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= -1.25 K(o=-1.2,f=-3.4!) 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 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.3!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -89:sc= 0.0859 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.0831 USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.145) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0208 (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 : amide:sc= -0.602 X(o=-0.6,f=-0.28) USER MOD Single : A 29 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.3) USER MOD Single : A 35 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.246) USER MOD Single : A 43 HIS : no HE2:sc= -0.933 K(o=-0.93,f=-1.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 147:sc= 0.0205 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 141:sc= 1.24 (180deg=0.506) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -1.75 K(o=-1.7,f=-0.53) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : C 35 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.7!) USER MOD Single : C 38 LYS NZ :NH3+ 166:sc= -0.0214 (180deg=-0.237) USER MOD Single : C 43 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.181 9.845 -1.937 1.00 0.00 N ATOM 2 CA MET A 1 6.714 9.825 -2.099 1.00 0.00 C ATOM 3 C MET A 1 6.338 9.519 -3.540 1.00 0.00 C ATOM 4 O MET A 1 7.006 9.976 -4.459 1.00 0.00 O ATOM 5 CB MET A 1 6.107 11.169 -1.679 1.00 0.00 C ATOM 6 CG MET A 1 4.589 11.240 -1.869 1.00 0.00 C ATOM 7 SD MET A 1 3.603 10.235 -0.737 1.00 0.00 S ATOM 8 CE MET A 1 1.961 10.806 -1.243 1.00 0.00 C ATOM 0 H1 MET A 1 8.452 10.644 -1.329 1.00 0.00 H new ATOM 0 H2 MET A 1 8.494 8.955 -1.499 1.00 0.00 H new ATOM 0 H3 MET A 1 8.632 9.950 -2.868 1.00 0.00 H new ATOM 0 HA MET A 1 6.315 9.040 -1.456 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.343 11.354 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.575 11.966 -2.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.278 12.280 -1.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.356 10.937 -2.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.298 10.821 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.037 11.810 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.557 10.130 -1.997 1.00 0.00 H new ATOM 20 N LEU A 2 5.269 8.747 -3.740 1.00 0.00 N ATOM 21 CA LEU A 2 4.736 8.477 -5.062 1.00 0.00 C ATOM 22 C LEU A 2 3.216 8.497 -4.996 1.00 0.00 C ATOM 23 O LEU A 2 2.638 8.285 -3.931 1.00 0.00 O ATOM 24 CB LEU A 2 5.221 7.105 -5.544 1.00 0.00 C ATOM 25 CG LEU A 2 6.342 7.191 -6.576 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.762 5.777 -6.964 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.886 7.929 -7.841 1.00 0.00 C ATOM 0 H LEU A 2 4.753 8.294 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 2 5.081 9.238 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.569 6.528 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.381 6.561 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 2 7.172 7.742 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.563 5.825 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.114 5.246 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.909 5.248 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.709 7.972 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.045 7.399 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.579 8.942 -7.581 1.00 0.00 H new ATOM 39 N ILE A 3 2.573 8.754 -6.133 1.00 0.00 N ATOM 40 CA ILE A 3 1.123 8.745 -6.244 1.00 0.00 C ATOM 41 C ILE A 3 0.730 7.938 -7.474 1.00 0.00 C ATOM 42 O ILE A 3 1.454 7.925 -8.468 1.00 0.00 O ATOM 43 CB ILE A 3 0.596 10.184 -6.326 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.787 10.935 -5.005 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.903 10.178 -6.615 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.128 11.656 -4.919 1.00 0.00 C ATOM 0 H ILE A 3 3.050 8.975 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 3 0.679 8.281 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 3 1.157 10.677 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.018 11.660 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.706 10.230 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.267 11.204 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.089 9.675 -7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.425 9.651 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.204 12.169 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.937 10.931 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.202 12.384 -5.727 1.00 0.00 H new ATOM 58 N LEU A 4 -0.421 7.267 -7.399 1.00 0.00 N ATOM 59 CA LEU A 4 -0.908 6.370 -8.439 1.00 0.00 C ATOM 60 C LEU A 4 -2.433 6.375 -8.477 1.00 0.00 C ATOM 61 O LEU A 4 -3.080 6.871 -7.555 1.00 0.00 O ATOM 62 CB LEU A 4 -0.474 4.937 -8.120 1.00 0.00 C ATOM 63 CG LEU A 4 1.037 4.715 -8.112 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.260 3.290 -7.634 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.630 4.866 -9.512 1.00 0.00 C ATOM 0 H LEU A 4 -1.049 7.336 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.502 6.707 -9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.874 4.659 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.923 4.265 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 4 1.519 5.451 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.329 3.078 -7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.844 3.172 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.768 2.596 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.707 4.702 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.177 4.134 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.430 5.870 -9.885 1.00 0.00 H new ATOM 77 N THR A 5 -3.009 5.818 -9.548 1.00 0.00 N ATOM 78 CA THR A 5 -4.445 5.599 -9.611 1.00 0.00 C ATOM 79 C THR A 5 -4.733 4.218 -10.191 1.00 0.00 C ATOM 80 O THR A 5 -4.652 4.005 -11.400 1.00 0.00 O ATOM 81 CB THR A 5 -5.156 6.688 -10.415 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.580 7.957 -10.172 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.611 6.731 -9.973 1.00 0.00 C ATOM 0 H THR A 5 -2.498 5.514 -10.377 1.00 0.00 H new ATOM 0 HA THR A 5 -4.838 5.649 -8.596 1.00 0.00 H new ATOM 0 HB THR A 5 -5.065 6.459 -11.477 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.051 8.636 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.139 7.502 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.077 5.763 -10.160 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.661 6.959 -8.908 1.00 0.00 H new ATOM 91 N ARG A 6 -5.077 3.278 -9.307 1.00 0.00 N ATOM 92 CA ARG A 6 -5.429 1.907 -9.657 1.00 0.00 C ATOM 93 C ARG A 6 -6.926 1.705 -9.544 1.00 0.00 C ATOM 94 O ARG A 6 -7.621 2.505 -8.923 1.00 0.00 O ATOM 95 CB ARG A 6 -4.715 0.957 -8.686 1.00 0.00 C ATOM 96 CG ARG A 6 -3.204 0.890 -8.934 1.00 0.00 C ATOM 97 CD ARG A 6 -2.869 -0.214 -9.937 1.00 0.00 C ATOM 98 NE ARG A 6 -3.609 -0.046 -11.188 1.00 0.00 N ATOM 99 CZ ARG A 6 -3.198 0.676 -12.233 1.00 0.00 C ATOM 100 NH1 ARG A 6 -2.034 1.319 -12.210 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.967 0.751 -13.315 1.00 0.00 N ATOM 0 H ARG A 6 -5.118 3.458 -8.304 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.124 1.703 -10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.898 1.284 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.140 -0.042 -8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.849 1.850 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.684 0.704 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.799 -0.207 -10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.104 -1.185 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.510 -0.518 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.438 1.265 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.737 1.866 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.861 0.260 -13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.663 1.300 -14.119 1.00 0.00 H new ATOM 115 N LYS A 7 -7.419 0.627 -10.147 1.00 0.00 N ATOM 116 CA LYS A 7 -8.819 0.257 -10.053 1.00 0.00 C ATOM 117 C LYS A 7 -8.933 -1.106 -9.395 1.00 0.00 C ATOM 118 O LYS A 7 -7.942 -1.822 -9.240 1.00 0.00 O ATOM 119 CB LYS A 7 -9.489 0.249 -11.426 1.00 0.00 C ATOM 120 CG LYS A 7 -9.554 1.622 -12.077 1.00 0.00 C ATOM 121 CD LYS A 7 -10.095 1.504 -13.499 1.00 0.00 C ATOM 122 CE LYS A 7 -11.596 1.216 -13.516 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.086 1.047 -14.898 1.00 0.00 N ATOM 0 H LYS A 7 -6.857 -0.010 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.336 1.000 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.946 -0.430 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.500 -0.145 -11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.193 2.281 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.562 2.072 -12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.897 2.429 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.567 0.708 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.804 0.314 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.132 2.033 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.108 0.852 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.907 1.917 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.589 0.252 -15.348 1.00 0.00 H new ATOM 137 N VAL A 8 -10.154 -1.465 -9.005 1.00 0.00 N ATOM 138 CA VAL A 8 -10.361 -2.678 -8.231 1.00 0.00 C ATOM 139 C VAL A 8 -9.941 -3.914 -9.014 1.00 0.00 C ATOM 140 O VAL A 8 -10.345 -4.106 -10.163 1.00 0.00 O ATOM 141 CB VAL A 8 -11.791 -2.767 -7.699 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.134 -1.471 -6.958 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.854 -2.993 -8.768 1.00 0.00 C ATOM 0 H VAL A 8 -11.003 -0.938 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.713 -2.633 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.808 -3.640 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.153 -1.529 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.443 -1.333 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.051 -0.627 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.837 -3.043 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.834 -2.169 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.653 -3.929 -9.289 1.00 0.00 H new ATOM 153 N GLY A 9 -9.117 -4.750 -8.378 1.00 0.00 N ATOM 154 CA GLY A 9 -8.627 -5.987 -8.975 1.00 0.00 C ATOM 155 C GLY A 9 -7.188 -5.868 -9.480 1.00 0.00 C ATOM 156 O GLY A 9 -6.657 -6.839 -10.016 1.00 0.00 O ATOM 0 H GLY A 9 -8.772 -4.585 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.684 -6.789 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.277 -6.268 -9.804 1.00 0.00 H new ATOM 160 N GLU A 10 -6.553 -4.703 -9.324 1.00 0.00 N ATOM 161 CA GLU A 10 -5.187 -4.489 -9.790 1.00 0.00 C ATOM 162 C GLU A 10 -4.205 -4.481 -8.615 1.00 0.00 C ATOM 163 O GLU A 10 -4.619 -4.595 -7.462 1.00 0.00 O ATOM 164 CB GLU A 10 -5.118 -3.180 -10.580 1.00 0.00 C ATOM 165 CG GLU A 10 -6.032 -3.239 -11.803 1.00 0.00 C ATOM 166 CD GLU A 10 -5.868 -1.997 -12.674 1.00 0.00 C ATOM 167 OE1 GLU A 10 -6.033 -0.883 -12.128 1.00 0.00 O ATOM 168 OE2 GLU A 10 -5.580 -2.165 -13.877 1.00 0.00 O ATOM 0 H GLU A 10 -6.971 -3.889 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.900 -5.310 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.411 -2.347 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.091 -2.993 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.804 -4.130 -12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.070 -3.326 -11.481 1.00 0.00 H new ATOM 175 N SER A 11 -2.905 -4.343 -8.902 1.00 0.00 N ATOM 176 CA SER A 11 -1.866 -4.452 -7.881 1.00 0.00 C ATOM 177 C SER A 11 -0.718 -3.476 -8.123 1.00 0.00 C ATOM 178 O SER A 11 -0.605 -2.886 -9.198 1.00 0.00 O ATOM 179 CB SER A 11 -1.316 -5.881 -7.871 1.00 0.00 C ATOM 180 OG SER A 11 -2.339 -6.800 -7.536 1.00 0.00 O ATOM 0 H SER A 11 -2.550 -4.155 -9.840 1.00 0.00 H new ATOM 0 HA SER A 11 -2.318 -4.205 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.904 -6.126 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.499 -5.958 -7.153 1.00 0.00 H new ATOM 0 HG SER A 11 -2.371 -6.913 -6.563 1.00 0.00 H new ATOM 186 N ILE A 12 0.126 -3.321 -7.097 1.00 0.00 N ATOM 187 CA ILE A 12 1.302 -2.455 -7.050 1.00 0.00 C ATOM 188 C ILE A 12 2.373 -3.200 -6.246 1.00 0.00 C ATOM 189 O ILE A 12 2.066 -4.196 -5.596 1.00 0.00 O ATOM 190 CB ILE A 12 0.915 -1.120 -6.384 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.156 -0.368 -7.200 1.00 0.00 C ATOM 192 CG2 ILE A 12 2.117 -0.193 -6.167 1.00 0.00 C ATOM 193 CD1 ILE A 12 0.338 0.056 -8.584 1.00 0.00 C ATOM 0 H ILE A 12 -0.005 -3.831 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 12 1.686 -2.226 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 12 0.510 -1.389 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.033 -1.005 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.473 0.516 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.783 0.731 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.846 -0.686 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.578 0.036 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.460 0.580 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.198 0.717 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.629 -0.827 -9.153 1.00 0.00 H new ATOM 205 N ASN A 13 3.631 -2.745 -6.269 1.00 0.00 N ATOM 206 CA ASN A 13 4.712 -3.458 -5.593 1.00 0.00 C ATOM 207 C ASN A 13 5.674 -2.517 -4.876 1.00 0.00 C ATOM 208 O ASN A 13 5.780 -1.338 -5.217 1.00 0.00 O ATOM 209 CB ASN A 13 5.480 -4.297 -6.616 1.00 0.00 C ATOM 210 CG ASN A 13 4.633 -5.436 -7.163 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.810 -5.238 -8.052 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.828 -6.638 -6.636 1.00 0.00 N ATOM 0 H ASN A 13 3.921 -1.891 -6.746 1.00 0.00 H new ATOM 0 HA ASN A 13 4.261 -4.097 -4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.806 -3.659 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.379 -4.703 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.285 -7.435 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.521 -6.765 -5.898 1.00 0.00 H new ATOM 219 N ILE A 14 6.376 -3.061 -3.876 1.00 0.00 N ATOM 220 CA ILE A 14 7.377 -2.344 -3.092 1.00 0.00 C ATOM 221 C ILE A 14 8.547 -3.284 -2.806 1.00 0.00 C ATOM 222 O ILE A 14 8.361 -4.494 -2.665 1.00 0.00 O ATOM 223 CB ILE A 14 6.759 -1.826 -1.779 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.512 -0.977 -2.067 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.782 -1.006 -0.994 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.856 -0.445 -0.792 1.00 0.00 C ATOM 0 H ILE A 14 6.259 -4.032 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 14 7.736 -1.482 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 14 6.464 -2.686 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.788 -0.138 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.789 -1.576 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.329 -0.648 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.644 -1.630 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.104 -0.155 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.980 0.148 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.553 -1.282 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.567 0.178 -0.250 1.00 0.00 H new ATOM 238 N GLY A 15 9.756 -2.724 -2.717 1.00 0.00 N ATOM 239 CA GLY A 15 10.963 -3.490 -2.461 1.00 0.00 C ATOM 240 C GLY A 15 11.094 -4.642 -3.453 1.00 0.00 C ATOM 241 O GLY A 15 10.795 -4.491 -4.638 1.00 0.00 O ATOM 0 H GLY A 15 9.918 -1.722 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.834 -2.840 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.942 -3.881 -1.444 1.00 0.00 H new ATOM 245 N ASP A 16 11.544 -5.795 -2.955 1.00 0.00 N ATOM 246 CA ASP A 16 11.687 -7.009 -3.743 1.00 0.00 C ATOM 247 C ASP A 16 10.991 -8.177 -3.038 1.00 0.00 C ATOM 248 O ASP A 16 11.151 -9.330 -3.437 1.00 0.00 O ATOM 249 CB ASP A 16 13.169 -7.309 -3.971 1.00 0.00 C ATOM 250 CG ASP A 16 13.844 -6.200 -4.777 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.777 -6.278 -6.023 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.419 -5.288 -4.142 1.00 0.00 O ATOM 0 H ASP A 16 11.822 -5.908 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 16 11.213 -6.868 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.671 -7.420 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.273 -8.258 -4.497 1.00 0.00 H new ATOM 257 N ASP A 17 10.216 -7.874 -1.988 1.00 0.00 N ATOM 258 CA ASP A 17 9.526 -8.879 -1.194 1.00 0.00 C ATOM 259 C ASP A 17 8.137 -8.397 -0.761 1.00 0.00 C ATOM 260 O ASP A 17 7.516 -9.041 0.087 1.00 0.00 O ATOM 261 CB ASP A 17 10.356 -9.241 0.046 1.00 0.00 C ATOM 262 CG ASP A 17 11.754 -9.735 -0.316 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.880 -10.941 -0.624 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.688 -8.903 -0.285 1.00 0.00 O ATOM 0 H ASP A 17 10.054 -6.918 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 17 9.401 -9.763 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.438 -8.368 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.837 -10.012 0.615 1.00 0.00 H new ATOM 269 N ILE A 18 7.632 -7.289 -1.315 1.00 0.00 N ATOM 270 CA ILE A 18 6.322 -6.778 -0.930 1.00 0.00 C ATOM 271 C ILE A 18 5.464 -6.504 -2.162 1.00 0.00 C ATOM 272 O ILE A 18 5.964 -6.113 -3.217 1.00 0.00 O ATOM 273 CB ILE A 18 6.459 -5.506 -0.071 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.325 -5.744 1.172 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.077 -5.028 0.384 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.779 -5.356 0.907 1.00 0.00 C ATOM 0 H ILE A 18 8.111 -6.736 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 18 5.826 -7.541 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 18 6.941 -4.751 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.936 -5.162 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.272 -6.793 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.185 -4.129 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.463 -4.806 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.598 -5.809 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.372 -5.534 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.172 -5.956 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.831 -4.300 0.641 1.00 0.00 H new ATOM 288 N THR A 19 4.156 -6.714 -2.011 1.00 0.00 N ATOM 289 CA THR A 19 3.166 -6.464 -3.045 1.00 0.00 C ATOM 290 C THR A 19 1.925 -5.869 -2.384 1.00 0.00 C ATOM 291 O THR A 19 1.707 -6.052 -1.186 1.00 0.00 O ATOM 292 CB THR A 19 2.832 -7.780 -3.761 1.00 0.00 C ATOM 293 OG1 THR A 19 4.015 -8.371 -4.257 1.00 0.00 O ATOM 294 CG2 THR A 19 1.873 -7.568 -4.934 1.00 0.00 C ATOM 0 H THR A 19 3.752 -7.071 -1.145 1.00 0.00 H new ATOM 0 HA THR A 19 3.548 -5.764 -3.787 1.00 0.00 H new ATOM 0 HB THR A 19 2.351 -8.429 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.795 -9.211 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.664 -8.526 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.942 -7.134 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.328 -6.893 -5.659 1.00 0.00 H new ATOM 302 N ILE A 20 1.113 -5.159 -3.167 1.00 0.00 N ATOM 303 CA ILE A 20 -0.094 -4.491 -2.699 1.00 0.00 C ATOM 304 C ILE A 20 -1.206 -4.765 -3.701 1.00 0.00 C ATOM 305 O ILE A 20 -0.941 -4.872 -4.896 1.00 0.00 O ATOM 306 CB ILE A 20 0.167 -2.979 -2.592 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.330 -2.651 -1.646 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.096 -2.239 -2.152 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.009 -2.965 -0.183 1.00 0.00 C ATOM 0 H ILE A 20 1.282 -5.032 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.383 -4.863 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 20 0.451 -2.639 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.211 -3.217 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.582 -1.595 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.887 -1.171 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.889 -2.407 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.414 -2.610 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.867 -2.713 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.146 -2.379 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.785 -4.027 -0.079 1.00 0.00 H new ATOM 321 N THR A 21 -2.446 -4.878 -3.221 1.00 0.00 N ATOM 322 CA THR A 21 -3.587 -5.157 -4.084 1.00 0.00 C ATOM 323 C THR A 21 -4.805 -4.379 -3.601 1.00 0.00 C ATOM 324 O THR A 21 -4.974 -4.164 -2.405 1.00 0.00 O ATOM 325 CB THR A 21 -3.873 -6.664 -4.074 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.700 -7.384 -4.394 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.949 -7.040 -5.091 1.00 0.00 C ATOM 0 H THR A 21 -2.682 -4.779 -2.234 1.00 0.00 H new ATOM 0 HA THR A 21 -3.361 -4.845 -5.104 1.00 0.00 H new ATOM 0 HB THR A 21 -4.221 -6.917 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.893 -8.345 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.124 -8.115 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.874 -6.513 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.618 -6.760 -6.091 1.00 0.00 H new ATOM 335 N ILE A 22 -5.653 -3.956 -4.541 1.00 0.00 N ATOM 336 CA ILE A 22 -6.883 -3.234 -4.255 1.00 0.00 C ATOM 337 C ILE A 22 -8.050 -4.197 -4.470 1.00 0.00 C ATOM 338 O ILE A 22 -8.530 -4.372 -5.590 1.00 0.00 O ATOM 339 CB ILE A 22 -6.944 -1.947 -5.099 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.336 -1.311 -5.136 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.491 -2.173 -6.543 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.897 -1.085 -3.738 1.00 0.00 C ATOM 0 H ILE A 22 -5.497 -4.111 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.932 -2.894 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.257 -1.267 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.286 -0.359 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.013 -1.953 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.553 -1.235 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.461 -2.530 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.136 -2.915 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.886 -0.632 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.973 -2.040 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.234 -0.421 -3.183 1.00 0.00 H new ATOM 354 N LEU A 23 -8.505 -4.832 -3.383 1.00 0.00 N ATOM 355 CA LEU A 23 -9.516 -5.878 -3.450 1.00 0.00 C ATOM 356 C LEU A 23 -10.880 -5.331 -3.894 1.00 0.00 C ATOM 357 O LEU A 23 -11.681 -6.077 -4.458 1.00 0.00 O ATOM 358 CB LEU A 23 -9.657 -6.577 -2.093 1.00 0.00 C ATOM 359 CG LEU A 23 -8.329 -7.029 -1.460 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.617 -7.891 -0.237 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.470 -7.869 -2.397 1.00 0.00 C ATOM 0 H LEU A 23 -8.180 -4.631 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.183 -6.598 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.161 -5.901 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.301 -7.448 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.788 -6.116 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.677 -8.212 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.187 -7.313 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.193 -8.767 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.549 -8.154 