USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 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= -0.129 K(o=-0.13,f=-1.6) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -92:sc= 0.141 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.142 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.1) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.288 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0322 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00336) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.47) USER MOD Single : A 29 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc=-0.000515 (180deg=-0.141) USER MOD Single : A 43 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 178:sc= 0 (180deg=-0.00414) USER MOD Single : C 1 MET N :NH3+ 135:sc= 0.0305 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -140:sc= 1.12 (180deg=0.0694) USER MOD Single : C 26 SER OG : rot 180:sc= -0.038 USER MOD Single : C 28 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.27) USER MOD Single : C 29 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.18) USER MOD Single : C 35 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.5!) USER MOD Single : C 38 LYS NZ :NH3+ -161:sc= -0.0251 (180deg=-0.293) USER MOD Single : C 43 HIS : no HE2:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.156 10.226 -2.015 1.00 0.00 N ATOM 2 CA MET A 1 6.685 10.153 -2.109 1.00 0.00 C ATOM 3 C MET A 1 6.261 9.771 -3.521 1.00 0.00 C ATOM 4 O MET A 1 6.875 10.224 -4.478 1.00 0.00 O ATOM 5 CB MET A 1 6.067 11.501 -1.718 1.00 0.00 C ATOM 6 CG MET A 1 4.539 11.462 -1.786 1.00 0.00 C ATOM 7 SD MET A 1 3.769 10.342 -0.593 1.00 0.00 S ATOM 8 CE MET A 1 2.088 10.444 -1.240 1.00 0.00 C ATOM 0 H1 MET A 1 8.424 10.976 -1.346 1.00 0.00 H new ATOM 0 H2 MET A 1 8.528 9.314 -1.680 1.00 0.00 H new ATOM 0 H3 MET A 1 8.554 10.439 -2.952 1.00 0.00 H new ATOM 0 HA MET A 1 6.328 9.387 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.380 11.766 -0.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.441 12.280 -2.382 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.154 12.469 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.239 11.165 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.413 9.888 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.776 11.488 -1.279 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.058 10.018 -2.243 1.00 0.00 H new ATOM 20 N LEU A 2 5.224 8.946 -3.665 1.00 0.00 N ATOM 21 CA LEU A 2 4.673 8.588 -4.966 1.00 0.00 C ATOM 22 C LEU A 2 3.154 8.528 -4.893 1.00 0.00 C ATOM 23 O LEU A 2 2.590 8.282 -3.829 1.00 0.00 O ATOM 24 CB LEU A 2 5.212 7.221 -5.402 1.00 0.00 C ATOM 25 CG LEU A 2 6.300 7.315 -6.467 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.764 5.903 -6.811 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.803 7.983 -7.751 1.00 0.00 C ATOM 0 H LEU A 2 4.743 8.508 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 2 4.970 9.346 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.609 6.700 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.388 6.619 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 2 7.110 7.923 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.543 5.951 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.160 5.422 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.921 5.325 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.615 8.025 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.976 7.406 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.463 8.994 -7.527 1.00 0.00 H new ATOM 39 N ILE A 3 2.498 8.754 -6.031 1.00 0.00 N ATOM 40 CA ILE A 3 1.050 8.675 -6.144 1.00 0.00 C ATOM 41 C ILE A 3 0.718 7.952 -7.448 1.00 0.00 C ATOM 42 O ILE A 3 1.444 8.072 -8.432 1.00 0.00 O ATOM 43 CB ILE A 3 0.416 10.080 -6.094 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.601 10.777 -4.744 1.00 0.00 C ATOM 45 CG2 ILE A 3 -1.098 9.979 -6.290 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.916 11.536 -4.614 1.00 0.00 C ATOM 0 H ILE A 3 2.964 8.999 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 3 0.635 8.119 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 3 0.914 10.648 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.225 11.472 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.543 10.032 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.537 10.976 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.310 9.525 -7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.527 9.364 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.972 12.002 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.749 10.844 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.969 12.306 -5.383 1.00 0.00 H new ATOM 58 N LEU A 4 -0.384 7.199 -7.449 1.00 0.00 N ATOM 59 CA LEU A 4 -0.819 6.385 -8.574 1.00 0.00 C ATOM 60 C LEU A 4 -2.339 6.396 -8.653 1.00 0.00 C ATOM 61 O LEU A 4 -3.004 6.833 -7.717 1.00 0.00 O ATOM 62 CB LEU A 4 -0.373 4.936 -8.364 1.00 0.00 C ATOM 63 CG LEU A 4 1.139 4.719 -8.394 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.387 3.246 -8.085 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.717 5.028 -9.774 1.00 0.00 C ATOM 0 H LEU A 4 -1.010 7.141 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.384 6.790 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.757 4.588 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.830 4.315 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 4 1.616 5.380 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.459 3.047 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.984 3.008 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.895 2.629 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.795 4.864 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.258 4.374 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.511 6.067 -10.030 1.00 0.00 H new ATOM 77 N THR A 5 -2.888 5.918 -9.773 1.00 0.00 N ATOM 78 CA THR A 5 -4.326 5.727 -9.886 1.00 0.00 C ATOM 79 C THR A 5 -4.595 4.362 -10.497 1.00 0.00 C ATOM 80 O THR A 5 -4.522 4.185 -11.713 1.00 0.00 O ATOM 81 CB THR A 5 -5.016 6.831 -10.690 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.422 8.080 -10.435 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.474 6.885 -10.251 1.00 0.00 C ATOM 0 H THR A 5 -2.358 5.660 -10.606 1.00 0.00 H new ATOM 0 HA THR A 5 -4.751 5.781 -8.884 1.00 0.00 H new ATOM 0 HB THR A 5 -4.927 6.615 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.877 8.772 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.993 7.665 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.948 5.923 -10.445 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.525 7.106 -9.185 1.00 0.00 H new ATOM 91 N ARG A 6 -4.909 3.396 -9.634 1.00 0.00 N ATOM 92 CA ARG A 6 -5.233 2.032 -10.030 1.00 0.00 C ATOM 93 C ARG A 6 -6.739 1.844 -9.939 1.00 0.00 C ATOM 94 O ARG A 6 -7.442 2.764 -9.535 1.00 0.00 O ATOM 95 CB ARG A 6 -4.529 1.058 -9.077 1.00 0.00 C ATOM 96 CG ARG A 6 -3.020 1.029 -9.319 1.00 0.00 C ATOM 97 CD ARG A 6 -2.628 -0.200 -10.137 1.00 0.00 C ATOM 98 NE ARG A 6 -3.264 -0.205 -11.463 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.831 -0.941 -12.492 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.797 -1.769 -12.343 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.429 -0.847 -13.674 1.00 