USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -154:sc= 1.05 USER MOD Set 1.2: A 36 CYS SG : rot 41:sc= 0.759 USER MOD Set 1.3: A 56 CYS SG : rot -127:sc= -5.27! USER MOD Set 2.1: A 6 CYS SG : rot 179:sc= 2.16 USER MOD Set 2.2: A 9 CYS SG : rot -51:sc= -3.39! USER MOD Set 2.3: A 27 HIS : no HD1:sc= -1.88 K(o=-3.8,f=-4.8) USER MOD Set 2.4: A 30 CYS SG : rot 140:sc= -0.688! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.42) USER MOD Single : A 12 ASN : amide:sc= -0.571 K(o=-0.57,f=-2!) USER MOD Single : A 17 TYR OH : rot -4:sc= 0.442 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.257 F(o=-1.1,f=-0.26) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 67:sc= 0.423 USER MOD Single : A 48 TYR OH : rot 15:sc= 0.546 USER MOD Single : A 49 TYR OH : rot -66:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 1.31 (180deg=1.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.0333 K(o=0.033,f=-4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.477 -8.085 -9.665 1.00 0.00 N ATOM 22 CA LEU A 3 -14.728 -7.724 -8.468 1.00 0.00 C ATOM 23 C LEU A 3 -13.247 -7.561 -8.792 1.00 0.00 C ATOM 24 O LEU A 3 -12.837 -7.705 -9.943 1.00 0.00 O ATOM 25 CB LEU A 3 -14.914 -8.785 -7.382 1.00 0.00 C ATOM 26 CG LEU A 3 -16.327 -8.879 -6.811 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.684 -10.322 -6.498 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.457 -8.012 -5.570 1.00 0.00 C ATOM 0 HA LEU A 3 -15.111 -6.773 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.638 -9.756 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.222 -8.575 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.027 -8.511 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.695 -10.367 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.633 -10.916 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.981 -10.720 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.470 -8.091 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.747 -8.349 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.248 -6.974 -5.828 1.00 0.00 H new ATOM 40 N LEU A 4 -12.446 -7.280 -7.780 1.00 0.00 N ATOM 41 CA LEU A 4 -11.014 -7.106 -7.968 1.00 0.00 C ATOM 42 C LEU A 4 -10.257 -8.282 -7.383 1.00 0.00 C ATOM 43 O LEU A 4 -10.743 -8.947 -6.474 1.00 0.00 O ATOM 44 CB LEU A 4 -10.538 -5.815 -7.306 1.00 0.00 C ATOM 45 CG LEU A 4 -11.496 -4.635 -7.413 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.716 -4.013 -6.047 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.950 -3.610 -8.390 1.00 0.00 C ATOM 0 H LEU A 4 -12.762 -7.167 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.818 -7.050 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.351 -6.015 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.585 -5.529 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.457 -4.989 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.402 -3.171 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.140 -4.757 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.763 -3.664 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.641 -2.770 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.981 -3.254 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.835 -4.069 -9.372 1.00 0.00 H new ATOM 59 N THR A 5 -9.037 -8.481 -7.840 1.00 0.00 N ATOM 60 CA THR A 5 -8.191 -9.521 -7.285 1.00 0.00 C ATOM 61 C THR A 5 -6.870 -8.940 -6.806 1.00 0.00 C ATOM 62 O THR A 5 -6.200 -8.208 -7.535 1.00 0.00 O ATOM 63 CB THR A 5 -7.916 -10.652 -8.289 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.256 -10.244 -9.624 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.711 -11.892 -7.922 1.00 0.00 C ATOM 0 H THR A 5 -8.610 -7.939 -8.591 1.00 0.00 H new ATOM 0 HA THR A 5 -8.735 -9.946 -6.441 1.00 0.00 H new ATOM 0 HB THR A 5 -6.851 -10.882 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.072 -10.978 -10.247 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.505 -12.683 -8.643 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.424 -12.226 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.776 -11.659 -7.934 1.00 0.00 H new ATOM 73 N CYS A 6 -6.532 -9.235 -5.563 1.00 0.00 N ATOM 74 CA CYS A 6 -5.340 -8.696 -4.941 1.00 0.00 C ATOM 75 C CYS A 6 -4.110 -9.474 -5.387 1.00 0.00 C ATOM 76 O CYS A 6 -4.160 -10.693 -5.554 1.00 0.00 O ATOM 77 CB CYS A 6 -5.515 -8.717 -3.415 1.00 0.00 C ATOM 78 SG CYS A 6 -4.121 -9.391 -2.451 1.00 0.00 S ATOM 0 H CYS A 6 -7.075 -9.853 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.192 -7.662 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.703 -7.698 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.406 -9.299 -3.181 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.399 -9.325 -1.183 1.00 0.00 H new ATOM 83 N GLY A 7 -3.038 -8.750 -5.667 1.00 0.00 N ATOM 84 CA GLY A 7 -1.827 -9.373 -6.161 1.00 0.00 C ATOM 85 C GLY A 7 -1.022 -10.026 -5.057 1.00 0.00 C ATOM 86 O GLY A 7 -0.034 -10.716 -5.317 1.00 0.00 O ATOM 0 H GLY A 7 -2.984 -7.737 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.086 -10.122 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.213 -8.623 -6.660 1.00 0.00 H new ATOM 90 N GLY A 8 -1.443 -9.804 -3.820 1.00 0.00 N ATOM 91 CA GLY A 8 -0.745 -10.364 -2.687 1.00 0.00 C ATOM 92 C GLY A 8 -1.160 -11.790 -2.402 1.00 0.00 C ATOM 93 O GLY A 8 -0.315 -12.686 -2.338 1.00 0.00 O ATOM 0 H GLY A 8 -2.261 -9.242 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.329 -10.331 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.935 -9.750 -1.807 1.00 0.00 H new ATOM 97 N CYS A 9 -2.453 -12.009 -2.213 1.00 0.00 N ATOM 98 CA CYS A 9 -2.948 -13.334 -1.878 1.00 0.00 C ATOM 99 C CYS A 9 -3.773 -13.924 -3.018 1.00 0.00 C ATOM 100 O CYS A 9 -3.858 -15.146 -3.160 1.00 0.00 O ATOM 101 CB CYS A 9 -3.773 -13.273 -0.595 1.00 0.00 C ATOM 102 SG CYS A 9 -5.375 -12.432 -0.776 1.00 0.00 S ATOM 0 H CYS A 9 -3.174 -11.291 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.091 -13.988 -1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.947 -14.289 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.192 -12.762 0.173 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.197 -11.276 -1.344 1.00 0.00 H new ATOM 107 N GLN A 10 -4.354 -13.043 -3.832 1.00 0.00 N ATOM 108 CA GLN A 10 -5.151 -13.438 -4.996 1.00 0.00 C ATOM 109 C GLN A 10 -6.442 -14.150 -4.593 1.00 0.00 C ATOM 110 O GLN A 10 -7.031 -14.871 -5.395 1.00 0.00 O ATOM 111 CB GLN A 10 -4.332 -14.324 -5.939 1.00 0.00 C ATOM 112 CG GLN A 10 -3.783 -13.580 -7.142 1.00 0.00 C ATOM 113 CD GLN A 10 -4.734 -13.599 -8.321 1.00 0.00 C ATOM 114 OE1 GLN A 10 -5.274 -12.564 -8.717 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.942 -14.774 -8.891 1.00 0.00 N ATOM 0 H GLN A 10 -4.286 -12.033 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.428 -12.522 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.503 -14.763 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.956 -15.148 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.577 -12.547 -6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.833 -14.026 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.474 -15.606 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.570 -14.849 -9.691 1.00 0.00 H new ATOM 124 N GLN A 11 -6.911 -13.902 -3.375 1.00 0.00 N ATOM 125 CA GLN A 11 -8.141 -14.524 -2.889 1.00 0.00 C ATOM 126 C GLN A 11 -9.377 -13.720 -3.300 1.00 0.00 C ATOM 127 O GLN A 11 -10.483 -13.993 -2.830 1.00 0.00 O ATOM 128 CB GLN A 11 -8.093 -14.670 -1.365 1.00 0.00 C ATOM 129 CG GLN A 11 -8.421 -13.387 -0.613 1.00 0.00 C ATOM 130 CD GLN A 11 -9.339 -13.613 0.566 1.00 0.00 C ATOM 131 OE1 GLN A 11 -10.327 -14.337 0.471 1.00 0.00 O ATOM 132 NE2 GLN A 11 -9.017 -12.991 1.688 1.00 0.00 N ATOM 0 H GLN A 11 -6.461 -13.277 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.217 -15.512 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.795 -15.447 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.098 -15.007 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.495 -12.930 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.887 -12.679 -1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.187 -12.399 1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.598 -13.104 2.518 1.00 0.00 H new ATOM 141 N ASN A 12 -9.164 -12.707 -4.147 1.00 0.00 N ATOM 142 CA ASN A 12 -10.231 -11.805 -4.607 1.00 0.00 C ATOM 143 C ASN A 12 -10.626 -10.825 -3.503 1.00 0.00 C ATOM 144 O ASN A 12 -10.776 -11.201 -2.340 1.00 0.00 O ATOM 145 CB ASN A 12 -11.460 -12.590 -5.100 1.00 0.00 C ATOM 146 CG ASN A 12 -12.629 -11.693 -5.472 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.680 -11.138 -6.568 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.582 -11.552 -4.564 1.00 0.00 N ATOM 0 H ASN A 12 -8.246 -12.487 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.840 -11.236 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.178 -13.188 -5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.776 -13.285 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.394 -10.967 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.505 -12.028 -3.665 1.00 0.00 H new ATOM 155 N ILE A 13 -10.764 -9.562 -3.868 1.00 0.00 N ATOM 156 CA ILE A 13 -11.121 -8.523 -2.915 1.00 0.00 C ATOM 157 C ILE A 13 -12.630 -8.310 -2.887 1.00 0.00 C ATOM 158 O ILE A 13 -13.198 -7.671 -3.775 1.00 0.00 O ATOM 159 CB ILE A 13 -10.422 -7.191 -3.240 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.965 -7.436 -3.641 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.491 -6.250 -2.045 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.425 -6.434 -4.638 1.00 0.00 C ATOM 0 H ILE A 13 -10.633 -9.229 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.785 -8.859 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.939 -6.725 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.344 -7.413 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.879 -8.437 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.992 -5.313 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.534 -6.052 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.996 -6.711 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.388 -6.676 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.020 -6.471 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.477 -5.432 -4.212 1.00 0.00 H new ATOM 174 N GLY A 14 -13.266 -8.845 -1.855 1.00 0.00 N ATOM 175 CA GLY A 14 -14.701 -8.710 -1.703 1.00 0.00 C ATOM 176 C GLY A 14 -15.064 -7.933 -0.459 1.00 0.00 C ATOM 177 O GLY A 14 -16.191 -8.014 0.037 1.00 0.00 O ATOM 0 H GLY A 14 -12.809 -9.375 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.113 -8.208 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.156 -9.699 -1.659 1.00 0.00 H new ATOM 181 N ASP A 15 -14.088 -7.216 0.071 1.00 0.00 N ATOM 182 CA ASP A 15 -14.272 -6.431 1.289 1.00 0.00 C ATOM 183 C ASP A 15 -15.014 -5.136 0.991 1.00 0.00 C ATOM 184 O ASP A 15 -15.408 -4.884 -0.149 1.00 0.00 O ATOM 185 CB ASP A 15 -12.921 -6.101 1.928 1.00 0.00 C ATOM 186 CG ASP A 15 -12.349 -7.258 2.712 1.00 0.00 C ATOM 187 OD1 ASP A 15 -13.033 -7.757 3.631 1.00 0.00 O ATOM 188 OD2 ASP A 15 -11.215 -7.679 2.408 1.00 0.00 O ATOM 0 H ASP A 15 -13.150 -7.159 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.862 -7.030 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.216 -5.812 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.036 -5.242 2.588 1.00 0.00 H new ATOM 193 N ARG A 16 -15.132 -4.284 1.999 1.00 0.00 N ATOM 194 CA ARG A 16 -15.758 -2.981 1.818 1.00 0.00 C ATOM 195 C ARG A 16 -14.704 -1.912 1.547 1.00 0.00 C ATOM 196 O ARG A 16 -14.979 -0.907 0.893 1.00 0.00 O ATOM 197 CB ARG A 16 -16.602 -2.591 3.041 1.00 0.00 C ATOM 198 CG ARG A 16 -16.045 -3.073 4.369 1.00 0.00 C ATOM 199 CD ARG A 16 -15.823 -1.916 5.329 1.00 0.00 C ATOM 200 NE ARG A 16 -14.422 -1.800 5.731 1.00 0.00 N ATOM 201 CZ ARG A 16 -13.975 -0.919 6.626 1.00 0.00 C ATOM 202 NH1 ARG A 16 -14.818 -0.102 7.244 1.00 0.00 N ATOM 203 NH2 ARG A 16 -12.680 -0.868 6.916 1.00 0.00 N ATOM 0 H ARG A 16 -14.804 -4.470 2.947 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.421 -3.051 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.694 -1.505 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.608 -2.992 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.733 -3.791 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.103 -3.595 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.143 -0.987 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.444 -2.055 6.214 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.746 -2.431 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.816 -0.145 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.469 0.570 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.029 -1.503 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.337 -0.194 7.601 1.00 0.00 H new ATOM 217 N TYR A 17 -13.488 -2.153 2.019 1.00 0.00 N ATOM 218 CA TYR A 17 -12.389 -1.221 1.810 1.00 0.00 C ATOM 219 C TYR A 17 -11.162 -1.988 1.335 1.00 0.00 C ATOM 220 O TYR A 17 -10.960 -3.137 1.736 1.00 0.00 O ATOM 221 CB TYR A 17 -12.071 -0.482 3.113 1.00 0.00 C ATOM 222 CG TYR A 17 -11.829 0.998 2.933 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.631 1.744 2.080 1.00 0.00 C ATOM 224 CD2 TYR A 17 -10.813 1.653 3.618 1.00 0.00 C ATOM 225 CE1 TYR A 17 -12.431 3.096 1.913 1.00 0.00 C ATOM 226 CE2 TYR A 17 -10.606 3.010 3.454 1.00 0.00 C ATOM 227 CZ TYR A 17 -11.419 3.726 2.599 1.00 0.00 C ATOM 228 OH TYR A 17 -11.221 5.078 2.428 1.00 0.00 O ATOM 0 H TYR A 17 -13.238 -2.987 2.550 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.675 -0.489 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.897 -0.623 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.189 -0.932 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.426 1.255 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.176 1.094 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.066 3.660 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.812 