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.017 -8.766 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.228 -7.289 -3.287 1.00 0.00 H new ATOM 373 N GLY A 24 -11.154 -4.043 -3.648 1.00 0.00 N ATOM 374 CA GLY A 24 -12.390 -3.418 -4.104 1.00 0.00 C ATOM 375 C GLY A 24 -12.768 -2.195 -3.274 1.00 0.00 C ATOM 376 O GLY A 24 -11.987 -1.754 -2.433 1.00 0.00 O ATOM 0 H GLY A 24 -10.532 -3.418 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.281 -3.125 -5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.199 -4.147 -4.060 1.00 0.00 H new ATOM 380 N VAL A 25 -13.966 -1.640 -3.507 1.00 0.00 N ATOM 381 CA VAL A 25 -14.452 -0.480 -2.765 1.00 0.00 C ATOM 382 C VAL A 25 -15.902 -0.663 -2.327 1.00 0.00 C ATOM 383 O VAL A 25 -16.613 -1.514 -2.859 1.00 0.00 O ATOM 384 CB VAL A 25 -14.322 0.805 -3.600 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.927 0.943 -4.211 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.370 0.866 -4.711 1.00 0.00 C ATOM 0 H VAL A 25 -14.618 -1.984 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.831 -0.388 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.489 1.635 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.874 1.863 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.183 0.974 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.728 0.090 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.245 1.788 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.246 0.011 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.367 0.842 -4.272 1.00 0.00 H new ATOM 396 N SER A 26 -16.325 0.151 -1.354 1.00 0.00 N ATOM 397 CA SER A 26 -17.685 0.173 -0.837 1.00 0.00 C ATOM 398 C SER A 26 -18.001 1.583 -0.349 1.00 0.00 C ATOM 399 O SER A 26 -17.778 1.905 0.819 1.00 0.00 O ATOM 400 CB SER A 26 -17.831 -0.825 0.315 1.00 0.00 C ATOM 401 OG SER A 26 -17.592 -2.147 -0.126 1.00 0.00 O ATOM 0 H SER A 26 -15.712 0.826 -0.898 1.00 0.00 H new ATOM 0 HA SER A 26 -18.381 -0.111 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.131 -0.571 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.833 -0.754 0.737 1.00 0.00 H new ATOM 0 HG SER A 26 -17.689 -2.766 0.628 1.00 0.00 H new ATOM 407 N GLY A 27 -18.525 2.430 -1.240 1.00 0.00 N ATOM 408 CA GLY A 27 -18.818 3.814 -0.896 1.00 0.00 C ATOM 409 C GLY A 27 -17.519 4.610 -0.798 1.00 0.00 C ATOM 410 O GLY A 27 -16.948 4.972 -1.828 1.00 0.00 O ATOM 0 H GLY A 27 -18.753 2.177 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.469 4.255 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.354 3.857 0.052 1.00 0.00 H new ATOM 414 N GLN A 28 -17.054 4.881 0.426 1.00 0.00 N ATOM 415 CA GLN A 28 -15.770 5.542 0.629 1.00 0.00 C ATOM 416 C GLN A 28 -14.758 4.546 1.156 1.00 0.00 C ATOM 417 O GLN A 28 -13.556 4.794 1.082 1.00 0.00 O ATOM 418 CB GLN A 28 -15.873 6.685 1.642 1.00 0.00 C ATOM 419 CG GLN A 28 -16.820 7.797 1.211 1.00 0.00 C ATOM 420 CD GLN A 28 -16.602 8.218 -0.236 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.513 8.136 -1.054 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.399 8.672 -0.575 1.00 0.00 N ATOM 0 H GLN A 28 -17.550 4.651 1.287 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.460 5.945 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.209 6.283 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.881 7.106 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.850 7.463 1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.682 8.660 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.660 8.730 0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.216 8.963 -1.535 1.00 0.00 H new ATOM 431 N GLN A 29 -15.236 3.418 1.692 1.00 0.00 N ATOM 432 CA GLN A 29 -14.343 2.373 2.142 1.00 0.00 C ATOM 433 C GLN A 29 -13.668 1.765 0.924 1.00 0.00 C ATOM 434 O GLN A 29 -14.247 1.691 -0.160 1.00 0.00 O ATOM 435 CB GLN A 29 -15.104 1.307 2.930 1.00 0.00 C ATOM 436 CG GLN A 29 -15.493 1.818 4.323 1.00 0.00 C ATOM 437 CD GLN A 29 -14.266 2.049 5.200 1.00 0.00 C ATOM 438 OE1 GLN A 29 -13.217 1.440 5.002 1.00 0.00 O ATOM 439 NE2 GLN A 29 -14.389 2.931 6.186 1.00 0.00 N ATOM 0 H GLN A 29 -16.228 3.217 1.819 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.592 2.793 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.001 1.018 2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.487 0.413 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.052 2.749 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.154 1.097 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.273 3.421 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.599 3.118 6.804 1.00 0.00 H new ATOM 448 N VAL A 30 -12.430 1.327 1.121 1.00 0.00 N ATOM 449 CA VAL A 30 -11.602 0.735 0.096 1.00 0.00 C ATOM 450 C VAL A 30 -10.947 -0.475 0.740 1.00 0.00 C ATOM 451 O VAL A 30 -10.171 -0.339 1.686 1.00 0.00 O ATOM 452 CB VAL A 30 -10.572 1.770 -0.374 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.651 1.174 -1.431 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.264 2.986 -0.995 1.00 0.00 C ATOM 0 H VAL A 30 -11.968 1.379 2.029 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.166 0.428 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.998 2.070 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.929 1.926 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.123 0.318 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.242 0.852 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.513 3.705 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.858 2.668 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.915 3.451 -0.255 1.00 0.00 H new ATOM 464 N ARG A 31 -11.262 -1.662 0.224 1.00 0.00 N ATOM 465 CA ARG A 31 -10.720 -2.899 0.747 1.00 0.00 C ATOM 466 C ARG A 31 -9.383 -3.141 0.065 1.00 0.00 C ATOM 467 O ARG A 31 -9.301 -3.130 -1.162 1.00 0.00 O ATOM 468 CB ARG A 31 -11.710 -4.029 0.471 1.00 0.00 C ATOM 469 CG ARG A 31 -11.289 -5.279 1.241 1.00 0.00 C ATOM 470 CD ARG A 31 -12.250 -6.422 0.933 1.00 0.00 C ATOM 471 NE ARG A 31 -11.867 -7.622 1.685 1.00 0.00 N ATOM 472 CZ ARG A 31 -11.683 -8.830 1.143 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.881 -9.039 -0.156 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.294 -9.846 1.902 1.00 0.00 N ATOM 0 H ARG A 31 -11.897 -1.785 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.564 -2.850 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.714 -3.727 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.745 -4.242 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.273 -5.562 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.284 -5.074 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.268 -6.131 1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.242 -6.636 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.732 -7.528 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.178 -8.270 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.735 -9.968 -0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.135 -9.706 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.154 -10.768 1.488 1.00 0.00 H new ATOM 488 N ILE A 32 -8.335 -3.361 0.857 1.00 0.00 N ATOM 489 CA ILE A 32 -6.970 -3.404 0.354 1.00 0.00 C ATOM 490 C ILE A 32 -6.269 -4.637 0.908 1.00 0.00 C ATOM 491 O ILE A 32 -6.646 -5.147 1.963 1.00 0.00 O ATOM 492 CB ILE A 32 -6.220 -2.121 0.759 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.123 -0.891 0.588 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.940 -1.969 -0.073 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.382 0.431 0.789 1.00 0.00 C ATOM 0 H ILE A 32 -8.412 -3.514 1.863 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.980 -3.463 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.944 -2.198 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.562 -0.906 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.946 -0.951 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.420 -1.058 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.292 -2.829 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.198 -1.912 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.076 1.261 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.966 0.465 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.576 0.511 0.060 1.00 0.00 H new ATOM 507 N GLY A 33 -5.253 -5.114 0.197 1.00 0.00 N ATOM 508 CA GLY A 33 -4.464 -6.250 0.630 1.00 0.00 C ATOM 509 C GLY A 33 -2.984 -5.910 0.546 1.00 0.00 C ATOM 510 O GLY A 33 -2.572 -5.054 -0.237 1.00 0.00 O ATOM 0 H GLY A 33 -4.957 -4.720 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.727 -6.519 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.684 -7.116 0.006 1.00 0.00 H new ATOM 514 N ILE A 34 -2.185 -6.592 1.365 1.00 0.00 N ATOM 515 CA ILE A 34 -0.754 -6.359 1.474 1.00 0.00 C ATOM 516 C ILE A 34 -0.085 -7.710 1.611 1.00 0.00 C ATOM 517 O ILE A 34 -0.543 -8.557 2.371 1.00 0.00 O ATOM 518 CB ILE A 34 -0.461 -5.497 2.707 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.229 -4.171 2.636 1.00 0.00 C ATOM 520 CG2 ILE A 34 1.051 -5.250 2.811 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.098 -3.389 3.940 1.00 0.00 C ATOM 0 H ILE A 34 -2.523 -7.333 1.979 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.378 -5.834 0.596 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.795 -6.025 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.849 -3.571 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.281 -4.367 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.260 -4.637 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.570 -6.204 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.398 -4.733 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.652 -2.454 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.501 -3.981 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.047 -3.173 4.130 1.00 0.00 H new ATOM 533 N ASN A 35 1.003 -7.915 0.874 1.00 0.00 N ATOM 534 CA ASN A 35 1.645 -9.209 0.819 1.00 0.00 C ATOM 535 C ASN A 35 3.142 -9.054 1.027 1.00 0.00 C ATOM 536 O ASN A 35 3.884 -8.733 0.101 1.00 0.00 O ATOM 537 CB ASN A 35 1.291 -9.859 -0.516 1.00 0.00 C ATOM 538 CG ASN A 35 1.682 -11.328 -0.566 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.498 -11.796 0.223 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.094 -12.070 -1.498 1.00 0.00 N ATOM 0 H ASN A 35 1.453 -7.195 0.308 1.00 0.00 H new ATOM 0 HA ASN A 35 1.292 -9.861 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.219 -9.765 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.793 -9.324 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.316 -13.063 -1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.421 -11.647 -2.137 1.00 0.00 H new ATOM 547 N ALA A 36 3.565 -9.294 2.268 1.00 0.00 N ATOM 548 CA ALA A 36 4.952 -9.264 2.679 1.00 0.00 C ATOM 549 C ALA A 36 5.158 -10.345 3.730 1.00 0.00 C ATOM 550 O ALA A 36 4.211 -10.707 4.431 1.00 0.00 O ATOM 551 CB ALA A 36 5.294 -7.907 3.292 1.00 0.00 C ATOM 0 H ALA A 36 2.927 -9.520 3.031 1.00 0.00 H new ATOM 0 HA ALA A 36 5.594 -9.432 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.341 -7.899 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.124 -7.122 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.661 -7.731 4.162 1.00 0.00 H new ATOM 557 N PRO A 37 6.386 -10.858 3.842 1.00 0.00 N ATOM 558 CA PRO A 37 6.718 -11.839 4.847 1.00 0.00 C ATOM 559 C PRO A 37 6.521 -11.235 6.229 1.00 0.00 C ATOM 560 O PRO A 37 6.623 -10.025 6.402 1.00 0.00 O ATOM 561 CB PRO A 37 8.185 -12.190 4.594 1.00 0.00 C ATOM 562 CG PRO A 37 8.740 -11.015 3.793 1.00 0.00 C ATOM 563 CD PRO A 37 7.529 -10.525 3.017 1.00 0.00 C ATOM 0 HA PRO A 37 6.089 -12.728 4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.727 -12.320 5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.277 -13.124 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.143 -10.239 