0.00 N ATOM 0 H ARG A 6 -4.945 3.545 -8.626 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.902 1.842 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.727 1.349 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.939 0.057 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.713 1.934 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.494 1.020 -8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.545 -0.227 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.912 -1.102 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.082 0.387 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.330 -1.844 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.473 -2.327 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.219 -0.213 -13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.099 -1.408 -14.459 1.00 0.00 H new ATOM 115 N LYS A 7 -7.242 0.667 -10.308 1.00 0.00 N ATOM 116 CA LYS A 7 -8.651 0.353 -10.109 1.00 0.00 C ATOM 117 C LYS A 7 -8.797 -1.032 -9.501 1.00 0.00 C ATOM 118 O LYS A 7 -7.829 -1.787 -9.426 1.00 0.00 O ATOM 119 CB LYS A 7 -9.489 0.503 -11.382 1.00 0.00 C ATOM 120 CG LYS A 7 -9.007 -0.369 -12.539 1.00 0.00 C ATOM 121 CD LYS A 7 -10.067 -0.321 -13.642 1.00 0.00 C ATOM 122 CE LYS A 7 -9.768 -1.318 -14.764 1.00 0.00 C ATOM 123 NZ LYS A 7 -8.526 -0.970 -15.486 1.00 0.00 N ATOM 0 H LYS A 7 -6.698 -0.078 -10.743 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.049 1.089 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.525 0.252 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.475 1.547 -11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.050 -0.008 -12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.852 -1.395 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.046 -0.538 -13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.116 0.687 -14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.677 -2.321 -14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.603 -1.339 -15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.373 -1.647 -16.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.609 -0.010 -15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.721 -1.008 -14.829 1.00 0.00 H new ATOM 137 N VAL A 8 -10.012 -1.362 -9.064 1.00 0.00 N ATOM 138 CA VAL A 8 -10.230 -2.591 -8.315 1.00 0.00 C ATOM 139 C VAL A 8 -9.782 -3.824 -9.097 1.00 0.00 C ATOM 140 O VAL A 8 -10.096 -3.981 -10.274 1.00 0.00 O ATOM 141 CB VAL A 8 -11.675 -2.694 -7.817 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.038 -1.409 -7.069 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.706 -2.904 -8.917 1.00 0.00 C ATOM 0 H VAL A 8 -10.850 -0.800 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.598 -2.553 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.708 -3.575 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.066 -1.474 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.366 -1.280 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.942 -0.557 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.701 -2.966 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.669 -2.067 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.487 -3.830 -9.449 1.00 0.00 H new ATOM 153 N GLY A 9 -9.037 -4.695 -8.411 1.00 0.00 N ATOM 154 CA GLY A 9 -8.522 -5.931 -8.984 1.00 0.00 C ATOM 155 C GLY A 9 -7.049 -5.822 -9.397 1.00 0.00 C ATOM 156 O GLY A 9 -6.418 -6.837 -9.685 1.00 0.00 O ATOM 0 H GLY A 9 -8.775 -4.557 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.633 -6.737 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.120 -6.200 -9.854 1.00 0.00 H new ATOM 160 N GLU A 10 -6.498 -4.605 -9.428 1.00 0.00 N ATOM 161 CA GLU A 10 -5.109 -4.369 -9.798 1.00 0.00 C ATOM 162 C GLU A 10 -4.184 -4.472 -8.583 1.00 0.00 C ATOM 163 O GLU A 10 -4.637 -4.749 -7.473 1.00 0.00 O ATOM 164 CB GLU A 10 -4.980 -2.990 -10.450 1.00 0.00 C ATOM 165 CG GLU A 10 -5.824 -2.889 -11.724 1.00 0.00 C ATOM 166 CD GLU A 10 -5.406 -3.927 -12.770 1.00 0.00 C ATOM 167 OE1 GLU A 10 -4.187 -4.036 -13.025 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.315 -4.597 -13.309 1.00 0.00 O ATOM 0 H GLU A 10 -7.010 -3.754 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.806 -5.137 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.293 -2.222 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.934 -2.796 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.876 -3.028 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.726 -1.889 -12.146 1.00 0.00 H new ATOM 175 N SER A 11 -2.881 -4.246 -8.791 1.00 0.00 N ATOM 176 CA SER A 11 -1.882 -4.378 -7.734 1.00 0.00 C ATOM 177 C SER A 11 -0.757 -3.350 -7.888 1.00 0.00 C ATOM 178 O SER A 11 -0.627 -2.692 -8.922 1.00 0.00 O ATOM 179 CB SER A 11 -1.292 -5.794 -7.767 1.00 0.00 C ATOM 180 OG SER A 11 -2.307 -6.753 -7.572 1.00 0.00 O ATOM 0 H SER A 11 -2.495 -3.968 -9.693 1.00 0.00 H new ATOM 0 HA SER A 11 -2.373 -4.196 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.798 -5.967 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.532 -5.897 -6.992 1.00 0.00 H new ATOM 0 HG SER A 11 -1.917 -7.652 -7.597 1.00 0.00 H new ATOM 186 N ILE A 12 0.054 -3.229 -6.833 1.00 0.00 N ATOM 187 CA ILE A 12 1.200 -2.328 -6.743 1.00 0.00 C ATOM 188 C ILE A 12 2.308 -3.087 -6.002 1.00 0.00 C ATOM 189 O ILE A 12 2.028 -4.106 -5.370 1.00 0.00 O ATOM 190 CB ILE A 12 0.798 -1.020 -6.029 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.445 -0.404 -6.694 1.00 0.00 C ATOM 192 CG2 ILE A 12 1.939 0.012 -6.022 1.00 0.00 C ATOM 193 CD1 ILE A 12 -0.953 0.834 -5.953 1.00 0.00 C ATOM 0 H ILE A 12 -0.078 -3.780 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 12 1.560 -2.033 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 12 0.572 -1.280 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.207 -0.135 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.239 -1.150 -6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.609 0.915 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.803 -0.404 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.214 0.257 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.831 1.229 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.219 0.563 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.171 1.594 -5.935 1.00 0.00 H new ATOM 205 N ASN A 13 3.556 -2.619 -6.057 1.00 0.00 N ATOM 206 CA ASN A 13 4.677 -3.326 -5.453 1.00 0.00 C ATOM 207 C ASN A 13 5.635 -2.374 -4.747 1.00 0.00 C ATOM 208 O ASN A 13 5.736 -1.197 -5.103 1.00 0.00 O ATOM 209 CB ASN A 13 5.425 -4.108 -6.532 1.00 0.00 C ATOM 210 CG ASN A 13 4.610 -5.287 -7.035 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.833 -5.161 -7.978 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.781 -6.447 -6.412 1.00 0.00 N ATOM 0 H ASN A 13 3.813 -1.746 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 13 4.279 -4.009 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.660 -3.446 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.374 -4.465 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.258 -7.270 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.435 -6.516 -5.632 1.00 0.00 H new ATOM 219 N ILE A 14 6.343 -2.908 -3.744 1.00 0.00 N ATOM 220 CA ILE A 14 7.329 -2.170 -2.968 1.00 0.00 C ATOM 221 C ILE A 14 8.513 -3.096 -2.680 1.00 0.00 C ATOM 222 O ILE A 14 8.336 -4.308 -2.538 1.00 0.00 O ATOM 223 