3.507 3.992 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.837 5.415 1.745 1.00 0.00 H new ATOM 238 N PHE A 18 -10.354 -1.375 0.478 1.00 0.00 N ATOM 239 CA PHE A 18 -9.158 -2.039 -0.025 1.00 0.00 C ATOM 240 C PHE A 18 -8.089 -1.045 -0.455 1.00 0.00 C ATOM 241 O PHE A 18 -8.295 0.168 -0.427 1.00 0.00 O ATOM 242 CB PHE A 18 -9.504 -2.988 -1.181 1.00 0.00 C ATOM 243 CG PHE A 18 -9.670 -2.325 -2.524 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.723 -1.459 -2.772 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.768 -2.584 -3.545 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.872 -0.866 -4.009 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.912 -1.994 -4.783 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.966 -1.133 -5.016 1.00 0.00 C ATOM 0 H PHE A 18 -10.502 -0.431 0.121 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.748 -2.624 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.720 -3.741 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.427 -3.513 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.435 -1.246 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.942 -3.257 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.697 -0.193 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.202 -2.205 -5.569 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.082 -0.669 -5.984 1.00 0.00 H new ATOM 258 N LEU A 19 -6.941 -1.579 -0.841 1.00 0.00 N ATOM 259 CA LEU A 19 -5.808 -0.768 -1.249 1.00 0.00 C ATOM 260 C LEU A 19 -5.334 -1.179 -2.636 1.00 0.00 C ATOM 261 O LEU A 19 -5.276 -2.362 -2.944 1.00 0.00 O ATOM 262 CB LEU A 19 -4.664 -0.938 -0.250 1.00 0.00 C ATOM 263 CG LEU A 19 -4.615 0.095 0.874 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.752 -0.408 2.019 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.090 1.420 0.347 1.00 0.00 C ATOM 0 H LEU A 19 -6.770 -2.584 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.119 0.276 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.738 -1.930 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.721 -0.902 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.626 0.250 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.727 0.340 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.169 -1.336 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.739 -0.589 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.060 2.148 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.086 1.280 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.747 1.784 -0.443 1.00 0.00 H new ATOM 277 N LYS A 20 -4.957 -0.207 -3.453 1.00 0.00 N ATOM 278 CA LYS A 20 -4.414 -0.483 -4.778 1.00 0.00 C ATOM 279 C LYS A 20 -3.683 0.756 -5.287 1.00 0.00 C ATOM 280 O LYS A 20 -4.107 1.874 -4.984 1.00 0.00 O ATOM 281 CB LYS A 20 -5.541 -0.923 -5.737 1.00 0.00 C ATOM 282 CG LYS A 20 -5.968 0.114 -6.768 1.00 0.00 C ATOM 283 CD LYS A 20 -7.185 0.902 -6.300 1.00 0.00 C ATOM 284 CE LYS A 20 -7.669 1.878 -7.363 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.500 1.213 -8.402 1.00 0.00 N ATOM 0 H LYS A 20 -5.017 0.785 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.699 -1.304 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.216 -1.821 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.412 -1.199 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.142 0.799 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.196 -0.382 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.990 0.212 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.936 1.449 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.249 2.670 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.809 2.352 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.807 1.916 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.940 0.474 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.335 0.783 -7.956 1.00 0.00 H new ATOM 299 N ALA A 21 -2.589 0.565 -6.037 1.00 0.00 N ATOM 300 CA ALA A 21 -1.810 1.693 -6.568 1.00 0.00 C ATOM 301 C ALA A 21 -0.552 1.219 -7.281 1.00 0.00 C ATOM 302 O ALA A 21 -0.168 1.788 -8.301 1.00 0.00 O ATOM 303 CB ALA A 21 -1.409 2.663 -5.465 1.00 0.00 C ATOM 0 H ALA A 21 -2.225 -0.354 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.457 2.203 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.835 3.484 -5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.304 3.058 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.801 2.142 -4.726 1.00 0.00 H new ATOM 309 N ILE A 22 0.156 0.278 -6.653 1.00 0.00 N ATOM 310 CA ILE A 22 1.457 -0.188 -7.142 1.00 0.00 C ATOM 311 C ILE A 22 1.431 -0.474 -8.643 1.00 0.00 C ATOM 312 O ILE A 22 2.269 0.029 -9.391 1.00 0.00 O ATOM 313 CB ILE A 22 1.906 -1.460 -6.381 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.425 -1.080 -4.990 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.964 -2.225 -7.170 1.00 0.00 C ATOM 316 CD1 ILE A 22 3.257 -2.152 -4.322 1.00 0.00 C ATOM 0 H ILE A 22 -0.153 -0.181 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 22 2.171 0.615 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 22 1.045 -2.118 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.022 -0.172 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.575 -0.844 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.262 -3.113 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.554 -2.522 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.834 -1.587 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.584 -1.802 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.659 -3.055 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.129 -2.373 -4.938 1.00 0.00 H new ATOM 328 N ASP A 23 0.413 -1.210 -9.067 1.00 0.00 N ATOM 329 CA ASP A 23 0.200 -1.541 -10.477 1.00 0.00 C ATOM 330 C ASP A 23 -0.942 -2.533 -10.587 1.00 0.00 C ATOM 331 O ASP A 23 -1.539 -2.716 -11.647 1.00 0.00 O ATOM 332 CB ASP A 23 1.455 -2.147 -11.115 1.00 0.00 C ATOM 333 CG ASP A 23 1.384 -2.138 -12.626 1.00 0.00 C ATOM 334 OD1 ASP A 23 1.123 -1.065 -13.207 1.00 0.00 O ATOM 335 OD2 ASP A 23 1.579 -3.209 -13.240 1.00 0.00 O ATOM 0 H ASP A 23 -0.294 -1.598 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.037 -0.619 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.333 -1.588 -10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.581 -3.171 -10.764 1.00 0.00 H new ATOM 340 N GLN A 24 -1.282 -3.109 -9.448 1.00 0.00 N ATOM 341 CA GLN A 24 -2.397 -4.023 -9.347 1.00 0.00 C ATOM 342 C GLN A 24 -3.169 -3.704 -8.084 1.00 0.00 C ATOM 343 O GLN A 24 -2.756 -2.840 -7.302 1.00 0.00 O ATOM 344 CB GLN A 24 -1.916 -5.480 -9.331 1.00 0.00 C ATOM 345 CG GLN A 24 -1.054 -5.833 -8.129 1.00 0.00 C ATOM 346 CD GLN A 24 0.380 -6.162 -8.509 1.00 0.00 C ATOM 347 OE1 GLN A 24 1.004 -5.292 -9.287 1.00 0.00 O flip ATOM 348 NE2 GLN A 24 0.920 -7.192 -8.105 1.00 0.00 N flip ATOM 0 H GLN A 24 -0.790 -2.954 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.043 -3.903 -10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.784 -6.139 -9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.349 -5.675 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.057 -4.998 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.493 -6.686 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.404 -7.837 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.883 -7.400 -8.369 1.00 0.00 H new ATOM 357 N TYR A 25 -4.261 -4.407 -7.874 1.00 0.00 N ATOM 358 CA TYR A 25 -5.071 -4.202 -6.687 1.00 0.00 C ATOM 359 C TYR A 25 -4.569 -5.089 -5.564 1.00 0.00 C ATOM 360 O TYR A 25 -3.899 -6.097 -5.806 1.00 0.00 O ATOM 361 CB TYR A 25 -6.548 -4.479 -6.975 1.00 0.00 C ATOM 362 CG TYR A 25 -7.008 -3.984 -8.328 1.00 0.00 C ATOM 363 CD1 TYR A 25 -6.721 -2.691 -8.759 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.716 -4.817 -9.182 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.130 -2.249 -10.002 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.126 -4.381 -10.428 1.00 0.00 C ATOM 367 CZ TYR A 25 -7.831 -3.098 -10.832 1.00 0.00 C ATOM 368 OH TYR A 25 -8.239 -2.664 -12.073 1.00 0.00 O ATOM 0 H TYR A 25 -4.610 -5.126 -8.508 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.983 -3.159 -6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.726 -5.552 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.154 -4.009 -6.201 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.171 -2.024 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.951 -5.823 -8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.902 -1.243 -10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.675 -5.043 -11.081 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.719 -3.386 -12.530 1.00 0.00 H new ATOM 378 N TRP A 26 -4.810 -4.663 -4.338 1.00 0.00 N ATOM 379 CA TRP A 26 -4.322 -5.373 -3.173 1.00 0.00 C ATOM 380 C TRP A 26 -5.406 -5.474 -2.111 1.00 0.00 C ATOM 381 O TRP A 26 -6.557 -5.092 -2.334 1.00 0.00 O ATOM 382 CB TRP A 26 -3.109 -4.656 -2.565 1.00 0.00 C ATOM 383 CG TRP A 26 -1.973 -4.426 -3.513 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.756 -3.319 -4.283 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.884 -5.313 -3.766 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.594 -3.469 -5.004 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.044 -4.687 -4.703 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.539 -6.579 -3.290 1.00 0.00 C ATOM 389 CZ2 TRP A 26 1.118 -5.287 -5.178 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.615 -7.175 -3.763 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.432 -6.526 -4.696 1.00 0.00 C ATOM 0 H TRP A 26 -5.345 -3.822 -4.124 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.031 -6.372 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.434 -3.694 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.745 -5.241 -1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.401 -2.454 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.206 -2.786 -5.655 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.162 -7.083 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.749 -4.791 -5.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.891 -8.157 -3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.330 -7.015 -5.042 1.00 0.00 H new ATOM 402 N HIS A 27 -4.983 -5.832 -0.916 1.00 0.00 N ATOM 403 CA HIS A 27 -5.852 -5.841 0.245 1.00 0.00 C ATOM 404 C HIS A 27 -5.330 -4.841 1.260 1.00 0.00 C ATOM 405 O HIS A 27 -4.219 -4.327 1.110 1.00 0.00 O ATOM 406 CB HIS A 27 -5.906 -7.235 0.869 1.00 0.00 C ATOM 407 CG HIS A 27 -7.021 -8.088 0.359 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.790 -9.313 -0.210 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.356 -7.860 0.373 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.968 -9.806 -0.527 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.956 -8.960 -0.192 1.00 0.00 N ATOM 0 H HIS A 27 -4.026 -6.126 -0.721 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.861 -5.567 -0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.960 -7.742 0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.005 -7.134 1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.854 -6.981 0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.121 -10.767 -0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.956 -9.105 -0.330 1.00 0.00 H new ATOM 419 N GLU A 28 -6.119 -4.574 2.289 1.00 0.00 N ATOM 420 CA GLU A 28 -5.749 -3.622 3.313 1.00 0.00 C ATOM 421 C GLU A 28 -4.573 -4.130 4.145 1.00 0.00 C ATOM 422 O GLU A 28 -3.728 -3.350 4.582 1.00 0.00 O ATOM 423 CB GLU A 28 -6.956 -3.366 4.201 1.00 0.00 C ATOM 424 CG GLU A 28 -8.057 -2.590 3.502 1.00 0.00 C ATOM 425 CD GLU A 28 -8.210 -1.182 4.035 1.00 0.00 C ATOM 426 OE1 GLU A 28 -8.642 -1.026 5.198 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.894 -0.230 3.299 1.00 0.00 O ATOM 0 H GLU A 28 -7.029 -5.011 2.434 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.433 -2.693 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.355 -4.320 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.638 -2.815 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.844 -2.548 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.001 -3.122 3.618 1.00 0.00 H new ATOM 434 N ASP A 29 -4.562 -5.430 4.419 1.00 0.00 N ATOM 435 CA ASP A 29 -3.533 -6.027 5.239 1.00 0.00 C ATOM 436 C ASP A 29 -2.498 -6.745 4.388 1.00 0.00 C ATOM 437 O ASP A 29 -1.403 -7.061 4.850 1.00 0.00 O ATOM 438 CB ASP A 29 -4.169 -7.005 6.221 1.00 0.00 C ATOM 439 CG ASP A 29 -4.739 -8.232 5.538 1.00 0.00 C ATOM 440 OD1 ASP A 29 -5.673 -8.079 4.724 1.00 0.00 O ATOM 441 OD2 ASP A 29 -4.261 -9.353 5.814 1.00 0.00 O ATOM 0 H ASP A 29 -5.263 -6.088 4.079 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.025 -5.233 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.423 -7.315 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.963 -6.498 6.770 1.00 0.00 H new ATOM 446 N CYS A 30 -2.861 -7.002 3.149 1.00 0.00 N ATOM 447 CA CYS A 30 -1.988 -7.709 2.226 1.00 0.00 C ATOM 448 C CYS A 30 -0.834 -6.826 1.781 1.00 0.00 C ATOM 449 O CYS A 30 0.323 -7.246 1.814 1.00 0.00 O ATOM 450 CB CYS A 30 -2.780 -8.198 1.015 1.00 0.00 C ATOM 451 SG CYS A 30 -3.605 -9.803 1.283 1.00 0.00 S ATOM 0 H CYS A 30 -3.761 -6.731 2.752 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.573 -8.572 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.531 -7.451 0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.108 -8.282 0.161 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.787 -9.779 0.742 1.00 0.00 H new ATOM 456 N LEU A 31 -1.168 -5.614 1.358 1.00 0.00 N ATOM 457 CA LEU A 31 -0.183 -4.654 0.874 1.00 0.00 C ATOM 458 C LEU A 31 0.922 -4.413 1.900 1.00 0.00 C ATOM 459 O LEU A 31 0.739 -3.676 2.872 1.00 0.00 O ATOM 460 CB LEU A 31 -0.864 -3.326 0.535 1.00 0.00 C ATOM 461 CG LEU A 31 -0.525 -2.753 -0.843 1.00 0.00 C ATOM 462 CD1 LEU A 31 -1.104 -1.359 -0.988 1.00 0.00 C ATOM 463 CD2 LEU A 31 0.980 -2.731 -1.074 1.00 0.00 C ATOM 0 H LEU A 31 -2.128 -5.268 