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.546 -11.325 3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.585 -9.451 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.465 -11.008 2.042 1.00 0.00 H new ATOM 571 N LYS A 38 6.235 -12.075 7.227 1.00 0.00 N ATOM 572 CA LYS A 38 6.121 -11.623 8.609 1.00 0.00 C ATOM 573 C LYS A 38 7.465 -11.102 9.116 1.00 0.00 C ATOM 574 O LYS A 38 7.590 -10.615 10.238 1.00 0.00 O ATOM 575 CB LYS A 38 5.619 -12.772 9.475 1.00 0.00 C ATOM 576 CG LYS A 38 4.094 -12.838 9.455 1.00 0.00 C ATOM 577 CD LYS A 38 3.433 -13.184 8.110 1.00 0.00 C ATOM 578 CE LYS A 38 3.663 -14.639 7.710 1.00 0.00 C ATOM 579 NZ LYS A 38 2.986 -15.571 8.632 1.00 0.00 N ATOM 0 H LYS A 38 6.078 -13.075 7.099 1.00 0.00 H new ATOM 0 HA LYS A 38 5.407 -10.801 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.033 -13.713 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.969 -12.642 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.776 -13.577 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.708 -11.874 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.362 -12.992 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.829 -12.529 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.297 -14.800 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.732 -14.849 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.945 -16.517 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.515 -15.620 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.020 -15.234 8.819 1.00 0.00 H new ATOM 593 N ASP A 39 8.463 -11.217 8.248 1.00 0.00 N ATOM 594 CA ASP A 39 9.807 -10.686 8.407 1.00 0.00 C ATOM 595 C ASP A 39 9.812 -9.155 8.478 1.00 0.00 C ATOM 596 O ASP A 39 10.823 -8.555 8.841 1.00 0.00 O ATOM 597 CB ASP A 39 10.634 -11.125 7.200 1.00 0.00 C ATOM 598 CG ASP A 39 12.133 -11.017 7.466 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.609 -11.703 8.397 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.792 -10.247 6.732 1.00 0.00 O ATOM 0 H ASP A 39 8.347 -11.712 7.364 1.00 0.00 H new ATOM 0 HA ASP A 39 10.223 -11.065 9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.384 -12.155 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.373 -10.510 6.339 1.00 0.00 H new ATOM 605 N VAL A 40 8.684 -8.523 8.134 1.00 0.00 N ATOM 606 CA VAL A 40 8.529 -7.076 8.155 1.00 0.00 C ATOM 607 C VAL A 40 7.220 -6.733 8.850 1.00 0.00 C ATOM 608 O VAL A 40 6.387 -7.612 9.063 1.00 0.00 O ATOM 609 CB VAL A 40 8.565 -6.497 6.731 1.00 0.00 C ATOM 610 CG1 VAL A 40 9.787 -7.016 5.973 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.313 -6.863 5.941 1.00 0.00 C ATOM 0 H VAL A 40 7.844 -9.016 7.830 1.00 0.00 H new ATOM 0 HA VAL A 40 9.359 -6.631 8.704 1.00 0.00 H new ATOM 0 HB VAL A 40 8.616 -5.413 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.797 -6.596 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.694 -6.719 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.742 -8.103 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.376 -6.436 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.233 -7.948 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.434 -6.468 6.449 1.00 0.00 H new ATOM 621 N ALA A 41 7.024 -5.462 9.209 1.00 0.00 N ATOM 622 CA ALA A 41 5.831 -5.057 9.929 1.00 0.00 C ATOM 623 C ALA A 41 4.815 -4.411 8.988 1.00 0.00 C ATOM 624 O ALA A 41 5.180 -3.828 7.970 1.00 0.00 O ATOM 625 CB ALA A 41 6.232 -4.086 11.039 1.00 0.00 C ATOM 0 H ALA A 41 7.677 -4.704 9.011 1.00 0.00 H new ATOM 0 HA ALA A 41 5.357 -5.937 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.344 -3.774 11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.925 -4.579 11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.714 -3.212 10.601 1.00 0.00 H new ATOM 631 N VAL A 42 3.529 -4.514 9.336 1.00 0.00 N ATOM 632 CA VAL A 42 2.462 -3.833 8.624 1.00 0.00 C ATOM 633 C VAL A 42 1.227 -3.732 9.516 1.00 0.00 C ATOM 634 O VAL A 42 0.791 -4.721 10.101 1.00 0.00 O ATOM 635 CB VAL A 42 2.149 -4.547 7.298 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.217 -6.068 7.422 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.768 -4.176 6.766 1.00 0.00 C ATOM 0 H VAL A 42 3.205 -5.076 10.123 1.00 0.00 H new ATOM 0 HA VAL A 42 2.786 -2.822 8.376 1.00 0.00 H new ATOM 0 HB VAL A 42 2.918 -4.210 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.988 -6.522 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.219 -6.363 7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.493 -6.405 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.586 -4.701 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.009 -4.460 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.721 -3.101 6.594 1.00 0.00 H new ATOM 647 N HIS A 43 0.665 -2.522 9.618 1.00 0.00 N ATOM 648 CA HIS A 43 -0.517 -2.242 10.421 1.00 0.00 C ATOM 649 C HIS A 43 -1.220 -1.005 9.873 1.00 0.00 C ATOM 650 O HIS A 43 -0.682 -0.336 8.989 1.00 0.00 O ATOM 651 CB HIS A 43 -0.124 -1.957 11.875 1.00 0.00 C ATOM 652 CG HIS A 43 1.027 -2.771 12.412 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.915 -3.974 13.109 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.347 -2.437 12.299 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.177 -4.331 13.410 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.054 -3.427 12.938 1.00 0.00 N ATOM 0 H HIS A 43 1.029 -1.701 9.135 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.173 -3.112 10.380 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.129 -0.901 11.963 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.994 -2.130 12.508 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.058 -4.476 13.341 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.754 -1.567 11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.449 -5.222 13.956 1.00 0.00 H new ATOM 664 N ARG A 44 -2.417 -0.682 10.380 1.00 0.00 N ATOM 665 CA ARG A 44 -3.033 0.593 10.052 1.00 0.00 C ATOM 666 C ARG A 44 -2.373 1.663 10.916 1.00 0.00 C ATOM 667 O ARG A 44 -1.674 1.339 11.874 1.00 0.00 O ATOM 668 CB ARG A 44 -4.548 0.553 10.266 1.00 0.00 C ATOM 669 CG ARG A 44 -4.922 0.197 11.708 1.00 0.00 C ATOM 670 CD ARG A 44 -6.416 0.423 11.939 1.00 0.00 C ATOM 671 NE ARG A 44 -6.746 1.850 11.854 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.962 2.369 12.033 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.010 1.590 12.278 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.116 3.686 11.962 1.00 0.00 N ATOM 0 H ARG A 44 -2.962 -1.277 11.005 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.882 0.822 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.974 1.523 10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.989 -0.177 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.669 -0.844 11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.343 0.806 12.402 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.991 -0.133 11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.700 0.037 12.918 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.986 2.496 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.892 0.578 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.933 2.004 12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.312 4.284 11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.039 4.100 12.096 1.00 0.00 H new ATOM 688 N GLU A 45 -2.584 2.936 10.588 1.00 0.00 N ATOM 689 CA GLU A 45 -1.920 4.007 11.318 1.00 0.00 C ATOM 690 C GLU A 45 -2.268 4.011 12.803 1.00 0.00 C ATOM 691 O GLU A 45 -1.519 4.574 13.595 1.00 0.00 O ATOM 692 CB GLU A 45 -2.200 5.369 10.671 1.00 0.00 C ATOM 693 CG GLU A 45 -3.672 5.621 10.327 1.00 0.00 C ATOM 694 CD GLU A 45 -4.600 5.603 11.543 1.00 0.00 C ATOM 695 OE1 GLU A 45 -4.434 6.484 12.414 1.00 0.00 O ATOM 696 OE2 GLU A 45 -5.469 4.701 11.590 1.00 0.00 O ATOM 0 H GLU A 45 -3.199 3.245 9.835 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.849 3.815 11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.859 6.154 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.608 5.452 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.759 6.587 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.004 4.864 9.616 1.00 0.00 H new ATOM 703 N GLU A 46 -3.384 3.393 13.197 1.00 0.00 N ATOM 704 CA GLU A 46 -3.783 3.381 14.594 1.00 0.00 C ATOM 705 C GLU A 46 -2.807 2.538 15.404 1.00 0.00 C ATOM 706 O GLU A 46 -2.338 2.978 16.452 1.00 0.00 O ATOM 707 CB GLU A 46 -5.201 2.819 14.698 1.00 0.00 C ATOM 708 CG GLU A 46 -5.695 2.836 16.144 1.00 0.00 C ATOM 709 CD GLU A 46 -7.147 2.371 16.223 1.00 0.00 C ATOM 710 OE1 GLU A 46 -7.371 1.143 16.133 1.00 0.00 O ATOM 711 OE2 GLU A 46 -8.027 3.251 16.372 1.00 0.00 O ATOM 0 H GLU A 46 -4.019 2.900 12.569 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.770 4.394 14.995 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.875 3.406 14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.220 1.798 14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.067 2.189 16.756 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.608 3.843 16.552 1.00 0.00 H new ATOM 718 N ILE A 47 -2.503 1.330 14.925 1.00 0.00 N ATOM 719 CA ILE A 47 -1.627 0.406 15.635 1.00 0.00 C ATOM 720 C ILE A 47 -0.179 0.865 15.498 1.00 0.00 C ATOM 721 O ILE A 47 0.642 0.605 16.374 1.00 0.00 O ATOM 722 CB ILE A 47 -1.820 -1.006 15.056 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.087 -1.686 15.587 1.00 0.00 C ATOM 724 CG2 ILE A 47 -0.644 -1.916 15.425 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.377 -0.924 15.282 1.00 0.00 C ATOM 0 H ILE A 47 -2.857 0.970 14.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.875 0.387 16.696 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.894 -0.872 13.977 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.158 -2.685 15.158 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.996 -1.808 16.666 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.805 -2.908 15.003 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.279 -1.498 15.025 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.568 -1.991 16.