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 13 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.35) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc=-0.00726 USER MOD Set 3.1: A 11 SER OG : rot -84:sc= 0.131 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.128 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.6) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 151:sc= -1.1 (180deg=-2.16!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.236 F(o=-2.5!,f=-0.24) USER MOD Single : A 29 GLN : amide:sc= -2.33 K(o=-2.3,f=-5.4!) USER MOD Single : A 35 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0577 (180deg=-0.394) USER MOD Single : A 43 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-3.3!) USER MOD Single : A 48 TYR OH : rot -24:sc= 0.686 USER MOD Single : C 1 MET CE :methyl -152:sc= -1.05 (180deg=-2.94!) USER MOD Single : C 1 MET N :NH3+ -119:sc= 0.044 (180deg=-0.131) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 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 : amide:sc= -0.408 K(o=-0.41,f=-4.5!) USER MOD Single : C 29 GLN : amide:sc= -0.989 X(o=-0.99,f=-0.99) USER MOD Single : C 35 ASN : amide:sc=-0.000794 K(o=-0.00079,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ 157:sc= -0.0283 (180deg=-0.344) USER MOD Single : C 43 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3.1) USER MOD Single : C 48 TYR OH : rot -64:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.099 10.476 -3.056 1.00 0.00 N ATOM 2 CA MET A 1 -7.489 9.204 -3.491 1.00 0.00 C ATOM 3 C MET A 1 -6.261 9.453 -4.346 1.00 0.00 C ATOM 4 O MET A 1 -6.305 10.281 -5.249 1.00 0.00 O ATOM 5 CB MET A 1 -8.482 8.368 -4.296 1.00 0.00 C ATOM 6 CG MET A 1 -8.754 7.046 -3.594 1.00 0.00 C ATOM 7 SD MET A 1 -7.309 5.966 -3.478 1.00 0.00 S ATOM 8 CE MET A 1 -8.009 4.576 -4.398 1.00 0.00 C ATOM 0 H1 MET A 1 -8.937 10.278 -2.473 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.409 11.019 -2.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.381 11.029 -3.890 1.00 0.00 H new ATOM 0 HA MET A 1 -7.202 8.662 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.414 8.919 -4.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.085 8.182 -5.294 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.125 7.249 -2.589 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.547 6.520 -4.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.208 4.029 -4.895 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.531 3.910 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.711 4.950 -5.144 1.00 0.00 H new ATOM 20 N LEU A 2 -5.176 8.738 -4.061 1.00 0.00 N ATOM 21 CA LEU A 2 -3.938 8.856 -4.804 1.00 0.00 C ATOM 22 C LEU A 2 -3.499 7.448 -5.206 1.00 0.00 C ATOM 23 O LEU A 2 -3.153 6.633 -4.352 1.00 0.00 O ATOM 24 CB LEU A 2 -2.937 9.619 -3.924 1.00 0.00 C ATOM 25 CG LEU A 2 -1.619 10.018 -4.599 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.604 8.887 -4.555 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.827 10.453 -6.047 1.00 0.00 C ATOM 0 H LEU A 2 -5.137 8.058 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.033 9.425 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.422 10.523 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.706 9.004 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.232 10.866 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.317 9.206 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.394 8.627 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.006 8.017 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.868 10.727 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.265 9.632 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.498 11.312 -6.076 1.00 0.00 H new ATOM 39 N ILE A 3 -3.523 7.176 -6.513 1.00 0.00 N ATOM 40 CA ILE A 3 -3.301 5.850 -7.068 1.00 0.00 C ATOM 41 C ILE A 3 -1.978 5.837 -7.822 1.00 0.00 C ATOM 42 O ILE A 3 -1.668 6.779 -8.549 1.00 0.00 O ATOM 43 CB ILE A 3 -4.450 5.472 -8.021 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.795 5.368 -7.311 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.191 4.099 -8.645 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.465 6.731 -7.218 1.00 0.00 C ATOM 0 H ILE A 3 -3.701 7.887 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.268 5.122 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.487 6.266 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.443 4.676 -7.849 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.652 4.959 -6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.011 3.844 -9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.257 4.125 -9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.120 3.349 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.423 6.631 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.825 7.414 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.628 7.126 -8.221 1.00 0.00 H new ATOM 58 N LEU A 4 -1.198 4.771 -7.650 1.00 0.00 N ATOM 59 CA LEU A 4 0.072 4.611 -8.340 1.00 0.00 C ATOM 60 C LEU A 4 0.514 3.151 -8.341 1.00 0.00 C ATOM 61 O LEU A 4 -0.138 2.303 -7.734 1.00 0.00 O ATOM 62 CB LEU A 4 1.114 5.549 -7.722 1.00 0.00 C ATOM 63 CG LEU A 4 1.120 5.627 -6.191 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.636 4.340 -5.551 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.037 6.783 -5.801 1.00 0.00 C ATOM 0 H LEU A 4 -1.432 3.997 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.043 4.891 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.102 5.232 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.952 6.552 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 4 0.100 5.776 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.622 4.442 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.998 3.506 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.656 4.152 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.068 6.872 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.042 6.594 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.657 7.710 -6.230 1.00 0.00 H new ATOM 77 N THR A 5 1.624 2.851 -9.021 1.00 0.00 N ATOM 78 CA THR A 5 2.143 1.492 -9.095 1.00 0.00 C ATOM 79 C THR A 5 3.523 1.380 -8.471 1.00 0.00 C ATOM 80 O THR A 5 4.292 2.342 -8.441 1.00 0.00 O ATOM 81 CB THR A 5 2.248 0.998 -10.542 1.00 0.00 C ATOM 82 OG1 THR A 5 2.949 1.933 -11.329 1.00 0.00 O ATOM 83 CG2 THR A 5 0.892 0.719 -11.176 1.00 0.00 C ATOM 0 H THR A 5 2.180 3.539 -9.529 1.00 0.00 H new ATOM 0 HA THR A 5 1.432 0.877 -8.543 1.00 0.00 H new ATOM 0 HB THR A 5 2.791 0.054 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.010 1.604 -12.250 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.033 0.373 -12.200 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.373 -0.048 -10.602 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.298 1.633 -11.181 1.00 0.00 H new ATOM 91 N ARG A 6 3.813 0.173 -7.982 1.00 0.00 N ATOM 92 CA ARG A 6 5.095 -0.258 -7.444 1.00 0.00 C ATOM 93 C ARG A 6 5.281 -1.714 -7.846 1.00 0.00 C ATOM 94 O ARG A 6 4.331 -2.353 -8.303 1.00 0.00 O ATOM 95 CB ARG A 6 5.085 -0.146 -5.917 1.00 0.00 C ATOM 96 CG ARG A 6 5.232 1.291 -5.422 1.00 0.00 C ATOM 97 CD ARG A 6 6.666 1.593 -4.988 1.00 0.00 C ATOM 98 NE ARG A 6 7.613 1.540 -6.107 1.00 0.00 N ATOM 99 CZ ARG A 6 8.782 2.186 -6.130 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.185 2.900 -5.081 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.558 2.120 -7.203 1.00 0.00 N ATOM 0 H ARG A 6 3.115 -0.570 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 6 5.904 0.363 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.153 -0.563 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.896 -0.750 -5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.938 1.981 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.555 1.459 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.703 2.582 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.970 0.877 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 6 7.363 0.974 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.599 2.958 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.080 3.389 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.263 1.575 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.450 2.614 -7.218 1.00 0.00 H new ATOM 115 N LYS A 7 6.491 -2.245 -7.677 1.00 0.00 N ATOM 116 CA LYS A 7 6.766 -3.654 -7.935 1.00 0.00 C ATOM 117 C LYS A 7 7.258 -4.325 -6.667 1.00 0.00 C ATOM 118 O LYS A 7 7.691 -3.650 -5.733 1.00 0.00 O ATOM 119 CB LYS A 7 7.800 -3.824 -9.045 1.00 0.00 C ATOM 120 CG LYS A 7 7.142 -3.852 -10.419 1.00 0.00 C ATOM 121 CD LYS A 7 8.181 -4.218 -11.473 1.00 0.00 C ATOM 122 CE LYS A 7 7.469 -4.628 -12.758 1.00 0.00 C ATOM 123 NZ LYS A 7 8.442 -4.872 -13.838 1.00 0.00 N ATOM 0 H LYS A 7 7.302 -1.714 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 7 5.838 -4.124 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.520 -3.007 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.356 -4.748 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.327 -4.576 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.706 -2.879 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.839 -3.370 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.808 -5.034 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.880 -5.528 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.773 -3.846 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.937 -5.150 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.986 -4.004 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.090 -5.635 -13.555 1.00 0.00 H new ATOM 137 N VAL A 8 7.199 -5.662 -6.627 1.00 0.00 N ATOM 138 CA VAL A 8 7.620 -6.367 -5.424 1.00 0.00 C ATOM 139 C VAL A 8 9.065 -6.025 -5.081 1.00 0.00 C ATOM 140 O VAL A 8 9.933 -6.037 -5.950 1.00 0.00 O ATOM 141 CB VAL A 8 7.402 -7.877 -5.562 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.923 -8.157 -5.817 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.230 -8.494 -6.686 1.00 0.00 C ATOM 0 H VAL A 8 6.874 -6.256 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 8 6.998 -6.034 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 8 7.728 -8.334 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.768 -9.231 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.332 -7.780 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.612 -7.660 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.034 -9.565 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.958 -8.031 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.289 -8.327 -6.491 1.00 0.00 H new ATOM 153 N GLY A 9 9.316 -5.713 -3.808 1.00 0.00 N ATOM 154 CA GLY A 9 10.653 -5.381 -3.338 1.00 0.00 C ATOM 155 C GLY A 9 10.893 -3.870 -3.292 1.00 0.00 C ATOM 156 O GLY A 9 12.012 -3.445 -3.021 1.00 0.00 O ATOM 0 H GLY A 9 8.600 -5.685 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.801 -5.801 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.391 -5.844 -3.992 1.00 0.00 H new ATOM 160 N GLU A 10 9.866 -3.055 -3.558 1.00 0.00 N ATOM 161 CA GLU A 10 9.988 -1.600 -3.548 1.00 0.00 C ATOM 162 C GLU A 10 9.210 -0.995 -2.377 1.00 0.00 C ATOM 163 O GLU A 10 8.545 -1.719 -1.634 1.00 0.00 O ATOM 164 CB GLU A 10 9.510 -1.032 -4.885 1.00 0.00 C ATOM 165 CG GLU A 10 10.336 -1.606 -6.039 1.00 0.00 C ATOM 166 CD GLU A 10 9.951 -0.985 -7.378 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.756 -0.661 -7.558 1.00 0.00 O ATOM 168 OE2 GLU A 10 10.864 -0.835 -8.221 1.00 0.00 O ATOM 0 H GLU A 10 8.929 -3.389 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 10 11.036 -1.334 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.456 -1.269 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.594 0.055 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.395 -1.432 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.194 -2.686 -6.085 1.00 0.00 H new ATOM 175 N SER A 11 9.288 0.329 -2.197 