CB ILE A 14 6.699 -1.659 -1.663 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.447 -0.824 -1.966 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.718 -0.822 -0.880 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.769 -0.304 -0.698 1.00 0.00 C ATOM 0 H ILE A 14 6.240 -3.879 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 14 7.678 -1.303 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 14 6.406 -2.516 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.721 0.020 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.738 -1.430 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.262 -0.464 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.587 -1.436 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.030 0.030 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.889 0.280 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.468 -1.146 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.466 0.325 -0.145 1.00 0.00 H new ATOM 238 N GLY A 15 9.718 -2.530 -2.591 1.00 0.00 N ATOM 239 CA GLY A 15 10.925 -3.306 -2.362 1.00 0.00 C ATOM 240 C GLY A 15 11.040 -4.414 -3.405 1.00 0.00 C ATOM 241 O GLY A 15 10.723 -4.214 -4.577 1.00 0.00 O ATOM 0 H GLY A 15 9.878 -1.526 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.799 -2.657 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.905 -3.738 -1.361 1.00 0.00 H new ATOM 245 N ASP A 16 11.499 -5.586 -2.963 1.00 0.00 N ATOM 246 CA ASP A 16 11.582 -6.774 -3.797 1.00 0.00 C ATOM 247 C ASP A 16 10.944 -7.971 -3.086 1.00 0.00 C ATOM 248 O ASP A 16 11.081 -9.108 -3.533 1.00 0.00 O ATOM 249 CB ASP A 16 13.035 -7.032 -4.206 1.00 0.00 C ATOM 250 CG ASP A 16 13.933 -7.393 -3.023 1.00 0.00 C ATOM 251 OD1 ASP A 16 14.115 -6.524 -2.141 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.434 -8.538 -3.011 1.00 0.00 O ATOM 0 H ASP A 16 11.825 -5.733 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 16 11.016 -6.616 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.063 -7.841 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.431 -6.144 -4.698 1.00 0.00 H new ATOM 257 N ASP A 17 10.242 -7.710 -1.975 1.00 0.00 N ATOM 258 CA ASP A 17 9.568 -8.725 -1.177 1.00 0.00 C ATOM 259 C ASP A 17 8.186 -8.255 -0.717 1.00 0.00 C ATOM 260 O ASP A 17 7.578 -8.909 0.131 1.00 0.00 O ATOM 261 CB ASP A 17 10.409 -9.096 0.049 1.00 0.00 C ATOM 262 CG ASP A 17 11.759 -9.693 -0.335 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.759 -10.815 -0.889 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.784 -9.024 -0.071 1.00 0.00 O ATOM 0 H ASP A 17 10.129 -6.766 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 17 9.443 -9.601 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.568 -8.208 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.859 -9.811 0.661 1.00 0.00 H new ATOM 269 N ILE A 18 7.664 -7.140 -1.250 1.00 0.00 N ATOM 270 CA ILE A 18 6.363 -6.642 -0.830 1.00 0.00 C ATOM 271 C ILE A 18 5.464 -6.383 -2.034 1.00 0.00 C ATOM 272 O ILE A 18 5.930 -5.964 -3.096 1.00 0.00 O ATOM 273 CB ILE A 18 6.503 -5.365 0.017 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.429 -5.551 1.230 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.125 -4.948 0.538 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.873 -5.182 0.872 1.00 0.00 C ATOM 0 H ILE A 18 8.124 -6.577 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 18 5.900 -7.412 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 18 6.938 -4.605 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.084 -4.929 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.387 -6.586 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.221 -4.043 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.461 -4.755 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.711 -5.748 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.511 -5.321 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.222 -5.822 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.914 -4.140 0.555 1.00 0.00 H new ATOM 288 N THR A 19 4.168 -6.640 -1.857 1.00 0.00 N ATOM 289 CA THR A 19 3.153 -6.413 -2.872 1.00 0.00 C ATOM 290 C THR A 19 1.906 -5.850 -2.197 1.00 0.00 C ATOM 291 O THR A 19 1.693 -6.061 -1.004 1.00 0.00 O ATOM 292 CB THR A 19 2.843 -7.733 -3.591 1.00 0.00 C ATOM 293 OG1 THR A 19 4.025 -8.295 -4.115 1.00 0.00 O ATOM 294 CG2 THR A 19 1.858 -7.535 -4.743 1.00 0.00 C ATOM 0 H THR A 19 3.793 -7.018 -0.987 1.00 0.00 H new ATOM 0 HA THR A 19 3.507 -5.698 -3.615 1.00 0.00 H new ATOM 0 HB THR A 19 2.397 -8.398 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.813 -9.137 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.665 -8.493 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.923 -7.129 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.282 -6.842 -5.469 1.00 0.00 H new ATOM 302 N ILE A 20 1.086 -5.131 -2.965 1.00 0.00 N ATOM 303 CA ILE A 20 -0.145 -4.511 -2.496 1.00 0.00 C ATOM 304 C ILE A 20 -1.234 -4.806 -3.517 1.00 0.00 C ATOM 305 O ILE A 20 -0.947 -4.931 -4.707 1.00 0.00 O ATOM 306 CB ILE A 20 0.067 -2.996 -2.365 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.221 -2.640 -1.416 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.220 -2.310 -1.900 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.932 -2.992 0.044 1.00 0.00 C ATOM 0 H ILE A 20 1.268 -4.962 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.433 -4.905 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 20 0.337 -2.632 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.122 -3.163 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.428 -1.573 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.049 -1.237 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.013 -2.494 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.516 -2.710 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.787 -2.715 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.049 -2.448 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.753 -4.064 0.131 1.00 0.00 H new ATOM 321 N THR A 21 -2.483 -4.915 -3.058 1.00 0.00 N ATOM 322 CA THR A 21 -3.599 -5.227 -3.940 1.00 0.00 C ATOM 323 C THR A 21 -4.820 -4.410 -3.536 1.00 0.00 C ATOM 324 O THR A 21 -5.026 -4.135 -2.356 1.00 0.00 O ATOM 325 CB THR A 21 -3.918 -6.725 -3.857 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.743 -7.492 -4.025 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.916 -7.143 -4.935 1.00 0.00 C ATOM 0 H THR A 21 -2.742 -4.791 -2.079 1.00 0.00 H new ATOM 0 HA THR A 21 -3.329 -4.976 -4.966 1.00 0.00 H new ATOM 0 HB THR A 21 -4.350 -6.904 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.964 -8.445 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.120 -8.210 -4.848 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.844 -6.585 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.498 -6.933 -5.919 1.00 0.00 H new ATOM 335 N ILE A 22 -5.632 -4.027 -4.519 1.00 0.00 N ATOM 336 CA ILE A 22 -6.869 -3.299 -4.287 1.00 0.00 C ATOM 337 C ILE A 22 -8.032 -4.269 -4.493 1.00 0.00 C ATOM 338 O ILE A 22 -8.479 -4.488 -5.621 1.00 0.00 O ATOM 339 CB ILE A 22 -6.917 -2.046 -5.183 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.311 -1.414 -5.241 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.467 -2.326 -6.617 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.785 -0.996 -3.859 1.00 0.00 C ATOM 0 