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.227 -1.470 15.690 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.330 0.066 15.735 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.494 -0.824 14.203 1.00 0.00 H new ATOM 737 N TYR A 48 0.142 1.551 14.399 1.00 0.00 N ATOM 738 CA TYR A 48 1.493 2.021 14.158 1.00 0.00 C ATOM 739 C TYR A 48 1.914 3.048 15.211 1.00 0.00 C ATOM 740 O TYR A 48 3.063 3.053 15.649 1.00 0.00 O ATOM 741 CB TYR A 48 1.543 2.621 12.753 1.00 0.00 C ATOM 742 CG TYR A 48 2.924 3.032 12.304 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.849 2.059 11.900 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.273 4.391 12.288 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.126 2.443 11.464 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.542 4.782 11.843 1.00 0.00 C ATOM 747 CZ TYR A 48 5.474 3.808 11.426 1.00 0.00 C ATOM 748 OH TYR A 48 6.707 4.178 10.985 1.00 0.00 O ATOM 0 H TYR A 48 -0.523 1.790 13.664 1.00 0.00 H new ATOM 0 HA TYR A 48 2.194 1.189 14.231 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.145 1.894 12.045 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.888 3.492 12.718 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.578 1.014 11.924 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.563 5.135 12.619 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.841 1.694 11.158 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.807 5.829 11.819 1.00 0.00 H new ATOM 0 HH TYR A 48 6.788 5.154 11.020 1.00 0.00 H new ATOM 1211 N MET C 1 0.562 -12.151 4.385 1.00 0.00 N ATOM 1212 CA MET C 1 -0.561 -11.449 3.734 1.00 0.00 C ATOM 1213 C MET C 1 -1.463 -10.810 4.777 1.00 0.00 C ATOM 1214 O MET C 1 -1.706 -11.401 5.821 1.00 0.00 O ATOM 1215 CB MET C 1 -1.366 -12.426 2.868 1.00 0.00 C ATOM 1216 CG MET C 1 -2.558 -11.773 2.157 1.00 0.00 C ATOM 1217 SD MET C 1 -2.130 -10.615 0.838 1.00 0.00 S ATOM 1218 CE MET C 1 -3.805 -10.225 0.265 1.00 0.00 C ATOM 0 H1 MET C 1 0.822 -12.986 3.822 1.00 0.00 H new ATOM 0 H2 MET C 1 1.379 -11.511 4.453 1.00 0.00 H new ATOM 0 H3 MET C 1 0.277 -12.451 5.339 1.00 0.00 H new ATOM 0 HA MET C 1 -0.156 -10.664 3.096 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.705 -12.867 2.122 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.729 -13.241 3.495 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.185 -12.560 1.738 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.159 -11.247 2.899 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.751 -9.514 -0.560 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.295 -11.138 -0.074 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.377 -9.788 1.084 1.00 0.00 H new ATOM 1230 N LEU C 2 -1.962 -9.605 4.499 1.00 0.00 N ATOM 1231 CA LEU C 2 -2.916 -8.935 5.365 1.00 0.00 C ATOM 1232 C LEU C 2 -3.959 -8.241 4.504 1.00 0.00 C ATOM 1233 O LEU C 2 -3.683 -7.868 3.364 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.190 -7.900 6.226 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.025 -8.343 7.674 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.348 -7.220 8.453 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.366 -8.627 8.347 1.00 0.00 C ATOM 0 H LEU C 2 -1.713 -9.071 3.666 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.399 -9.664 6.016 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.207 -7.704 5.797 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.743 -6.961 6.200 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.434 -9.259 7.673 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.223 -7.522 9.493 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.372 -7.011 8.016 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.965 -6.323 8.408 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.197 -8.939 9.377 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.977 -7.724 8.337 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.883 -9.421 7.807 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.165 -8.065 5.053 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.243 -7.361 4.379 1.00 0.00 C ATOM 1251 C ILE C 3 -6.796 -6.300 5.319 1.00 0.00 C ATOM 1252 O ILE C 3 -6.938 -6.536 6.521 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.327 -8.346 3.924 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.813 -9.250 2.794 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.541 -7.588 3.387 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.075 -10.471 3.320 1.00 0.00 C ATOM 0 H ILE C 3 -5.414 -8.410 5.980 1.00 0.00 H new ATOM 0 HA ILE C 3 -5.867 -6.870 3.481 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.598 -8.949 4.791 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.654 -9.573 2.180 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.148 -8.677 2.148 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.302 -8.300 3.068 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -8.947 -6.949 4.171 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.240 -6.974 2.538 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.732 -11.078 2.482 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.217 -10.151 3.912 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.746 -11.061 3.944 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.107 -5.134 4.755 1.00 0.00 N ATOM 1269 CA LEU C 4 -7.519 -3.940 5.471 1.00 0.00 C ATOM 1270 C LEU C 4 -8.758 -3.356 4.797 1.00 0.00 C ATOM 1271 O LEU C 4 -9.071 -3.692 3.656 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.393 -2.894 5.383 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.353 -2.904 6.512 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -6.002 -2.486 7.827 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -4.652 -4.247 6.695 1.00 0.00 C ATOM 0 H LEU C 4 -7.076 -4.996 3.745 1.00 0.00 H new ATOM 0 HA LEU C 4 -7.732 -4.191 6.510 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -5.870 -3.036 4.437 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -6.849 -1.905 5.350 1.00 0.00 H new ATOM 0 HG LEU C 4 -4.585 -2.189 6.218 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -5.255 -2.497 8.621 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -6.411 -1.481 7.727 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -6.804 -3.181 8.074 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -3.933 -4.174 7.511 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -5.390 -5.014 6.930 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -4.132 -4.514 5.775 1.00 0.00 H new ATOM 1287 N THR C 5 -9.463 -2.474 5.508 1.00 0.00 N ATOM 1288 CA THR C 5 -10.530 -1.686 4.909 1.00 0.00 C ATOM 1289 C THR C 5 -10.394 -0.257 5.420 1.00 0.00 C ATOM 1290 O THR C 5 -10.635 0.019 6.591 1.00 0.00 O ATOM 1291 CB THR C 5 -11.924 -2.263 5.190 1.00 0.00 C ATOM 1292 OG1 THR C 5 -11.863 -3.656 5.415 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.805 -2.018 3.969 1.00 0.00 C ATOM 0 H THR C 5 -9.310 -2.291 6.500 1.00 0.00 H new ATOM 0 HA THR C 5 -10.430 -1.710 3.824 1.00 0.00 H new ATOM 0 HB THR C 5 -12.327 -1.778 6.079 1.00 0.00 H new ATOM 0 HG1 THR C 5 -12.764 -3.998 5.593 1.00 0.00 H new ATOM 0 HG21 THR C 5 -13.801 -2.422 4.152 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.877 -0.947 3.781 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.368 -2.510 3.100 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.005 0.645 4.521 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.671 2.028 4.834 1.00 0.00 C ATOM 1303 C ARG C 6 -10.510 2.959 3.963 1.00 0.00 C ATOM 1304 O ARG C 6 -10.874 2.565 2.859 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.182 2.193 4.509 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.521 3.468 5.028 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.189 3.366 6.516 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.391 3.460 7.347 1.00 0.00 N ATOM 1309 CZ ARG C 6 -8.780 2.575 8.265 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -8.058 1.485 8.514 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -9.902 2.792 8.941 1.00 0.00 N ATOM 0 H ARG C 6 -9.912 0.426 3.529 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.872 2.270 5.877 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.644 1.337 4.917 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.061 2.159 3.426 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.609 3.661 4.464 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.185 4.316 4.860 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.684 2.420 6.712 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.495 4.161 6.789 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.985 4.278 7.211 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.193 1.317 7.999 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -8.369 0.817 9.220 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -10.456 3.628 8.755 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -10.210 2.122 9.646 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.830 4.177 4.421 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.561 5.112 3.570 1.00 0.00 C ATOM 1327 C LYS C 7 -10.713 6.320 3.218 1.00 0.00 C ATOM 1328 O LYS C 7 -9.644 6.535 3.788 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.912 5.544 4.143 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.804 6.304 5.462 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.111 7.077 5.626 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.175 7.841 6.946 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.015 8.738 7.127 1.00 0.00 N ATOM 0 H LYS C 7 -10.600 4.527 5.351 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.783 4.560 2.657 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.422 6.172 3.413 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.533 4.660 4.293 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.653 5.617 6.294 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -11.951 6.982 5.450 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.222 7.778 4.798 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.950 6.383 5.570 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -15.094 8.426 6.981 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -14.217 7.132 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -13.329 9.628 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -12.314 8.279 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.585 8.940 6.202 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.207 7.108 2.264 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.449 8.206 1.700 1.00 0.00 C ATOM 1349 C VAL C 8 -10.003 9.199 2.766 1.00 0.00 C ATOM 1350 O VAL C 8 -10.791 9.621 3.613 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.224 8.870 0.562 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.684 7.801 -0.429 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.468 9.634 1.014 1.00 0.00 C ATOM 0 H VAL C 8 -12.140 6.998 1.867 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.533 7.799 1.272 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.535 9.588 0.118 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.237 8.272 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.815 7.282 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.328 7.085 0.081 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.960 10.075 0.147 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.155 8.949 1.511 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.178 10.424 1.707 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.721 9.563 2.709 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.135 10.535 3.622 1.00 0.00 C ATOM 1365 C GLY C 9 -7.431 9.872 4.807 1.00 0.00 C ATOM 1366 O GLY C 9 -6.903 10.569 5.673 1.00 0.00 O ATOM 0 H GLY C 9 -8.062 9.189 2.026 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.421 11.155 3.079 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.916 11.199 3.992 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.415 8.534 4.854 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.786 7.788 5.939 1.00 0.00 C ATOM 1372 C GLU C 10 -5.524 7.077 5.432 1.00 0.00 C ATOM 1373 O GLU C 10 -5.169 7.208 4.261 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.814 6.824 6.538 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.020 7.605 7.064 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.144 6.696 7.570 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.144 5.496 7.213 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -11.003 7.220 8.312 1.00 0.00 O ATOM 0 H GLU C 10 -7.839 7.943 4.139 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.461 8.463 6.731 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.136 6.107 5.782 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.360 6.252 7.347 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.697 8.260 7.873 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.406 8.245 6.271 1.00 0.00 H new ATOM 1385 N SER C 11 -4.838 6.322 6.303 1.00 0.00 N ATOM 1386 CA SER C 11 -3.528 5.770 5.973 1.00 0.00 C ATOM 1387 C SER C 11 -3.294 4.368 6.543 1.00 0.00 C ATOM 1388 O SER C 11 -4.060 3.879 7.373 1.00 0.00 O ATOM 1389 CB SER C 11 -2.444 6.710 6.511 1.00 0.00 C ATOM 1390 OG SER C 11 -2.602 8.008 5.979 1.00 0.00 O ATOM 0 H SER C 11 -5.172 6.084 7.237 1.00 0.00 H new ATOM 0 HA SER C 11 -3.485 5.683 4.887 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.496 6.748 7.599 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.458 6.323 6.252 1.00 0.00 H new ATOM 0 HG SER C 11 -1.902 8.595 6.335 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.215 