1.00 0.00 N ATOM 176 CA SER A 11 8.729 0.980 -1.015 1.00 0.00 C ATOM 177 C SER A 11 7.979 2.268 -1.338 1.00 0.00 C ATOM 178 O SER A 11 8.046 2.787 -2.451 1.00 0.00 O ATOM 179 CB SER A 11 9.858 1.280 -0.026 1.00 0.00 C ATOM 180 OG SER A 11 10.499 0.089 0.379 1.00 0.00 O ATOM 0 H SER A 11 9.733 0.967 -2.857 1.00 0.00 H new ATOM 0 HA SER A 11 8.003 0.292 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.583 1.950 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.456 1.797 0.846 1.00 0.00 H new ATOM 0 HG SER A 11 10.001 -0.314 1.121 1.00 0.00 H new ATOM 186 N ILE A 12 7.264 2.767 -0.326 1.00 0.00 N ATOM 187 CA ILE A 12 6.427 3.960 -0.380 1.00 0.00 C ATOM 188 C ILE A 12 6.538 4.662 0.971 1.00 0.00 C ATOM 189 O ILE A 12 7.059 4.085 1.927 1.00 0.00 O ATOM 190 CB ILE A 12 4.969 3.555 -0.670 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.882 2.583 -1.857 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.079 4.774 -0.953 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.443 2.154 -2.126 1.00 0.00 C ATOM 0 H ILE A 12 7.255 2.327 0.594 1.00 0.00 H new ATOM 0 HA ILE A 12 6.751 4.632 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 12 4.606 3.058 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.294 3.058 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.493 1.703 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.060 4.442 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.082 5.436 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.462 5.310 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.420 1.467 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.041 1.656 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.838 3.032 -2.355 1.00 0.00 H new ATOM 205 N ASN A 13 6.056 5.904 1.066 1.00 0.00 N ATOM 206 CA ASN A 13 6.144 6.682 2.292 1.00 0.00 C ATOM 207 C ASN A 13 4.880 7.506 2.510 1.00 0.00 C ATOM 208 O ASN A 13 4.172 7.853 1.561 1.00 0.00 O ATOM 209 CB ASN A 13 7.357 7.612 2.211 1.00 0.00 C ATOM 210 CG ASN A 13 8.663 6.835 2.237 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.232 6.522 1.194 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.150 6.518 3.432 1.00 0.00 N ATOM 0 H ASN A 13 5.597 6.391 0.296 1.00 0.00 H new ATOM 0 HA ASN A 13 6.252 5.997 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.303 8.202 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.334 8.314 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.024 5.998 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.650 6.795 4.277 1.00 0.00 H new ATOM 219 N ILE A 14 4.607 7.814 3.780 1.00 0.00 N ATOM 220 CA ILE A 14 3.449 8.597 4.194 1.00 0.00 C ATOM 221 C ILE A 14 3.899 9.539 5.306 1.00 0.00 C ATOM 222 O ILE A 14 4.668 9.149 6.190 1.00 0.00 O ATOM 223 CB ILE A 14 2.323 7.668 4.672 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.918 6.710 3.544 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.120 8.491 5.140 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.830 5.730 3.983 1.00 0.00 C ATOM 0 H ILE A 14 5.196 7.520 4.559 1.00 0.00 H new ATOM 0 HA ILE A 14 3.055 9.176 3.359 1.00 0.00 H new ATOM 0 HB ILE A 14 2.683 7.078 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.563 7.286 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.794 6.153 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.329 7.821 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.421 9.139 5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.753 9.100 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.576 5.072 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.194 5.134 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.056 6.285 4.291 1.00 0.00 H new ATOM 238 N GLY A 15 3.414 10.781 5.263 1.00 0.00 N ATOM 239 CA GLY A 15 3.821 11.804 6.210 1.00 0.00 C ATOM 240 C GLY A 15 5.341 11.929 6.195 1.00 0.00 C ATOM 241 O GLY A 15 5.953 12.029 5.131 1.00 0.00 O ATOM 0 H GLY A 15 2.733 11.098 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.364 12.759 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.476 11.547 7.211 1.00 0.00 H new ATOM 245 N ASP A 16 5.942 11.920 7.383 1.00 0.00 N ATOM 246 CA ASP A 16 7.389 11.959 7.550 1.00 0.00 C ATOM 247 C ASP A 16 7.789 11.027 8.698 1.00 0.00 C ATOM 248 O ASP A 16 8.878 11.142 9.259 1.00 0.00 O ATOM 249 CB ASP A 16 7.812 13.409 7.797 1.00 0.00 C ATOM 250 CG ASP A 16 9.320 13.566 7.979 1.00 0.00 C ATOM 251 OD1 ASP A 16 10.071 12.912 7.217 1.00 0.00 O ATOM 252 OD2 ASP A 16 9.712 14.340 8.879 1.00 0.00 O ATOM 0 H ASP A 16 5.430 11.885 8.265 1.00 0.00 H new ATOM 0 HA ASP A 16 7.901 11.608 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.486 14.025 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.303 13.784 8.685 1.00 0.00 H new ATOM 257 N ASP A 17 6.896 10.095 9.052 1.00 0.00 N ATOM 258 CA ASP A 17 7.120 9.149 10.138 1.00 0.00 C ATOM 259 C ASP A 17 6.584 7.758 9.798 1.00 0.00 C ATOM 260 O ASP A 17 6.599 6.879 10.655 1.00 0.00 O ATOM 261 CB ASP A 17 6.456 9.655 11.421 1.00 0.00 C ATOM 262 CG ASP A 17 6.978 11.029 11.840 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.038 11.069 12.506 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.312 12.029 11.489 1.00 0.00 O ATOM 0 H ASP A 17 5.995 9.980 8.587 1.00 0.00 H new ATOM 0 HA ASP A 17 8.197 9.069 10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.377 9.708 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.633 8.941 12.225 1.00 0.00 H new ATOM 269 N ILE A 18 6.116 7.537 8.562 1.00 0.00 N ATOM 270 CA ILE A 18 5.595 6.238 8.160 1.00 0.00 C ATOM 271 C ILE A 18 6.201 5.808 6.827 1.00 0.00 C ATOM 272 O ILE A 18 6.473 6.636 5.957 1.00 0.00 O ATOM 273 CB ILE A 18 4.060 6.275 8.075 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.416 6.636 9.420 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.530 4.907 7.636 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.147 8.141 9.519 1.00 0.00 C ATOM 0 H ILE A 18 6.091 8.245 7.829 1.00 0.00 H new ATOM 0 HA ILE A 18 5.876 5.504 8.915 1.00 0.00 H new ATOM 0 HB ILE A 18 3.798 7.044 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.481 6.088 9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.071 6.327 10.235 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.442 4.940 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.938 4.656 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.832 4.150 8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.690 8.366 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.087 8.685 9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.472 8.443 8.718 1.00 0.00 H new ATOM 288 N THR A 19 6.409 4.497 6.682 1.00 0.00 N ATOM 289 CA THR A 19 6.956 3.891 5.480 1.00 0.00 C ATOM 290 C THR A 19 6.206 2.594 5.210 1.00 0.00 C ATOM 291 O THR A 19 5.694 1.964 6.138 1.00 0.00 O ATOM 292 CB THR A 19 8.455 3.632 5.682 1.00 0.00 C ATOM 293 OG1 THR A 19 9.111 4.846 5.985 1.00 0.00 O ATOM 294 CG2 THR A 19 9.103 3.045 4.430 1.00 0.00 C ATOM 0 H THR A 19 6.196 3.820 7.414 1.00 0.00 H new ATOM 0 HA THR A 19 6.838 4.553 4.622 1.00 0.00 H new ATOM 0 HB THR A 19 8.553 2.918 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.068 4.677 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.164 2.876 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.623 2.098 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.985 3.741 3.599 1.00 0.00 H new ATOM 302 N ILE A 20 6.136 2.198 3.939 1.00 0.00 N ATOM 303 CA ILE A 20 5.415 1.012 3.497 1.00 0.00 C ATOM 304 C ILE A 20 6.288 0.277 2.482 1.00 0.00 C ATOM 305 O ILE A 20 7.056 0.914 1.762 1.00 0.00 O ATOM 306 CB ILE A 20 4.090 1.437 2.851 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.214 2.297 3.773 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.295 0.218 2.377 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.664 1.515 4.967 1.00 0.00 C ATOM 0 H ILE A 20 6.588 2.704 3.177 1.00 0.00 H new ATOM 0 HA ILE A 20 5.197 0.355 4.339 1.00 0.00 H new ATOM 0 HB ILE A 20 4.362 2.054 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.798 3.143 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.383 2.707 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.360 0.547 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.880 -0.335 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.077 -0.428 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.053 2.174 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.055 0.685 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.492 1.128 5.561 1.00 0.00 H new ATOM 321 N THR A 21 6.175 -1.050 2.410 1.00 0.00 N ATOM 322 CA THR A 21 6.977 -1.840 1.487 1.00 0.00 C ATOM 323 C THR A 21 6.157 -3.007 0.958 1.00 0.00 C ATOM 324 O THR A 21 5.577 -3.769 1.728 1.00 0.00 O ATOM 325 CB THR A 21 8.230 -2.358 2.202 1.00 0.00 C ATOM 326 OG1 THR A 21 8.934 -1.283 2.786 1.00 0.00 O ATOM 327 CG2 THR A 21 9.169 -3.060 1.223 1.00 0.00 C ATOM 0 H THR A 21 5.533 -1.597 2.983 1.00 0.00 H new ATOM 0 HA THR A 21 7.281 -1.213 0.648 1.00 0.00 H new ATOM 0 HB THR A 21 7.904 -3.063 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.732 -1.624 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.050 -3.418 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.653 -3.905 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.475 -2.359 0.446 1.00 0.00 H new ATOM 335 N ILE A 22 6.110 -3.154 -0.368 1.00 0.00 N ATOM 336 CA ILE A 22 5.440 -4.268 -1.020 1.00 0.00 C ATOM 337 C ILE A 22 6.384 -5.473 -0.963 1.00 0.00 C ATOM 338 O ILE A 22 7.260 -5.631 -1.812 1.00 0.00 O ATOM 339 CB ILE A 22 5.022 -3.869 -2.447 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.620 -5.076 -3.301 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.113 -3.097 -3.191 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.490 -5.864 -2.656 1.00 0.00 C ATOM 0 H ILE A 22 6.540 -2.496 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 22 4.515 -4.542 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 22 4.157 -3.220 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.310 -4.737 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.483 -5.726 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.761 -2.843 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.348 -2.183 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.008 -3.714 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.231 -6.713 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.810 -6.225 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.619 -5.220 -2.538 1.00 0.00 H new ATOM 354 N LEU A 23 6.207 -6.328 0.050 1.00 0.00 N ATOM 355 CA LEU A 23 7.129 -7.435 0.277 1.00 0.00 C ATOM 356 C LEU A 23 7.011 -8.503 -0.810 1.00 0.00 C ATOM 357 O LEU A 23 7.987 -9.197 -1.084 1.00 0.00 O ATOM 358 CB LEU A 23 6.896 -8.060 1.659 1.00 0.00 C ATOM 359 CG LEU A 23 6.832 -7.039 2.798 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.956 -7.764 4.131 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.958 -6.015 2.745 1.00 0.00 C ATOM 0 H LEU A 23 5.439 -6.272 0.718 1.00 0.00 H new ATOM 0 HA LEU A 23 8.139 -7.028 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.965 -8.626 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.696 -8.770 1.865 1.00 0.00 H new ATOM 0 HG LEU A 23 5.880 -6.519 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.911 -7.040 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.139 -8.478 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.908 -8.294 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.857 -5.320 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.918 -6.526 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.906 -5.465 1.805 1.00 0.00 H new ATOM 373 N GLY A 24 5.837 -8.645 -1.432 1.00 0.00 N ATOM 374 CA GLY A 24 5.676 -9.587 -2.533 1.00 0.00 C ATOM 375 C GLY A 24 4.216 -9.904 -2.830 1.00 0.00 C ATOM 376 O GLY A 24 3.313 -9.333 -2.216 1.00 0.00 O ATOM 0 H GLY A 24 4.994 -8.123 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.143 -9.176 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.202 -10.511 -2.294 1.00 0.00 H new ATOM 380 N VAL A 25 3.980 -10.818 -3.779 1.00 0.00 N ATOM 381 CA VAL A 25 2.631 -11.276 -4.103 1.00 0.00 C ATOM 382 C VAL A 25 2.572 -12.795 -4.200 1.00 0.00 C ATOM 383 O VAL A 25 3.597 -13.464 -4.338 1.00 0.00 O ATOM 384 CB VAL A 25 2.132 -10.663 -5.421 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.298 -9.145 -5.435 1.00 0.00 C ATOM 386 CG2 VAL A 25 2.849 -11.263 -6.631 1.00 0.00 C ATOM 0 H VAL A 25 4.714 -11.255 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 25 1.982 -10.946 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 25 1.071 -10.902 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.934 -8.748 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.727 -8.709 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.352 -8.893 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.469 -10.804 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.920 -11.075 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.670 -12.338 -6.664 1.00 0.00 H new ATOM 396 N SER A 26 1.351 -13.325 -4.126 1.00 0.00 N ATOM 397 CA SER A 26 1.070 -14.748 -4.258 1.00 0.00 C ATOM 398 C SER A 26 -0.328 -14.906 -4.843 1.00 0.00 C ATOM 399 O SER A 26 -1.276 -15.238 -4.133 1.00 0.00 O ATOM 400 CB SER A 26 1.197 -15.464 -2.911 1.00 0.00 C ATOM 401 OG SER A 26 2.497 -15.319 -2.381 1.00 0.00 O ATOM 0 H SER A 26 0.515 -12.762 -3.969 1.00 0.00 H new ATOM 0 HA SER A 26 1.799 -15.209 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.467 -15.059 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.967 -16.522 -3.035 1.00 0.00 H new ATOM 0 HG SER A 26 2.553 -15.783 -1.520 1.00 0.00 H new ATOM 407 N GLY A 27 -0.459 -14.665 -6.151 1.00 0.00 N ATOM 408 CA GLY A 27 -1.738 -14.759 -6.831 1.00 0.00 C ATOM 409 C GLY A 27 -2.485 -13.444 -6.691 1.00 0.00 C ATOM 410 O GLY A 27 -2.101 -12.456 -7.315 1.00 0.00 O ATOM 0 H GLY A 27 0.317 -14.402 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.585 -14.992 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.328 -15.571 -6.407 1.00 0.00 H new ATOM 414 N GLN A 28 -3.545 -13.419 -5.874 1.00 0.00 N ATOM 415 CA GLN A 28 -4.203 -12.163 -5.566 1.00 0.00 C ATOM 416 C GLN A 28 -3.653 -11.635 -4.256 1.00 0.00 C ATOM 417 O GLN A 28 -3.908 -10.484 -3.919 1.00 0.00 O ATOM 418 CB GLN A 28 -5.720 -12.292 -5.445 1.00 0.00 C ATOM 419 CG GLN A 28 -6.381 -12.836 -6.707 1.00 0.00 C ATOM 420 CD GLN A 28 -5.752 -12.294 -7.986 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.915 -11.002 -8.243 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -5.123 -13.030 -8.740 1.00 0.00 N flip ATOM 0 H GLN A 28 -3.952 -14.241 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.003 -11.482 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.956 -12.948 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.144 -11.315 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.313 -13.924 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.441 -12.583 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.015 -14.019 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.708 -12.653 -9.592 1.00 0.00 H new ATOM 431 N GLN A 29 -2.910 -12.475 -3.523 1.00 0.00 N ATOM 432 CA GLN A 29 -2.354 -12.064 -2.252 1.00 0.00 C ATOM 433 C GLN A 29 -1.226 -11.071 -2.482 1.00 0.00 C ATOM 434 O GLN A 29 -0.578 -11.070 -3.528 1.00 0.00 O ATOM 435 CB GLN A 29 -1.787 -13.255 -1.481 1.00 0.00 C ATOM 436 CG GLN A 29 -2.835 -14.258 -1.010 1.00 0.00 C ATOM 437 CD GLN A 29 -3.954 -13.618 -0.205 1.00 0.00 C ATOM 438 OE1 GLN A 29 -5.106 -13.638 -0.618 1.00 0.00 O ATOM 439 NE2 GLN A 29 -3.626 -13.049 0.950 1.00 0.00 N ATOM 0 H GLN A 29 -2.688 -13.433 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.158 -11.611 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.066 -13.772 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.241 -12.884 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.262 -14.762 -1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.350 -15.023 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.655 -13.052 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.345 -12.610 1.524 1.00 0.00 H new ATOM 448 N VAL A 30 -1.004 -10.227 -1.477 1.00 0.00 N ATOM 449 CA VAL A 30 0.019 -9.199 -1.495 1.00 0.00 C ATOM 450 C VAL A 30 0.526 -9.054 -0.065 1.00 0.00 C ATOM 451 O VAL A 30 -0.161 -8.469 0.769 1.00 0.00 O ATOM 452 CB VAL A 30 -0.595 -7.883 -1.995 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.486 -6.825 -2.158 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.279 -8.043 -3.355 1.00 0.00 C ATOM 0 H VAL A 30 -1.545 -10.244 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 30 0.842 -9.458 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.333 -7.587 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.037 -5.897 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.971 -6.649 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.226 -7.169 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.698 -7.086 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.549 -8.377 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.078 -8.780 -3.276 1.00 0.00 H new ATOM 464 N ARG A 31 1.722 -9.578 0.233 1.00 0.00 N ATOM 465 CA ARG A 31 2.304 -9.399 1.555 1.00 0.00 C ATOM 466 C ARG A 31 2.897 -7.998 1.602 1.00 0.00 C ATOM 467 O ARG A 31 3.588 -7.589 0.667 1.00 0.00 O ATOM 468 CB ARG A 31 3.366 -10.463 1.854 1.00 0.00 C ATOM 469 CG ARG A 31 3.600 -10.523 3.370 1.00 0.00 C ATOM 470 CD ARG A 31 4.767 -11.430 3.764 1.00 0.00 C ATOM 471 NE ARG A 31 4.642 -12.778 3.191 1.00 0.00 N ATOM 472 CZ ARG A 31 4.276 -13.872 3.866 1.00 0.00 C ATOM 473 NH1 ARG A 31 3.942 -13.815 5.150 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.243 -15.045 3.246 1.00 0.00 N ATOM 0 H ARG A 31 2.292 -10.120 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 31 1.537 -9.515 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.039 -11.435 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.296 -10.222 1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.789 -9.516 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.692 -10.878 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.702 -10.981 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.818 -11.502 4.850 1.00 0.00 H new ATOM 0 HE ARG A 31 4.851 -12.887 2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.961 -12.922 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.666 -14.664 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.496 -15.108 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.965 -15.884 3.756 1.00 0.00 H new ATOM 488 N ILE A 32 2.630 -7.266 2.685 1.00 0.00 N ATOM 489 CA ILE A 32 3.018 -5.872 2.795 1.00 0.00 C ATOM 490 C ILE A 32 3.693 -5.632 4.139 1.00 0.00 C ATOM 491 O ILE A 32 3.358 -6.279 5.126 1.00 0.00 O ATOM 492 CB ILE A 32 1.778 -4.969 2.664 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.806 -5.512 1.605 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.225 -3.548 2.309 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.378 -4.577 1.357 1.00 0.00 C ATOM 0 H ILE A 32 2.140 -7.627 3.504 1.00 0.00 H new ATOM 0 HA ILE A 32 3.717 -5.632 1.994 1.00 0.00 H new ATOM 0 HB ILE A 32 1.248 -4.955 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.344 -5.667 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.434 -6.486 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.350 -2.904 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.875 -3.164 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.768 -3.563 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.032 -5.011 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.936 -4.442 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.012 -3.611 1.010 1.00 0.00 H new ATOM 507 N GLY A 33 4.643 -4.696 4.159 1.00 0.00 N ATOM 508 CA GLY A 33 5.365 -4.293 5.349 1.00 0.00 C ATOM 509 C GLY A 33 4.991 -2.859 5.682 1.00 0.00 C ATOM 510 O GLY A 33 4.687 -2.066 4.791 1.00 0.00 O ATOM 0 H GLY A 33 4.933 -4.189 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.118 -4.951 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.439 -4.375 5.185 1.00 0.00 H new ATOM 514 N ILE A 34 5.015 -2.533 6.970 1.00 0.00 N ATOM 515 CA ILE A 34 4.669 -1.213 7.461 1.00 0.00 C ATOM 516 C ILE A 34 5.666 -0.854 8.547 1.00 0.00 C ATOM 517 O ILE A 34 6.104 -1.716 9.303 1.00 0.00 O ATOM 518 CB ILE A 34 3.233 -1.211 8.004 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.252 -1.654 6.910 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.868 0.184 8.522 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.805 -1.706 7.406 1.00 0.00 C ATOM 0 H ILE A 34 5.279 -3.188 7.706 1.00 0.00 H new ATOM 0 HA ILE A 34 4.713 -0.476 6.659 1.00 0.00 H new ATOM 0 HB ILE A 34 3.167 -1.917 8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.319 -0.967 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.542 -2.638 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.847 0.174 8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.553 0.466 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.944 0.905 7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.153 -2.025 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.729 -2.414 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.502 -0.716 7.747 1.00 0.00 H new ATOM 533 N ASN A 35 6.023 0.426 8.628 1.00 0.00 N ATOM 534 CA ASN A 35 7.014 0.883 9.576 1.00 0.00 C ATOM 535 C ASN A 35 6.635 2.271 10.086 1.00 0.00 C ATOM 536 O ASN A 35 6.801 3.265 9.384 1.00 0.00 O ATOM 537 CB ASN A 35 8.373 0.865 8.871 1.00 0.00 C ATOM 538 CG ASN A 35 9.529 0.880 9.859 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.502 1.591 10.857 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.556 0.085 9.574 1.00 0.00 N ATOM 0 H ASN A 35 5.633 1.163 8.041 1.00 0.00 H new ATOM 0 HA ASN A 35 7.066 0.234 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.444 -0.024 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.450 1.729 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.363 0.051 10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.537 -0.491 8.732 1.00 0.00 H new ATOM 547 N ALA A 36 6.121 2.315 11.317 1.00 0.00 N ATOM 548 CA ALA A 36 5.660 3.540 11.944 1.00 0.00 C ATOM 549 C ALA A 36 5.782 3.432 13.463 1.00 0.00 C ATOM 550 O ALA A 36 5.822 2.324 14.000 1.00 0.00 O ATOM 551 CB ALA A 36 4.194 3.748 11.559 1.00 0.00 C ATOM 0 H ALA A 36 6.015 1.489 11.906 1.00 0.00 H new ATOM 0 HA ALA A 36 6.266 4.382 11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.824 4.664 12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.110 3.826 10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.602 2.902 11.908 1.00 0.00 H new ATOM 557 N PRO A 37 5.844 4.569 14.165 1.00 0.00 N ATOM 558 CA PRO A 37 5.859 4.618 15.619 1.00 0.00 C ATOM 559 C PRO A 37 4.531 4.136 16.197 1.00 0.00 C ATOM 560 O PRO A 37 3.490 4.272 15.556 1.00 0.00 O ATOM 561 CB PRO A 37 6.092 6.089 15.964 1.00 0.00 C ATOM 562 CG PRO A 37 5.613 6.857 14.736 1.00 0.00 C ATOM 563 CD PRO A 37 5.900 5.899 13.590 1.00 0.00 C ATOM 0 HA PRO A 37 6.629 3.970 16.037 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.535 6.380 16.855 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.145 6.286 16.168 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.552 7.099 14.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.148 7.799 14.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.165 6.012 12.793 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.879 6.095 13.152 1.00 0.00 H new ATOM 571 N LYS A 38 4.544 3.573 17.411 1.00 0.00 N ATOM 572 CA LYS A 38 3.312 3.173 18.088 1.00 0.00 C ATOM 573 C LYS A 38 2.442 4.391 18.410 1.00 0.00 C ATOM 574 O LYS A 38 1.314 4.230 18.878 1.00 0.00 O ATOM 575 CB LYS A 38 3.630 2.400 19.376 1.00 0.00 C ATOM 576 CG LYS A 38 4.239 1.014 19.131 1.00 0.00 C ATOM 577 CD LYS A 38 3.307 0.109 18.320 1.00 0.00 C ATOM 578 CE LYS A 38 3.506 -1.358 18.701 1.00 0.00 C ATOM 579 NZ LYS A 38 3.036 -1.632 20.070 1.00 0.00 N ATOM 0 H LYS A 38 5.395 3.386 17.941 1.00 0.00 H new ATOM 0 HA LYS A 38 2.757 2.521 17.413 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.320 2.988 19.