USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 11 SER OG : rot -84:sc= 0.381 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc= 0.338 USER MOD Set 2.1: C 13 ASN : amide:sc=-0.00117 X(o=-0.0012,f=-0.48) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0239 K(o=-0.024,f=-0.67) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -92:sc= 0.53 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.473 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.0101 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.00652 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -110:sc= 0.262 USER MOD Single : A 28 GLN : amide:sc= -0.733 X(o=-0.73,f=-0.35) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 35 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0835 (180deg=-0.503) USER MOD Single : A 43 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -124:sc= -0.0176 (180deg=-0.317) USER MOD Single : C 1 MET N :NH3+ 133:sc= 0.0112 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 143:sc= 0.516 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -1.03 F(o=-4.2!,f=-1) USER MOD Single : C 29 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.59) USER MOD Single : C 35 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-4.3!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.794 -4.953 -11.296 1.00 0.00 N ATOM 2 CA MET A 1 -5.788 -4.084 -10.103 1.00 0.00 C ATOM 3 C MET A 1 -6.886 -4.495 -9.139 1.00 0.00 C ATOM 4 O MET A 1 -8.017 -4.725 -9.561 1.00 0.00 O ATOM 5 CB MET A 1 -5.960 -2.618 -10.506 1.00 0.00 C ATOM 6 CG MET A 1 -5.716 -1.654 -9.345 1.00 0.00 C ATOM 7 SD MET A 1 -3.971 -1.365 -8.980 1.00 0.00 S ATOM 8 CE MET A 1 -3.646 -0.232 -10.349 1.00 0.00 C ATOM 0 H1 MET A 1 -5.563 -4.388 -12.138 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.087 -5.707 -11.180 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.736 -5.377 -11.412 1.00 0.00 H new ATOM 0 HA MET A 1 -4.826 -4.197 -9.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.270 -2.385 -11.317 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.968 -2.468 -10.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.191 -0.700 -9.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.203 -2.047 -8.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.776 -0.577 -10.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.513 -0.201 -11.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.452 0.766 -9.957 1.00 0.00 H new ATOM 20 N LEU A 2 -6.554 -4.583 -7.852 1.00 0.00 N ATOM 21 CA LEU A 2 -7.524 -4.817 -6.794 1.00 0.00 C ATOM 22 C LEU A 2 -7.392 -3.611 -5.872 1.00 0.00 C ATOM 23 O LEU A 2 -6.289 -3.275 -5.442 1.00 0.00 O ATOM 24 CB LEU A 2 -7.224 -6.163 -6.125 1.00 0.00 C ATOM 25 CG LEU A 2 -8.181 -6.552 -4.989 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.826 -5.836 -3.687 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.639 -6.254 -5.328 1.00 0.00 C ATOM 0 H LEU A 2 -5.595 -4.493 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.556 -4.898 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.251 -6.943 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.208 -6.137 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.064 -7.628 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.524 -6.135 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.812 -6.103 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.888 -4.758 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.274 -6.547 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.758 -5.187 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.928 -6.814 -6.217 1.00 0.00 H new ATOM 39 N ILE A 3 -8.514 -2.959 -5.565 1.00 0.00 N ATOM 40 CA ILE A 3 -8.485 -1.654 -4.922 1.00 0.00 C ATOM 41 C ILE A 3 -9.257 -1.681 -3.621 1.00 0.00 C ATOM 42 O ILE A 3 -10.272 -2.367 -3.499 1.00 0.00 O ATOM 43 CB ILE A 3 -9.076 -0.632 -5.900 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.280 -0.735 -7.207 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.029 0.799 -5.350 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.949 0.013 -8.344 1.00 0.00 C ATOM 0 H ILE A 3 -9.451 -3.316 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.460 -1.376 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.130 -0.857 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.277 -0.337 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.168 -1.784 -7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.459 1.484 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.600 0.851 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.994 1.080 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.349 -0.088 -9.249 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.942 -0.402 -8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.037 1.068 -8.083 1.00 0.00 H new ATOM 58 N LEU A 4 -8.747 -0.919 -2.655 1.00 0.00 N ATOM 59 CA LEU A 4 -9.286 -0.850 -1.313 1.00 0.00 C ATOM 60 C LEU A 4 -9.222 0.598 -0.845 1.00 0.00 C ATOM 61 O LEU A 4 -8.420 1.387 -1.345 1.00 0.00 O ATOM 62 CB LEU A 4 -8.477 -1.779 -0.401 1.00 0.00 C ATOM 63 CG LEU A 4 -8.597 -3.246 -0.842 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.613 -4.113 -0.064 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.999 -3.783 -0.580 1.00 0.00 C ATOM 0 H LEU A 4 -7.931 -0.323 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.325 -1.178 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.429 -1.479 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.827 -1.677 0.626 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.380 -3.283 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.708 -5.150 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.596 -3.767 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.830 -4.043 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.056 -4.823 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.220 -3.720 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.725 -3.191 -1.137 1.00 0.00 H new ATOM 77 N THR A 5 -10.076 0.945 0.119 1.00 0.00 N ATOM 78 CA THR A 5 -10.191 2.317 0.573 1.00 0.00 C ATOM 79 C THR A 5 -10.045 2.366 2.085 1.00 0.00 C ATOM 80 O THR A 5 -10.599 1.535 2.810 1.00 0.00 O ATOM 81 CB THR A 5 -11.533 2.891 0.098 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.690 2.619 -1.276 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.591 4.405 0.297 1.00 0.00 C ATOM 0 H THR A 5 -10.695 0.289 0.596 1.00 0.00 H new ATOM 0 HA THR A 5 -9.396 2.931 0.150 1.00 0.00 H new ATOM 0 HB THR A 5 -12.327 2.427 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.546 2.982 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.554 4.781 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.470 4.638 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.791 4.878 -0.273 1.00 0.00 H new ATOM 91 N ARG A 6 -9.285 3.354 2.558 1.00 0.00 N ATOM 92 CA ARG A 6 -8.910 3.507 3.957 1.00 0.00 C ATOM 93 C ARG A 6 -8.939 4.980 4.333 1.00 0.00 C ATOM 94 O ARG A 6 -9.257 5.827 3.505 1.00 0.00 O ATOM 95 CB ARG A 6 -7.480 2.976 4.144 1.00 0.00 C ATOM 96 CG ARG A 6 -7.311 1.487 3.828 1.00 0.00 C ATOM 97 CD ARG A 6 -7.688 0.582 5.002 1.00 0.00 C ATOM 98 NE ARG A 6 -9.126 0.577 5.286 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.693 -0.205 6.204 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.969 -1.079 6.896 1.00 0.00 N ATOM 101 NH2 ARG A 6 -11.000 -0.115 6.441 1.00 0.00 N ATOM 0 H ARG A 6 -8.905 4.088 1.960 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.607 2.955 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.807 3.549 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.171 3.153 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.928 1.231 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.275 1.296 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.363 -0.436 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.149 0.908 5.892 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.725 1.206 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.966 -1.157 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.416 -1.671 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.568 0.553 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.433 -0.714 7.144 1.00 0.00 H new ATOM 115 N LYS A 7 -8.601 5.280 5.584 1.00 0.00 N ATOM 116 CA LYS A 7 -8.388 6.638 6.063 1.00 0.00 C ATOM 117 C LYS A 7 -7.168 6.608 6.972 1.00 0.00 C ATOM 118 O LYS A 7 -6.824 5.553 7.508 1.00 0.00 O ATOM 119 CB LYS A 7 -9.651 7.140 6.772 1.00 0.00 C ATOM 120 CG LYS A 7 -9.462 8.492 7.468 1.00 0.00 C ATOM 121 CD LYS A 7 -10.759 8.937 8.139 1.00 0.00 C ATOM 122 CE LYS A 7 -10.474 10.177 8.988 1.00 0.00 C ATOM 123 NZ LYS A 7 -11.710 10.704 9.596 1.00 0.00 N ATOM 0 H LYS A 7 -8.466 4.571 6.305 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.200 7.336 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.458 7.224 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.963 6.401 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.669 8.416 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.147 9.240 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.516 9.160 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.156 8.136 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.758 9.928 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.014 10.947 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.486 11.545 10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.382 10.963 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.135 9.976 10.205 1.00 0.00 H new ATOM 137 N VAL A 8 -6.505 7.753 7.140 1.00 0.00 N ATOM 138 CA VAL A 8 -5.262 7.764 7.902 1.00 0.00 C ATOM 139 C VAL A 8 -5.422 7.083 9.258 1.00 0.00 C ATOM 140 O VAL A 8 -6.274 7.460 10.060 1.00 0.00 O ATOM 141 CB VAL A 8 -4.669 9.165 8.014 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.575 9.725 6.599 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.451 10.142 8.883 1.00 0.00 C ATOM 0 H VAL A 8 -6.798 8.657 6.770 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.538 7.172 7.342 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.704 9.061 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.154 10.730 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.933 9.083 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.570 9.763 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.943 11.106 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.455 10.266 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.515 9.754 9.900 1.00 0.00 H new ATOM 153 N GLY A 9 -4.582 6.071 9.489 1.00 0.00 N ATOM 154 CA GLY A 9 -4.603 5.290 10.720 1.00 0.00 C ATOM 155 C GLY A 9 -5.144 3.868 10.532 1.00 0.00 C ATOM 156 O GLY A 9 -5.289 3.146 11.514 1.00 0.00 O ATOM 0 H GLY A 9 -3.868 5.773 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.592 5.235 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.214 5.808 11.459 1.00 0.00 H new ATOM 160 N GLU A 10 -5.442 3.461 9.296 1.00 0.00 N ATOM 161 CA GLU A 10 -5.979 2.133 9.003 1.00 0.00 C ATOM 162 C GLU A 10 -4.983 1.297 8.198 1.00 0.00 C ATOM 163 O GLU A 10 -3.915 1.791 7.831 1.00 0.00 O ATOM 164 CB GLU A 10 -7.309 2.261 8.261 1.00 0.00 C ATOM 165 CG GLU A 10 -8.361 2.972 9.118 1.00 0.00 C ATOM 166 CD GLU A 10 -9.711 2.992 8.407 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.716 3.186 7.170 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.734 2.816 9.108 1.00 0.00 O ATOM 0 H GLU A 10 -5.317 4.045 8.469 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.151 1.615 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.158 2.814 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.671 1.270 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.458 2.466 10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.039 3.992 9.326 1.00 0.00 H new ATOM 175 N SER A 11 -5.322 0.033 7.918 1.00 0.00 N ATOM 176 CA SER A 11 -4.380 -0.905 7.315 1.00 0.00 C ATOM 