3.733 6.074 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.748 2.415 6.493 1.00 0.00 C ATOM 1398 C ILE C 12 -0.216 2.479 6.514 1.00 0.00 C ATOM 1399 O ILE C 12 0.362 3.401 5.945 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.279 1.332 5.528 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.812 1.422 5.433 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.870 -0.075 5.983 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.396 0.412 4.445 1.00 0.00 C ATOM 0 H ILE C 12 -1.618 4.147 5.358 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.118 2.147 7.483 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.839 1.512 4.547 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.245 1.253 6.419 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.096 2.429 5.129 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.260 -0.812 5.281 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.783 -0.145 6.016 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.276 -0.269 6.976 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.481 0.517 4.416 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.987 0.596 3.452 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.138 -0.598 4.762 1.00 0.00 H new ATOM 1415 N ASN C 13 0.469 1.524 7.151 1.00 0.00 N ATOM 1416 CA ASN C 13 1.915 1.608 7.330 1.00 0.00 C ATOM 1417 C ASN C 13 2.600 0.257 7.155 1.00 0.00 C ATOM 1418 O ASN C 13 1.989 -0.790 7.363 1.00 0.00 O ATOM 1419 CB ASN C 13 2.208 2.168 8.722 1.00 0.00 C ATOM 1420 CG ASN C 13 1.487 3.490 8.957 1.00 0.00 C ATOM 1421 OD1 ASN C 13 0.316 3.505 9.322 1.00 0.00 O ATOM 1422 ND2 ASN C 13 2.163 4.614 8.756 1.00 0.00 N ATOM 0 H ASN C 13 0.043 0.687 7.549 1.00 0.00 H new ATOM 0 HA ASN C 13 2.315 2.268 6.560 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.900 1.445 9.478 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.282 2.313 8.838 1.00 0.00 H new ATOM 0 HD21 ASN C 13 1.710 5.515 8.905 1.00 0.00 H new ATOM 0 HD22 ASN C 13 3.136 4.577 8.453 1.00 0.00 H new ATOM 1429 N ILE C 14 3.880 0.290 6.761 1.00 0.00 N ATOM 1430 CA ILE C 14 4.697 -0.905 6.558 1.00 0.00 C ATOM 1431 C ILE C 14 6.115 -0.632 7.058 1.00 0.00 C ATOM 1432 O ILE C 14 6.586 0.506 7.029 1.00 0.00 O ATOM 1433 CB ILE C 14 4.713 -1.304 5.069 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.279 -1.437 4.529 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.467 -2.628 4.880 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.245 -1.829 3.052 1.00 0.00 C ATOM 0 H ILE C 14 4.379 1.159 6.573 1.00 0.00 H new ATOM 0 HA ILE C 14 4.270 -1.735 7.121 1.00 0.00 H new ATOM 0 HB ILE C 14 5.226 -0.521 4.511 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.742 -2.185 5.113 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.754 -0.491 4.663 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.470 -2.897 3.824 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.493 -2.515 5.229 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.973 -3.413 5.453 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.210 -1.910 2.721 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.757 -1.069 2.462 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.744 -2.789 2.919 1.00 0.00 H new ATOM 1448 N GLY C 15 6.802 -1.682 7.519 1.00 0.00 N ATOM 1449 CA GLY C 15 8.152 -1.570 8.040 1.00 0.00 C ATOM 1450 C GLY C 15 8.223 -0.500 9.123 1.00 0.00 C ATOM 1451 O GLY C 15 7.317 -0.384 9.946 1.00 0.00 O ATOM 0 H GLY C 15 6.430 -2.631 7.538 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.471 -2.529 8.448 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.840 -1.323 7.232 1.00 0.00 H new ATOM 1455 N ASP C 16 9.304 0.284 9.110 1.00 0.00 N ATOM 1456 CA ASP C 16 9.503 1.383 10.039 1.00 0.00 C ATOM 1457 C ASP C 16 9.875 2.650 9.268 1.00 0.00 C ATOM 1458 O ASP C 16 10.274 3.647 9.868 1.00 0.00 O ATOM 1459 CB ASP C 16 10.581 1.001 11.052 1.00 0.00 C ATOM 1460 CG ASP C 16 10.218 -0.273 11.810 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.317 -0.194 12.673 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.845 -1.317 11.518 1.00 0.00 O ATOM 0 H ASP C 16 10.069 0.167 8.445 1.00 0.00 H new ATOM 0 HA ASP C 16 8.581 1.585 10.585 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.531 0.859 10.536 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.721 1.818 11.760 1.00 0.00 H new ATOM 1467 N ASP C 17 9.742 2.610 7.936 1.00 0.00 N ATOM 1468 CA ASP C 17 10.100 3.716 7.061 1.00 0.00 C ATOM 1469 C ASP C 17 9.125 3.839 5.888 1.00 0.00 C ATOM 1470 O ASP C 17 9.407 4.585 4.949 1.00 0.00 O ATOM 1471 CB ASP C 17 11.522 3.517 6.529 1.00 0.00 C ATOM 1472 CG ASP C 17 12.556 3.411 7.648 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.990 4.481 8.137 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.906 2.262 8.008 1.00 0.00 O ATOM 0 H ASP C 17 9.379 1.797 7.438 1.00 0.00 H new ATOM 0 HA ASP C 17 10.048 4.636 7.643 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.556 2.613 5.921 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.782 4.350 5.876 1.00 0.00 H new ATOM 1479 N ILE C 18 7.988 3.130 5.913 1.00 0.00 N ATOM 1480 CA ILE C 18 7.036 3.189 4.807 1.00 0.00 C ATOM 1481 C ILE C 18 5.624 3.475 5.317 1.00 0.00 C ATOM 1482 O ILE C 18 5.223 3.008 6.383 1.00 0.00 O ATOM 1483 CB ILE C 18 7.057 1.886 3.990 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.461 1.549 3.470 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.105 2.016 2.796 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.176 0.601 4.438 1.00 0.00 C ATOM 0 H ILE C 18 7.711 2.517 6.680 1.00 0.00 H new ATOM 0 HA ILE C 18 7.338 4.007 4.153 1.00 0.00 H new ATOM 0 HB ILE C 18 6.741 1.081 4.653 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.390 1.087 2.485 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.041 2.464 3.352 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.120 1.093 2.217 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.093 2.202 3.156 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.424 2.845 2.165 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.170 0.372 4.055 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.264 1.077 5.415 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.603 -0.321 4.534 1.00 0.00 H new ATOM 1498 N THR C 19 4.879 4.254 4.534 1.00 0.00 N ATOM 1499 CA THR C 19 3.496 4.606 4.819 1.00 0.00 C ATOM 1500 C THR C 19 2.716 4.596 3.509 1.00 0.00 C ATOM 1501 O THR C 19 3.291 4.730 2.429 1.00 0.00 O ATOM 1502 CB THR C 19 3.450 5.986 5.491 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.150 5.933 6.715 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.026 6.451 5.790 1.00 0.00 C ATOM 0 H THR C 19 5.230 4.664 3.668 1.00 0.00 H new ATOM 0 HA THR C 19 3.044 3.887 5.502 1.00 0.00 H new ATOM 0 HB THR C 19 3.903 6.691 4.793 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.123 6.813 7.145 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.056 7.432 6.264 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.461 6.515 4.860 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.544 5.739 6.459 1.00 0.00 H new ATOM 1512 N ILE C 20 1.395 4.436 3.605 1.00 0.00 N ATOM 1513 CA ILE C 20 0.490 4.385 2.465 1.00 0.00 C ATOM 1514 C ILE C 20 -0.695 5.293 2.772 1.00 0.00 C ATOM 1515 O ILE C 20 -1.102 5.402 3.926 1.00 0.00 O ATOM 1516 CB ILE C 20 0.007 2.939 2.261 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.166 1.958 2.046 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.980 2.857 1.088 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.897 2.175 0.720 1.00 0.00 C ATOM 0 H ILE C 20 0.917 4.336 4.501 1.00 0.00 H new ATOM 0 HA ILE C 20 0.992 4.715 1.556 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.501 2.645 3.179 1.00 0.00 H new ATOM 0 HG12 ILE C 20 1.876 2.059 2.866 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.782 0.938 2.080 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.309 1.826 0.961 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.843 3.491 1.293 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.490 3.196 0.176 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.706 1.450 0.628 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.198 2.046 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.309 3.184 0.693 1.00 0.00 H new ATOM 1531 N THR C 21 -1.249 5.941 1.747 1.00 0.00 N ATOM 1532 CA THR C 21 -2.374 6.847 1.929 1.00 0.00 C ATOM 1533 C THR C 21 -3.382 6.645 0.808 1.00 0.00 C ATOM 1534 O THR C 21 -3.005 6.394 -0.334 1.00 0.00 O ATOM 1535 CB THR C 21 -1.867 8.294 1.933 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.783 8.425 2.827 1.00 0.00 O ATOM 1537 CG2 THR C 21 -2.973 9.250 2.376 1.00 0.00 C ATOM 0 H THR C 21 -0.933 5.852 0.781 1.00 0.00 H new ATOM 0 HA THR C 21 -2.862 6.638 2.881 1.00 0.00 H new ATOM 0 HB THR C 21 -1.552 8.542 0.919 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.465 9.352 2.822 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.594 10.272 2.372 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.816 9.174 1.690 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.299 8.988 3.382 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.667 6.759 1.135 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.760 6.622 0.183 1.00 0.00 C ATOM 1547 C ILE C 22 -6.310 8.019 -0.099 1.00 0.00 C ATOM 1548 O ILE C 22 -7.202 8.505 0.596 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.787 5.609 0.717 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.104 5.596 -0.062 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.116 5.838 2.187 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.879 5.514 -1.564 1.00 0.00 C ATOM 0 H ILE C 22 -4.981 6.953 2.086 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.436 6.212 -0.773 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.295 4.645 0.586 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.707 4.747 0.261 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.671 6.497 0.171 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.845 5.098 2.516 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.208 5.743 2.782 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.531 6.838 2.316 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.841 5.507 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.299 6.376 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.336 4.599 -1.801 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.770 8.675 -1.133 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.105 10.063 -1.425 1.00 0.00 C ATOM 1566 C LEU C 23 -7.589 10.232 -1.765 1.00 0.00 C ATOM 1567 O LEU C 23 -8.171 11.277 -1.478 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.262 10.590 -2.593 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.753 10.348 -2.478 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -3.068 11.174 -3.562 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.156 10.771 -1.141 1.00 0.00 C ATOM 0 H LEU C 23 -5.098 8.261 -1.779 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.887 10.636 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.618 10.127 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.434 11.662 -2.688 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.595 9.274 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.990 11.024 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.429 10.860 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.295 12.230 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.085 10.567 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.322 11.838 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.633 10.211 -0.336 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.209 9.218 -2.377 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.625 9.269 -2.708 1.00 0.00 