H ILE A 22 -5.445 -4.216 -5.504 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.937 -2.923 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.221 -1.351 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.292 -0.546 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.017 -2.124 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.522 -1.408 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.440 -2.692 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.118 -3.079 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.777 -0.551 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.827 -1.870 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.091 -0.267 -3.441 1.00 0.00 H new ATOM 354 N LEU A 23 -8.532 -4.860 -3.402 1.00 0.00 N ATOM 355 CA LEU A 23 -9.571 -5.879 -3.493 1.00 0.00 C ATOM 356 C LEU A 23 -10.890 -5.291 -4.002 1.00 0.00 C ATOM 357 O LEU A 23 -11.675 -6.005 -4.627 1.00 0.00 O ATOM 358 CB LEU A 23 -9.798 -6.565 -2.140 1.00 0.00 C ATOM 359 CG LEU A 23 -8.541 -7.106 -1.442 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.957 -8.114 -0.371 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.585 -7.815 -2.394 1.00 0.00 C ATOM 0 H LEU A 23 -8.232 -4.648 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.223 -6.623 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.284 -5.854 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.493 -7.392 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.024 -6.244 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.069 -8.502 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.599 -7.624 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.500 -8.937 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.718 -8.173 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.094 -8.660 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.259 -7.119 -3.167 1.00 0.00 H new ATOM 373 N GLY A 24 -11.148 -4.002 -3.742 1.00 0.00 N ATOM 374 CA GLY A 24 -12.349 -3.335 -4.242 1.00 0.00 C ATOM 375 C GLY A 24 -12.717 -2.094 -3.437 1.00 0.00 C ATOM 376 O GLY A 24 -11.947 -1.658 -2.586 1.00 0.00 O ATOM 0 H GLY A 24 -10.537 -3.403 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.195 -3.054 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.183 -4.036 -4.221 1.00 0.00 H new ATOM 380 N VAL A 25 -13.897 -1.524 -3.702 1.00 0.00 N ATOM 381 CA VAL A 25 -14.372 -0.341 -2.978 1.00 0.00 C ATOM 382 C VAL A 25 -15.844 -0.474 -2.597 1.00 0.00 C ATOM 383 O VAL A 25 -16.559 -1.314 -3.139 1.00 0.00 O ATOM 384 CB VAL A 25 -14.172 0.938 -3.803 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.758 1.033 -4.372 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.182 1.037 -4.949 1.00 0.00 C ATOM 0 H VAL A 25 -14.542 -1.864 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.778 -0.270 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.332 1.769 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.659 1.952 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.037 1.038 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.568 0.177 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.008 1.956 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.065 0.180 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.193 1.046 -4.543 1.00 0.00 H new ATOM 396 N SER A 26 -16.285 0.366 -1.661 1.00 0.00 N ATOM 397 CA SER A 26 -17.673 0.439 -1.223 1.00 0.00 C ATOM 398 C SER A 26 -17.964 1.856 -0.728 1.00 0.00 C ATOM 399 O SER A 26 -17.796 2.149 0.452 1.00 0.00 O ATOM 400 CB SER A 26 -17.918 -0.596 -0.119 1.00 0.00 C ATOM 401 OG SER A 26 -19.280 -0.586 0.257 1.00 0.00 O ATOM 0 H SER A 26 -15.674 1.026 -1.179 1.00 0.00 H new ATOM 0 HA SER A 26 -18.344 0.214 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.636 -1.589 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.292 -0.374 0.745 1.00 0.00 H new ATOM 0 HG SER A 26 -19.430 -1.251 0.961 1.00 0.00 H new ATOM 407 N GLY A 27 -18.404 2.739 -1.632 1.00 0.00 N ATOM 408 CA GLY A 27 -18.718 4.117 -1.281 1.00 0.00 C ATOM 409 C GLY A 27 -17.450 4.935 -1.083 1.00 0.00 C ATOM 410 O GLY A 27 -16.957 5.549 -2.027 1.00 0.00 O ATOM 0 H GLY A 27 -18.549 2.516 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.325 4.566 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.313 4.136 -0.368 1.00 0.00 H new ATOM 414 N GLN A 28 -16.922 4.939 0.145 1.00 0.00 N ATOM 415 CA GLN A 28 -15.645 5.577 0.452 1.00 0.00 C ATOM 416 C GLN A 28 -14.663 4.546 0.969 1.00 0.00 C ATOM 417 O GLN A 28 -13.459 4.788 0.932 1.00 0.00 O ATOM 418 CB GLN A 28 -15.793 6.639 1.543 1.00 0.00 C ATOM 419 CG GLN A 28 -16.658 7.837 1.164 1.00 0.00 C ATOM 420 CD GLN A 28 -16.076 8.656 0.014 1.00 0.00 C ATOM 421 OE1 GLN A 28 -15.563 9.752 0.227 1.00 0.00 O ATOM 422 NE2 GLN A 28 -16.142 8.146 -1.216 1.00 0.00 N ATOM 0 H GLN A 28 -17.369 4.500 0.950 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.292 6.039 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.218 6.170 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.801 6.998 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.652 7.486 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.779 8.480 2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.573 7.234 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.762 8.668 -2.006 1.00 0.00 H new ATOM 431 N GLN A 29 -15.155 3.403 1.450 1.00 0.00 N ATOM 432 CA GLN A 29 -14.253 2.373 1.921 1.00 0.00 C ATOM 433 C GLN A 29 -13.571 1.757 0.711 1.00 0.00 C ATOM 434 O GLN A 29 -14.135 1.700 -0.384 1.00 0.00 O ATOM 435 CB GLN A 29 -14.974 1.308 2.752 1.00 0.00 C ATOM 436 CG GLN A 29 -15.455 1.842 4.093 1.00 0.00 C ATOM 437 CD GLN A 29 -16.530 2.897 3.933 1.00 0.00 C ATOM 438 OE1 GLN A 29 -17.593 2.649 3.374 1.00 0.00 O ATOM 439 NE2 GLN A 29 -16.251 4.092 4.429 1.00 0.00 N ATOM 0 H GLN A 29 -16.147 3.178 1.520 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.513 2.820 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.827 0.928 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.302 0.466 2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.842 1.018 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.611 2.265 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.355 4.258 4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.932 4.847 4.353 1.00 0.00 H new ATOM 448 N VAL A 30 -12.347 1.298 0.924 1.00 0.00 N ATOM 449 CA VAL A 30 -11.507 0.715 -0.095 1.00 0.00 C ATOM 450 C VAL A 30 -10.870 -0.499 0.550 1.00 0.00 C ATOM 451 O VAL A 30 -10.040 -0.354 1.446 1.00 0.00 O ATOM 452 CB VAL A 30 -10.456 1.744 -0.532 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.542 1.164 -1.599 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.121 2.993 -1.116 1.00 0.00 C ATOM 0 H VAL A 30 -11.903 1.325 1.842 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.060 0.427 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.880 2.007 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.805 1.912 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.030 0.287 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.134 0.877 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.354 3.706 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.719 2.715 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.764 3.449 -0.363 1.00 0.00 H new ATOM 464 N ARG A 31 -11.260 -1.695 0.109 1.00 0.00 N ATOM 