177 C SER A 11 -5.035 -1.814 6.276 1.00 0.00 C ATOM 178 O SER A 11 -6.258 -1.853 6.141 1.00 0.00 O ATOM 179 CB SER A 11 -3.749 -1.760 8.417 1.00 0.00 C ATOM 180 OG SER A 11 -3.057 -0.947 9.344 1.00 0.00 O ATOM 0 H SER A 11 -6.245 -0.360 8.102 1.00 0.00 H new ATOM 0 HA SER A 11 -3.621 -0.319 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.523 -2.329 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.063 -2.483 7.976 1.00 0.00 H new ATOM 0 HG SER A 11 -2.119 -0.865 9.071 1.00 0.00 H new ATOM 186 N ILE A 12 -4.188 -2.548 5.545 1.00 0.00 N ATOM 187 CA ILE A 12 -4.544 -3.454 4.458 1.00 0.00 C ATOM 188 C ILE A 12 -3.632 -4.677 4.568 1.00 0.00 C ATOM 189 O ILE A 12 -2.590 -4.604 5.217 1.00 0.00 O ATOM 190 CB ILE A 12 -4.334 -2.733 3.111 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.259 -1.514 2.975 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.525 -3.665 1.909 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.733 -1.886 2.833 1.00 0.00 C ATOM 0 H ILE A 12 -3.182 -2.521 5.709 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.588 -3.763 4.518 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.298 -2.394 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.136 -0.874 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.954 -0.930 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.366 -3.107 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.808 -4.484 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.538 -4.068 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.330 -0.979 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.869 -2.501 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.054 -2.444 3.713 1.00 0.00 H new ATOM 205 N ASN A 13 -3.994 -5.805 3.950 1.00 0.00 N ATOM 206 CA ASN A 13 -3.221 -7.034 4.087 1.00 0.00 C ATOM 207 C ASN A 13 -2.937 -7.688 2.734 1.00 0.00 C ATOM 208 O ASN A 13 -3.704 -7.546 1.782 1.00 0.00 O ATOM 209 CB ASN A 13 -3.997 -8.000 4.984 1.00 0.00 C ATOM 210 CG ASN A 13 -4.232 -7.422 6.369 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.299 -6.886 6.654 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.236 -7.527 7.247 1.00 0.00 N ATOM 0 H ASN A 13 -4.816 -5.888 3.352 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.256 -6.789 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.956 -8.235 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.447 -8.937 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.347 -7.156 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.363 -7.979 6.976 1.00 0.00 H new ATOM 219 N ILE A 14 -1.816 -8.415 2.670 1.00 0.00 N ATOM 220 CA ILE A 14 -1.382 -9.144 1.485 1.00 0.00 C ATOM 221 C ILE A 14 -0.780 -10.476 1.920 1.00 0.00 C ATOM 222 O ILE A 14 0.008 -10.528 2.864 1.00 0.00 O ATOM 223 CB ILE A 14 -0.333 -8.325 0.714 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.917 -6.972 0.285 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.166 -9.120 -0.504 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.109 -6.114 -0.454 1.00 0.00 C ATOM 0 H ILE A 14 -1.176 -8.512 3.459 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.236 -9.319 0.830 1.00 0.00 H new ATOM 0 HB ILE A 14 0.516 -8.132 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.781 -7.138 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.272 -6.435 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.908 -8.532 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.617 -10.054 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.673 -9.339 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.347 -5.166 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.962 -5.925 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.445 -6.638 -1.349 1.00 0.00 H new ATOM 238 N GLY A 15 -1.150 -11.556 1.228 1.00 0.00 N ATOM 239 CA GLY A 15 -0.678 -12.892 1.553 1.00 0.00 C ATOM 240 C GLY A 15 -0.918 -13.196 3.029 1.00 0.00 C ATOM 241 O GLY A 15 -1.924 -12.783 3.603 1.00 0.00 O ATOM 0 H GLY A 15 -1.784 -11.523 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.194 -13.627 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.385 -12.974 1.326 1.00 0.00 H new ATOM 245 N ASP A 16 0.015 -13.924 3.644 1.00 0.00 N ATOM 246 CA ASP A 16 -0.034 -14.254 5.061 1.00 0.00 C ATOM 247 C ASP A 16 1.255 -13.807 5.759 1.00 0.00 C ATOM 248 O ASP A 16 1.544 -14.235 6.875 1.00 0.00 O ATOM 249 CB ASP A 16 -0.328 -15.745 5.255 1.00 0.00 C ATOM 250 CG ASP A 16 0.788 -16.638 4.714 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.974 -16.649 3.478 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.448 -17.305 5.543 1.00 0.00 O ATOM 0 H ASP A 16 0.832 -14.303 3.164 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.853 -13.709 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.469 -15.949 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.264 -15.995 4.755 1.00 0.00 H new ATOM 257 N ASP A 17 2.033 -12.942 5.096 1.00 0.00 N ATOM 258 CA ASP A 17 3.306 -12.453 5.606 1.00 0.00 C ATOM 259 C ASP A 17 3.471 -10.945 5.414 1.00 0.00 C ATOM 260 O ASP A 17 4.513 -10.406 5.782 1.00 0.00 O ATOM 261 CB ASP A 17 4.457 -13.179 4.908 1.00 0.00 C ATOM 262 CG ASP A 17 4.478 -14.677 5.205 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.707 -15.032 6.381 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.259 -15.450 4.245 1.00 0.00 O ATOM 0 H ASP A 17 1.788 -12.562 4.182 1.00 0.00 H new ATOM 0 HA ASP A 17 3.322 -12.655 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.377 -13.028 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.403 -12.738 5.222 1.00 0.00 H new ATOM 269 N ILE A 18 2.484 -10.238 4.848 1.00 0.00 N ATOM 270 CA ILE A 18 2.635 -8.809 4.606 1.00 0.00 C ATOM 271 C ILE A 18 1.398 -8.036 5.043 1.00 0.00 C ATOM 272 O ILE A 18 0.269 -8.520 4.945 1.00 0.00 O ATOM 273 CB ILE A 18 2.940 -8.534 3.123 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.164 -9.310 2.618 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.197 -7.038 2.903 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.730 -10.619 1.957 1.00 0.00 C ATOM 0 H ILE A 18 1.589 -10.630 4.555 1.00 0.00 H new ATOM 0 HA ILE A 18 3.477 -8.464 5.205 1.00 0.00 H new ATOM 0 HB ILE A 18 2.066 -8.866 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.719 -8.701 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.837 -9.521 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.412 -6.857 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.314 -6.470 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.048 -6.722 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.610 -11.158 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.195 -11.233 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.075 -10.401 1.113 1.00 0.00 H new ATOM 288 N THR A 19 1.626 -6.815 5.528 1.00 0.00 N ATOM 289 CA THR A 19 0.586 -5.876 5.920 1.00 0.00 C ATOM 290 C THR A 19 1.023 -4.475 5.502 1.00 0.00 C ATOM 291 O THR A 19 2.215 -4.211 5.356 1.00 0.00 O ATOM 292 CB THR A 19 0.366 -5.979 7.435 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.075 -7.279 7.760 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.680 -4.988 7.941 1.00 0.00 C ATOM 0 H THR A 19 2.568 -6.446 5.661 1.00 0.00 H new ATOM 0 HA THR A 19 -0.361 -6.103 5.430 1.00 0.00 H new ATOM 0 HB THR A 19 1.320 -5.750 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.214 -7.345 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.798 -5.102 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.357 -3.972 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.633 -5.182 7.449 1.00 0.00 H new ATOM 302 N ILE A 20 0.056 -3.579 5.305 1.00 0.00 N ATOM 303 CA ILE A 20 0.285 -2.208 4.858 1.00 0.00 C ATOM 304 C ILE A 20 -0.524 -1.278 5.749 1.00 0.00 C ATOM 305 O ILE A 20 -1.584 -1.672 6.228 1.00 0.00 O ATOM 306 CB ILE A 20 -0.154 -2.077 3.391 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.569 -3.067 2.471 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.056 -0.648 2.884 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.062 -2.775 2.317 1.00 0.00 C ATOM 0 H ILE A 20 -0.930 -3.793 5.456 1.00 0.00 H new ATOM 0 HA ILE A 20 1.341 -1.945 4.926 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.217 -2.317 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.442 -4.076 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.099 -3.047 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.262 -0.581 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.532 0.043 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.112 -0.387 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.511 -3.514 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.196 -1.779 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.545 -2.824 3.293 1.00 0.00 H new ATOM 321 N THR A 21 -0.045 -0.050 5.971 1.00 0.00 N ATOM 322 CA THR A 21 -0.718 0.893 6.857 1.00 0.00 C ATOM 323 C THR A 21 -0.568 2.319 6.339 1.00 0.00 C ATOM 324 O THR A 21 0.536 2.749 6.011 1.00 0.00 O ATOM 325 CB THR A 21 -0.114 0.789 8.265 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.173 -0.543 8.727 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.869 1.679 9.248 1.00 0.00 C ATOM 0 H THR A 21 0.809 0.311 5.546 1.00 0.00 H new ATOM 0 HA THR A 21 -1.779 0.647 6.891 1.00 0.00 H new ATOM 0 HB THR A 21 0.924 1.116 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.216 -0.595 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.422 1.588 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.811 2.716 8.918 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.913 1.369 9.291 1.00 0.00 H new ATOM 335 N ILE A 22 -1.682 3.051 6.267 1.00 0.00 N ATOM 336 CA ILE A 22 -1.692 4.446 5.853 1.00 0.00 C ATOM 337 C ILE A 22 -1.455 5.319 7.083 1.00 0.00 C ATOM 338 O ILE A 22 -2.390 5.664 7.802 1.00 0.00 O ATOM 339 CB ILE A 22 -3.005 4.757 5.106 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.230 6.257 4.891 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.241 4.197 5.813 1.00 0.00 C ATOM 342 CD1 ILE A 22 -2.051 6.915 4.190 1.00 0.00 C ATOM 0 H ILE A 22 -2.606 2.685 6.497 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.889 4.662 5.148 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.881 4.265 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.133 6.407 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.395 6.741 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.133 4.448 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.154 3.113 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.317 4.630 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.253 7.978 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.152 6.789 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.902 6.450 3.215 1.00 0.00 H new ATOM 354 N LEU A 23 -0.191 5.684 7.336 1.00 0.00 N ATOM 355 CA LEU A 23 0.163 6.412 8.549 1.00 0.00 C ATOM 356 C LEU A 23 -0.375 7.844 8.514 1.00 0.00 C ATOM 357 O LEU A 23 -0.607 8.436 9.567 1.00 0.00 O ATOM 358 CB LEU A 23 1.687 6.443 8.762 1.00 0.00 C ATOM 359 CG LEU A 23 2.463 5.266 8.163 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.953 5.540 8.336 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.118 3.944 8.841 1.00 0.00 C ATOM 0 H LEU A 23 0.595 5.486 6.717 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.297 5.881 9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.077 7.367 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.886 6.478 9.833 1.00 0.00 H new ATOM 0 HG LEU A 23 2.192 5.176 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.526 4.713 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.216 6.463 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.184 5.640 9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.693 3.139 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.361 4.005 9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.053 3.742 8.724 1.00 0.00 H new ATOM 373 N GLY A 24 -0.578 8.405 