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.714 2.287 19.956 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.187 1.123 18.603 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.460 0.541 20.088 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.270 0.397 18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.500 0.242 17.255 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.968 -1.993 17.997 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.562 -1.615 18.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.785 -2.638 20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.791 -1.404 20.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.200 -1.048 20.273 1.00 0.00 H new ATOM 593 N ASP A 39 2.957 5.597 18.162 1.00 0.00 N ATOM 594 CA ASP A 39 2.206 6.836 18.300 1.00 0.00 C ATOM 595 C ASP A 39 1.088 6.906 17.254 1.00 0.00 C ATOM 596 O ASP A 39 0.258 7.813 17.285 1.00 0.00 O ATOM 597 CB ASP A 39 3.151 8.024 18.127 1.00 0.00 C ATOM 598 CG ASP A 39 4.122 8.131 19.300 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.729 8.739 20.318 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.249 7.603 19.169 1.00 0.00 O ATOM 0 H ASP A 39 3.920 5.737 17.856 1.00 0.00 H new ATOM 0 HA ASP A 39 1.755 6.867 19.292 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.710 7.915 17.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.572 8.944 18.045 1.00 0.00 H new ATOM 605 N VAL A 40 1.070 5.944 16.324 1.00 0.00 N ATOM 606 CA VAL A 40 0.036 5.803 15.315 1.00 0.00 C ATOM 607 C VAL A 40 -0.334 4.328 15.224 1.00 0.00 C ATOM 608 O VAL A 40 0.385 3.475 15.747 1.00 0.00 O ATOM 609 CB VAL A 40 0.510 6.370 13.967 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.980 7.818 14.111 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.677 5.571 13.387 1.00 0.00 C ATOM 0 H VAL A 40 1.795 5.230 16.258 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.850 6.375 15.590 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.350 6.308 13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.309 8.192 13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.158 8.433 14.477 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.809 7.863 14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.979 6.007 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.517 5.598 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.368 4.537 13.231 1.00 0.00 H new ATOM 621 N ALA A 41 -1.446 4.003 14.561 1.00 0.00 N ATOM 622 CA ALA A 41 -1.931 2.635 14.537 1.00 0.00 C ATOM 623 C ALA A 41 -2.064 2.129 13.106 1.00 0.00 C ATOM 624 O ALA A 41 -2.238 2.929 12.187 1.00 0.00 O ATOM 625 CB ALA A 41 -3.269 2.578 15.277 1.00 0.00 C ATOM 0 H ALA A 41 -2.018 4.667 14.040 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.216 1.982 15.037 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.647 1.556 15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.129 2.904 16.308 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.986 3.234 14.784 1.00 0.00 H new ATOM 631 N VAL A 42 -1.981 0.806 12.923 1.00 0.00 N ATOM 632 CA VAL A 42 -2.046 0.193 11.599 1.00 0.00 C ATOM 633 C VAL A 42 -2.771 -1.146 11.678 1.00 0.00 C ATOM 634 O VAL A 42 -2.380 -2.015 12.458 1.00 0.00 O ATOM 635 CB VAL A 42 -0.623 0.013 11.027 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.199 1.299 11.139 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.187 -1.058 11.755 1.00 0.00 C ATOM 0 H VAL A 42 -1.868 0.138 13.685 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.604 0.848 10.930 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.788 -0.275 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.194 1.132 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.295 2.096 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.285 1.586 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.177 -1.135 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.287 -0.787 12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.324 -2.018 11.675 1.00 0.00 H new ATOM 647 N HIS A 43 -3.830 -1.336 10.880 1.00 0.00 N ATOM 648 CA HIS A 43 -4.538 -2.616 10.838 1.00 0.00 C ATOM 649 C HIS A 43 -5.295 -2.771 9.524 1.00 0.00 C ATOM 650 O HIS A 43 -5.569 -1.785 8.840 1.00 0.00 O ATOM 651 CB HIS A 43 -5.560 -2.741 11.982 1.00 0.00 C ATOM 652 CG HIS A 43 -5.232 -1.966 13.233 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.512 -2.459 14.322 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.596 -0.671 13.476 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.453 -1.442 15.196 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.092 -0.358 14.718 1.00 0.00 N ATOM 0 H HIS A 43 -4.211 -0.622 10.259 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.779 -3.392 10.939 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.532 -2.411 11.615 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.659 -3.794 12.244 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.115 -3.392 14.431 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.165 -0.024 12.825 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.959 -1.487 16.155 1.00 0.00 H new ATOM 664 N ARG A 44 -5.629 -4.015 9.171 1.00 0.00 N ATOM 665 CA ARG A 44 -6.487 -4.290 8.028 1.00 0.00 C ATOM 666 C ARG A 44 -7.868 -3.705 8.314 1.00 0.00 C ATOM 667 O ARG A 44 -8.269 -3.612 9.473 1.00 0.00 O ATOM 668 CB ARG A 44 -6.504 -5.802 7.773 1.00 0.00 C ATOM 669 CG ARG A 44 -7.298 -6.162 6.519 1.00 0.00 C ATOM 670 CD ARG A 44 -7.063 -7.630 6.151 1.00 0.00 C ATOM 671 NE ARG A 44 -7.440 -8.530 7.248 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.671 -9.007 7.444 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.668 -8.701 6.618 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.922 -9.802 8.477 1.00 0.00 N ATOM 0 H ARG A 44 -5.313 -4.848 9.667 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.118 -3.822 7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.481 -6.164 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.937 -6.310 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.360 -5.987 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.998 -5.519 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.640 -7.879 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.012 -7.779 5.902 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.712 -8.810 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.499 -8.092 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.602 -9.076 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.173 -10.050 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.864 -10.165 8.624 1.00 0.00 H new ATOM 688 N GLU A 45 -8.595 -3.313 7.266 1.00 0.00 N ATOM 689 CA GLU A 45 -9.852 -2.593 7.414 1.00 0.00 C ATOM 690 C GLU A 45 -10.874 -3.361 8.256 1.00 0.00 C ATOM 691 O GLU A 45 -11.702 -2.751 8.927 1.00 0.00 O ATOM 692 CB GLU A 45 -10.386 -2.280 6.014 1.00 0.00 C ATOM 693 CG GLU A 45 -11.440 -1.170 6.025 1.00 0.00 C ATOM 694 CD GLU A 45 -12.813 -1.639 6.500 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.217 -2.755 6.104 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.445 -0.870 7.261 1.00 0.00 O ATOM 0 H GLU A 45 -8.327 -3.487 6.297 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.673 -1.667 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.558 -1.984 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.818 -3.183 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.098 -0.361 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.533 -0.758 5.020 1.00 0.00 H new ATOM 703 N GLU A 46 -10.828 -4.694 8.234 1.00 0.00 N ATOM 704 CA GLU A 46 -11.729 -5.503 9.047 1.00 0.00 C ATOM 705 C GLU A 46 -11.376 -5.396 10.527 1.00 0.00 C ATOM 706 O GLU A 46 -12.264 -5.303 11.376 1.00 0.00 O ATOM 707 CB GLU A 46 -11.632 -6.961 8.602 1.00 0.00 C ATOM 708 CG GLU A 46 -12.690 -7.810 9.304 1.00 0.00 C ATOM 709 CD GLU A 46 -12.752 -9.226 8.735 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.690 -9.732 8.314 1.00 0.00 O ATOM 711 OE2 GLU A 46 -13.866 -9.794 8.723 1.00 0.00 O ATOM 0 H GLU A 46 -10.177 -5.233 7.663 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.746 -5.136 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.764 -7.027 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.639 -7.350 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.469 -7.856 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.665 -7.334 9.201 1.00 0.00 H new ATOM 718 N ILE A 47 -10.078 -5.407 10.841 1.00 0.00 N ATOM 719 CA ILE A 47 -9.606 -5.371 12.220 1.00 0.00 C ATOM 720 C ILE A 47 -9.807 -3.979 12.800 1.00 0.00 C ATOM 721 O ILE A 47 -9.957 -3.814 14.007 1.00 0.00 O ATOM 722 CB ILE A 47 -8.119 -5.756 12.262 1.00 0.00 C ATOM 723 CG1 ILE A 47 -7.838 -7.023 11.444 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.664 -5.961 13.706 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.799 -8.167 11.767 1.00 0.00 C ATOM 0 H ILE A 47 -9.331 -5.441 10.147 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.175 -6.083 12.818 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.556 -4.935 11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.907 -6.786 10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.815 -7.351 11.631 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.609 -6.233 13.720 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.808 -5.038 14.267 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.250 -6.758 14.163 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.550 -9.035 11.157 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.713 -8.428 12.822 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.821 -7.855 11.553 1.00 0.00 H new ATOM 737 N TYR A 48 -9.811 -2.970 11.927 1.00 0.00 N ATOM 738 CA TYR A 48 -9.999 -1.585 12.307 1.00 0.00 C ATOM 739 C TYR A 48 -11.377 -1.376 12.931 1.00 0.00 C ATOM 740 O TYR A 48 -11.529 -0.567 13.841 1.00 0.00 O ATOM 741 CB TYR A 48 -9.829 -0.759 11.030 1.00 0.00 C ATOM 742 CG TYR A 48 -10.008 0.729 11.177 1.00 0.00 C ATOM 743 CD1 TYR A 48 -9.029 1.499 11.822 1.00 0.00 C ATOM 744 CD2 TYR A 48 -11.156 1.339 10.651 1.00 0.00 C ATOM 745 CE1 TYR A 48 -9.172 2.889 11.903 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.295 2.729 10.709 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.302 3.514 11.331 1.00 0.00 C ATOM 748 OH TYR A 48 -10.443 4.870 11.378 1.00 0.00 O ATOM 0 H TYR A 48 -9.681 -3.103 10.924 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.274 -1.279 13.061 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.833 -0.947 10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.544 -1.119 10.290 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.164 1.019 12.256 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.931 0.736 10.202 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.420 3.482 12.402 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.164 3.202 10.277 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.932 5.226 12.135 1.00 0.00 H new ATOM 1601 N MET C 1 8.877 -3.204 12.122 1.00 0.00 N ATOM 1602 CA MET C 1 7.944 -3.487 11.014 1.00 0.00 C ATOM 1603 C MET C 1 6.659 -4.120 11.518 1.00 0.00 C ATOM 1604 O MET C 1 6.619 -4.671 12.614 1.00 0.00 O ATOM 1605 CB MET C 1 8.535 -4.486 10.026 1.00 0.00 C ATOM 1606 CG MET C 1 9.724 -3.949 9.235 1.00 0.00 C ATOM 1607 SD MET C 1 9.262 -2.876 7.863 1.00 0.00 S ATOM 1608 CE MET C 1 8.458 -4.166 6.887 1.00 0.00 C ATOM 0 H1 MET C 1 9.064 -2.182 12.166 1.00 0.00 H new ATOM 0 H2 MET C 1 8.456 -3.518 13.019 1.00 0.00 H new ATOM 0 H3 MET C 1 9.770 -3.712 11.962 1.00 0.00 H new ATOM 0 HA MET C 1 7.754 -2.524 10.539 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.847 -5.378 10.570 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.757 -4.794 9.328 1.00 0.00 H new ATOM 0 HG2 MET C 1 10.378 -3.398 9.910 1.00 0.00 H new ATOM 0 HG3 MET C 1 10.300 -4.789 8.848 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.523 -3.915 5.828 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.955 -5.120 7.065 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.410 -4.243 7.178 1.00 0.00 H new ATOM 1620 N LEU C 2 5.611 -4.034 10.698 1.00 0.00 N ATOM 1621 CA LEU C 2 4.371 -4.763 10.896 1.00 0.00 C ATOM 1622 C LEU C 2 3.984 -5.326 9.531 1.00 0.00 C ATOM 1623 O LEU C 2 3.657 -4.573 8.615 1.00 0.00 O ATOM 1624 CB LEU C 2 3.333 -3.812 11.509 1.00 0.00 C ATOM 1625 CG LEU C 2 2.001 -4.456 11.905 1.00 0.00 C ATOM 1626 CD1 LEU C 2 1.048 -4.561 10.719 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.177 -5.850 12.505 1.00 0.00 C ATOM 0 H LEU C 2 5.606 -3.444 9.866 1.00 0.00 H new ATOM 0 HA LEU C 2 4.455 -5.596 11.594 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.769 -3.348 12.393 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.132 -3.013 10.796 1.00 0.00 H new ATOM 0 HG LEU C 2 1.577 -3.796 12.662 1.00 0.00 H new ATOM 0 HD11 LEU C 2 0.115 -5.023 11.042 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.843 -3.565 10.328 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.504 -5.171 9.939 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.201 -6.259 12.767 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.660 -6.501 11.776 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.796 -5.785 13.400 1.00 0.00 H new ATOM 1639 N ILE C 3 4.021 -6.654 9.400 1.00 0.00 N ATOM 1640 CA ILE C 3 3.803 -7.336 8.136 1.00 0.00 C ATOM 1641 C ILE C 3 2.499 -8.117 8.200 1.00 0.00 C ATOM 1642 O ILE C 3 2.151 -8.679 9.238 1.00 0.00 O ATOM 1643 CB ILE C 3 4.948 -8.319 7.842 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.299 -7.620 7.674 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.660 -9.079 6.547 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.975 -7.412 9.022 1.00 0.00 C ATOM 0 H ILE C 3 4.205 -7.286 10.179 1.00 0.00 H new ATOM 0 HA ILE C 3 3.762 -6.587 7.345 1.00 0.00 H new ATOM 0 HB ILE C 3 5.004 -8.990 8.699 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.943 -8.216 7.028 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.156 -6.658 7.182 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.475 -9.774 6.344 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.727 -9.634 6.650 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.572 -8.372 5.722 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.933 -6.914 8.875 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.339 -6.796 9.657 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.138 -8.378 9.500 1.00 0.00 H new ATOM 1658 N LEU C 4 1.776 -8.147 7.078 1.00 0.00 N ATOM 1659 CA LEU C 4 0.562 -8.933 6.942 1.00 0.00 C ATOM 1660 C LEU C 4 0.237 -9.147 5.465 1.00 0.00 C ATOM 1661 O LEU C 4 0.883 -8.560 4.596 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.587 -8.264 7.717 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.637 -6.735 7.643 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.026 -6.242 6.252 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.678 -6.241 8.644 1.00 0.00 C ATOM 0 H LEU C 4 2.023 -7.622 6.239 1.00 0.00 H new ATOM 0 HA LEU C 4 0.708 -9.921 7.379 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.531 -8.658 7.342 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.513 -8.556 8.764 1.00 0.00 H new ATOM 0 HG LEU C 4 0.356 -6.349 7.871 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.049 -5.152 6.245 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.295 -6.594 5.524 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.012 -6.627 5.992 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.730 -5.153 8.608 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.652 -6.659 8.392 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.396 -6.557 9.648 1.00 0.00 H new ATOM 1677 N THR C 5 -0.763 -9.984 5.181 1.00 0.00 N ATOM 1678 CA THR C 5 -1.204 -10.237 3.813 1.00 0.00 C ATOM 1679 C THR C 5 -2.557 -9.603 3.568 1.00 0.00 C ATOM 1680 O THR C 5 -3.349 -9.382 4.487 1.00 0.00 O ATOM 1681 CB THR C 5 -1.361 -11.733 3.519 1.00 0.00 C ATOM 1682 OG1 THR C 5 -1.965 -12.381 4.611 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.049 -12.428 3.176 1.00 0.00 C ATOM 0 H THR C 5 -1.285 -10.501 5.889 1.00 0.00 H new ATOM 0 HA THR C 5 -0.436 -9.812 3.167 1.00 0.00 H new ATOM 0 HB THR C 5 -1.996 -11.803 2.636 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.062 -13.336 4.412 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.237 -13.484 2.980 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.386 -11.966 2.290 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.643 -12.332 4.012 1.00 0.00 H new ATOM 1691 N ARG C 6 -2.802 -9.310 2.295 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.085 -8.864 1.785 1.00 0.00 C ATOM 1693 C ARG C 6 -4.225 -9.342 0.357 1.00 0.00 C ATOM 1694 O ARG C 6 -3.328 -10.008 -0.148 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.168 -7.344 1.842 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.274 -6.980 2.824 1.00 0.00 C ATOM 1697 CD ARG C 6 -5.301 -5.475 2.992 1.00 0.00 C ATOM 1698 NE ARG C 6 -5.483 -4.790 1.710 1.00 0.00 N ATOM 1699 CZ ARG C 6 -4.753 -3.734 1.331 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -3.598 -3.443 1.914 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -5.175 -2.953 0.352 1.00 0.00 N ATOM 0 H ARG C 6 -2.088 -9.380 1.570 1.00 0.00 H new ATOM 0 HA ARG C 6 -4.892 -9.274 2.393 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.216 -6.920 2.163 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -4.382 -6.935 0.855 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.237 -7.336 2.457 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -5.100 -7.464 3.785 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.109 -5.199 3.670 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -4.371 -5.143 3.453 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.202 -5.135 1.074 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -3.246 -4.030 2.670 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -3.061 -2.632 1.606 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -6.058 -3.154 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -4.617 -2.149 0.065 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.336 -9.006 -0.294 1.00 0.00 N ATOM 1716 CA LYS C 7 -5.500 -9.345 -1.698 1.00 0.00 C ATOM 1717 C LYS C 7 -6.285 -8.279 -2.446 1.00 0.00 C ATOM 1718 O LYS C 7 -6.870 -7.400 -1.818 1.00 0.00 O ATOM 1719 CB LYS C 7 -6.171 -10.705 -1.869 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.560 -10.745 -1.228 1.00 0.00 C ATOM 1721 CD LYS C 7 -8.375 -11.851 -1.908 1.00 0.00 C ATOM 1722 CE LYS C 7 -7.719 -13.215 -1.688 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.499 -14.297 -2.314 1.00 0.00 N ATOM 0 H LYS C 7 -6.122 -8.507 0.123 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.499 -9.396 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -6.255 -10.936 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -5.544 -11.477 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.479 -10.937 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -8.058 -9.782 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -9.389 -11.861 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -8.454 -11.648 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.711 -13.206 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -7.623 -13.406 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -8.026 -15.208 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -9.453 -14.321 -1.901 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.569 -14.127 -3.338 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.298 -8.351 -3.782 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.880 -7.283 -4.591 1.00 0.00 C ATOM 1739 C VAL C 8 -8.315 -6.968 -4.164 1.00 0.00 C ATOM 1740 O VAL C 8 -9.160 -7.858 -4.076 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.757 -7.571 -6.090 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.291 -7.846 -6.431 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.590 -8.754 -6.567 1.00 0.00 C ATOM 0 H VAL C 8 -5.916 -9.130 -4.318 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.299 -6.380 -4.406 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.138 -6.686 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.198 -8.052 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.688 -6.974 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.941 -8.708 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.447 -8.891 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.276 -9.656 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.644 -8.563 -6.363 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.575 -5.683 -3.906 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.892 -5.184 -3.522 1.00 0.00 C ATOM 1755 C GLY C 9 -10.008 -4.869 -2.025 1.00 0.00 C ATOM 1756 O GLY C 9 -10.940 -4.171 -1.621 1.00 0.00 O ATOM 0 H GLY C 9 -7.865 -4.953 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.113 -4.283 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.646 -5.924 -3.790 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.083 -5.370 -1.202 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.114 -5.151 0.243 1.00 0.00 C ATOM 1762 C GLU C 10 -8.506 -3.796 0.625 1.00 0.00 C ATOM 1763 O GLU C 10 -8.033 -3.051 -0.237 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.359 -6.290 0.934 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.080 -7.630 0.769 1.00 0.00 C ATOM 1766 CD GLU C 10 -10.434 -7.620 1.470 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -10.439 -7.580 2.721 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -11.460 -7.656 0.750 1.00 0.00 O ATOM 0 H GLU C 10 -8.296 -5.936 -1.519 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.153 -5.140 0.572 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.354 -6.364 0.519 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.250 -6.064 1.995 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.218 -7.843 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -8.463 -8.430 1.177 1.00 0.00 H new ATOM 1775 N SER C 11 -8.517 -3.469 1.923 1.00 0.00 N ATOM 1776 CA SER C 11 -8.027 -2.181 2.407 1.00 0.00 C ATOM 1777 C SER C 11 -7.339 -2.297 3.769 1.00 0.00 C ATOM 1778 O SER C 11 -7.470 -3.300 4.468 1.00 0.00 O ATOM 1779 CB SER C 11 -9.198 -1.202 2.522 1.00 0.00 C ATOM 1780 OG SER C 11 -9.801 -0.996 1.263 1.00 0.00 O ATOM 0 H SER C 11 -8.863 -4.086 2.658 1.00 0.00 H new ATOM 0 HA SER C 11 -7.290 -1.821 1.689 1.00 0.00 H new ATOM 0 HB2 SER C 11 -9.935 -1.590 3.225 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.846 -0.251 2.922 1.00 0.00 H new ATOM 0 HG SER C 11 -10.548 -0.369 1.357 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.600 -1.247 4.133 1.00 0.00 N ATOM 1787 CA ILE C 12 -5.882 -1.104 5.400 1.00 0.00 C ATOM 1788 C ILE C 12 -6.079 0.325 5.902 1.00 0.00 C ATOM 1789 O ILE C 12 -6.476 1.196 5.129 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.390 -1.434 5.181 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.239 -2.944 4.991 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.480 -0.956 6.317 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -2.789 -3.381 4.779 1.00 0.00 C ATOM 0 H ILE C 12 -6.481 -0.437 3.525 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.266 -1.794 6.151 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.069 -0.893 4.291 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.642 -3.456 5.865 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.835 -3.258 4.134 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.447 -1.223 6.093 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.561 0.126 6.417 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -3.783 -1.431 7.250 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -2.750 -4.463 4.651 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.389 -2.895 3.889 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.193 -3.097 5.646 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.811 0.581 7.185 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.967 1.904 7.768 1.00 0.00 C ATOM 1807 C ASN C 13 -4.718 2.273 8.569 1.00 0.00 C ATOM 1808 O ASN C 13 -4.081 1.397 9.153 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.218 1.912 8.649 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.698 3.329 8.912 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -7.162 4.038 9.757 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.726 3.747 8.177 1.00 0.00 N ATOM 0 H ASN C 13 -5.481 -0.125 7.843 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.087 2.650 6.982 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -8.010 1.341 8.165 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.002 1.417 9.596 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.096 4.689 8.307 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.144 3.126 7.484 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.376 3.566 8.592 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.169 4.055 9.247 1.00 0.00 C ATOM 1821 C ILE C 14 -3.426 5.415 9.894 1.00 0.00 C ATOM 1822 O ILE C 14 -4.128 6.257 9.335 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.030 4.180 8.224 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.738 2.813 7.579 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.770 4.728 8.904 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.609 2.888 6.547 1.00 0.00 C ATOM 0 H ILE C 14 -4.933 4.300 8.155 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.884 3.343 10.021 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.336 4.874 7.441 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.470 2.097 8.356 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.642 2.439 7.099 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.032 4.813 8.170 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.982 5.711 9.325 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.463 4.051 9.701 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.440 1.899 6.120 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.886 3.583 5.754 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.304 3.235 7.031 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.846 5.628 11.080 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.855 6.914 11.768 1.00 0.00 C ATOM 1840 C GLY C 15 -4.248 7.485 12.016 1.00 0.00 C ATOM 1841 O GLY C 15 -4.368 8.661 12.352 1.00 0.00 O ATOM 0 H GLY C 15 -2.351 4.898 11.593 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.345 6.804 12.725 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.281 7.631 11.181 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.298 6.675 11.857 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.685 7.085 12.031 1.00 0.00 C ATOM 1847 C ASP C 16 -7.093 8.280 11.152 1.00 0.00 C ATOM 1848 O ASP C 16 -8.149 8.874 11.368 1.00 0.00 O ATOM 1849 CB ASP C 16 -6.954 7.319 13.522 1.00 0.00 C ATOM 1850 CG ASP C 16 -8.449 7.458 13.814 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -9.220 6.631 13.276 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -8.802 8.389 14.574 1.00 0.00 O ATOM 0 H ASP C 16 -5.200 5.693 11.598 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.324 6.275 11.679 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.546 6.489 14.100 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -6.435 8.220 13.848 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.270 8.645 10.159 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.598 9.698 9.202 1.00 0.00 C ATOM 1859 C ASP C 17 -6.154 9.298 7.796 1.00 0.00 C ATOM 1860 O ASP C 17 -6.250 10.103 6.872 1.00 0.00 O ATOM 1861 CB ASP C 17 -5.953 11.038 9.581 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.414 11.551 10.948 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -7.595 11.950 11.048 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.580 11.546 11.884 1.00 0.00 O ATOM 0 H ASP C 17 -5.359 8.215 10.001 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.680 9.825 9.223 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.869 10.926 9.587 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.193 11.780 8.819 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.672 8.063 7.628 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.216 7.565 6.342 1.00 0.00 C ATOM 1871 C ILE C 18 -5.796 6.179 6.105 1.00 0.00 C ATOM 1872 O ILE C 18 -6.019 5.413 7.042 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.677 7.521 6.284 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.046 8.896 6.543 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.213 7.017 4.914 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.690 9.059 8.021 1.00 0.00 C ATOM 0 H ILE C 18 -5.590 7.385 8.386 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.560 8.241 5.559 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.351 6.840 7.071 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.150 9.011 5.933 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.739 9.682 6.242 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.124 6.991 4.886 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.605 6.014 4.743 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.580 7.687 4.136 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.244 10.041 8.182 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.593 8.967 8.625 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -1.979 8.286 8.311 1.00 0.00 H new ATOM 1888 N THR C 19 -6.036 5.858 4.835 1.00 0.00 N ATOM 1889 CA THR C 19 -6.549 4.565 4.421 1.00 0.00 C ATOM 1890 C THR C 19 -5.786 4.133 3.176 1.00 0.00 C ATOM 1891 O THR C 19 -5.307 4.975 2.416 1.00 0.00 O ATOM 1892 CB THR C 19 -8.053 4.666 4.147 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.693 5.377 5.188 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.693 3.283 4.063 1.00 0.00 C ATOM 0 H THR C 19 -5.876 6.501 4.059 1.00 0.00 H new ATOM 0 HA THR C 19 -6.409 3.822 5.206 1.00 0.00 H new ATOM 0 HB THR C 19 -8.174 5.185 3.196 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.653 5.436 5.001 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.760 3.387 3.868 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.230 2.716 3.255 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.546 2.756 5.006 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.673 2.824 2.968 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.917 2.251 1.869 1.00 0.00 C ATOM 1904 C ILE C 20 -5.781 1.194 1.196 1.00 0.00 C ATOM 1905 O ILE C 20 -6.595 0.552 1.856 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.629 1.618 2.424 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.776 2.605 3.232 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.791 1.015 1.288 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.199 3.724 2.365 1.00 0.00 C ATOM 0 H ILE C 20 -6.112 2.126 3.569 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.646 3.017 1.142 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.944 0.830 3.108 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.383 3.041 4.025 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.961 2.066 3.714 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.884 0.572 1.700 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.370 0.246 0.777 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.522 1.798 0.579 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.604 4.395 2.985 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.568 3.293 1.587 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.013 4.283 1.904 1.00 0.00 H new ATOM 1921 N THR C 21 -5.604 1.010 -0.114 1.00 0.00 N ATOM 1922 CA THR C 21 -6.389 0.051 -0.881 1.00 0.00 C ATOM 1923 C THR C 21 -5.494 -0.618 -1.914 1.00 0.00 C ATOM 1924 O THR C 21 -4.518 -0.028 -2.374 1.00 0.00 O ATOM 1925 CB THR C 21 -7.565 0.771 -1.553 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.243 1.570 -0.611 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.567 -0.229 -2.129 1.00 0.00 C ATOM 0 H THR C 21 -4.915 1.520 -0.667 1.00 0.00 H new ATOM 0 HA THR C 21 -6.791 -0.717 -0.221 1.00 0.00 H new ATOM 0 HB THR C 21 -7.157 1.384 -2.357 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.991 2.027 -1.048 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.390 0.310 -2.599 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.071 -0.854 -2.872 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.956 -0.857 -1.328 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.823 -1.858 -2.278 1.00 0.00 N ATOM 1936 CA ILE C 22 -5.055 -2.642 -3.238 1.00 0.00 C ATOM 1937 C ILE C 22 -5.903 -2.808 -4.495 1.00 0.00 C ATOM 1938 O ILE C 22 -6.629 -3.788 -4.648 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.593 -3.959 -2.589 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.869 -4.909 -3.540 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.737 -4.760 -1.981 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.745 -4.213 -4.291 1.00 0.00 C ATOM 0 H ILE C 22 -6.638 -2.348 -1.910 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.135 -2.140 -3.539 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.905 -3.610 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.463 -5.748 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.582 -5.321 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.345 -5.677 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.227 -4.166 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.459 -5.011 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.257 -4.925 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.154 -3.390 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.017 -3.824 -3.578 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.809 -1.834 -5.403 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.718 -1.759 -6.539 1.00 0.00 C ATOM 1956 C LEU C 23 -6.538 -2.945 -7.482 1.00 0.00 C ATOM 1957 O LEU C 23 -7.468 -3.299 -8.206 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.529 -0.440 -7.297 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.557 0.794 -6.388 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.656 2.044 -7.250 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.749 0.823 -5.440 1.00 0.00 C ATOM 0 H LEU C 23 -5.112 -1.090 -5.370 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.735 -1.796 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.578 -0.468 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.313 -0.346 -8.049 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.643 0.755 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.676 2.926 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.793 2.097 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.569 2.005 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.705 1.723 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.673 0.822 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.723 -0.056 -4.796 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.353 -3.567 -7.483 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.140 -4.772 -8.270 1.00 0.00 C ATOM 1975 C GLY C 24 -3.664 -5.051 -8.521 1.00 0.00 C ATOM 1976 O GLY C 24 -2.799 -4.336 -8.019 1.00 0.00 O ATOM 0 H GLY C 24 -4.540 -3.255 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.585 -5.623 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.656 -4.674 -9.225 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.378 -6.096 -9.301 