465 CA ARG A 31 -10.712 -2.912 0.673 1.00 0.00 C ATOM 466 C ARG A 31 -9.368 -3.165 0.013 1.00 0.00 C ATOM 467 O ARG A 31 -9.279 -3.222 -1.215 1.00 0.00 O ATOM 468 CB ARG A 31 -11.687 -4.067 0.466 1.00 0.00 C ATOM 469 CG ARG A 31 -11.311 -5.204 1.417 1.00 0.00 C ATOM 470 CD ARG A 31 -12.349 -6.323 1.375 1.00 0.00 C ATOM 471 NE ARG A 31 -12.209 -7.190 2.548 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.029 -8.513 2.523 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.969 -9.186 1.377 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.904 -9.177 3.665 1.00 0.00 N ATOM 0 H ARG A 31 -11.947 -1.839 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.564 -2.818 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.708 -3.738 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.651 -4.411 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.333 -5.601 1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.228 -4.819 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.352 -5.897 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.226 -6.909 0.464 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.253 -6.744 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.061 -8.691 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.831 -10.197 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.946 -8.677 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.766 -10.188 3.655 1.00 0.00 H new ATOM 488 N ILE A 32 -8.329 -3.321 0.828 1.00 0.00 N ATOM 489 CA ILE A 32 -6.960 -3.414 0.342 1.00 0.00 C ATOM 490 C ILE A 32 -6.302 -4.668 0.899 1.00 0.00 C ATOM 491 O ILE A 32 -6.702 -5.172 1.946 1.00 0.00 O ATOM 492 CB ILE A 32 -6.166 -2.161 0.756 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.001 -0.892 0.541 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.846 -2.073 -0.021 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.203 0.399 0.729 1.00 0.00 C ATOM 0 H ILE A 32 -8.414 -3.386 1.842 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.968 -3.474 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.935 -2.243 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.420 -0.908 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.840 -0.896 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.301 -1.181 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.242 -2.956 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.056 -2.019 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.854 1.257 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.806 0.437 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.379 0.425 0.016 1.00 0.00 H new ATOM 507 N GLY A 33 -5.287 -5.176 0.197 1.00 0.00 N ATOM 508 CA GLY A 33 -4.526 -6.330 0.629 1.00 0.00 C ATOM 509 C GLY A 33 -3.043 -6.002 0.601 1.00 0.00 C ATOM 510 O GLY A 33 -2.606 -5.130 -0.153 1.00 0.00 O ATOM 0 H GLY A 33 -4.975 -4.788 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.826 -6.620 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.733 -7.179 -0.022 1.00 0.00 H new ATOM 514 N ILE A 34 -2.269 -6.705 1.426 1.00 0.00 N ATOM 515 CA ILE A 34 -0.847 -6.463 1.603 1.00 0.00 C ATOM 516 C ILE A 34 -0.148 -7.805 1.716 1.00 0.00 C ATOM 517 O ILE A 34 -0.661 -8.720 2.355 1.00 0.00 O ATOM 518 CB ILE A 34 -0.613 -5.645 2.878 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.441 -4.351 2.854 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.879 -5.333 3.027 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.378 -3.641 4.202 1.00 0.00 C ATOM 0 H ILE A 34 -2.623 -7.471 1.998 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.452 -5.904 0.755 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.937 -6.232 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.067 -3.690 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.477 -4.582 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.040 -4.751 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.441 -6.265 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.219 -4.760 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.972 -2.728 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.774 -4.297 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.343 -3.390 4.433 1.00 0.00 H new ATOM 533 N ASN A 35 1.024 -7.923 1.100 1.00 0.00 N ATOM 534 CA ASN A 35 1.730 -9.182 1.056 1.00 0.00 C ATOM 535 C ASN A 35 3.220 -8.936 1.256 1.00 0.00 C ATOM 536 O ASN A 35 3.912 -8.468 0.356 1.00 0.00 O ATOM 537 CB ASN A 35 1.423 -9.848 -0.287 1.00 0.00 C ATOM 538 CG ASN A 35 1.882 -11.299 -0.337 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.832 -11.691 0.336 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.202 -12.108 -1.143 1.00 0.00 N ATOM 0 H ASN A 35 1.499 -7.155 0.626 1.00 0.00 H new ATOM 0 HA ASN A 35 1.408 -9.850 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.350 -9.803 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.910 -9.289 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.464 -13.091 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.418 -11.746 -1.686 1.00 0.00 H new ATOM 547 N ALA A 36 3.694 -9.258 2.458 1.00 0.00 N ATOM 548 CA ALA A 36 5.084 -9.128 2.844 1.00 0.00 C ATOM 549 C ALA A 36 5.428 -10.253 3.804 1.00 0.00 C ATOM 550 O ALA A 36 4.542 -10.783 4.480 1.00 0.00 O ATOM 551 CB ALA A 36 5.299 -7.790 3.549 1.00 0.00 C ATOM 0 H ALA A 36 3.102 -9.625 3.203 1.00 0.00 H new ATOM 0 HA ALA A 36 5.718 -9.176 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.346 -7.695 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.034 -6.976 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.671 -7.742 4.439 1.00 0.00 H new ATOM 557 N PRO A 37 6.710 -10.629 3.871 1.00 0.00 N ATOM 558 CA PRO A 37 7.164 -11.665 4.768 1.00 0.00 C ATOM 559 C PRO A 37 6.884 -11.271 6.214 1.00 0.00 C ATOM 560 O PRO A 37 6.802 -10.088 6.541 1.00 0.00 O ATOM 561 CB PRO A 37 8.666 -11.802 4.500 1.00 0.00 C ATOM 562 CG PRO A 37 9.066 -10.488 3.833 1.00 0.00 C ATOM 563 CD PRO A 37 7.801 -10.074 3.092 1.00 0.00 C ATOM 0 HA PRO A 37 6.649 -12.612 4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.220 -11.960 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.876 -12.654 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.366 -9.739 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.906 -10.622 3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.723 -8.989 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.796 -10.462 2.073 1.00 0.00 H new ATOM 571 N LYS A 38 6.730 -12.267 7.086 1.00 0.00 N ATOM 572 CA LYS A 38 6.499 -12.038 8.506 1.00 0.00 C ATOM 573 C LYS A 38 7.726 -11.379 9.143 1.00 0.00 C ATOM 574 O LYS A 38 7.711 -11.018 10.317 1.00 0.00 O ATOM 575 CB LYS A 38 6.173 -13.375 9.177 1.00 0.00 C ATOM 576 CG LYS A 38 4.995 -14.094 8.513 1.00 0.00 C ATOM 577 CD LYS A 38 3.644 -13.459 8.825 1.00 0.00 C ATOM 578 CE LYS A 38 2.554 -14.302 8.163 1.00 0.00 C ATOM 579 NZ LYS A 38 2.322 -15.564 8.894 1.00 0.00 N ATOM 0 H LYS A 38 6.762 -13.253 6.825 1.00 0.00 H new ATOM 0 HA LYS A 38 5.656 -11.361 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.052 -14.018 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.943 -13.203 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.145 -14.100 7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.983 -15.134 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.486 -13.412 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.611 -12.435 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.627 -13.730 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.839 -14.524 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.425 -15.986 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.101 -16.225 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.276 -15.371 9.915 1.00 0.00 H new ATOM 593 N ASP A 39 8.792 -11.232 8.348 1.00 0.00 N ATOM 594 CA ASP A 39 10.052 -10.603 8.713 1.00 0.00 C ATOM 595 C ASP A 39 9.945 -9.082 8.809 1.00 0.00 C ATOM 596 O ASP A 39 10.892 -8.435 9.254 1.00 0.00 O ATOM 597 CB ASP A 39 11.084 -10.956 7.637 1.00 0.00 C ATOM 598 CG ASP A 39 11.515 -12.412 7.749 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.387 -12.695 8.599 1.00 0.00 O ATOM 600 OD2 ASP A 39 10.970 -13.240 6.984 1.00 0.00 O ATOM 0 H ASP A 39 8.792 -11.568 7.385 1.00 0.00 H new ATOM 0 HA ASP A 39 10.342 -10.971 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.661 -10.773 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.954 -10.307 7.736 1.00 0.00 H new ATOM 605 N VAL A 40 8.811 -8.502 8.404 1.00 0.00 N ATOM 606 CA VAL A 40 8.596 -7.060 8.453 1.00 0.00 C ATOM 607 C VAL A 40 7.239 -6.771 9.071 1.00 0.00 C ATOM 608 O VAL A 40 6.426 -7.680 9.246 1.00 0.00 O ATOM 609 CB VAL A 40 8.690 -6.441 7.053 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.043 -6.740 6.408 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.585 -6.976 6.152 1.00 0.00 C ATOM 0 H VAL A 40 8.017 -9.024 8.033 1.00 0.00 H new ATOM 0 HA VAL A 40 9.376 -6.611 9.068 1.00 0.00 H new ATOM 0 HB VAL A 40 8.578 -5.363 7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.081 -6.289 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.840 -6.326 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.174 -7.819 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.670 -6.524 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.679 -8.058 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.614 -6.729 6.581 1.00 0.00 H new ATOM 621 N ALA A 41 6.987 -5.504 9.403 1.00 0.00 N ATOM 622 CA ALA A 41 5.762 -5.138 10.085 1.00 0.00 C ATOM 623 C ALA A 41 4.773 -4.459 9.137 1.00 0.00 C ATOM 624 O ALA A 41 5.168 -3.857 8.141 1.00 0.00 O ATOM 625 CB ALA A 41 6.104 -4.216 11.252 1.00 0.00 C ATOM 0 H ALA A 41 7.615 -4.724 9.209 1.00 0.00 H new ATOM 0 HA ALA A 41 5.281 -6.043 10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.189 -3.934 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.770 -4.734 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.598 -3.320 10.875 1.00 0.00 H new ATOM 631 N VAL A 42 3.482 -4.561 9.457 1.00 0.00 N ATOM 632 CA VAL A 42 2.416 -3.873 8.731 1.00 0.00 C ATOM 633 C VAL A 42 1.201 -3.733 9.644 1.00 0.00 C ATOM 634 O VAL A 42 0.741 -4.716 10.222 1.00 0.00 O ATOM 635 CB VAL A 42 2.072 -4.637 7.439 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.178 -6.150 7.611 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.663 -4.304 6.957 1.00 0.00 C ATOM 0 H VAL A 42 3.145 -5.129 10.234 1.00 0.00 H new ATOM 0 HA VAL A 42 2.747 -2.876 8.440 1.00 0.00 H new ATOM 0 HB VAL A 42 2.805 -4.315 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.925 -6.642 6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.197 -6.413 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.488 -6.477 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.450 -4.859 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.059 -4.580 7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.590 -3.235 6.757 1.00 0.00 H new ATOM 647 N HIS A 43 0.675 -2.509 9.772 1.00 0.00 N ATOM 648 CA HIS A 43 -0.486 -2.229 10.605 1.00 0.00 C ATOM 649 C HIS A 43 -1.206 -0.972 10.110 1.00 0.00 C ATOM 650 O HIS A 43 -0.716 -0.280 9.219 1.00 0.00 O ATOM 651 CB HIS A 43 -0.067 -1.986 12.059 1.00 0.00 C ATOM 652 CG HIS A 43 1.009 -2.900 12.585 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.792 -4.066 13.319 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.351 -2.711 12.422 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.016 -4.554 13.575 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.969 -3.763 13.054 1.00 0.00 N ATOM 0 H HIS A 43 1.048 -1.687 9.297 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.146 -3.095 10.546 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.278 -0.956 12.152 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.947 -2.086 12.694 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.104 -4.463 13.601 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.831 -1.897 11.900 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.209 -5.462 14.127 1.00 0.00 H new ATOM 664 N ARG A 44 -2.370 -0.678 10.693 1.00 0.00 N ATOM 665 CA ARG A 44 -3.104 0.545 10.422 1.00 0.00 C ATOM 666 C ARG A 44 -2.292 1.700 11.006 1.00 0.00 C ATOM 667 O ARG A 44 -1.499 1.496 11.922 1.00 0.00 O ATOM 668 CB ARG A 44 -4.485 0.420 11.074 1.00 0.00 C ATOM 669 CG ARG A 44 -5.371 1.646 10.848 1.00 0.00 C ATOM 670 CD ARG A 44 -6.701 1.437 11.570 1.00 0.00 C ATOM 671 NE ARG A 44 -7.539 2.641 11.506 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.627 2.833 12.258 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.033 1.900 13.116 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.317 3.966 12.151 1.00 0.00 N ATOM 0 H ARG A 44 -2.827 -1.290 11.369 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.249 0.725 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.988 -0.462 10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.361 0.262 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.876 2.542 11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.541 1.797 9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.232 0.598 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.514 1.176 12.612 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.275 3.375 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.512 1.027 13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.865 2.058 13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.015 4.687 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.148 4.113 12.724 1.00 0.00 H new ATOM 688 N GLU A 45 -2.484 2.915 10.486 1.00 0.00 N ATOM 689 CA GLU A 45 -1.738 4.066 10.972 1.00 0.00 C ATOM 690 C GLU A 45 -1.984 4.277 12.470 1.00 0.00 C ATOM 691 O GLU A 45 -1.175 4.889 13.160 1.00 0.00 O ATOM 692 CB GLU A 45 -2.129 5.285 10.130 1.00 0.00 C ATOM 693 CG GLU A 45 -1.196 6.493 10.285 1.00 0.00 C ATOM 694 CD GLU A 45 -1.371 7.249 11.592 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.536 7.452 12.003 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.328 7.627 12.168 1.00 0.00 O ATOM 0 H GLU A 45 -3.144 3.121 9.736 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.666 3.902 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.152 4.993 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.141 5.587 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.163 6.153 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.367 7.179 9.455 1.00 0.00 H new ATOM 703 N GLU A 46 -3.112 3.763 12.971 1.00 0.00 N ATOM 704 CA GLU A 46 -3.472 3.855 14.377 1.00 0.00 C ATOM 705 C GLU A 46 -2.522 3.020 15.235 1.00 0.00 C ATOM 706 O GLU A 46 -1.994 3.502 16.234 1.00 0.00 O ATOM 707 CB GLU A 46 -4.894 3.306 14.527 1.00 0.00 C ATOM 708 CG GLU A 46 -5.449 3.509 15.939 1.00 0.00 C ATOM 709 CD GLU A 46 -5.636 4.992 16.262 1.00 0.00 C ATOM 710 OE1 GLU A 46 -6.361 5.668 15.498 1.00 0.00 O ATOM 711 OE2 GLU A 46 -5.053 5.441 17.275 1.00 0.00 O ATOM 0 H GLU A 46 -3.801 3.270 12.403 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.408 4.892 14.