1.340 1.00 0.00 H new ATOM 0 HA LEU A 31 0.272 -5.075 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.943 -3.463 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.591 -2.592 1.293 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.970 -3.400 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.856 -0.963 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.187 -1.402 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.685 -0.709 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.191 -2.319 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.456 -2.112 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.372 -3.746 -1.013 1.00 0.00 H new ATOM 475 N SER A 32 2.075 -5.016 1.657 1.00 0.00 N ATOM 476 CA SER A 32 3.239 -4.836 2.510 1.00 0.00 C ATOM 477 C SER A 32 4.507 -4.952 1.674 1.00 0.00 C ATOM 478 O SER A 32 4.481 -5.503 0.574 1.00 0.00 O ATOM 479 CB SER A 32 3.257 -5.878 3.635 1.00 0.00 C ATOM 480 OG SER A 32 1.942 -6.239 4.025 1.00 0.00 O ATOM 0 H SER A 32 2.230 -5.641 0.866 1.00 0.00 H new ATOM 0 HA SER A 32 3.190 -3.846 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.796 -6.765 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.797 -5.479 4.494 1.00 0.00 H new ATOM 0 HG SER A 32 1.501 -6.712 3.289 1.00 0.00 H new ATOM 486 N CYS A 33 5.608 -4.440 2.200 1.00 0.00 N ATOM 487 CA CYS A 33 6.886 -4.515 1.515 1.00 0.00 C ATOM 488 C CYS A 33 7.301 -5.972 1.332 1.00 0.00 C ATOM 489 O CYS A 33 6.960 -6.835 2.147 1.00 0.00 O ATOM 490 CB CYS A 33 7.939 -3.747 2.316 1.00 0.00 C ATOM 491 SG CYS A 33 9.668 -3.999 1.789 1.00 0.00 S ATOM 0 H CYS A 33 5.641 -3.966 3.103 1.00 0.00 H new ATOM 0 HA CYS A 33 6.796 -4.063 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.711 -2.683 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.852 -4.033 3.364 1.00 0.00 H new ATOM 0 HG CYS A 33 10.464 -3.786 2.795 1.00 0.00 H new ATOM 496 N ASP A 34 7.985 -6.237 0.231 1.00 0.00 N ATOM 497 CA ASP A 34 8.423 -7.585 -0.119 1.00 0.00 C ATOM 498 C ASP A 34 9.333 -8.159 0.954 1.00 0.00 C ATOM 499 O ASP A 34 9.388 -9.371 1.158 1.00 0.00 O ATOM 500 CB ASP A 34 9.178 -7.560 -1.450 1.00 0.00 C ATOM 501 CG ASP A 34 8.957 -8.816 -2.271 1.00 0.00 C ATOM 502 OD1 ASP A 34 7.923 -8.905 -2.967 1.00 0.00 O ATOM 503 OD2 ASP A 34 9.824 -9.712 -2.244 1.00 0.00 O ATOM 0 H ASP A 34 8.254 -5.525 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 34 7.537 -8.214 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.859 -6.692 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.244 -7.440 -1.256 1.00 0.00 H new ATOM 508 N LEU A 35 10.099 -7.286 1.582 1.00 0.00 N ATOM 509 CA LEU A 35 11.080 -7.708 2.565 1.00 0.00 C ATOM 510 C LEU A 35 10.622 -7.395 3.989 1.00 0.00 C ATOM 511 O LEU A 35 10.732 -8.246 4.877 1.00 0.00 O ATOM 512 CB LEU A 35 12.423 -7.048 2.264 1.00 0.00 C ATOM 513 CG LEU A 35 13.543 -7.340 3.262 1.00 0.00 C ATOM 514 CD1 LEU A 35 13.642 -8.832 3.552 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.869 -6.817 2.734 1.00 0.00 C ATOM 0 H LEU A 35 10.061 -6.278 1.428 1.00 0.00 H new ATOM 0 HA LEU A 35 11.192 -8.790 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.750 -7.367 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.275 -5.969 2.218 1.00 0.00 H new ATOM 0 HG LEU A 35 13.307 -6.828 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.447 -9.011 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.700 -9.184 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.850 -9.369 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.658 -7.032 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.101 -7.304 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.800 -5.740 2.581 1.00 0.00 H new ATOM 527 N CYS A 36 10.082 -6.197 4.202 1.00 0.00 N ATOM 528 CA CYS A 36 9.563 -5.821 5.516 1.00 0.00 C ATOM 529 C CYS A 36 8.474 -6.796 5.951 1.00 0.00 C ATOM 530 O CYS A 36 8.558 -7.415 7.013 1.00 0.00 O ATOM 531 CB CYS A 36 8.984 -4.403 5.497 1.00 0.00 C ATOM 532 SG CYS A 36 10.222 -3.067 5.485 1.00 0.00 S ATOM 0 H CYS A 36 9.992 -5.474 3.488 1.00 0.00 H new ATOM 0 HA CYS A 36 10.393 -5.854 6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.349 -4.298 4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.343 -4.277 6.370 1.00 0.00 H new ATOM 0 HG CYS A 36 11.203 -3.392 4.696 1.00 0.00 H new ATOM 537 N GLY A 37 7.489 -6.968 5.082 1.00 0.00 N ATOM 538 CA GLY A 37 6.413 -7.908 5.340 1.00 0.00 C ATOM 539 C GLY A 37 5.511 -7.482 6.486 1.00 0.00 C ATOM 540 O GLY A 37 4.837 -8.315 7.091 1.00 0.00 O ATOM 0 H GLY A 37 7.414 -6.470 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.814 -8.022 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.839 -8.886 5.565 1.00 0.00 H new ATOM 710 N TYR A 48 6.462 3.606 -1.710 1.00 0.00 N ATOM 711 CA TYR A 48 7.545 3.480 -2.653 1.00 0.00 C ATOM 712 C TYR A 48 7.861 2.014 -2.902 1.00 0.00 C ATOM 713 O TYR A 48 8.009 1.232 -1.967 1.00 0.00 O ATOM 714 CB TYR A 48 8.796 4.205 -2.161 1.00 0.00 C ATOM 715 CG TYR A 48 9.986 3.983 -3.062 1.00 0.00 C ATOM 716 CD1 TYR A 48 10.058 4.591 -4.306 1.00 0.00 C ATOM 717 CD2 TYR A 48 11.023 3.146 -2.681 1.00 0.00 C ATOM 718 CE1 TYR A 48 11.136 4.376 -5.142 1.00 0.00 C ATOM 719 CE2 TYR A 48 12.106 2.927 -3.510 1.00 0.00 C ATOM 720 CZ TYR A 48 12.159 3.545 -4.740 1.00 0.00 C ATOM 721 OH TYR A 48 13.242 3.334 -5.565 1.00 0.00 O ATOM 0 HA TYR A 48 7.228 3.943 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.590 5.273 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.038 3.863 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.259 5.243 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.984 2.656 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.177 4.858 -6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.907 2.275 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 48 13.251 4.012 -6.272 1.00 0.00 H new ATOM 731 N TYR A 49 8.033 1.685 -4.165 1.00 0.00 N ATOM 732 CA TYR A 49 8.443 0.360 -4.577 1.00 0.00 C ATOM 733 C TYR A 49 9.366 0.506 -5.775 1.00 0.00 C ATOM 734 O TYR A 49 9.315 1.522 -6.476 1.00 0.00 O ATOM 735 CB TYR A 49 7.220 -0.507 -4.921 1.00 0.00 C ATOM 736 CG TYR A 49 6.557 -0.158 -6.238 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.881 1.045 -6.403 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.611 -1.033 -7.315 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.281 1.366 -7.603 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.012 -0.716 -8.521 1.00 0.00 C ATOM 741 CZ TYR A 49 5.350 0.484 -8.659 1.00 0.00 C ATOM 742 OH TYR A 49 4.751 0.806 -9.857 1.00 0.00 O ATOM 0 H TYR A 49 7.891 2.334 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 49 8.969 -0.141 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.527 -1.553 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.485 -0.411 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.824 1.740 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.128 -1.975 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.759 2.305 -7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.063 -1.406 -9.350 1.00 0.00 H new ATOM 0 HH TYR A 49 3.779 0.840 -9.738 1.00 0.00 H new ATOM 752 N LYS A 50 10.201 -0.488 -6.009 1.00 0.00 N ATOM 753 CA LYS A 50 11.089 -0.464 -7.153 1.00 0.00 C ATOM 754 C LYS A 50 10.321 -0.887 -8.396 1.00 0.00 C ATOM 755 O LYS A 50 9.319 -1.588 -8.294 1.00 0.00 O ATOM 756 CB LYS A 50 12.291 -1.382 -6.927 1.00 0.00 C ATOM 757 CG LYS A 50 13.627 -0.652 -6.952 1.00 0.00 C ATOM 758 CD LYS A 50 14.669 -1.420 -7.750 1.00 0.00 C ATOM 759 CE LYS A 50 15.670 -0.482 -8.409 1.00 0.00 C ATOM 760 NZ LYS A 50 16.716 -1.228 -9.158 1.00 0.00 N ATOM 0 H LYS A 50 10.282 -1.319 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 50 11.465 0.550 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.179 -1.884 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.295 -2.157 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.493 0.339 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.983 -0.508 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.195 -2.112 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.174 -2.020 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.146 0.190 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.142 0.139 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.379 -0.555 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.233 -1.850 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.268 -1.802 -9.901 1.00 0.00 H new ATOM 774 N LEU A 51 10.763 -0.390 -9.543 1.00 0.00 N ATOM 775 CA LEU A 51 10.093 -0.604 -10.833 1.00 0.00 C ATOM 776 C LEU A 51 9.540 -2.025 -11.016 1.00 0.00 C ATOM 777 O LEU A 51 8.505 -2.205 -11.654 1.00 0.00 O ATOM 778 CB LEU A 51 11.054 -0.261 -11.983 1.00 0.00 C ATOM 779 CG LEU A 51 12.099 -1.329 -12.330 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.851 -0.943 -13.592 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.066 -1.536 -11.176 1.00 0.00 C ATOM 0 H LEU A 51 11.606 0.180 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 51 9.230 0.062 -10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.462 -0.057 -12.875 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.577 0.661 -11.730 1.00 0.00 H new ATOM 0 HG LEU A 51 11.579 -2.270 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.589 -1.711 -13.825 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.149 -0.851 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.356 0.011 -13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.797 -2.298 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.580 -0.600 -10.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.515 -1.859 -10.293 1.00 0.00 H new ATOM 793 N GLY A 52 10.239 -3.029 -10.497 1.00 0.00 N ATOM 794 CA GLY A 52 9.791 -4.396 -10.669 1.00 0.00 C ATOM 795 C GLY A 52 9.715 -5.166 -9.364 1.00 0.00 C ATOM 796 O GLY A 52 9.510 -6.379 -9.372 1.00 0.00 O ATOM 0 H GLY A 52 11.102 -2.921 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.808 -4.393 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.469 -4.911 -11.349 1.00 0.00 H new ATOM 800 N ARG A 53 9.839 -4.471 -8.239 1.00 0.00 N ATOM 801 CA ARG A 53 9.751 -5.129 -6.935 1.00 0.00 C ATOM 802 C ARG A 53 9.104 -4.215 -5.906 1.00 0.00 C ATOM 803 O ARG A 53 9.562 -3.097 -5.682 1.00 0.00 O ATOM 804 CB ARG A 53 11.134 -5.575 -6.439 1.00 0.00 C ATOM 805 CG ARG A 53 12.298 -4.845 -7.088 1.00 0.00 C ATOM 806 CD ARG A 53 13.625 -5.485 -6.728 1.00 0.00 C ATOM 807 NE ARG A 53 14.353 -5.901 -7.918 1.00 0.00 N ATOM 808 CZ ARG A 53 15.082 -7.012 -8.001 1.00 0.00 C ATOM 809 NH1 ARG A 53 15.223 -7.799 -6.939 1.00 0.00 N ATOM 810 NH2 ARG A 53 15.680 -7.324 -9.144 1.00 0.00 N ATOM 0 H ARG A 53 9.999 -3.464 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 53 9.128 -6.014 -7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.185 -5.428 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.244 -6.644 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.173 -4.849 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.298 -3.802 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.229 -4.779 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.452 -6.348 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 53 14.301 -5.302 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.772 -7.552 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.782 -8.650 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.580 -6.713 -9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.239 -8.174 -9.211 1.00 0.00 H new ATOM 824 N LYS A 54 8.072 -4.719 -5.246 1.00 0.00 N ATOM 825 CA LYS A 54 7.374 -3.954 -4.218 1.00 0.00 C ATOM 826 C LYS A 54 8.115 -4.028 -2.884 1.00 0.00 C ATOM 827 O LYS A 54 7.590 -4.523 -1.889 1.00 0.00 O ATOM 828 CB LYS A 54 5.931 -4.457 -4.060 1.00 0.00 C ATOM 829 CG LYS A 54 5.781 -5.965 -4.177 1.00 0.00 C ATOM 830 CD LYS A 54 5.006 -6.539 -3.003 1.00 0.00 C ATOM 831 CE LYS A 54 4.608 -7.986 -3.249 1.00 0.00 C ATOM 832 NZ LYS A 54 5.346 -8.922 -2.362 1.00 0.00 N ATOM 0 H LYS A 54 7.698 -5.655 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 54 7.346 -2.911 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.552 -4.140 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.307 -3.981 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.269 -6.210 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.767 -6.427 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.613 -6.477 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.112 -5.940 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.536 -8.100 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.802 -8.244 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.833 -9.825 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.298 -9.088 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.425 -8.509 -1.411 1.00 0.00 H new ATOM 846 N LEU A 55 9.313 -3.473 -2.860 1.00 0.00 N ATOM 847 CA LEU A 55 10.100 -3.399 -1.643 1.00 0.00 C ATOM 848 C LEU A 55 10.494 -1.949 -1.393 1.00 0.00 C ATOM 849 O LEU A 55 10.509 -1.143 -2.329 1.00 0.00 O ATOM 850 CB LEU A 55 11.327 -4.314 -1.748 1.00 0.00 C ATOM 851 CG LEU A 55 12.663 -3.620 -2.009 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.800 -4.462 -1.459 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.853 -3.371 -3.497 1.00 0.00 C ATOM 0 H LEU A 55 9.765 -3.064 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 55 9.511 -3.747 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.411 -4.883 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.152 -5.033 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 55 12.663 -2.656 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.749 -3.961 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.668 -4.594 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.800 -5.436 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.810 -2.876 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.839 -4.322 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.047 -2.736 -3.866 1.00 0.00 H new ATOM 865 N CYS A 56 10.652 -1.584 -0.126 1.00 0.00 N ATOM 866 CA CYS A 56 10.863 -0.188 0.232 1.00 0.00 C ATOM 867 C CYS A 56 12.195 0.344 -0.274 1.00 0.00 C ATOM 868 O CYS A 56 13.053 -0.401 -0.750 1.00 0.00 O ATOM 869 CB CYS A 56 10.795 0.010 1.745 1.00 0.00 C ATOM 870 SG CYS A 56 11.990 -0.991 2.688 1.00 0.00 S ATOM 0 H CYS A 56 10.638 -2.229 0.664 1.00 0.00 H new ATOM 0 HA CYS A 56 10.061 0.372 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.964 1.063 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.788 -0.231 2.086 1.00 0.00 H new ATOM 0 HG CYS A 56 11.363 -1.663 3.607 1.00 0.00 H new ATOM 875 N ARG A 57 12.390 1.631 -0.056 1.00 0.00 N ATOM 876 CA ARG A 57 13.635 2.292 -0.425 1.00 0.00 C ATOM 877 C ARG A 57 14.740 1.930 0.551 1.00 0.00 C ATOM 878 O ARG A 57 15.909 1.907 0.189 1.00 0.00 O ATOM 879 CB ARG A 57 13.460 3.813 -0.454 1.00 0.00 C ATOM 880 CG ARG A 57 14.714 4.565 -0.880 1.00 0.00 C ATOM 881 CD ARG A 57 14.986 4.401 -2.365 1.00 0.00 C ATOM 882 NE ARG A 57 15.968 5.364 -2.856 1.00 0.00 N ATOM 883 CZ ARG A 57 16.187 5.609 -4.147 1.00 0.00 C ATOM 884 NH1 ARG A 57 15.497 4.966 -5.078 1.00 0.00 N ATOM 885 NH2 ARG A 57 17.095 6.507 -4.511 1.00 0.00 N ATOM 0 H ARG A 57 11.700 2.245 0.377 1.00 0.00 H new ATOM 0 HA ARG A 57 13.909 1.949 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.647 4.064 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.161 4.155 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.602 5.623 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.569 4.201 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.344 3.390 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.055 4.520 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 57 16.519 5.880 -2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.793 4.279 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 57 15.670 5.158 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.627 7.011 -3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.261 6.693 -5.500 1.00 0.00 H new ATOM 899 N ARG A 58 14.362 1.651 1.787 1.00 0.00 N ATOM 900 CA ARG A 58 15.337 1.329 2.817 1.00 0.00 C ATOM 901 C ARG A 58 15.869 -0.083 2.626 1.00 0.00 C ATOM 902 O ARG A 58 17.079 -0.310 2.669 1.00 0.00 O ATOM 903 CB ARG A 58 14.740 1.491 4.223 1.00 0.00 C ATOM 904 CG ARG A 58 13.223 1.614 4.256 1.00 0.00 C ATOM 905 CD ARG A 58 12.773 3.057 4.113 1.00 0.00 C ATOM 906 NE ARG A 58 12.453 3.655 5.407 1.00 0.00 N ATOM 907 CZ ARG A 58 12.759 4.905 5.746 1.00 0.00 C ATOM 908 NH1 ARG A 58 13.302 5.727 4.856 1.00 0.00 N ATOM 909 NH2 ARG A 58 12.483 5.348 6.964 1.00 0.00 N ATOM 0 H ARG A 58 13.392 1.641 2.101 1.00 0.00 H new ATOM 0 HA ARG A 58 16.165 2.031 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.035 0.635 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.174 2.376 4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.792 1.017 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.845 1.206 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.559 3.637 3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.898 3.103 3.465 1.00 0.00 H new ATOM 0 HE ARG A 58 11.965 3.079 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.487 5.401 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.535 6.684 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.036 4.731 7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.718 6.306 7.224 1.00 0.00 H new ATOM 923 N ASP A 59 14.971 -1.017 2.351 1.00 0.00 N ATOM 924 CA ASP A 59 15.367 -2.394 2.102 1.00 0.00 C ATOM 925 C ASP A 59 16.170 -2.480 0.825 1.00 0.00 C ATOM 926 O ASP A 59 17.263 -3.041 0.805 1.00 0.00 O ATOM 927 CB ASP A 59 14.146 -3.305 2.005 1.00 0.00 C ATOM 928 CG ASP A 59 13.643 -3.747 3.360 1.00 0.00 C ATOM 929 OD1 ASP A 59 14.434 -3.709 4.338 1.00 0.00 O ATOM 930 OD2 ASP A 59 12.483 -4.194 3.447 1.00 0.00 O ATOM 0 H ASP A 59 13.967 -0.847 2.295 1.00 0.00 H new ATOM 0 HA ASP A 59 15.981 -2.727 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.348 -2.782 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.399 -4.183 1.411 1.00 0.00 H new ATOM 935 N TYR A 60 15.668 -1.827 -0.213 1.00 0.00 N ATOM 936 CA TYR A 60 16.363 -1.765 -1.486 1.00 0.00 C ATOM 937 C TYR A 60 17.739 -1.130 -1.304 1.00 0.00 C ATOM 938 O TYR A 60 18.716 -1.565 -1.909 1.00 0.00 O ATOM 939 CB TYR A 60 15.522 -0.979 -2.508 1.00 0.00 C ATOM 940 CG TYR A 60 16.318 -0.038 -3.385 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.607 1.254 -2.965 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.784 -0.445 -4.627 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.341 2.112 -3.760 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.518 0.408 -5.426 1.00 0.00 C ATOM 945 CZ TYR A 60 17.795 1.683 -4.987 1.00 0.00 C ATOM 946 OH TYR A 60 18.528 2.531 -5.777 1.00 0.00 O ATOM 0 H TYR A 60 14.777 -1.331 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 60 16.504 -2.777 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.992 -1.687 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.766 -0.404 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.252 1.593 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.569 -1.445 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.558 3.114 -3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.873 0.077 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 60 18.772 2.074 -6.609 1.00 0.00 H new ATOM 1420 N LEU A 96 2.623 6.019 -4.210 1.00 0.00 N ATOM 1421 CA LEU A 96 1.672 6.270 -3.121 1.00 0.00 C ATOM 1422 C LEU A 96 0.639 5.148 -3.033 1.00 0.00 C ATOM 1423 O LEU A 96 0.748 4.135 -3.725 1.00 0.00 O ATOM 1424 CB LEU A 96 0.963 7.618 -3.307 1.00 0.00 C ATOM 1425 CG LEU A 96 1.862 8.847 -3.217 1.00 0.00 C ATOM 1426 CD1 LEU A 96 2.025 9.484 -4.585 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.292 9.846 -2.227 1.00 0.00 C ATOM 0 HA LEU A 96 2.238 6.301 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.470 7.619 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.180 7.705 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 96 2.845 8.535 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.669 10.360 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.474 8.765 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.049 9.785 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.944 10.718 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.299 10.155 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.223 9.384 -1.242 1.00 0.00 H new ATOM 1439 N ILE A 97 -0.381 5.347 -2.209 1.00 0.00 N ATOM 1440 CA ILE A 97 -1.481 4.398 -2.106 1.00 0.00 C ATOM 1441 C ILE A 97 -2.725 5.096 -1.609 1.00 0.00 C ATOM 1442 O ILE A 97 -2.677 5.873 -0.657 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.203 3.210 -1.160 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.023 3.467 -0.291 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.046 1.927 -1.961 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.041 