7.318 1.00 0.00 N ATOM 374 CA GLY A 24 -1.124 9.749 7.174 1.00 0.00 C ATOM 375 C GLY A 24 -0.828 10.361 5.806 1.00 0.00 C ATOM 376 O GLY A 24 -0.322 9.685 4.914 1.00 0.00 O ATOM 0 H GLY A 24 -0.369 7.942 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.203 9.717 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.710 10.390 7.952 1.00 0.00 H new ATOM 380 N VAL A 25 -1.146 11.652 5.644 1.00 0.00 N ATOM 381 CA VAL A 25 -0.875 12.379 4.408 1.00 0.00 C ATOM 382 C VAL A 25 -0.150 13.695 4.698 1.00 0.00 C ATOM 383 O VAL A 25 -0.019 14.096 5.853 1.00 0.00 O ATOM 384 CB VAL A 25 -2.164 12.624 3.601 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.066 11.386 3.586 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.957 13.815 4.141 1.00 0.00 C ATOM 0 H VAL A 25 -1.596 12.215 6.366 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.221 11.758 3.797 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.846 12.845 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.965 11.598 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.531 10.551 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.345 11.127 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.858 13.953 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.234 13.627 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.344 14.715 4.087 1.00 0.00 H new ATOM 396 N SER A 26 0.326 14.364 3.641 1.00 0.00 N ATOM 397 CA SER A 26 1.091 15.603 3.741 1.00 0.00 C ATOM 398 C SER A 26 0.728 16.552 2.599 1.00 0.00 C ATOM 399 O SER A 26 1.604 17.075 1.910 1.00 0.00 O ATOM 400 CB SER A 26 2.588 15.301 3.739 1.00 0.00 C ATOM 401 OG SER A 26 2.958 14.622 4.921 1.00 0.00 O ATOM 0 H SER A 26 0.186 14.051 2.680 1.00 0.00 H new ATOM 0 HA SER A 26 0.839 16.093 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.841 14.694 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.152 16.230 3.655 1.00 0.00 H new ATOM 0 HG SER A 26 3.499 15.215 5.483 1.00 0.00 H new ATOM 407 N GLY A 27 -0.573 16.766 2.398 1.00 0.00 N ATOM 408 CA GLY A 27 -1.098 17.585 1.319 1.00 0.00 C ATOM 409 C GLY A 27 -1.697 16.665 0.264 1.00 0.00 C ATOM 410 O GLY A 27 -2.793 16.138 0.460 1.00 0.00 O ATOM 0 H GLY A 27 -1.298 16.366 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.856 18.271 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.305 18.194 0.885 1.00 0.00 H new ATOM 414 N GLN A 28 -0.989 16.468 -0.849 1.00 0.00 N ATOM 415 CA GLN A 28 -1.378 15.486 -1.853 1.00 0.00 C ATOM 416 C GLN A 28 -0.340 14.368 -1.891 1.00 0.00 C ATOM 417 O GLN A 28 -0.445 13.424 -2.678 1.00 0.00 O ATOM 418 CB GLN A 28 -1.597 16.149 -3.214 1.00 0.00 C ATOM 419 CG GLN A 28 -2.927 15.678 -3.812 1.00 0.00 C ATOM 420 CD GLN A 28 -4.105 16.233 -3.013 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.519 17.367 -3.229 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.649 15.443 -2.088 1.00 0.00 N ATOM 0 H GLN A 28 -0.137 16.982 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.335 15.040 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.601 17.233 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.776 15.900 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.000 16.003 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.964 14.589 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.278 14.505 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.437 15.776 -1.532 1.00 0.00 H new ATOM 431 N GLN A 29 0.670 14.487 -1.022 1.00 0.00 N ATOM 432 CA GLN A 29 1.565 13.390 -0.733 1.00 0.00 C ATOM 433 C GLN A 29 0.879 12.502 0.298 1.00 0.00 C ATOM 434 O GLN A 29 -0.053 12.931 0.978 1.00 0.00 O ATOM 435 CB GLN A 29 2.906 13.875 -0.179 1.00 0.00 C ATOM 436 CG GLN A 29 3.802 14.425 -1.289 1.00 0.00 C ATOM 437 CD GLN A 29 5.273 14.188 -0.965 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.785 13.091 -1.159 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.961 15.211 -0.471 1.00 0.00 N ATOM 0 H GLN A 29 0.879 15.344 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 29 1.777 12.848 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.734 14.649 0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.412 13.052 0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.552 13.946 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.620 15.492 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.502 16.110 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.948 15.098 -0.240 1.00 0.00 H new ATOM 448 N VAL A 30 1.343 11.262 0.417 1.00 0.00 N ATOM 449 CA VAL A 30 0.783 10.277 1.323 1.00 0.00 C ATOM 450 C VAL A 30 1.944 9.507 1.942 1.00 0.00 C ATOM 451 O VAL A 30 2.979 9.335 1.303 1.00 0.00 O ATOM 452 CB VAL A 30 -0.155 9.347 0.542 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.786 8.311 1.466 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.298 10.132 -0.097 1.00 0.00 C ATOM 0 H VAL A 30 2.133 10.912 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 30 0.199 10.747 2.114 1.00 0.00 H new ATOM 0 HB VAL A 30 0.451 8.862 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.447 7.664 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.002 7.711 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.361 8.817 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.947 9.449 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.873 10.635 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.891 10.874 -0.784 1.00 0.00 H new ATOM 464 N ARG A 31 1.780 9.042 3.181 1.00 0.00 N ATOM 465 CA ARG A 31 2.830 8.330 3.891 1.00 0.00 C ATOM 466 C ARG A 31 2.283 7.007 4.390 1.00 0.00 C ATOM 467 O ARG A 31 1.291 6.962 5.117 1.00 0.00 O ATOM 468 CB ARG A 31 3.365 9.214 5.013 1.00 0.00 C ATOM 469 CG ARG A 31 4.683 8.660 5.555 1.00 0.00 C ATOM 470 CD ARG A 31 5.372 9.709 6.424 1.00 0.00 C ATOM 471 NE ARG A 31 5.739 10.889 5.629 1.00 0.00 N ATOM 472 CZ ARG A 31 5.106 12.068 5.666 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.063 12.257 6.471 1.00 0.00 N ATOM 474 NH2 ARG A 31 5.515 13.070 4.898 1.00 0.00 N ATOM 0 H ARG A 31 0.917 9.150 3.714 1.00 0.00 H new ATOM 0 HA ARG A 31 3.668 8.105 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.516 10.228 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.632 9.273 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.496 7.759 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.335 8.375 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.710 10.005 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.265 9.280 6.880 1.00 0.00 H new ATOM 0 HE ARG A 31 6.538 10.803 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.737 11.498 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.590 13.160 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.314 12.943 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.030 13.967 4.929 1.00 0.00 H new ATOM 488 N ILE A 32 2.954 5.931 3.990 1.00 0.00 N ATOM 489 CA ILE A 32 2.464 4.579 4.155 1.00 0.00 C ATOM 490 C ILE A 32 3.603 3.688 4.630 1.00 0.00 C ATOM 491 O ILE A 32 4.752 3.874 4.230 1.00 0.00 O ATOM 492 CB ILE A 32 1.922 4.110 2.799 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.654 4.893 2.432 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.605 2.612 2.792 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.441 4.916 0.921 1.00 0.00 C ATOM 0 H ILE A 32 3.866 5.982 3.536 1.00 0.00 H new ATOM 0 HA ILE A 32 1.669 4.533 4.899 1.00 0.00 H new ATOM 0 HB ILE A 32 2.704 4.297 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.210 4.440 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.732 5.913 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.224 2.325 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.512 2.047 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.853 2.396 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.464 5.477 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.296 5.392 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.339 3.895 0.552 1.00 0.00 H new ATOM 507 N GLY A 33 3.268 2.727 5.486 1.00 0.00 N ATOM 508 CA GLY A 33 4.230 1.798 6.041 1.00 0.00 C ATOM 509 C GLY A 33 3.956 0.397 5.522 1.00 0.00 C ATOM 510 O GLY A 33 2.873 0.106 5.016 1.00 0.00 O ATOM 0 H GLY A 33 2.314 2.575 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.241 2.104 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.173 1.809 7.129 1.00 0.00 H new ATOM 514 N ILE A 34 4.957 -0.467 5.657 1.00 0.00 N ATOM 515 CA ILE A 34 4.923 -1.831 5.169 1.00 0.00 C ATOM 516 C ILE A 34 5.458 -2.706 6.290 1.00 0.00 C ATOM 517 O ILE A 34 6.327 -2.287 7.054 1.00 0.00 O ATOM 518 CB ILE A 34 5.768 -1.946 3.891 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.275 -0.934 2.848 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.691 -3.362 3.314 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.186 -0.872 1.622 1.00 0.00 C ATOM 0 H ILE A 34 5.833 -0.227 6.121 1.00 0.00 H new ATOM 0 HA ILE A 34 3.914 -2.148 4.904 1.00 0.00 H new ATOM 0 HB ILE A 34 6.806 -1.731 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.266 -1.201 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.216 0.054 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.297 -3.420 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.066 -4.075 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.655 -3.601 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.794 -0.142 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.190 -0.577 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.225 -1.853 1.148 1.00 0.00 H new ATOM 533 N ASN A 35 4.940 -3.923 6.390 1.00 0.00 N ATOM 534 CA ASN A 35 5.265 -4.817 7.482 1.00 0.00 C ATOM 535 C ASN A 35 5.417 -6.220 6.918 1.00 0.00 C ATOM 536 O ASN A 35 4.440 -6.957 6.785 1.00 0.00 O ATOM 537 CB ASN A 35 4.165 -4.734 8.540 1.00 0.00 C ATOM 538 CG ASN A 35 4.469 -5.586 9.762 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.566 -6.120 9.912 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.489 -5.718 10.650 1.00 0.00 N ATOM 0 H ASN A 35 4.283 -4.314 5.714 1.00 0.00 H new ATOM 0 HA ASN A 35 6.202 -4.538 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.038 -3.696 8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.220 -5.055 8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.634 -6.278 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.592 -5.260 10.491 1.00 0.00 H new ATOM 547 N ALA A 36 6.654 -6.575 6.587 1.00 0.00 N ATOM 548 CA ALA A 36 6.968 -7.856 5.974 1.00 0.00 C ATOM 549 C ALA A 36 8.278 -8.418 6.515 1.00 0.00 C ATOM 550 O ALA A 36 9.116 -7.670 7.017 1.00 0.00 O ATOM 551 CB ALA A 36 7.091 -7.648 4.467 1.00 0.00 C ATOM 0 H ALA A 36 7.468 -5.979 6.738 1.00 0.00 H new ATOM 0 HA ALA A 36 6.175 -8.567 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.327 -8.598 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.148 -7.267 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.886 -6.931 4.262 1.00 0.00 H new ATOM 557 N PRO A 37 8.463 -9.740 6.408 1.00 0.00 N ATOM 558 CA PRO A 37 9.708 -10.414 6.727 1.00 0.00 C ATOM 559 C PRO A 37 10.792 -10.099 5.706 1.00 0.00 C ATOM 560 O PRO A 37 10.504 -9.701 4.580 1.00 0.00 O ATOM 561 CB PRO A 37 9.375 -11.906 6.661 1.00 0.00 C ATOM 562 CG PRO A 37 8.188 -11.988 5.708 1.00 0.00 C ATOM 563 CD PRO A 37 7.452 -10.685 5.974 1.00 0.00 C ATOM 0 HA PRO A 37 10.086 -10.098 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.221 -12.486 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.122 -12.301 7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.508 -12.067 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.562 -12.856 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.947 -10.331 5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.687 -10.817 6.739 1.00 0.00 H new ATOM 571 N LYS A 38 12.048 -10.281 6.110 1.00 0.00 N ATOM 572 CA LYS A 38 13.181 -10.153 5.206 1.00 0.00 C ATOM 573 C LYS A 38 13.180 -11.282 4.178 1.00 0.00 C ATOM 574 O LYS A 38 14.017 -11.298 3.276 1.00 0.00 O ATOM 575 