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.013 -6.422 -9.695 1.00 0.00 C ATOM 1982 C VAL C 25 -1.901 -6.564 -11.208 1.00 0.00 C ATOM 1983 O VAL C 25 -2.903 -6.710 -11.908 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.517 -7.710 -9.024 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -1.686 -7.655 -7.506 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.250 -8.929 -9.585 1.00 0.00 C ATOM 0 H VAL C 25 -4.083 -6.733 -9.673 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.384 -5.596 -9.362 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.453 -7.801 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.324 -8.584 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.114 -6.817 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.740 -7.524 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -1.883 -9.831 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.320 -8.826 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.071 -9.000 -10.658 1.00 0.00 H new ATOM 1996 N SER C 26 -0.661 -6.524 -11.692 1.00 0.00 N ATOM 1997 CA SER C 26 -0.307 -6.691 -13.091 1.00 0.00 C ATOM 1998 C SER C 26 1.090 -7.295 -13.119 1.00 0.00 C ATOM 1999 O SER C 26 2.074 -6.611 -13.397 1.00 0.00 O ATOM 2000 CB SER C 26 -0.334 -5.348 -13.815 1.00 0.00 C ATOM 2001 OG SER C 26 -1.615 -4.757 -13.737 1.00 0.00 O ATOM 0 H SER C 26 0.151 -6.368 -11.095 1.00 0.00 H new ATOM 0 HA SER C 26 -1.019 -7.340 -13.601 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.406 -4.679 -13.376 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.057 -5.488 -14.860 1.00 0.00 H new ATOM 0 HG SER C 26 -1.608 -3.897 -14.206 1.00 0.00 H new ATOM 2007 N GLY C 27 1.180 -8.593 -12.823 1.00 0.00 N ATOM 2008 CA GLY C 27 2.472 -9.243 -12.698 1.00 0.00 C ATOM 2009 C GLY C 27 3.097 -8.783 -11.389 1.00 0.00 C ATOM 2010 O GLY C 27 2.392 -8.638 -10.392 1.00 0.00 O ATOM 0 H GLY C 27 0.378 -9.204 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.357 -10.327 -12.707 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.114 -8.984 -13.540 1.00 0.00 H new ATOM 2014 N GLN C 28 4.412 -8.549 -11.379 1.00 0.00 N ATOM 2015 CA GLN C 28 5.044 -8.013 -10.184 1.00 0.00 C ATOM 2016 C GLN C 28 4.628 -6.573 -9.917 1.00 0.00 C ATOM 2017 O GLN C 28 4.908 -6.069 -8.831 1.00 0.00 O ATOM 2018 CB GLN C 28 6.565 -8.087 -10.279 1.00 0.00 C ATOM 2019 CG GLN C 28 7.064 -9.528 -10.350 1.00 0.00 C ATOM 2020 CD GLN C 28 6.299 -10.467 -9.419 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.176 -10.218 -8.225 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.769 -11.562 -9.955 1.00 0.00 N ATOM 0 H GLN C 28 5.040 -8.718 -12.165 1.00 0.00 H new ATOM 0 HA GLN C 28 4.705 -8.633 -9.354 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.900 -7.543 -11.162 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.007 -7.593 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN C 28 6.975 -9.888 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN C 28 8.123 -9.554 -10.094 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.884 -11.749 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.247 -12.215 -9.370 1.00 0.00 H new ATOM 2031 N GLN C 29 3.969 -5.911 -10.877 1.00 0.00 N ATOM 2032 CA GLN C 29 3.498 -4.554 -10.666 1.00 0.00 C ATOM 2033 C GLN C 29 2.207 -4.622 -9.853 1.00 0.00 C ATOM 2034 O GLN C 29 1.452 -5.587 -9.965 1.00 0.00 O ATOM 2035 CB GLN C 29 3.256 -3.877 -12.015 1.00 0.00 C ATOM 2036 CG GLN C 29 3.285 -2.355 -11.873 1.00 0.00 C ATOM 2037 CD GLN C 29 4.655 -1.768 -12.187 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.257 -1.094 -11.355 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.155 -2.016 -13.397 1.00 0.00 N ATOM 0 H GLN C 29 3.756 -6.297 -11.797 1.00 0.00 H new ATOM 0 HA GLN C 29 4.240 -3.968 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.017 -4.195 -12.728 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.292 -4.191 -12.417 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.543 -1.916 -12.541 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.000 -2.082 -10.857 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.626 -2.580 -14.062 1.00 0.00 H new ATOM 0 HE22 GLN C 29 6.067 -1.642 -13.658 1.00 0.00 H new ATOM 2048 N VAL C 30 1.948 -3.605 -9.034 1.00 0.00 N ATOM 2049 CA VAL C 30 0.804 -3.597 -8.139 1.00 0.00 C ATOM 2050 C VAL C 30 0.225 -2.189 -8.102 1.00 0.00 C ATOM 2051 O VAL C 30 0.944 -1.249 -7.769 1.00 0.00 O ATOM 2052 CB VAL C 30 1.273 -4.029 -6.743 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.093 -4.144 -5.793 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.969 -5.392 -6.778 1.00 0.00 C ATOM 0 H VAL C 30 2.527 -2.767 -8.976 1.00 0.00 H new ATOM 0 HA VAL C 30 0.033 -4.287 -8.483 1.00 0.00 H new ATOM 0 HB VAL C 30 1.972 -3.266 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.447 -4.451 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.406 -3.178 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.610 -4.885 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.287 -5.664 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.277 -6.144 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.840 -5.339 -7.432 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.065 -2.035 -8.438 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.714 -0.734 -8.391 1.00 0.00 C ATOM 2066 C ARG C 31 -2.328 -0.562 -7.011 1.00 0.00 C ATOM 2067 O ARG C 31 -3.114 -1.403 -6.565 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.775 -0.601 -9.491 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.077 0.891 -9.712 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.274 1.128 -10.630 1.00 0.00 C ATOM 2071 NE ARG C 31 -4.163 0.365 -11.880 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.751 0.867 -13.048 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.388 2.139 -13.163 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.699 0.081 -14.120 1.00 0.00 N ATOM 0 H ARG C 31 -1.670 -2.798 -8.743 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.980 0.051 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.419 -1.055 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.683 -1.131 -9.205 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.266 1.364 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.198 1.375 -10.138 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.191 0.846 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.352 2.191 -10.859 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.420 -0.622 -11.855 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.420 2.754 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.077 2.501 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.973 -0.899 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.385 0.458 -15.014 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.962 0.531 -6.345 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.322 0.770 -4.958 1.00 0.00 C ATOM 2090 C ILE C 32 -3.009 2.123 -4.841 1.00 0.00 C ATOM 2091 O ILE C 32 -2.783 3.007 -5.663 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.053 0.714 -4.087 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.136 -0.433 -4.552 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.428 0.554 -2.615 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.035 -0.684 -3.602 1.00 0.00 C ATOM 0 H ILE C 32 -1.404 1.278 -6.759 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.014 0.003 -4.610 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.507 1.651 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.724 -1.346 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.251 -0.202 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.522 0.516 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.038 1.401 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.992 -0.369 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.644 -1.503 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.644 0.217 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.653 -0.945 -2.615 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.849 2.278 -3.821 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.594 3.499 -3.563 1.00 0.00 C ATOM 2109 C GLY C 33 -4.263 4.008 -2.171 1.00 0.00 C ATOM 2110 O GLY C 33 -3.922 3.224 -1.285 1.00 0.00 O ATOM 0 H GLY C 33 -4.032 1.542 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.344 4.255 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.664 3.310 -3.648 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.362 5.323 -1.982 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.098 5.966 -0.706 1.00 0.00 C ATOM 2116 C ILE C 34 -5.127 7.066 -0.530 1.00 0.00 C ATOM 2117 O ILE C 34 -5.518 7.719 -1.495 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.670 6.541 -0.683 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.645 5.450 -1.005 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.393 7.142 0.695 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.226 6.012 -1.127 1.00 0.00 C ATOM 0 H ILE C 34 -4.631 5.974 -2.720 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.172 5.248 0.111 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.584 7.319 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.668 4.690 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.921 4.957 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.383 7.551 0.717 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.111 7.937 0.896 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.488 6.367 1.456 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.467 5.203 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.196 6.753 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.062 6.481 -0.186 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.573 7.277 0.704 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.643 8.216 0.977 1.00 0.00 C ATOM 2135 C ASN C 35 -6.374 8.916 2.305 1.00 0.00 C ATOM 2136 O ASN C 35 -6.568 8.335 3.370 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.960 7.436 0.966 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.165 8.334 0.741 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.184 9.490 1.153 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.183 7.794 0.078 1.00 0.00 N ATOM 0 H ASN C 35 -5.205 6.806 1.531 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.704 8.998 0.221 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.924 6.679 0.183 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.075 6.909 1.913 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.022 8.345 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.125 6.829 -0.247 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.917 10.168 2.220 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.527 10.966 3.369 1.00 0.00 C ATOM 2149 C ALA C 36 -5.770 12.449 3.077 1.00 0.00 C ATOM 2150 O ALA C 36 -5.851 12.839 1.913 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.037 10.735 3.621 1.00 0.00 C ATOM 0 H ALA C 36 -5.808 10.658 1.332 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.112 10.679 4.243 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.718 11.324 4.481 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.861 9.678 3.820 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.468 11.038 2.742 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.882 13.283 4.118 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.986 14.725 3.980 1.00 0.00 C ATOM 2159 C PRO C 37 -4.687 15.300 3.418 1.00 0.00 C ATOM 2160 O PRO C 37 -3.615 14.746 3.653 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.251 15.242 5.396 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.714 14.148 6.317 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.914 12.871 5.510 1.00 0.00 C ATOM 0 HA PRO C 37 -6.777 15.020 3.291 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.745 16.191 5.572 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.315 