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.549 3.798 13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.898 2.243 14.287 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.404 2.992 16.033 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.771 3.060 16.665 1.00 0.00 H new ATOM 718 N ILE A 47 -2.299 1.762 14.838 1.00 0.00 N ATOM 719 CA ILE A 47 -1.526 0.820 15.632 1.00 0.00 C ATOM 720 C ILE A 47 -0.033 1.116 15.502 1.00 0.00 C ATOM 721 O ILE A 47 0.749 0.784 16.388 1.00 0.00 O ATOM 722 CB ILE A 47 -1.820 -0.607 15.142 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.324 -0.873 14.958 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.231 -1.634 16.110 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.157 -0.501 16.185 1.00 0.00 C ATOM 0 H ILE A 47 -2.650 1.377 13.961 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.807 0.916 16.681 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.349 -0.706 14.164 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.684 -0.308 14.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.474 -1.929 14.731 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.447 -2.640 15.750 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.152 -1.496 16.174 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.674 -1.499 17.097 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.208 -0.713 15.989 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.823 -1.085 17.042 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.035 0.561 16.399 1.00 0.00 H new ATOM 737 N TYR A 48 0.360 1.747 14.395 1.00 0.00 N ATOM 738 CA TYR A 48 1.747 2.067 14.118 1.00 0.00 C ATOM 739 C TYR A 48 2.331 3.005 15.178 1.00 0.00 C ATOM 740 O TYR A 48 3.531 2.979 15.443 1.00 0.00 O ATOM 741 CB TYR A 48 1.799 2.712 12.736 1.00 0.00 C ATOM 742 CG TYR A 48 3.184 3.050 12.244 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.998 2.044 11.704 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.646 4.370 12.327 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.272 2.365 11.216 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.914 4.700 11.834 1.00 0.00 C ATOM 747 CZ TYR A 48 5.733 3.698 11.266 1.00 0.00 C ATOM 748 OH TYR A 48 6.964 4.014 10.773 1.00 0.00 O ATOM 0 H TYR A 48 -0.285 2.049 13.665 1.00 0.00 H new ATOM 0 HA TYR A 48 2.350 1.159 14.143 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.329 2.039 12.019 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.203 3.625 12.754 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.644 1.024 11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.024 5.133 12.771 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.902 1.592 10.801 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.266 5.720 11.888 1.00 0.00 H new ATOM 0 HH TYR A 48 7.125 4.974 10.885 1.00 0.00 H new ATOM 1211 N MET C 1 0.414 -12.447 4.592 1.00 0.00 N ATOM 1212 CA MET C 1 -0.677 -11.750 3.882 1.00 0.00 C ATOM 1213 C MET C 1 -1.571 -11.021 4.873 1.00 0.00 C ATOM 1214 O MET C 1 -1.837 -11.549 5.949 1.00 0.00 O ATOM 1215 CB MET C 1 -1.500 -12.751 3.065 1.00 0.00 C ATOM 1216 CG MET C 1 -2.613 -12.067 2.270 1.00 0.00 C ATOM 1217 SD MET C 1 -2.019 -10.977 0.957 1.00 0.00 S ATOM 1218 CE MET C 1 -3.611 -10.247 0.511 1.00 0.00 C ATOM 0 H1 MET C 1 0.518 -13.409 4.210 1.00 0.00 H new ATOM 0 H2 MET C 1 1.303 -11.925 4.460 1.00 0.00 H new ATOM 0 H3 MET C 1 0.190 -12.499 5.606 1.00 0.00 H new ATOM 0 HA MET C 1 -0.239 -11.018 3.203 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.843 -13.287 2.380 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.936 -13.493 3.734 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.254 -12.832 1.831 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.232 -11.488 2.956 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.464 -9.505 -0.274 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.281 -11.028 0.151 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.049 -9.768 1.386 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.038 -9.819 4.532 1.00 0.00 N ATOM 1231 CA LEU C 2 -2.970 -9.075 5.366 1.00 0.00 C ATOM 1232 C LEU C 2 -4.007 -8.388 4.480 1.00 0.00 C ATOM 1233 O LEU C 2 -3.737 -8.106 3.315 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.202 -8.032 6.178 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.020 -8.407 7.649 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.254 -7.286 8.347 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.357 -8.578 8.359 1.00 0.00 C ATOM 0 H LEU C 2 -1.779 -9.338 3.670 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.479 -9.756 6.048 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.221 -7.884 5.726 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.728 -7.079 6.118 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.480 -9.353 7.691 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.116 -7.539 9.398 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.280 -7.161 7.873 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.818 -6.356 8.269 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.184 -8.844 9.402 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.917 -7.644 8.311 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.929 -9.369 7.873 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.189 -8.118 5.035 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.257 -7.422 4.332 1.00 0.00 C ATOM 1251 C ILE C 3 -6.843 -6.367 5.265 1.00 0.00 C ATOM 1252 O ILE C 3 -7.057 -6.624 6.449 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.331 -8.413 3.849 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.801 -9.336 2.743 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.503 -7.656 3.226 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.124 -10.589 3.283 1.00 0.00 C ATOM 0 H ILE C 3 -5.430 -8.379 5.991 1.00 0.00 H new ATOM 0 HA ILE C 3 -5.860 -6.932 3.443 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.628 -8.991 4.724 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.627 -9.628 2.095 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.091 -8.784 2.127 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.257 -8.367 2.888 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -8.941 -6.989 3.968 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.149 -7.072 2.377 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.772 -11.199 2.451 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.278 -10.305 3.909 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.837 -11.161 3.876 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.091 -5.178 4.717 1.00 0.00 N ATOM 1269 CA LEU C 4 -7.529 -3.993 5.440 1.00 0.00 C ATOM 1270 C LEU C 4 -8.721 -3.370 4.712 1.00 0.00 C ATOM 1271 O LEU C 4 -8.981 -3.695 3.555 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.384 -2.965 5.441 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.333 -3.078 6.554 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -5.964 -2.790 7.912 