2.798 1.064 1.00 0.00 C ATOM 0 H ILE A 97 -0.469 6.160 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.610 4.000 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.057 3.099 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.911 3.117 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.139 4.542 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.850 1.096 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.962 1.732 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.213 2.032 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.865 3.026 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.909 3.166 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.125 1.719 0.933 1.00 0.00 H new ATOM 1458 N THR A 98 -3.842 4.783 -2.221 1.00 0.00 N ATOM 1459 CA THR A 98 -5.098 5.329 -1.804 1.00 0.00 C ATOM 1460 C THR A 98 -6.029 4.193 -1.404 1.00 0.00 C ATOM 1461 O THR A 98 -6.162 3.196 -2.124 1.00 0.00 O ATOM 1462 CB THR A 98 -5.710 6.213 -2.921 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.721 7.587 -2.503 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.119 5.780 -3.296 1.00 0.00 C ATOM 0 H THR A 98 -3.900 4.147 -3.016 1.00 0.00 H new ATOM 0 HA THR A 98 -4.949 5.974 -0.938 1.00 0.00 H new ATOM 0 HB THR A 98 -5.086 6.095 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.107 8.142 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.503 6.431 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.100 4.751 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.766 5.848 -2.421 1.00 0.00 H new ATOM 1472 N ARG A 99 -6.600 4.307 -0.219 1.00 0.00 N ATOM 1473 CA ARG A 99 -7.515 3.300 0.276 1.00 0.00 C ATOM 1474 C ARG A 99 -8.865 3.519 -0.372 1.00 0.00 C ATOM 1475 O ARG A 99 -9.545 4.507 -0.088 1.00 0.00 O ATOM 1476 CB ARG A 99 -7.641 3.368 1.799 1.00 0.00 C ATOM 1477 CG ARG A 99 -6.382 3.847 2.502 1.00 0.00 C ATOM 1478 CD ARG A 99 -5.687 2.714 3.240 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.612 1.937 4.066 1.00 0.00 N ATOM 1480 CZ ARG A 99 -6.773 2.114 5.370 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -6.139 3.097 5.995 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -7.584 1.314 6.045 1.00 0.00 N ATOM 0 H ARG A 99 -6.445 5.089 0.418 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.132 2.311 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.464 4.035 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.902 2.379 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.699 4.279 1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.637 4.639 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.207 2.054 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.898 3.124 3.870 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.168 1.214 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.524 3.721 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.266 3.229 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.081 0.566 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.711 1.446 7.048 1.00 0.00 H new ATOM 1496 N LEU A 100 -9.178 2.695 -1.351 1.00 0.00 N ATOM 1497 CA LEU A 100 -10.389 2.884 -2.118 1.00 0.00 C ATOM 1498 C LEU A 100 -11.557 2.182 -1.472 1.00 0.00 C ATOM 1499 O LEU A 100 -11.392 1.280 -0.649 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.226 2.387 -3.548 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.921 3.240 -4.610 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.898 4.033 -5.406 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.758 2.369 -5.533 1.00 0.00 C ATOM 0 H LEU A 100 -8.614 1.893 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.587 3.956 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.162 2.338 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.613 1.370 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.586 3.942 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.409 4.635 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.342 4.687 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.208 3.347 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.244 2.995 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.115 1.642 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.516 1.845 -4.951 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.725 2.562 -1.922 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.962 1.977 -1.448 1.00 0.00 C ATOM 1517 C GLU A 101 -14.450 0.947 -2.452 1.00 0.00 C ATOM 1518 O GLU A 101 -14.466 1.206 -3.656 1.00 0.00 O ATOM 1519 CB GLU A 101 -15.015 3.069 -1.233 1.00 0.00 C ATOM 1520 CG GLU A 101 -14.453 4.482 -1.321 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.324 5.159 0.031 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -15.294 5.135 0.815 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -13.247 5.734 0.311 1.00 0.00 O ATOM 0 H GLU A 101 -12.850 3.287 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.788 1.483 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.804 2.953 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.476 2.930 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.473 4.447 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.098 5.084 -1.961 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.725 -0.254 -1.973 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.114 -1.349 -2.850 1.00 0.00 C ATOM 1532 C ASN A 102 -16.625 -1.369 -3.048 1.00 0.00 C ATOM 1533 O ASN A 102 -17.339 -0.539 -2.493 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.634 -2.684 -2.273 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.420 -3.744 -3.340 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.540 -3.477 -4.536 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.117 -4.958 -2.907 1.00 0.00 N ATOM 0 H ASN A 102 -14.687 -0.497 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.644 -1.197 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.701 -2.526 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.365 -3.046 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.973 -5.716 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.027 -5.135 -1.906 1.00 0.00 H new ATOM 1544 N THR A 103 -17.097 -2.319 -3.844 1.00 0.00 N ATOM 1545 CA THR A 103 -18.515 -2.462 -4.148 1.00 0.00 C ATOM 1546 C THR A 103 -19.375 -2.488 -2.881 1.00 0.00 C ATOM 1547 O THR A 103 -20.374 -1.774 -2.787 1.00 0.00 O ATOM 1548 CB THR A 103 -18.748 -3.751 -4.955 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.970 -3.710 -6.159 1.00 0.00 O ATOM 1550 CG2 THR A 103 -20.217 -3.930 -5.293 1.00 0.00 C ATOM 0 H THR A 103 -16.506 -3.015 -4.299 1.00 0.00 H new ATOM 0 HA THR A 103 -18.814 -1.593 -4.735 1.00 0.00 H new ATOM 0 HB THR A 103 -18.438 -4.600 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.117 -4.532 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.350 -4.849 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.798 -3.987 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.560 -3.082 -5.886 1.00 0.00 H new