CB LYS A 38 14.485 -10.145 6.007 1.00 0.00 C ATOM 576 CG LYS A 38 14.570 -8.946 6.955 1.00 0.00 C ATOM 577 CD LYS A 38 14.414 -7.631 6.191 1.00 0.00 C ATOM 578 CE LYS A 38 14.766 -6.453 7.089 1.00 0.00 C ATOM 579 NZ LYS A 38 16.191 -6.461 7.470 1.00 0.00 N ATOM 0 H LYS A 38 12.304 -10.520 7.068 1.00 0.00 H new ATOM 0 HA LYS A 38 13.098 -9.210 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.563 -11.068 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.332 -10.125 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.793 -9.023 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.528 -8.957 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.060 -7.634 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.390 -7.530 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.533 -5.521 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.149 -6.484 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.482 -5.502 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.333 -7.110 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.765 -6.777 6.662 1.00 0.00 H new ATOM 593 N ASP A 39 12.239 -12.224 4.318 1.00 0.00 N ATOM 594 CA ASP A 39 11.990 -13.274 3.344 1.00 0.00 C ATOM 595 C ASP A 39 11.444 -12.681 2.042 1.00 0.00 C ATOM 596 O ASP A 39 11.344 -13.381 1.038 1.00 0.00 O ATOM 597 CB ASP A 39 10.977 -14.256 3.935 1.00 0.00 C ATOM 598 CG ASP A 39 11.615 -15.117 5.022 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.233 -16.142 4.656 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.480 -14.745 6.209 1.00 0.00 O ATOM 0 H ASP A 39 11.622 -12.272 5.129 1.00 0.00 H new ATOM 0 HA ASP A 39 12.923 -13.789 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.133 -13.706 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.582 -14.895 3.145 1.00 0.00 H new ATOM 605 N VAL A 40 11.094 -11.391 2.064 1.00 0.00 N ATOM 606 CA VAL A 40 10.583 -10.677 0.907 1.00 0.00 C ATOM 607 C VAL A 40 11.185 -9.276 0.868 1.00 0.00 C ATOM 608 O VAL A 40 11.683 -8.774 1.879 1.00 0.00 O ATOM 609 CB VAL A 40 9.045 -10.622 0.938 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.453 -12.014 1.156 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.533 -9.726 2.061 1.00 0.00 C ATOM 0 H VAL A 40 11.162 -10.812 2.901 1.00 0.00 H new ATOM 0 HA VAL A 40 10.873 -11.207 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 40 8.735 -10.219 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.365 -11.948 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.763 -12.672 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.808 -12.416 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.443 -9.714 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.881 -10.110 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.909 -8.713 1.918 1.00 0.00 H new ATOM 621 N ALA A 41 11.144 -8.638 -0.303 1.00 0.00 N ATOM 622 CA ALA A 41 11.768 -7.340 -0.490 1.00 0.00 C ATOM 623 C ALA A 41 10.711 -6.279 -0.776 1.00 0.00 C ATOM 624 O ALA A 41 9.668 -6.588 -1.350 1.00 0.00 O ATOM 625 CB ALA A 41 12.755 -7.445 -1.651 1.00 0.00 C ATOM 0 H ALA A 41 10.682 -9.006 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 41 12.296 -7.045 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.235 -6.479 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.512 -8.193 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.222 -7.737 -2.556 1.00 0.00 H new ATOM 631 N VAL A 42 10.986 -5.033 -0.382 1.00 0.00 N ATOM 632 CA VAL A 42 10.078 -3.919 -0.616 1.00 0.00 C ATOM 633 C VAL A 42 10.884 -2.651 -0.885 1.00 0.00 C ATOM 634 O VAL A 42 11.763 -2.298 -0.099 1.00 0.00 O ATOM 635 CB VAL A 42 9.137 -3.729 0.585 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.265 -4.969 0.793 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.880 -3.479 1.895 1.00 0.00 C ATOM 0 H VAL A 42 11.843 -4.774 0.106 1.00 0.00 H new ATOM 0 HA VAL A 42 9.462 -4.135 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 42 8.535 -2.853 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.607 -4.812 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.664 -5.145 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.901 -5.834 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.160 -3.353 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.527 -4.328 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.485 -2.577 1.804 1.00 0.00 H new ATOM 647 N HIS A 43 10.596 -1.957 -1.987 1.00 0.00 N ATOM 648 CA HIS A 43 11.292 -0.714 -2.307 1.00 0.00 C ATOM 649 C HIS A 43 10.461 0.183 -3.216 1.00 0.00 C ATOM 650 O HIS A 43 9.488 -0.260 -3.825 1.00 0.00 O ATOM 651 CB HIS A 43 12.620 -0.983 -3.029 1.00 0.00 C ATOM 652 CG HIS A 43 13.414 -2.172 -2.558 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.466 -2.128 -1.640 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.222 -3.459 -2.966 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.887 -3.397 -1.523 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.164 -4.214 -2.309 1.00 0.00 N ATOM 0 H HIS A 43 9.889 -2.234 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 43 11.469 -0.220 -1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.410 -1.112 -4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.246 -0.096 -2.933 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.835 -1.307 -1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.479 -3.814 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.696 -3.718 -0.884 1.00 0.00 H new ATOM 664 N ARG A 44 10.859 1.456 -3.307 1.00 0.00 N ATOM 665 CA ARG A 44 10.305 2.378 -4.287 1.00 0.00 C ATOM 666 C ARG A 44 10.763 1.917 -5.667 1.00 0.00 C ATOM 667 O ARG A 44 11.794 1.255 -5.777 1.00 0.00 O ATOM 668 CB ARG A 44 10.802 3.793 -3.962 1.00 0.00 C ATOM 669 CG ARG A 44 10.045 4.873 -4.744 1.00 0.00 C ATOM 670 CD ARG A 44 10.568 6.259 -4.361 1.00 0.00 C ATOM 671 NE ARG A 44 9.756 7.323 -4.964 1.00 0.00 N ATOM 672 CZ ARG A 44 10.088 8.617 -4.978 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.234 9.039 -4.451 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.264 9.502 -5.525 1.00 0.00 N ATOM 0 H ARG A 44 11.571 1.869 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 44 9.215 2.393 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.691 3.977 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.866 3.862 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.168 4.712 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.978 4.806 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.562 6.365 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.604 6.361 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 44 8.875 7.055 -5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.877 8.370 -4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.470 10.031 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.381 9.193 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.513 10.491 -5.538 1.00 0.00 H new ATOM 688 N GLU A 45 10.022 2.256 -6.724 1.00 0.00 N ATOM 689 CA GLU A 45 10.377 1.834 -8.075 1.00 0.00 C ATOM 690 C GLU A 45 11.807 2.240 -8.420 1.00 0.00 C ATOM 691 O GLU A 45 12.486 1.550 -9.175 1.00 0.00 O ATOM 692 CB GLU A 45 9.432 2.478 -9.085 1.00 0.00 C ATOM 693 CG GLU A 45 7.980 2.155 -8.749 1.00 0.00 C ATOM 694 CD GLU A 45 7.050 2.630 -9.862 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.786 3.851 -9.913 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.607 1.771 -10.655 1.00 0.00 O ATOM 0 H GLU A 45 9.174 2.821 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 45 10.294 0.748 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.578 3.558 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.666 2.121 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.865 1.081 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.704 2.633 -7.809 1.00 0.00 H new ATOM 703 N GLU A 46 12.264 3.364 -7.866 1.00 0.00 N ATOM 704 CA GLU A 46 13.592 3.888 -8.155 1.00 0.00 C ATOM 705 C GLU A 46 14.700 3.018 -7.559 1.00 0.00 C ATOM 706 O GLU A 46 15.799 2.988 -8.108 1.00 0.00 O ATOM 707 CB GLU A 46 13.710 5.318 -7.616 1.00 0.00 C ATOM 708 CG GLU A 46 12.688 6.252 -8.268 1.00 0.00 C ATOM 709 CD GLU A 46 12.902 6.352 -9.776 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.835 7.081 -10.181 1.00 0.00 O ATOM 711 OE2 GLU A 46 12.132 5.703 -10.517 1.00 0.00 O ATOM 0 H GLU A 46 11.726 3.930 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 46 13.719 3.883 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.563 5.314 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.716 5.694 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.681 5.888 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.764 7.244 -7.822 1.00 0.00 H new ATOM 718 N ILE A 47 14.434 2.313 -6.453 1.00 0.00 N ATOM 719 CA ILE A 47 15.404 1.411 -5.853 1.00 0.00 C ATOM 720 C ILE A 47 15.199 0.031 -6.460 1.00 0.00 C ATOM 721 O ILE A 47 16.153 -0.716 -6.665 1.00 0.00 O ATOM 722 CB ILE A 47 15.193 1.350 -4.333 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.759 2.571 -3.595 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.891 0.123 -3.738 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.156 3.887 -4.077 1.00 0.00 C ATOM 0 H ILE A 47 13.544 2.356 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 47 16.417 1.763 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 47 14.112 1.311 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.573 2.462 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.840 2.602 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.729 0.099 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.481 -0.782 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.960 0.178 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.595 4.714 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.364 4.015 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.078 3.873 -3.918 1.00 0.00 H new ATOM 737 N TYR A 48 13.941 -0.305 -6.748 1.00 0.00 N ATOM 738 CA TYR A 48 13.554 -1.606 -7.250 1.00 0.00 C ATOM 739 C TYR A 48 14.265 -1.963 -8.554 1.00 0.00 C ATOM 740 O TYR A 48 14.535 -3.135 -8.813 1.00 0.00 O ATOM 741 CB TYR A 48 12.052 -1.606 -7.484 1.00 0.00 C ATOM 742 CG TYR A 48 11.570 -2.925 -8.022 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.345 -3.997 -7.145 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.362 -3.071 -9.396 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.919 -5.234 -7.650 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.948 -4.303 -9.909 1.00 0.00 C ATOM 747 CZ TYR A 48 10.715 -5.391 -9.037 1.00 0.00 C ATOM 748 OH TYR A 48 10.294 -6.589 -9.536 1.00 0.00 O ATOM 0 H TYR A 48 13.156 0.336 -6.634 1.00 0.00 H new ATOM 0 HA TYR A 48 13.840 -2.352 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.538 -1.386 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.793 -0.812 -8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.500 -3.870 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.521 -2.234 -10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.748 -6.063 -6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.806 -4.424 -10.973 1.00 0.00 H new ATOM 0 HH TYR A 48 10.203 -6.524 -10.510 1.00 0.00 H new ATOM 1605 N MET C 1 8.598 -2.113 10.639 1.00 0.00 N ATOM 1606 CA MET C 1 7.915 -1.303 9.618 1.00 0.00 C ATOM 1607 C MET C 1 8.930 -0.688 8.661 1.00 0.00 C ATOM 1608 O MET C 1 9.967 -0.194 9.095 1.00 0.00 O ATOM 1609 CB MET C 1 7.094 -0.189 10.275 1.00 0.00 C ATOM 1610 CG MET C 1 6.156 0.509 9.298 1.00 0.00 C ATOM 1611 SD MET C 1 4.587 -0.348 9.041 1.00 0.00 S ATOM 1612 CE MET C 1 3.823 0.134 10.609 1.00 0.00 C ATOM 0 H1 MET C 1 8.219 -1.879 11.579 1.00 0.00 H new ATOM 0 H2 MET C 1 8.440 -3.122 10.444 1.00 0.00 H new ATOM 0 H3 MET C 1 9.618 -1.911 10.617 1.00 0.00 H new ATOM 0 HA MET C 1 7.245 -1.957 9.060 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.511 -0.609 11.094 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.771 