15.413 5.562 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.664 14.308 6.560 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.258 14.115 7.261 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.129 12.145 5.723 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.863 12.395 5.757 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.763 16.411 2.678 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.564 17.083 2.185 1.00 0.00 C ATOM 2173 C LYS C 38 -2.731 17.628 3.350 1.00 0.00 C ATOM 2174 O LYS C 38 -1.631 18.139 3.136 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.928 18.220 1.231 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.523 17.751 -0.102 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.551 16.863 -0.887 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.789 17.003 -2.392 1.00 0.00 C ATOM 2179 NZ LYS C 38 -3.381 18.332 -2.888 1.00 0.00 N ATOM 0 H LYS C 38 -5.639 16.859 2.410 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.971 16.348 1.641 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.643 18.879 1.724 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.035 18.812 1.030 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.445 17.200 0.087 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.788 18.619 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.524 17.139 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.679 15.822 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -3.232 16.230 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -4.845 16.842 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -3.183 18.276 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -4.147 19.015 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.525 18.642 -2.386 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.246 17.521 4.580 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.522 17.882 5.792 1.00 0.00 C ATOM 2195 C ASP C 39 -1.346 16.931 6.020 1.00 0.00 C ATOM 2196 O ASP C 39 -0.531 17.146 6.917 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.477 17.825 6.985 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.523 18.935 6.910 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.198 20.060 7.351 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.634 18.656 6.410 1.00 0.00 O ATOM 0 H ASP C 39 -4.189 17.176 4.758 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.129 18.893 5.683 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.974 16.855 7.010 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.911 17.917 7.912 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.258 15.875 5.203 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.167 14.913 5.220 1.00 0.00 C ATOM 2207 C VAL C 40 0.231 14.606 3.779 1.00 0.00 C ATOM 2208 O VAL C 40 -0.476 14.982 2.844 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.564 13.642 5.987 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.065 13.980 7.391 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.679 12.866 5.291 1.00 0.00 C ATOM 0 H VAL C 40 -1.964 15.667 4.497 1.00 0.00 H new ATOM 0 HA VAL C 40 0.691 15.334 5.744 1.00 0.00 H new ATOM 0 HB VAL C 40 0.339 13.033 6.028 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.339 13.062 7.910 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.277 14.490 7.946 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.937 14.630 7.319 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.922 11.977 5.873 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.563 13.497 5.206 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.349 12.568 4.296 1.00 0.00 H new ATOM 2221 N ALA C 41 1.359 13.923 3.588 1.00 0.00 N ATOM 2222 CA ALA C 41 1.893 13.698 2.256 1.00 0.00 C ATOM 2223 C ALA C 41 2.008 12.207 1.948 1.00 0.00 C ATOM 2224 O ALA C 41 2.105 11.388 2.861 1.00 0.00 O ATOM 2225 CB ALA C 41 3.259 14.373 2.162 1.00 0.00 C ATOM 0 H ALA C 41 1.916 13.519 4.341 1.00 0.00 H new ATOM 0 HA ALA C 41 1.214 14.126 1.519 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.676 14.214 1.167 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.150 15.442 2.343 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.928 13.945 2.908 1.00 0.00 H new ATOM 2231 N VAL C 42 1.997 11.859 0.657 1.00 0.00 N ATOM 2232 CA VAL C 42 2.124 10.474 0.220 1.00 0.00 C ATOM 2233 C VAL C 42 2.920 10.424 -1.077 1.00 0.00 C ATOM 2234 O VAL C 42 2.587 11.125 -2.031 1.00 0.00 O ATOM 2235 CB VAL C 42 0.733 9.833 0.031 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.147 10.028 1.262 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.039 10.405 -1.157 1.00 0.00 C ATOM 0 H VAL C 42 1.900 12.528 -0.106 1.00 0.00 H new ATOM 0 HA VAL C 42 2.652 9.905 0.985 1.00 0.00 H new ATOM 0 HB VAL C 42 0.941 8.777 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.118 9.564 1.092 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.330 9.566 2.127 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.282 11.094 1.448 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.008 9.911 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.188 11.475 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.527 10.237 -2.073 1.00 0.00 H new ATOM 2247 N HIS C 43 3.972 9.607 -1.137 1.00 0.00 N ATOM 2248 CA HIS C 43 4.756 9.443 -2.359 1.00 0.00 C ATOM 2249 C HIS C 43 5.496 8.113 -2.313 1.00 0.00 C ATOM 2250 O HIS C 43 5.697 7.557 -1.232 1.00 0.00 O ATOM 2251 CB HIS C 43 5.807 10.550 -2.506 1.00 0.00 C ATOM 2252 CG HIS C 43 5.363 11.929 -2.092 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.734 12.853 -2.929 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.516 12.474 -0.848 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.516 13.934 -2.158 1.00 0.00 C ATOM 2256 NE2 HIS C 43 4.975 13.734 -0.911 1.00 0.00 N ATOM 0 H HIS C 43 4.301 9.047 -0.350 1.00 0.00 H new ATOM 0 HA HIS C 43 4.064 9.486 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.681 10.277 -1.915 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.125 10.588 -3.548 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.492 12.734 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS C 43 5.972 12.007 0.013 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.036 14.841 -2.496 1.00 0.00 H new ATOM 2264 N ARG C 44 5.908 7.591 -3.475 1.00 0.00 N ATOM 2265 CA ARG C 44 6.749 6.402 -3.477 1.00 0.00 C ATOM 2266 C ARG C 44 8.141 6.773 -2.971 1.00 0.00 C ATOM 2267 O ARG C 44 8.513 7.944 -2.983 1.00 0.00 O ATOM 2268 CB ARG C 44 6.770 5.721 -4.846 1.00 0.00 C ATOM 2269 CG ARG C 44 7.484 6.526 -5.934 1.00 0.00 C ATOM 2270 CD ARG C 44 7.591 5.641 -7.178 1.00 0.00 C ATOM 2271 NE ARG C 44 8.348 6.284 -8.256 1.00 0.00 N ATOM 2272 CZ ARG C 44 7.795 6.966 -9.262 1.00 0.00 C ATOM 2273 NH1 ARG C 44 6.480 7.148 -9.313 1.00 0.00 N ATOM 2274 NH2 ARG C 44 8.564 7.466 -10.220 1.00 0.00 N ATOM 0 H ARG C 44 5.678 7.964 -4.396 1.00 0.00 H new ATOM 0 HA ARG C 44 6.329 5.660 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.256 4.750 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG C 44 5.744 5.534 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG C 44 6.930 7.437 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG C 44 8.474 6.831 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG C 44 8.072 4.700 -6.911 1.00 0.00 H new ATOM 0 HD3 ARG C 44 6.590 5.398 -7.535 1.00 0.00 H new ATOM 0 HE ARG C 44 9.365 6.205 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG C 44 5.883 6.765 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG C 44 6.067 7.670 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG C 44 9.574 7.329 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.145 7.988 -10.990 1.00 0.00 H new ATOM 2288 N GLU C 45 8.913 5.778 -2.532 1.00 0.00 N ATOM 2289 CA GLU C 45 10.222 5.983 -1.923 1.00 0.00 C ATOM 2290 C GLU C 45 11.181 6.755 -2.834 1.00 0.00 C ATOM 2291 O GLU C 45 12.126 7.375 -2.348 1.00 0.00 O ATOM 2292 CB GLU C 45 10.766 4.610 -1.513 1.00 0.00 C ATOM 2293 CG GLU C 45 12.055 4.674 -0.688 1.00 0.00 C ATOM 2294 CD GLU C 45 13.331 4.765 -1.529 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.245 4.572 -2.763 1.00 0.00 O ATOM 2296 OE2 GLU C 45 14.390 5.030 -0.918 1.00 0.00 O ATOM 0 H GLU C 45 8.641 4.797 -2.591 1.00 0.00 H new ATOM 0 HA GLU C 45 10.123 6.614 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU C 45 10.004 4.085 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.950 4.020 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.007 5.538 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU C 45 12.113 3.789 -0.054 1.00 0.00 H new ATOM 2303 N GLU C 46 10.956 6.731 -4.154 1.00 0.00 N ATOM 2304 CA GLU C 46 11.818 7.432 -5.097 1.00 0.00 C ATOM 2305 C GLU C 46 11.523 8.934 -5.101 1.00 0.00 C ATOM 2306 O GLU C 46 12.445 9.744 -5.182 1.00 0.00 O ATOM 2307 CB GLU C 46 11.592 6.846 -6.493 1.00 0.00 C ATOM 2308 CG GLU C 46 12.485 7.514 -7.539 1.00 0.00 C ATOM 2309 CD GLU C 46 12.271 6.896 -8.917 1.00 0.00 C ATOM 2310 OE1 GLU C 46 11.094 6.800 -9.330 1.00 0.00 O ATOM 2311 OE2 GLU C 46 13.284 6.519 -9.550 1.00 0.00 O ATOM 0 H GLU C 46 10.180 6.230 -4.588 1.00 0.00 H new ATOM 0 HA GLU C 46 12.858 7.301 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.792 5.775 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU C 46 10.546 6.970 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.269 8.582 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU C 46 13.531 7.411 -7.249 1.00 0.00 H new ATOM 2318 N ILE C 47 10.245 9.321 -5.014 1.00 0.00 N ATOM 2319 CA ILE C 47 9.854 10.722 -5.012 1.00 0.00 C ATOM 2320 C ILE C 47 10.107 11.299 -3.626 1.00 0.00 C ATOM 2321 O ILE C 47 10.441 12.476 -3.502 1.00 0.00 O ATOM 2322 CB ILE C 47 8.369 10.849 -5.384 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.152 10.864 -6.899 1.00 0.00 C ATOM 2324 CG2 ILE C 47 7.768 12.156 -4.866 1.00 0.00 C ATOM 2325 CD1 ILE C 47 8.806 9.696 -7.633 1.00 0.00 C ATOM 0 H ILE C 47 9.462 8.671 -4.944 1.00 0.00 H new ATOM 0 HA ILE C 47 10.440 11.275 -5.747 1.00 0.00 H new ATOM 0 HB ILE C 47 7.890 9.981 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.081 10.853 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.544 11.798 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE C 47 6.717 12.210 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE C 47 7.854 12.191 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.304 13.000 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.606 9.780 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.882 9.716 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.397 8.757 -7.260 1.00 0.00 H new ATOM 2337 N TYR C 48 9.947 10.473 -2.592 1.00 0.00 N ATOM 2338 CA TYR C 48 10.064 10.903 -1.209 1.00 0.00 C ATOM 2339 C TYR C 48 11.417 11.553 -0.922 1.00 0.00 C ATOM 2340 O TYR C 48 11.510 12.432 -0.069 1.00 0.00 O ATOM 2341 CB TYR C 48 9.850 9.695 -0.317 1.00 0.00 C ATOM 2342 CG TYR C 48 9.936 9.987 1.162 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.842 10.547 1.835 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.113 9.691 1.860 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.906 10.769 3.219 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.173 9.874 3.245 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.065 10.405 3.935 1.00 0.00 C ATOM 2348 OH TYR C 48 10.122 10.570 5.282 1.00 0.00 O ATOM 0 H TYR C 48 9.731 9.482 -2.697 1.00 0.00 H new ATOM 0 HA TYR C 48 9.308 11.662 -1.009 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.871 9.268 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.592 8.937 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.948 10.808 1.288 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.977 9.321 1.328 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.070 11.218 3.735 1.00 0.00 H new ATOM 0 HE2 TYR C 48 12.069 9.608 3.786 1.00 0.00 H new ATOM 0 HH TYR C 48 10.073 11.525 5.497 1.00 0.00 H new