C ATOM 1585 C GLY C 24 -10.012 8.234 -3.756 1.00 0.00 C ATOM 1586 O GLY C 24 -9.198 7.396 -4.134 1.00 0.00 O ATOM 0 H GLY C 24 -7.745 8.352 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.213 9.105 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.874 10.265 -3.075 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.260 8.291 -4.233 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.747 7.375 -5.262 1.00 0.00 C ATOM 1592 C VAL C 25 -12.515 8.127 -6.344 1.00 0.00 C ATOM 1593 O VAL C 25 -12.926 9.271 -6.152 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.640 6.280 -4.654 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.965 5.619 -3.456 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.997 6.839 -4.227 1.00 0.00 C ATOM 0 H VAL C 25 -11.954 8.969 -3.918 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.876 6.901 -5.715 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.797 5.532 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.620 4.850 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -11.026 5.165 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.766 6.369 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.603 6.039 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.850 7.619 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.507 7.258 -5.094 1.00 0.00 H new ATOM 1606 N SER C 26 -12.705 7.470 -7.490 1.00 0.00 N ATOM 1607 CA SER C 26 -13.476 7.994 -8.609 1.00 0.00 C ATOM 1608 C SER C 26 -14.079 6.819 -9.369 1.00 0.00 C ATOM 1609 O SER C 26 -13.475 6.293 -10.303 1.00 0.00 O ATOM 1610 CB SER C 26 -12.570 8.834 -9.508 1.00 0.00 C ATOM 1611 OG SER C 26 -13.329 9.423 -10.543 1.00 0.00 O ATOM 0 H SER C 26 -12.319 6.542 -7.665 1.00 0.00 H new ATOM 0 HA SER C 26 -14.281 8.638 -8.256 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.078 9.609 -8.920 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.784 8.209 -9.932 1.00 0.00 H new ATOM 0 HG SER C 26 -12.742 9.961 -11.114 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.285 6.399 -8.971 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.939 5.257 -9.590 1.00 0.00 C ATOM 1619 C GLY C 27 -15.262 3.962 -9.147 1.00 0.00 C ATOM 1620 O GLY C 27 -15.491 3.499 -8.032 1.00 0.00 O ATOM 0 H GLY C 27 -15.822 6.837 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.993 5.238 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.895 5.347 -10.675 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.427 3.382 -10.020 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.664 2.189 -9.685 1.00 0.00 C ATOM 1626 C GLN C 28 -12.206 2.547 -9.455 1.00 0.00 C ATOM 1627 O GLN C 28 -11.472 1.772 -8.846 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.726 1.158 -10.814 1.00 0.00 C ATOM 1629 CG GLN C 28 -15.131 0.567 -10.972 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.778 0.226 -9.633 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.833 0.754 -9.298 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.160 -0.658 -8.851 1.00 0.00 N ATOM 0 H GLN C 28 -14.268 3.728 -10.966 1.00 0.00 H new ATOM 0 HA GLN C 28 -14.102 1.766 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.422 1.626 -11.750 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -13.015 0.356 -10.613 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.762 1.278 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.076 -0.333 -11.584 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.283 -1.082 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -15.564 -0.911 -7.949 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.782 3.714 -9.937 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.434 4.178 -9.704 1.00 0.00 C ATOM 1643 C GLN C 29 -10.304 4.568 -8.242 1.00 0.00 C ATOM 1644 O GLN C 29 -11.248 5.048 -7.621 1.00 0.00 O ATOM 1645 CB GLN C 29 -10.122 5.352 -10.626 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.895 4.869 -12.058 1.00 0.00 C ATOM 1647 CD GLN C 29 -9.670 6.025 -13.023 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -10.395 7.016 -13.013 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -8.654 5.907 -13.871 1.00 0.00 N ATOM 0 H GLN C 29 -12.359 4.348 -10.490 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.715 3.389 -9.924 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.945 6.067 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.235 5.876 -10.269 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.032 4.203 -12.083 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.757 4.287 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -8.070 5.071 -13.854 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -8.458 6.653 -14.539 1.00 0.00 H new ATOM 1658 N VAL C 30 -9.104 4.356 -7.712 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.744 4.630 -6.339 1.00 0.00 C ATOM 1660 C VAL C 30 -7.389 5.309 -6.408 1.00 0.00 C ATOM 1661 O VAL C 30 -6.407 4.694 -6.818 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.686 3.308 -5.565 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.269 3.537 -4.120 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -10.053 2.626 -5.560 1.00 0.00 C ATOM 0 H VAL C 30 -8.330 3.973 -8.255 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.462 5.267 -5.822 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.952 2.676 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.236 2.582 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.282 3.999 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.990 4.194 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.990 1.690 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.784 3.280 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.361 2.421 -6.585 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.330 6.582 -6.011 1.00 0.00 N ATOM 1675 CA ARG C 31 -6.095 7.336 -6.066 1.00 0.00 C ATOM 1676 C ARG C 31 -5.355 7.105 -4.761 1.00 0.00 C ATOM 1677 O ARG C 31 -5.912 7.306 -3.681 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.392 8.813 -6.315 1.00 0.00 C ATOM 1679 CG ARG C 31 -5.136 9.486 -6.865 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.436 10.929 -7.259 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.360 11.469 -8.101 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.375 12.261 -7.674 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -3.308 12.649 -6.403 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -2.448 12.679 -8.527 1.00 0.00 N ATOM 0 H ARG C 31 -8.128 7.104 -5.649 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.466 7.005 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.215 8.918 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.703 9.296 -5.389 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.346 9.464 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -4.769 8.934 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -6.383 10.976 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -5.546 11.541 -6.364 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.367 11.219 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.017 12.341 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.548 13.255 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.490 12.395 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -1.694 13.285 -8.204 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.099 6.680 -4.862 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.339 6.203 -3.721 1.00 0.00 C ATOM 1700 C ILE C 32 -1.990 6.900 -3.688 1.00 0.00 C ATOM 1701 O ILE C 32 -1.493 7.352 -4.717 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.154 4.677 -3.819 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.446 4.005 -4.309 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.734 4.103 -2.463 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.365 2.474 -4.286 1.00 0.00 C ATOM 0 H ILE C 32 -3.582 6.658 -5.741 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.878 6.429 -2.801 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.365 4.472 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.278 4.330 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.661 4.338 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.607 3.024 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.792 4.556 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.503 4.321 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.306 2.054 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.552 2.143 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.179 2.135 -3.267 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.398 6.982 -2.496 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.081 7.550 -2.305 1.00 0.00 C ATOM 1719 C GLY C 33 0.779 6.564 -1.529 1.00 0.00 C ATOM 1720 O GLY C 33 0.266 5.714 -0.802 1.00 0.00 O ATOM 0 H GLY C 33 -1.831 6.651 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.377 7.770 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.153 8.493 -1.763 1.00 0.00 H new ATOM 1724 N ILE C 34 2.094 6.691 -1.689 1.00 0.00 N ATOM 1725 CA ILE C 34 3.062 5.799 -1.072 1.00 0.00 C ATOM 1726 C ILE C 34 4.227 6.647 -0.608 1.00 0.00 C ATOM 1727 O ILE C 34 4.702 7.510 -1.344 1.00 0.00 O ATOM 1728 CB ILE C 34 3.537 4.753 -2.089 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.347 3.954 -2.636 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.558 3.822 -1.424 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.781 3.025 -3.767 1.00 0.00 C ATOM 0 H ILE C 34 2.518 7.425 -2.257 1.00 0.00 H new ATOM 0 HA ILE C 34 2.616 5.269 -0.230 1.00 0.00 H new ATOM 0 HB ILE C 34 4.013 5.259 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.898 3.369 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.581 4.639 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.896 3.078 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.411 4.406 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.094 3.319 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE C 34 1.917 2.472 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.207 3.614 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.529 2.325 -3.396 1.00 0.00 H new ATOM 1743 N ASN C 35 4.691 6.406 0.613 1.00 0.00 N ATOM 1744 CA ASN C 35 5.700 7.249 1.211 1.00 0.00 C ATOM 1745 C ASN C 35 6.804 6.384 1.800 1.00 0.00 C ATOM 1746 O ASN C 35 6.681 5.860 2.905 1.00 0.00 O ATOM 1747 CB ASN C 35 5.018 8.142 2.241 1.00 0.00 C ATOM 1748 CG ASN C 35 5.920 9.273 2.718 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.142 9.156 2.704 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.316 10.374 3.144 1.00 0.00 N ATOM 0 H ASN C 35 4.380 5.633 1.201 1.00 0.00 H new ATOM 0 HA ASN C 35 6.178 7.893 0.473 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.110 8.563 1.809 1.00 0.00 H new ATOM 0 HB3 ASN C 35 4.714 7.539 3.096 1.00 0.00 H new ATOM 0 HD21 ASN C 35 5.870 11.164 3.476 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.298 10.431 3.139 1.00 0.00 H new ATOM 1757 N ALA C 36 7.882 6.255 1.029 1.00 0.00 N ATOM 1758 CA ALA C 36 9.079 5.542 1.421 1.00 0.00 C ATOM 1759 C ALA C 36 10.280 6.271 0.836 1.00 0.00 C ATOM 1760 O ALA C 36 10.157 6.942 -0.192 1.00 0.00 O ATOM 1761 CB ALA C 36 9.049 4.119 0.867 1.00 0.00 C ATOM 0 H ALA C 36 7.941 6.656 0.093 1.00 0.00 H new ATOM 0 HA ALA C 36 9.140 5.499 2.508 1.00 0.00 H new ATOM 0 HB1 ALA C 36 9.954 3.592 1.168 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.177 3.595 1.258 1.00 0.00 H new ATOM 0 HB3 ALA C 36 8.994 4.153 -0.221 1.00 0.00 H new ATOM 1767 N PRO C 37 11.443 6.147 1.476 1.00 0.00 N ATOM 1768 CA PRO C 37 12.664 6.728 0.974 1.00 0.00 C ATOM 1769 C PRO C 37 13.001 6.087 -0.368 1.00 0.00 C ATOM 1770 O PRO C 37 12.636 4.942 -0.624 1.00 0.00 O ATOM 1771 CB PRO C 37 13.718 6.408 2.027 1.00 0.00 C ATOM 1772 CG PRO C 37 13.157 5.210 2.796 1.00 0.00 C