0.546 10.710 1.00 0.00 H new ATOM 0 HG2 MET C 1 5.952 1.516 9.663 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.662 0.614 8.338 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.516 -0.759 11.154 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.542 0.694 11.207 1.00 0.00 H new ATOM 0 HE3 MET C 1 2.951 0.757 10.412 1.00 0.00 H new ATOM 1624 N LEU C 2 8.627 -0.718 7.361 1.00 0.00 N ATOM 1625 CA LEU C 2 9.421 -0.064 6.335 1.00 0.00 C ATOM 1626 C LEU C 2 8.490 0.962 5.699 1.00 0.00 C ATOM 1627 O LEU C 2 7.393 0.613 5.274 1.00 0.00 O ATOM 1628 CB LEU C 2 9.939 -1.131 5.361 1.00 0.00 C ATOM 1629 CG LEU C 2 10.847 -0.605 4.244 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.035 -0.007 3.098 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.843 0.430 4.760 1.00 0.00 C ATOM 0 H LEU C 2 7.810 -1.206 6.993 1.00 0.00 H new ATOM 0 HA LEU C 2 10.308 0.447 6.709 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.486 -1.884 5.928 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.084 -1.632 4.907 1.00 0.00 H new ATOM 0 HG LEU C 2 11.405 -1.464 3.870 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.711 0.356 2.324 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.380 -0.771 2.679 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.433 0.821 3.472 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.467 0.777 3.936 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.302 1.275 5.186 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.472 -0.021 5.527 1.00 0.00 H new ATOM 1643 N ILE C 3 8.916 2.225 5.629 1.00 0.00 N ATOM 1644 CA ILE C 3 8.010 3.318 5.312 1.00 0.00 C ATOM 1645 C ILE C 3 8.513 4.137 4.142 1.00 0.00 C ATOM 1646 O ILE C 3 9.718 4.236 3.912 1.00 0.00 O ATOM 1647 CB ILE C 3 7.878 4.196 6.563 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.363 3.331 7.714 1.00 0.00 C ATOM 1649 CG2 ILE C 3 6.932 5.380 6.333 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.526 4.035 9.049 1.00 0.00 C ATOM 0 H ILE C 3 9.882 2.510 5.788 1.00 0.00 H new ATOM 0 HA ILE C 3 7.040 2.914 5.021 1.00 0.00 H new ATOM 0 HB ILE C 3 8.858 4.609 6.803 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.312 3.094 7.551 1.00 0.00 H new ATOM 0 HG13 ILE C 3 7.904 2.385 7.731 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.867 5.976 7.243 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.314 5.999 5.521 1.00 0.00 H new ATOM 0 HG23 ILE C 3 5.941 5.009 6.071 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.151 3.394 9.847 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.581 4.249 9.221 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.964 4.969 9.039 1.00 0.00 H new ATOM 1662 N LEU C 4 7.559 4.721 3.412 1.00 0.00 N ATOM 1663 CA LEU C 4 7.817 5.542 2.250 1.00 0.00 C ATOM 1664 C LEU C 4 6.797 6.676 2.197 1.00 0.00 C ATOM 1665 O LEU C 4 5.712 6.573 2.769 1.00 0.00 O ATOM 1666 CB LEU C 4 7.706 4.687 0.984 1.00 0.00 C ATOM 1667 CG LEU C 4 8.780 3.599 0.903 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.548 2.777 -0.358 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.179 4.192 0.782 1.00 0.00 C ATOM 0 H LEU C 4 6.566 4.627 3.626 1.00 0.00 H new ATOM 0 HA LEU C 4 8.821 5.960 2.313 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.721 4.221 0.952 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.783 5.332 0.108 1.00 0.00 H new ATOM 0 HG LEU C 4 8.712 3.003 1.813 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.306 1.997 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.560 2.319 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.612 3.425 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.912 3.387 0.727 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.240 4.800 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.387 4.814 1.653 1.00 0.00 H new ATOM 1681 N THR C 5 7.157 7.758 1.504 1.00 0.00 N ATOM 1682 CA THR C 5 6.258 8.879 1.278 1.00 0.00 C ATOM 1683 C THR C 5 6.164 9.091 -0.224 1.00 0.00 C ATOM 1684 O THR C 5 7.183 9.126 -0.916 1.00 0.00 O ATOM 1685 CB THR C 5 6.772 10.133 1.984 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.018 9.858 3.345 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.746 11.257 1.921 1.00 0.00 C ATOM 0 H THR C 5 8.080 7.877 1.086 1.00 0.00 H new ATOM 0 HA THR C 5 5.270 8.669 1.688 1.00 0.00 H new ATOM 0 HB THR C 5 7.688 10.437 1.478 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.816 10.346 3.638 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.138 12.137 2.431 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.540 11.503 0.879 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.825 10.936 2.407 1.00 0.00 H new ATOM 1695 N ARG C 6 4.937 9.233 -0.730 1.00 0.00 N ATOM 1696 CA ARG C 6 4.677 9.291 -2.162 1.00 0.00 C ATOM 1697 C ARG C 6 3.605 10.327 -2.451 1.00 0.00 C ATOM 1698 O ARG C 6 3.193 11.049 -1.548 1.00 0.00 O ATOM 1699 CB ARG C 6 4.228 7.914 -2.651 1.00 0.00 C ATOM 1700 CG ARG C 6 5.098 6.810 -2.059 1.00 0.00 C ATOM 1701 CD ARG C 6 4.750 5.489 -2.724 1.00 0.00 C ATOM 1702 NE ARG C 6 3.310 5.208 -2.708 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.706 4.365 -1.866 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.373 3.788 -0.871 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.412 4.094 -2.013 1.00 0.00 N ATOM 0 H ARG C 6 4.098 9.311 -0.155 1.00 0.00 H new ATOM 0 HA ARG C 6 5.588 9.578 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.187 7.748 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.279 7.877 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.152 7.041 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.938 6.742 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.102 5.503 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.279 4.682 -2.218 1.00 0.00 H new ATOM 0 HE ARG C 6 2.727 5.692 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.365 3.986 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.893 3.147 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.882 4.530 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.950 3.450 -1.371 1.00 0.00 H new ATOM 1719 N LYS C 7 3.152 10.404 -3.705 1.00 0.00 N ATOM 1720 CA LYS C 7 2.040 11.276 -4.066 1.00 0.00 C ATOM 1721 C LYS C 7 1.027 10.527 -4.899 1.00 0.00 C ATOM 1722 O LYS C 7 1.338 9.476 -5.457 1.00 0.00 O ATOM 1723 CB LYS C 7 2.520 12.530 -4.797 1.00 0.00 C ATOM 1724 CG LYS C 7 3.099 12.230 -6.181 1.00 0.00 C ATOM 1725 CD LYS C 7 3.290 13.522 -6.978 1.00 0.00 C ATOM 1726 CE LYS C 7 4.103 14.533 -6.175 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.393 15.741 -6.966 1.00 0.00 N ATOM 0 H LYS C 7 3.540 9.872 -4.484 1.00 0.00 H new ATOM 0 HA LYS C 7 1.561 11.599 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.687 13.225 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.278 13.029 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.055 11.716 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.433 11.558 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS C 7 3.797 13.304 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.319 13.947 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.555 14.809 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.038 14.075 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.947 16.408 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.937 15.479 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.500 16.190 -7.253 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.190 11.066 -4.983 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.242 10.423 -5.758 1.00 0.00 C ATOM 1743 C VAL C 8 -0.785 10.164 -7.188 1.00 0.00 C ATOM 1744 O VAL C 8 -0.519 11.087 -7.957 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.550 11.207 -5.669 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.910 11.298 -4.190 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.490 12.624 -6.235 1.00 0.00 C ATOM 0 H VAL C 8 -0.466 11.936 -4.528 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.449 9.445 -5.324 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.286 10.677 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.842 11.852 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -3.032 10.294 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.114 11.813 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.464 13.100 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.742 13.201 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.221 12.583 -7.290 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.693 8.879 -7.531 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.282 8.418 -8.850 1.00 0.00 C ATOM 1759 C GLY C 9 0.995 7.577 -8.820 1.00 0.00 C ATOM 1760 O GLY C 9 1.258 6.847 -9.775 1.00 0.00 O ATOM 0 H GLY C 9 -0.907 8.119 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.087 7.830 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.127 9.281 -9.498 1.00 0.00 H new ATOM 1764 N GLU C 10 1.793 7.661 -7.746 1.00 0.00 N ATOM 1765 CA GLU C 10 3.023 6.882 -7.655 1.00 0.00 C ATOM 1766 C GLU C 10 2.734 5.406 -7.379 1.00 0.00 C ATOM 1767 O GLU C 10 1.604 5.031 -7.064 1.00 0.00 O ATOM 1768 CB GLU C 10 3.926 7.427 -6.539 1.00 0.00 C ATOM 1769 CG GLU C 10 4.446 8.832 -6.850 1.00 0.00 C ATOM 1770 CD GLU C 10 5.722 9.126 -6.068 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.781 8.579 -6.457 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.638 9.893 -5.085 1.00 0.00 O ATOM 0 H GLU C 10 1.606 8.256 -6.939 1.00 0.00 H new ATOM 0 HA GLU C 10 3.529 6.969 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.370 7.446 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.770 6.753 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.640 8.924 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.684 9.570 -6.600 1.00 0.00 H new ATOM 1779 N SER C 11 3.771 4.570 -7.502 1.00 0.00 N ATOM 1780 CA SER C 11 3.675 3.133 -7.283 1.00 0.00 C ATOM 1781 C SER C 11 4.889 2.637 -6.496 1.00 0.00 C ATOM 1782 O SER C 11 5.884 3.353 -6.374 1.00 0.00 O ATOM 1783 CB SER C 11 3.584 2.405 -8.622 1.00 0.00 C ATOM 1784 OG SER C 11 2.421 2.791 -9.324 1.00 0.00 O ATOM 0 H SER C 11 4.708 4.881 -7.759 1.00 0.00 H new ATOM 0 HA SER C 11 2.774 2.924 -6.706 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.467 2.626 -9.222 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.573 1.328 -8.456 1.00 0.00 H new ATOM 0 HG SER C 11 1.658 2.263 -9.009 1.00 0.00 H new ATOM 1790 N ILE C 12 4.793 1.414 -5.972 1.00 0.00 N ATOM 1791 CA ILE C 12 5.792 0.777 -5.115 1.00 0.00 C ATOM 1792 C ILE C 12 5.819 -0.720 -5.420 1.00 0.00 C ATOM 1793 O ILE C 12 4.871 -1.241 -6.001 1.00 0.00 O ATOM 1794 CB ILE C 12 5.420 1.040 -3.647 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.494 2.536 -3.325 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.296 0.269 -2.654 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.894 3.127 -3.501 1.00 0.00 C ATOM 0 H ILE C 12 3.984 0.817 -6.141 1.00 0.00 H new ATOM 0 HA ILE C 12 6.785 1.185 -5.300 1.00 0.00 H new ATOM 0 HB ILE C 12 4.397 0.681 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.797 3.073 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.167 2.696 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.981 0.499 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.193 -0.801 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.338 0.560 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.874 4.189 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.591 2.615 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.216 2.999 -4.534 1.00 0.00 H new ATOM 1809 N ASN C 13 6.887 -1.425 -5.033 1.00 0.00 N ATOM 1810 CA ASN C 13 7.051 -2.830 -5.366 1.00 0.00 C ATOM 1811 C ASN C 13 7.251 -3.689 -4.119 1.00 0.00 C ATOM 1812 O ASN C 13 7.820 -3.237 -3.125 1.00 0.00 O ATOM 1813 CB ASN C 13 8.252 -2.978 -6.301 1.00 0.00 C ATOM 1814 CG ASN C 13 8.023 -2.284 -7.634 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.643 -1.265 -7.922 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.130 -2.824 -8.459 1.00 0.00 N ATOM 0 H ASN C 13 7.653 -1.035 -4.484 1.00 0.00 H new ATOM 0 HA ASN C 13 6.142 -3.178 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.138 -2.561 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.450 -4.036 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.943 -2.390 -9.363 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.632 -3.672 -8.188 1.00 0.00 H new ATOM 1823 N ILE C 14 6.776 -4.938 -4.202 1.00 0.00 N ATOM 1824 CA ILE C 14 6.869 -5.928 -3.139 1.00 0.00 C ATOM 1825 C ILE C 14 7.148 -7.289 -3.767 1.00 0.00 C ATOM 1826 O ILE C 14 6.494 -7.679 -4.736 1.00 0.00 O ATOM 1827 CB ILE C 14 5.551 -5.989 -2.346 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.224 -4.613 -1.752 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.648 -7.058 -1.251 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.931 -4.628 -0.937 1.00 0.00 C ATOM 0 H ILE C 14 6.305 -5.290 -5.035 1.00 0.00 H new ATOM 0 HA ILE C 14 7.672 -5.653 -2.456 1.00 0.00 H new ATOM 0 HB ILE C 14 4.739 -6.264 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.048 -4.288 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.136 -3.883 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.711 -7.095 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.838 -8.030 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.464 -6.810 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.742 -3.632 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.101 -4.926 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE C 14 4.027 -5.337 -0.115 1.00 0.00 H new ATOM 1842 N GLY C 15 8.124 -8.014 -3.216 1.00 0.00 N ATOM 1843 CA GLY C 15 8.510 -9.313 -3.738 1.00 0.00 C ATOM 1844 C GLY C 15 8.840 -9.220 -5.226 1.00 0.00 C ATOM 1845 O GLY C 15 9.385 -8.217 -5.693 1.00 0.00 O ATOM 0 H GLY C 15 8.661 -7.714 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.375 -9.688 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.701 -10.027 -3.584 1.00 0.00 H new ATOM 1849 N ASP C 16 8.505 -10.274 -5.973 1.00 0.00 N ATOM 1850 CA ASP C 16 8.697 -10.325 -7.416 1.00 0.00 C ATOM 1851 C ASP C 16 7.375 -10.635 -8.125 1.00 0.00 C ATOM 1852 O ASP C 16 7.373 -11.001 -9.299 1.00 0.00 O ATOM 1853 CB ASP C 16 9.808 -11.320 -7.763 1.00 0.00 C ATOM 1854 CG ASP C 16 9.452 -12.759 -7.396 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.387 -13.049 -6.180 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.248 -13.558 -8.336 1.00 0.00 O ATOM 0 H ASP C 16 8.090 -11.121 -5.586 1.00 0.00 H new ATOM 0 HA ASP C 16 9.019 -9.348 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.018 -11.264 -8.831 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.722 -11.033 -7.243 1.00 0.00 H new ATOM 1861 N ASP C 17 6.252 -10.490 -7.411 1.00 0.00 N ATOM 1862 CA ASP C 17 4.926 -10.774 -7.951 1.00 0.00 C ATOM 1863 C ASP C 17 3.905 -9.700 -7.578 1.00 0.00 C ATOM 1864 O ASP C 17 2.743 -9.829 -7.957 1.00 0.00 O ATOM 1865 CB ASP C 17 4.435 -12.135 -7.440 1.00 0.00 C ATOM 1866 CG ASP C 17 5.333 -13.282 -7.895 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.290 -13.592 -9.109 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.047 -13.835 -7.032 1.00 0.00 O ATOM 0 H ASP C 17 6.242 -10.172 -6.442 1.00 0.00 H new ATOM 0 HA ASP C 17 5.017 -10.786 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.394 -12.119 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.419 -12.309 -7.795 1.00 0.00 H new ATOM 1873 N ILE C 18 4.293 -8.641 -6.853 1.00 0.00 N ATOM 1874 CA ILE C 18 3.323 -7.639 -6.421 1.00 0.00 C ATOM 1875 C ILE C 18 3.824 -6.219 -6.656 1.00 0.00 C ATOM 1876 O ILE C 18 5.020 -5.940 -6.584 1.00 0.00 O ATOM 1877 CB ILE C 18 2.973 -7.831 -4.934 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.498 -9.255 -4.623 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.873 -6.856 -4.510 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.668 -10.100 -4.116 1.00 0.00 C ATOM 0 H ILE C 18 5.254 -8.462 -6.561 1.00 0.00 H new ATOM 0 HA ILE C 18 2.427 -7.780 -7.025 1.00 0.00 H new ATOM 0 HB ILE C 18 3.891 -7.640 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.707 -9.227 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.073 -9.709 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.639 -7.007 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.215 -5.832 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.979 -7.033 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.320 -11.110 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.445 -10.141 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.074 -9.652 -3.209 1.00 0.00 H new ATOM 1892 N THR C 19 2.875 -5.326 -6.934 1.00 0.00 N ATOM 1893 CA THR C 19 3.102 -3.898 -7.082 1.00 0.00 C ATOM 1894 C THR C 19 1.943 -3.184 -6.391 1.00 0.00 C ATOM 1895 O THR C 19 0.846 -3.736 -6.293 1.00 0.00 O ATOM 1896 CB THR C 19 3.195 -3.547 -8.573 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.298 -4.227 -9.139 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.379 -2.052 -8.819 1.00 0.00 C ATOM 0 H THR C 19 1.898 -5.590 -7.066 1.00 0.00 H new ATOM 0 HA THR C 19 4.040 -3.584 -6.624 1.00 0.00 H new ATOM 0 HB THR C 19 2.254 -3.849 -9.032 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.363 -4.009 -10.092 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.438 -1.864 -9.891 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.532 -1.508 -8.402 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.298 -1.715 -8.340 1.00 0.00 H new ATOM 1906 N ILE C 20 2.182 -1.964 -5.915 1.00 0.00 N ATOM 1907 CA ILE C 20 1.217 -1.192 -5.148 1.00 0.00 C ATOM 1908 C ILE C 20 1.139 0.208 -5.747 1.00 0.00 C ATOM 1909 O ILE C 20 2.123 0.696 -6.296 1.00 0.00 O ATOM 1910 CB ILE C 20 1.669 -1.122 -3.682 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.866 -2.515 -3.069 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.685 -0.310 -2.838 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.557 -3.285 -2.930 1.00 0.00 C ATOM 0 H ILE C 20 3.068 -1.479 -6.056 1.00 0.00 H new ATOM 0 HA ILE C 20 0.234 -1.661 -5.185 1.00 0.00 H new ATOM 0 HB ILE C 20 2.635 -0.618 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.555 -3.087 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.330 -2.414 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.032 -0.278 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.620 0.705 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.299 -0.777 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.755 -4.263 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.125 -2.730 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE C 20 0.104 -3.413 -3.913 1.00 0.00 H new ATOM 1925 N THR C 21 -0.024 0.851 -5.645 1.00 0.00 N ATOM 1926 CA THR C 21 -0.221 2.180 -6.213 1.00 0.00 C ATOM 1927 C THR C 21 -1.148 3.001 -5.331 1.00 0.00 C ATOM 1928 O THR C 21 -2.080 2.466 -4.739 1.00 0.00 O ATOM 1929 CB THR C 21 -0.816 2.048 -7.620 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.007 1.203 -8.406 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.915 3.392 -8.333 1.00 0.00 C ATOM 0 H THR C 21 -0.844 0.470 -5.173 1.00 0.00 H new ATOM 0 HA THR C 21 0.741 2.690 -6.271 1.00 0.00 H new ATOM 0 HB THR C 21 -1.818 1.637 -7.500 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.393 1.122 -9.303 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.342 3.247 -9.325 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.553 4.063 -7.758 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.079 3.828 -8.426 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.888 4.305 -5.244 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.744 5.255 -4.543 1.00 0.00 C ATOM 1941 C ILE C 22 -2.591 5.953 -5.606 1.00 0.00 C ATOM 1942 O ILE C 22 -2.172 6.945 -6.194 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.895 6.219 -3.693 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.677 7.437 -3.191 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.326 6.738 -4.455 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.918 7.028 -2.410 1.00 0.00 C ATOM 0 H ILE C 22 -0.065 4.735 -5.665 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.409 4.764 -3.832 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.583 5.618 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.033 8.047 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.969 8.057 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.894 7.414 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.957 5.898 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -0.002 7.272 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.445 7.920 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.575 6.440 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.624 6.430 -1.547 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.797 5.431 -5.862 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.609 5.933 -6.962 1.00 0.00 C ATOM 1960 C LEU C 23 -5.040 7.372 -6.680 1.00 0.00 C ATOM 1961 O LEU C 23 -5.220 8.156 -7.612 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.834 5.049 -7.205 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.579 3.553 -6.998 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.874 2.812 -7.290 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.501 3.008 -7.930 1.00 0.00 C ATOM 0 H LEU C 23 -4.222 4.673 -5.328 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.001 5.911 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.635 5.366 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.187 5.209 -8.224 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.238 3.409 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.720 1.742 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.653 3.159 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.179 3.003 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.361 1.944 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.807 3.155 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.564 3.535 -7.750 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.205 7.718 -5.400 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.489 9.089 -5.001 1.00 0.00 C ATOM 1979 C GLY C 24 -6.128 9.159 -3.622 1.00 0.00 C ATOM 1980 O GLY C 24 -6.168 8.162 -2.901 1.00 0.00 O ATOM 0 H GLY C 24 -5.145 7.060 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.564 9.666 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.153 9.550 -5.732 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.634 10.338 -3.254 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.335 10.515 -1.983 1.00 0.00 C ATOM 1986 C VAL C 25 -8.716 11.123 -2.227 1.00 0.00 C ATOM 1987 O VAL C 25 -9.025 11.559 -3.335 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.505 11.330 -0.977 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -5.013 10.997 -1.051 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.659 12.838 -1.159 1.00 0.00 C ATOM 0 H VAL C 25 -6.571 11.184 -3.820 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.475 9.535 -1.528 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.901 11.045 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.469 11.598 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.865 9.939 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.640 11.216 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -6.049 13.358 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.333 13.119 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.705 13.116 -1.026 1.00 0.00 H new ATOM 2000 N SER C 26 -9.542 11.149 -1.179 1.00 0.00 N ATOM 2001 CA SER C 26 -10.931 11.586 -1.251 1.00 0.00 C ATOM 2002 C SER C 26 -11.308 12.272 0.055 1.00 0.00 C ATOM 2003 O SER C 26 -12.343 11.975 0.647 1.00 0.00 O ATOM 2004 CB SER C 26 -11.819 10.362 -1.472 1.00 0.00 C ATOM 2005 OG SER C 26 -11.745 