7.982 -4.537 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.306 -9.254 -1.873 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.242 -9.861 -2.795 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.007 -10.405 -2.052 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.300 -11.611 -1.271 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.635 -12.360 -0.667 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.916 -12.066 -0.713 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.286 -13.395 0.070 1.00 0.00 N ATOM 0 H ARG A 71 -3.247 -7.573 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.049 -7.391 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.889 -9.128 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.143 -9.946 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.693 -10.670 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.919 -9.103 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.778 -10.628 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.381 -9.633 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.275 -11.898 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.232 -11.241 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.594 -12.663 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.700 -13.631 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.002 -13.960 0.527 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.158 -8.378 -2.719 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.418 -8.492 -3.430 1.00 0.00 C ATOM 1130 C ALA A 72 -6.882 -7.121 -3.969 1.00 0.00 C ATOM 1131 O ALA A 72 -7.508 -7.070 -5.020 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.392 -9.166 -2.464 1.00 0.00 C ATOM 0 H ALA A 72 -5.240 -8.539 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.337 -9.103 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.363 -9.279 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.008 -10.148 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.500 -8.552 -1.570 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.439 -6.013 -3.357 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.700 -4.659 -3.894 1.00 0.00 C ATOM 1140 C TYR A 73 -6.016 -4.483 -5.265 1.00 0.00 C ATOM 1141 O TYR A 73 -6.601 -3.955 -6.216 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.288 -3.580 -2.905 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.755 -2.230 -3.394 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.018 -1.589 -4.451 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -7.999 -1.688 -2.917 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.606 -0.397 -4.978 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.497 -0.469 -3.440 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.793 0.160 -4.483 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.209 1.373 -4.988 1.00 0.00 O ATOM 0 H TYR A 73 -5.899 -6.022 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.774 -4.549 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.717 -3.790 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.205 -3.578 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.083 -1.982 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.557 -2.213 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.110 0.099 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.401 -0.030 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.047 1.638 -4.554 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.763 -4.938 -5.342 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.870 -4.766 -6.425 1.00 0.00 C ATOM 1161 C LEU A 74 -4.425 -5.313 -7.683 1.00 0.00 C ATOM 1162 O LEU A 74 -4.141 -4.744 -8.722 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.519 -5.398 -6.063 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.370 -4.367 -6.090 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.667 -3.082 -5.317 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.108 -5.016 -5.544 1.00 0.00 C ATOM 0 H LEU A 74 -4.343 -5.471 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.721 -3.701 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.582 -5.844 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.298 -6.205 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.242 -4.068 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.811 -2.411 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.544 -2.596 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.858 -3.322 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.708 -4.294 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.282 -5.345 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.155 -5.875 -6.161 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.185 -6.384 -7.620 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.861 -6.940 -8.811 1.00 0.00 C ATOM 1180 C GLU A 75 -7.339 -6.549 -8.917 1.00 0.00 C ATOM 1181 O GLU A 75 -7.841 -6.584 -10.052 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.691 -8.478 -8.822 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.890 -9.285 -7.525 1.00 0.00 C ATOM 1184 CD GLU A 75 -6.168 -10.772 -7.846 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.225 -11.612 -7.897 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -7.353 -11.040 -8.155 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.362 -6.902 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.383 -6.504 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.387 -8.876 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.685 -8.690 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.001 -9.203 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.721 -8.869 -6.955 1.00 0.00 H new