ATOM 1773 CD PRO C 37 11.657 5.436 2.723 1.00 0.00 C ATOM 0 HA PRO C 37 12.595 7.803 0.809 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.676 6.168 1.566 1.00 0.00 H new ATOM 0 HB3 PRO C 37 13.886 7.258 2.688 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.446 4.264 2.338 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.513 5.188 3.826 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.115 4.491 2.736 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.304 6.018 3.574 1.00 0.00 H new ATOM 1781 N LYS C 38 13.706 6.824 -1.231 1.00 0.00 N ATOM 1782 CA LYS C 38 14.173 6.290 -2.507 1.00 0.00 C ATOM 1783 C LYS C 38 15.174 5.163 -2.283 1.00 0.00 C ATOM 1784 O LYS C 38 15.653 4.529 -3.221 1.00 0.00 O ATOM 1785 CB LYS C 38 14.793 7.419 -3.318 1.00 0.00 C ATOM 1786 CG LYS C 38 13.727 8.171 -4.110 1.00 0.00 C ATOM 1787 CD LYS C 38 12.665 8.915 -3.286 1.00 0.00 C ATOM 1788 CE LYS C 38 13.239 10.112 -2.537 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.729 11.148 -3.462 1.00 0.00 N ATOM 0 H LYS C 38 13.965 7.796 -1.065 1.00 0.00 H new ATOM 0 HA LYS C 38 13.331 5.874 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS C 38 15.311 8.109 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS C 38 15.540 7.014 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.227 8.893 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS C 38 13.219 7.459 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS C 38 11.868 9.253 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.215 8.225 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS C 38 12.473 10.536 -1.888 1.00 0.00 H new ATOM 0 HE3 LYS C 38 14.055 9.782 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 13.890 12.032 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 14.621 10.834 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 13.022 11.311 -4.207 1.00 0.00 H new ATOM 1803 N ASP C 39 15.471 4.940 -1.010 1.00 0.00 N ATOM 1804 CA ASP C 39 16.286 3.850 -0.499 1.00 0.00 C ATOM 1805 C ASP C 39 15.652 2.480 -0.755 1.00 0.00 C ATOM 1806 O ASP C 39 16.308 1.456 -0.580 1.00 0.00 O ATOM 1807 CB ASP C 39 16.432 4.043 1.010 1.00 0.00 C ATOM 1808 CG ASP C 39 17.618 3.261 1.569 1.00 0.00 C ATOM 1809 OD1 ASP C 39 18.753 3.534 1.119 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.384 2.399 2.445 1.00 0.00 O ATOM 0 H ASP C 39 15.130 5.549 -0.266 1.00 0.00 H new ATOM 0 HA ASP C 39 17.248 3.870 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.559 5.103 1.230 1.00 0.00 H new ATOM 0 HB3 ASP C 39 15.517 3.721 1.508 1.00 0.00 H new ATOM 1815 N VAL C 40 14.381 2.461 -1.171 1.00 0.00 N ATOM 1816 CA VAL C 40 13.653 1.235 -1.472 1.00 0.00 C ATOM 1817 C VAL C 40 12.931 1.409 -2.806 1.00 0.00 C ATOM 1818 O VAL C 40 12.842 2.524 -3.316 1.00 0.00 O ATOM 1819 CB VAL C 40 12.661 0.905 -0.345 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.358 0.938 1.016 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.490 1.883 -0.310 1.00 0.00 C ATOM 0 H VAL C 40 13.828 3.307 -1.308 1.00 0.00 H new ATOM 0 HA VAL C 40 14.350 0.400 -1.546 1.00 0.00 H new ATOM 0 HB VAL C 40 12.280 -0.096 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.638 0.702 1.799 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.164 0.204 1.030 1.00 0.00 H new ATOM 0 HG13 VAL C 40 13.770 1.932 1.190 1.00 0.00 H new ATOM 0 HG21 VAL C 40 10.814 1.612 0.501 1.00 0.00 H new ATOM 0 HG22 VAL C 40 11.865 2.894 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL C 40 10.954 1.842 -1.258 1.00 0.00 H new ATOM 1831 N ALA C 41 12.412 0.321 -3.376 1.00 0.00 N ATOM 1832 CA ALA C 41 11.768 0.387 -4.678 1.00 0.00 C ATOM 1833 C ALA C 41 10.248 0.399 -4.548 1.00 0.00 C ATOM 1834 O ALA C 41 9.700 -0.133 -3.585 1.00 0.00 O ATOM 1835 CB ALA C 41 12.225 -0.804 -5.515 1.00 0.00 C ATOM 0 H ALA C 41 12.427 -0.608 -2.956 1.00 0.00 H new ATOM 0 HA ALA C 41 12.056 1.316 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.748 -0.765 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.308 -0.769 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.946 -1.730 -5.012 1.00 0.00 H new ATOM 1841 N VAL C 42 9.564 1.004 -5.523 1.00 0.00 N ATOM 1842 CA VAL C 42 8.108 0.970 -5.617 1.00 0.00 C ATOM 1843 C VAL C 42 7.686 1.293 -7.046 1.00 0.00 C ATOM 1844 O VAL C 42 8.096 2.312 -7.599 1.00 0.00 O ATOM 1845 CB VAL C 42 7.474 1.931 -4.595 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.269 3.227 -4.450 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.039 2.291 -4.970 1.00 0.00 C ATOM 0 H VAL C 42 10.010 1.533 -6.272 1.00 0.00 H new ATOM 0 HA VAL C 42 7.748 -0.030 -5.374 1.00 0.00 H new ATOM 0 HB VAL C 42 7.483 1.395 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.783 3.872 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.281 2.998 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.312 3.737 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.628 2.971 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.029 2.775 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.435 1.385 -5.008 1.00 0.00 H new ATOM 1857 N HIS C 43 6.865 0.423 -7.643 1.00 0.00 N ATOM 1858 CA HIS C 43 6.386 0.603 -9.009 1.00 0.00 C ATOM 1859 C HIS C 43 5.048 -0.110 -9.204 1.00 0.00 C ATOM 1860 O HIS C 43 4.609 -0.854 -8.327 1.00 0.00 O ATOM 1861 CB HIS C 43 7.387 0.015 -10.009 1.00 0.00 C ATOM 1862 CG HIS C 43 8.839 0.244 -9.676 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.617 1.308 -10.134 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.601 -0.562 -8.880 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.835 1.112 -9.600 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.855 -0.001 -8.846 1.00 0.00 N ATOM 0 H HIS C 43 6.517 -0.422 -7.191 1.00 0.00 H new ATOM 0 HA HIS C 43 6.269 1.673 -9.181 1.00 0.00 H new ATOM 0 HB2 HIS C 43 7.213 -1.058 -10.084 1.00 0.00 H new ATOM 0 HB3 HIS C 43 7.185 0.440 -10.992 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.324 2.071 -10.744 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.281 -1.462 -8.377 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.684 1.761 -9.756 1.00 0.00 H new ATOM 1874 N ARG C 44 4.408 0.116 -10.355 1.00 0.00 N ATOM 1875 CA ARG C 44 3.190 -0.584 -10.729 1.00 0.00 C ATOM 1876 C ARG C 44 3.554 -2.044 -10.974 1.00 0.00 C ATOM 1877 O ARG C 44 4.702 -2.343 -11.309 1.00 0.00 O ATOM 1878 CB ARG C 44 2.607 0.085 -11.979 1.00 0.00 C ATOM 1879 CG ARG C 44 1.296 -0.557 -12.438 1.00 0.00 C ATOM 1880 CD ARG C 44 0.803 0.148 -13.703 1.00 0.00 C ATOM 1881 NE ARG C 44 -0.399 -0.503 -14.236 1.00 0.00 N ATOM 1882 CZ ARG C 44 -1.065 -0.075 -15.314 1.00 0.00 C ATOM 1883 NH1 ARG C 44 -0.668 1.006 -15.976 1.00 0.00 N ATOM 1884 NH2 ARG C 44 -2.143 -0.730 -15.734 1.00 0.00 N ATOM 0 H ARG C 44 4.726 0.792 -11.050 1.00 0.00 H new ATOM 0 HA ARG C 44 2.432 -0.541 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG C 44 2.436 1.142 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG C 44 3.336 0.031 -12.788 1.00 0.00 H new ATOM 0 HG2 ARG C 44 1.447 -1.618 -12.635 1.00 0.00 H new ATOM 0 HG3 ARG C 44 0.546 -0.482 -11.651 1.00 0.00 H new ATOM 0 HD2 ARG C 44 0.586 1.193 -13.480 1.00 0.00 H new ATOM 0 HD3 ARG C 44 1.590 0.140 -14.458 1.00 0.00 H new ATOM 0 HE ARG C 44 -0.748 -1.332 -13.755 1.00 0.00 H new ATOM 0 HH11 ARG C 44 0.155 1.522 -15.664 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -1.186 1.320 -16.796 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -2.463 -1.560 -15.234 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -2.650 -0.403 -16.556 1.00 0.00 H new ATOM 1898 N GLU C 45 2.596 -2.958 -10.820 1.00 0.00 N ATOM 1899 CA GLU C 45 2.869 -4.372 -11.022 1.00 0.00 C ATOM 1900 C GLU C 45 3.369 -4.629 -12.450 1.00 0.00 C ATOM 1901 O GLU C 45 4.011 -5.641 -12.722 1.00 0.00 O ATOM 1902 CB GLU C 45 1.599 -5.155 -10.678 1.00 0.00 C ATOM 1903 CG GLU C 45 1.821 -6.661 -10.486 1.00 0.00 C ATOM 1904 CD GLU C 45 2.026 -7.431 -11.782 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.300 -7.140 -12.756 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.914 -8.314 -11.782 1.00 0.00 O ATOM 0 H GLU C 45 1.634 -2.743 -10.558 1.00 0.00 H new ATOM 0 HA GLU C 45 3.670 -4.712 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.168 -4.743 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.867 -5.005 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.691 -6.810 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.963 -7.079 -9.960 1.00 0.00 H new ATOM 1913 N GLU C 46 3.073 -3.701 -13.366 1.00 0.00 N ATOM 1914 CA GLU C 46 3.516 -3.774 -14.746 1.00 0.00 C ATOM 1915 C GLU C 46 5.030 -3.582 -14.836 1.00 0.00 C ATOM 1916 O GLU C 46 5.722 -4.359 -15.490 1.00 0.00 O ATOM 1917 CB GLU C 46 2.813 -2.653 -15.518 1.00 0.00 C ATOM 1918 CG GLU C 46 3.101 -2.719 -17.018 1.00 0.00 C ATOM 1919 CD GLU C 46 2.509 -3.975 -17.657 1.00 0.00 C ATOM 1920 OE1 GLU C 46 1.296 -4.210 -17.458 1.00 0.00 O ATOM 1921 OE2 GLU C 46 3.275 -4.692 -18.342 1.00 0.00 O ATOM 0 H GLU C 46 2.513 -2.874 -13.160 1.00 0.00 H new ATOM 0 HA GLU C 46 3.273 -4.751 -15.164 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.738 -2.719 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU C 46 3.137 -1.688 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU C 46 2.690 -1.835 -17.506 1.00 0.00 H new ATOM 0 HG3 GLU C 46 4.178 -2.702 -17.182 1.00 0.00 H new ATOM 1928 N ILE C 47 5.546 -2.546 -14.171 1.00 0.00 N ATOM 1929 CA ILE C 47 6.950 -2.178 -14.271 1.00 0.00 C ATOM 1930 C ILE C 47 7.807 -3.120 -13.433 1.00 0.00 C ATOM 1931 O ILE C 47 8.988 -3.315 -13.713 1.00 0.00 O ATOM 1932 CB ILE C 47 7.125 -0.737 -13.770 1.00 0.00 C ATOM 1933 CG1 ILE C 47 6.045 0.216 -14.298 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.512 -0.209 -14.146 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.895 0.197 -15.820 1.00 0.00 C ATOM 0 H ILE C 47 5.001 -1.945 -13.553 1.00 0.00 H new ATOM 0 HA ILE C 47 7.268 -2.252 -15.311 1.00 0.00 H new ATOM 0 HB ILE C 47 7.021 -0.770 -12.685 1.00 0.00 H new ATOM 0 HG12 ILE C 47 5.089 -0.046 -13.845 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.281 1.231 -13.978 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.622 0.813 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE C 47 9.277 -0.839 -13.692 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.626 -0.225 -15.230 1.00 0.00 H new ATOM 0 HD11 ILE C 47 5.113 0.896 -16.117 1.00 0.00 H new ATOM 0 HD12 ILE C 47 6.838 0.489 -16.282 1.00 0.00 H new ATOM 0 HD13 ILE C 47 5.627 -0.808 -16.147 1.00 0.00 H new ATOM 1947 N TYR C 48 7.210 -3.709 -12.398 1.00 0.00 N ATOM 1948 CA TYR C 48 7.893 -4.606 -11.481 1.00 0.00 C ATOM 1949 C TYR C 48 8.436 -5.844 -12.190 1.00 0.00 C ATOM 1950 O TYR C 48 9.436 -6.418 -11.759 1.00 0.00 O ATOM 1951 CB TYR C 48 6.884 -4.995 -10.402 1.00 0.00 C ATOM 1952 CG TYR C 48 7.427 -5.878 -9.309 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.197 -5.327 -8.272 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.155 -7.252 -9.330 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.661 -6.140 -7.231 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.606 -8.071 -8.288 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.351 -7.517 -7.225 1.00 0.00 C ATOM 1958 OH TYR C 48 8.777 -8.312 -6.203 1.00 0.00 O ATOM 0 H TYR C 48 6.224 -3.571 -12.174 1.00 0.00 H new ATOM 0 HA TYR C 48 8.758 -4.105 -11.046 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.489 -4.085 -9.950 1.00 0.00 H new ATOM 0 HB3 TYR C 48 6.046 -5.505 -10.877 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.432 -4.273 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.597 -7.680 -10.150 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.254 -5.715 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.384 -9.128 -8.298 1.00 0.00 H new ATOM 0 HH TYR C 48 8.475 -9.232 -6.356 1.00 0.00 H new