9.931 -2.812 1.00 0.00 O ATOM 0 H SER C 26 -9.256 10.862 -0.243 1.00 0.00 H new ATOM 0 HA SER C 26 -11.065 12.288 -2.074 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.508 9.556 -0.807 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.851 10.604 -1.219 1.00 0.00 H new ATOM 0 HG SER C 26 -12.318 9.146 -2.935 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.461 13.196 0.502 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.558 13.771 1.828 1.00 0.00 C ATOM 2013 C GLY C 27 -9.435 13.164 2.660 1.00 0.00 C ATOM 2014 O GLY C 27 -8.349 12.929 2.133 1.00 0.00 O ATOM 0 H GLY C 27 -9.688 13.564 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.463 14.856 1.786 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.529 13.553 2.273 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.673 12.900 3.945 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.653 12.254 4.753 1.00 0.00 C ATOM 2020 C GLN C 28 -8.643 10.738 4.519 1.00 0.00 C ATOM 2021 O GLN C 28 -7.764 10.026 5.017 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.838 12.634 6.224 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.551 12.377 7.010 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.378 13.157 6.420 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.665 12.554 5.469 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -6.113 14.291 6.812 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.541 13.119 4.434 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.669 12.610 4.449 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.115 13.685 6.302 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -9.656 12.056 6.655 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.695 12.664 8.052 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.323 11.311 7.001 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -6.679 14.724 7.542 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.327 14.800 6.408 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.627 10.246 3.757 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.634 8.873 3.281 1.00 0.00 C ATOM 2037 C GLN C 29 -8.752 8.777 2.037 1.00 0.00 C ATOM 2038 O GLN C 29 -8.467 9.784 1.392 1.00 0.00 O ATOM 2039 CB GLN C 29 -11.067 8.398 3.016 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.621 8.858 1.672 1.00 0.00 C ATOM 2041 CD GLN C 29 -13.050 8.361 1.476 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.838 8.341 2.412 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.387 7.958 0.255 1.00 0.00 N ATOM 0 H GLN C 29 -10.435 10.793 3.458 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.226 8.211 4.044 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -11.094 7.309 3.058 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.716 8.764 3.812 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.599 9.946 1.618 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.988 8.486 0.866 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.702 7.990 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.331 7.617 0.073 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.315 7.565 1.697 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.336 7.338 0.647 1.00 0.00 C ATOM 2054 C VAL C 30 -7.727 6.097 -0.150 1.00 0.00 C ATOM 2055 O VAL C 30 -8.326 5.175 0.399 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.954 7.160 1.294 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.866 6.947 0.245 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.571 8.393 2.117 1.00 0.00 C ATOM 0 H VAL C 30 -8.636 6.709 2.149 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.303 8.187 -0.035 1.00 0.00 H new ATOM 0 HB VAL C 30 -6.025 6.282 1.936 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.902 6.825 0.740 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -5.091 6.053 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.826 7.811 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.589 8.241 2.564 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.543 9.269 1.469 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.308 8.548 2.905 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.384 6.079 -1.441 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.636 4.939 -2.309 1.00 0.00 C ATOM 2070 C ARG C 31 -6.316 4.393 -2.819 1.00 0.00 C ATOM 2071 O ARG C 31 -5.509 5.110 -3.407 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.529 5.317 -3.493 1.00 0.00 C ATOM 2073 CG ARG C 31 -10.005 5.106 -3.161 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.784 4.932 -4.461 1.00 0.00 C ATOM 2075 NE ARG C 31 -10.695 6.128 -5.297 1.00 0.00 N ATOM 2076 CZ ARG C 31 -10.825 6.135 -6.628 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.063 5.009 -7.295 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -10.717 7.269 -7.310 1.00 0.00 N ATOM 0 H ARG C 31 -6.923 6.859 -1.909 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.157 4.179 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.359 6.360 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.259 4.716 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -10.127 4.227 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -10.391 5.958 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.395 4.073 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.829 4.720 -4.236 1.00 0.00 H new ATOM 0 HE ARG C 31 -10.522 7.019 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.149 4.126 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.160 5.028 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -10.533 8.144 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -10.818 7.265 -8.325 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.120 3.098 -2.577 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.875 2.409 -2.849 1.00 0.00 C ATOM 2094 C ILE C 32 -5.202 1.172 -3.673 1.00 0.00 C ATOM 2095 O ILE C 32 -6.211 0.506 -3.433 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.220 2.037 -1.511 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.010 3.295 -0.658 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.886 1.327 -1.749 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.559 2.960 0.763 1.00 0.00 C ATOM 0 H ILE C 32 -6.839 2.494 -2.179 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.177 3.033 -3.407 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.882 1.357 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.265 3.934 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.939 3.864 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.435 1.070 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.056 0.418 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.216 1.987 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.423 3.882 1.329 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.316 2.344 1.249 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.616 2.415 0.726 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.345 0.871 -4.648 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.541 -0.251 -5.538 1.00 0.00 C ATOM 2113 C GLY C 33 -3.401 -1.242 -5.382 1.00 0.00 C ATOM 2114 O GLY C 33 -2.321 -0.902 -4.904 1.00 0.00 O ATOM 0 H GLY C 33 -3.497 1.405 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.491 -0.739 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.593 0.097 -6.570 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.661 -2.479 -5.793 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.722 -3.575 -5.663 1.00 0.00 C ATOM 2120 C ILE C 34 -2.716 -4.314 -6.988 1.00 0.00 C ATOM 2121 O ILE C 34 -3.733 -4.389 -7.676 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.148 -4.482 -4.502 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.290 -3.665 -3.213 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.120 -5.599 -4.301 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -3.928 -4.486 -2.092 1.00 0.00 C ATOM 0 H ILE C 34 -4.543 -2.746 -6.231 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.715 -3.223 -5.438 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.113 -4.927 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.308 -3.314 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.897 -2.781 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.433 -6.237 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.047 -6.194 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.147 -5.162 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.012 -3.873 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -4.920 -4.815 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.307 -5.356 -1.880 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.564 -4.862 -7.345 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.370 -5.527 -8.619 1.00 0.00 C ATOM 2139 C ASN C 35 -0.575 -6.804 -8.383 1.00 0.00 C ATOM 2140 O ASN C 35 0.655 -6.796 -8.394 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.669 -4.568 -9.578 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.537 -5.143 -10.978 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.075 -6.204 -11.284 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.181 -4.442 -11.848 1.00 0.00 N ATOM 0 H ASN C 35 -0.734 -4.856 -6.753 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.321 -5.805 -9.074 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.226 -3.632 -9.623 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.322 -4.331 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.299 -4.781 -12.803 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.615 -3.564 -11.561 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.301 -7.898 -8.168 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.734 -9.196 -7.853 1.00 0.00 C ATOM 2153 C ALA C 36 -1.523 -10.294 -8.562 1.00 0.00 C ATOM 2154 O ALA C 36 -2.674 -10.081 -8.937 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.810 -9.416 -6.342 1.00 0.00 C ATOM 0 H ALA C 36 -2.320 -7.902 -8.210 1.00 0.00 H new ATOM 0 HA ALA C 36 0.303 -9.230 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.386 -10.389 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.247 -8.635 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.851 -9.381 -6.021 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.909 -11.467 -8.742 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.594 -12.645 -9.225 1.00 0.00 C ATOM 2163 C PRO C 37 -2.578 -13.134 -8.172 1.00 0.00 C ATOM 2164 O PRO C 37 -2.421 -12.867 -6.981 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.491 -13.678 -9.440 1.00 0.00 C ATOM 2166 CG PRO C 37 0.622 -13.253 -8.491 1.00 0.00 C ATOM 2167 CD PRO C 37 0.490 -11.736 -8.483 1.00 0.00 C ATOM 0 HA PRO C 37 -2.160 -12.456 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.841 -14.685 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.149 -13.684 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.490 -13.677 -7.495 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.602 -13.573 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.798 -11.321 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.124 -11.283 -9.245 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.604 -13.862 -8.607 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.580 -14.451 -7.701 1.00 0.00 C ATOM 2177 C LYS C 38 -3.946 -15.623 -6.956 1.00 0.00 C ATOM 2178 O LYS C 38 -4.577 -16.270 -6.122 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.806 -14.871 -8.507 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.280 -13.635 -9.275 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.407 -13.988 -10.228 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.744 -14.041 -9.484 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.855 -14.327 -10.411 1.00 0.00 N ATOM 0 H LYS C 38 -3.779 -14.058 -9.593 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.900 -13.728 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.558 -15.680 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.592 -15.241 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.618 -12.873 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.447 -13.207 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.459 -13.250 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.206 -14.952 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.704 -14.809 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.922 -13.091 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.750 -14.358 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.905 -13.580 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.694 -15.245 -10.873 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.677 -15.876 -7.284 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.810 -16.815 -6.587 1.00 0.00 C ATOM 2199 C ASP C 39 -1.518 -16.334 -5.164 1.00 0.00 C ATOM 2200 O ASP C 39 -0.929 -17.069 -4.370 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.499 -16.944 -7.368 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.673 -17.791 -8.623 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.514 -19.027 -8.511 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.970 -17.201 -9.686 1.00 0.00 O ATOM 0 H ASP C 39 -2.214 -15.416 -8.068 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.309 -17.782 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.141 -15.952 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.263 -17.391 -6.729 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.930 -15.102 -4.843 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.777 -14.517 -3.520 1.00 0.00 C ATOM 2211 C VAL C 40 -3.070 -13.797 -3.158 1.00 0.00 C ATOM 2212 O VAL C 40 -3.872 -13.461 -4.030 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.577 -13.559 -3.479 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.680 -14.247 -4.015 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.831 -12.316 -4.323 1.00 0.00 C ATOM 0 H VAL C 40 -2.385 -14.480 -5.511 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.582 -15.302 -2.790 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.436 -13.271 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.519 -13.552 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.905 -15.121 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.513 -14.559 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.037 -11.659 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.005 -12.609 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.707 -11.790 -3.942 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.282 -13.553 -1.866 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.511 -12.937 -1.402 1.00 0.00 C ATOM 2227 C ALA C 41 -4.282 -11.469 -1.065 1.00 0.00 C ATOM 2228 O ALA C 41 -3.221 -11.116 -0.562 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.987 -13.696 -0.162 1.00 0.00 C ATOM 0 H ALA C 41 -2.615 -13.775 -1.127 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.267 -12.984 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.911 -13.250 0.205 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.166 -14.740 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.224 -13.640 0.614 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.275 -10.618 -1.341 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.201 -9.205 -0.982 1.00 0.00 C ATOM 2237 C VAL C 42 -6.582 -8.720 -0.552 1.00 0.00 C ATOM 2238 O VAL C 42 -7.549 -8.831 -1.304 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.647 -8.372 -2.147 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.223 -8.803 -2.489 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.463 -8.502 -3.430 1.00 0.00 C ATOM 0 H VAL C 42 -6.139 -10.887 -1.812 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.513 -9.081 -0.146 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.689 -7.340 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.849 -8.200 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.581 -8.662 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.220 -9.855 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.014 -7.887 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.474 -9.544 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.484 -8.168 -3.247 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.685 -8.179 0.665 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.951 -7.683 1.192 1.00 0.00 C ATOM 2253 C HIS C 43 -7.697 -6.638 2.273 1.00 0.00 C ATOM 2254 O HIS C 43 -6.574 -6.495 2.752 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.773 -8.819 1.822 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.717 -10.141 1.102 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.687 -10.619 0.215 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.717 -11.060 1.208 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.245 -11.821 -0.183 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.069 -12.112 0.393 1.00 0.00 N ATOM 0 H HIS C 43 -5.898 -8.075 1.305 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.502 -7.249 0.358 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.428 -8.968 2.845 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.814 -8.501 1.880 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.548 -10.152 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.825 -10.979 1.812 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.766 -12.467 -0.874 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.743 -5.905 2.666 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.651 -5.006 3.809 1.00 0.00 C ATOM 2270 C ARG C 44 -8.878 -5.813 5.085 1.00 0.00 C ATOM 2271 O ARG C 44 -9.379 -6.935 5.024 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.637 -3.839 3.675 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.100 -4.293 3.686 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.991 -3.057 3.550 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.413 -3.405 3.620 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.100 -3.978 2.626 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.508 -4.281 1.475 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.393 -4.250 2.784 1.00 0.00 N ATOM 0 H ARG C 44 -9.655 -5.919 2.210 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.658 -4.559 3.851 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.474 -3.136 4.492 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.435 -3.303 2.748 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.288 -4.987 2.867 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.326 -4.823 4.611 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.751 -2.346 4.341 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.784 -2.561 2.602 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.912 -3.196 4.485 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.518 -4.077 1.342 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.044 -4.718 0.725 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.859 -4.021 3.662 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.918 -4.687 2.027 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.514 -5.250 6.236 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.598 -5.947 7.516 1.00 0.00 C ATOM 2294 C GLU C 45 -9.951 -6.615 7.734 1.00 0.00 C ATOM 2295 O GLU C 45 -10.014 -7.720 8.261 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.362 -4.952 8.649 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.999 -4.295 8.500 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.707 -3.383 9.687 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -7.150 -2.213 9.635 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -6.047 -3.862 10.636 1.00 0.00 O ATOM 0 H GLU C 45 -8.153 -4.299 6.306 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.836 -6.727 7.506 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -9.143 -4.191 8.642 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.424 -5.463 9.610 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.227 -5.061 8.425 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.967 -3.718 7.576 1.00 0.00 H new ATOM 2307 N GLU C 46 -11.031 -5.947 7.326 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.371 -6.465 7.563 1.00 0.00 C ATOM 2309 C GLU C 46 -12.580 -7.829 6.906 1.00 0.00 C ATOM 2310 O GLU C 46 -13.173 -8.706 7.524 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.403 -5.456 7.058 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.842 -5.950 7.258 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.158 -6.266 8.721 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.775 -5.449 9.589 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.785 -7.322 8.957 1.00 0.00 O ATOM 0 H GLU C 46 -11.001 -5.054 6.834 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.497 -6.608 8.636 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.270 -4.509 7.582 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.231 -5.262 5.999 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.536 -5.192 6.896 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -15.003 -6.843 6.654 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.103 -8.030 5.670 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.267 -9.303 4.983 1.00 0.00 C ATOM 2324 C ILE C 47 -11.193 -10.267 5.470 1.00 0.00 C ATOM 2325 O ILE C 47 -11.444 -11.463 5.605 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.119 -9.105 3.466 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.380 -8.542 2.805 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.847 -10.442 2.770 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.790 -7.177 3.344 1.00 0.00 C ATOM 0 H ILE C 47 -11.602 -7.323 5.132 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.258 -9.705 5.195 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.295 -8.401 3.354 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.214 -8.465 1.730 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.201 -9.243 2.951 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.746 -10.280 1.697 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.926 -10.875 3.160 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.676 -11.125 2.957 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.690 -6.839 2.831 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.988 -7.252 4.413 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.985 -6.462 3.174 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.995 -9.740 5.734 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.844 -10.542 6.109 1.00 0.00 C ATOM 2343 C TYR C 48 -9.107 -11.345 7.379 1.00 0.00 C ATOM 2344 O TYR C 48 -8.617 -12.465 7.525 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.662 -9.599 6.316 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.402 -10.325 6.706 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.590 -10.911 5.727 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.056 -10.408 8.060 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.418 -11.586 6.102 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.894 -11.081 8.442 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.064 -11.666 7.466 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.925 -12.317 7.834 1.00 0.00 O ATOM 0 H TYR C 48 -9.802 -8.739 5.691 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.631 -11.260 5.317 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.484 -9.038 5.398 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.913 -8.873 7.089 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.865 -10.844 4.685 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.687 -9.952 8.808 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.790 -12.042 5.351 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.631 -11.153 9.487 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.827 -12.279 8.808 1.00 0.00 H new