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -4.619 -4.425 6.599 1.00 0.00 C ATOM 0 H LEU C 4 -6.987 -5.011 3.716 1.00 0.00 H new ATOM 0 HA LEU C 4 -7.807 -4.267 6.458 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -5.869 -3.034 4.483 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -6.825 -1.970 5.494 1.00 0.00 H new ATOM 0 HG LEU C 4 -4.575 -2.331 6.319 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -5.206 -2.874 8.691 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -6.377 -1.781 7.915 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -6.761 -3.509 8.103 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -3.893 -4.425 7.412 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -5.348 -5.218 6.764 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -4.105 -4.596 5.653 1.00 0.00 H new ATOM 1287 N THR C 5 -9.442 -2.471 5.388 1.00 0.00 N ATOM 1288 CA THR C 5 -10.488 -1.681 4.749 1.00 0.00 C ATOM 1289 C THR C 5 -10.416 -0.249 5.249 1.00 0.00 C ATOM 1290 O THR C 5 -10.917 0.077 6.325 1.00 0.00 O ATOM 1291 CB THR C 5 -11.884 -2.272 4.957 1.00 0.00 C ATOM 1292 OG1 THR C 5 -11.886 -3.658 4.700 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.840 -1.585 3.987 1.00 0.00 C ATOM 0 H THR C 5 -9.317 -2.275 6.381 1.00 0.00 H new ATOM 0 HA THR C 5 -10.312 -1.699 3.673 1.00 0.00 H new ATOM 0 HB THR C 5 -12.192 -2.113 5.991 1.00 0.00 H new ATOM 0 HG1 THR C 5 -12.788 -4.015 4.840 1.00 0.00 H new ATOM 0 HG21 THR C 5 -13.843 -1.990 4.117 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.853 -0.513 4.186 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.508 -1.760 2.964 1.00 0.00 H new ATOM 1301 N ARG C 6 -9.783 0.605 4.446 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.532 2.003 4.754 1.00 0.00 C ATOM 1303 C ARG C 6 -10.499 2.864 3.944 1.00 0.00 C ATOM 1304 O ARG C 6 -11.071 2.363 2.979 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.076 2.273 4.351 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.451 3.546 4.922 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.154 3.412 6.418 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.356 3.612 7.230 1.00 0.00 N ATOM 1309 CZ ARG C 6 -8.813 2.782 8.168 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -8.190 1.642 8.446 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -9.915 3.106 8.834 1.00 0.00 N ATOM 0 H ARG C 6 -9.421 0.329 3.534 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.682 2.236 5.808 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.469 1.422 4.662 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.023 2.322 3.263 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.528 3.769 4.387 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.125 4.387 4.759 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.739 2.424 6.619 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.396 4.141 6.705 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.892 4.463 7.063 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.344 1.386 7.938 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -8.558 1.023 9.168 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -10.399 3.979 8.625 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -10.278 2.482 9.555 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.700 4.139 4.301 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.489 5.033 3.456 1.00 0.00 C ATOM 1327 C LYS C 7 -10.688 6.274 3.096 1.00 0.00 C ATOM 1328 O LYS C 7 -9.627 6.527 3.663 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.841 5.418 4.066 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.716 6.103 5.428 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.098 6.639 5.814 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.032 7.506 7.072 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.510 6.759 8.230 1.00 0.00 N ATOM 0 H LYS C 7 -10.334 4.565 5.152 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.715 4.474 2.548 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.366 6.082 3.379 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.452 4.522 4.172 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.357 5.398 6.178 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -11.991 6.916 5.381 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.506 7.223 4.989 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.779 5.805 5.981 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.397 8.372 6.883 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -15.027 7.885 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -14.046 7.021 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -13.610 5.738 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.505 6.990 8.368 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.209 7.047 2.142 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.461 8.144 1.557 1.00 0.00 C ATOM 1349 C VAL C 8 -10.026 9.159 2.601 1.00 0.00 C ATOM 1350 O VAL C 8 -10.836 9.659 3.380 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.232 8.774 0.393 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.690 7.670 -0.563 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.470 9.568 0.807 1.00 0.00 C ATOM 0 H VAL C 8 -12.148 6.928 1.762 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.539 7.737 1.141 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.539 9.475 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.240 8.113 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.820 7.137 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.337 6.973 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.953 9.978 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.166 8.911 1.328 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.175 10.383 1.469 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.724 9.451 2.609 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.148 10.445 3.508 1.00 0.00 C ATOM 1365 C GLY C 9 -7.454 9.809 4.712 1.00 0.00 C ATOM 1366 O GLY C 9 -6.970 10.532 5.582 1.00 0.00 O ATOM 0 H GLY C 9 -8.044 9.005 1.994 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.431 11.055 2.959 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.934 11.114 3.857 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.395 8.474 4.775 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.760 7.770 5.885 1.00 0.00 C ATOM 1372 C GLU C 10 -5.529 6.994 5.391 1.00 0.00 C ATOM 1373 O GLU C 10 -5.246 6.987 4.190 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.788 6.860 6.561 1.00 0.00 C ATOM 1375 CG GLU C 10 -8.979 7.668 7.086 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.038 6.781 7.735 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.155 5.602 7.325 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -10.734 7.283 8.648 1.00 0.00 O ATOM 0 H GLU C 10 -7.784 7.858 4.061 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.406 8.486 6.627 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.138 6.111 5.851 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.317 6.323 7.385 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.627 8.401 7.812 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.428 8.225 6.264 1.00 0.00 H new ATOM 1385 N SER C 11 -4.795 6.340 6.301 1.00 0.00 N ATOM 1386 CA SER C 11 -3.495 5.760 5.972 1.00 0.00 C ATOM 1387 C SER C 11 -3.231 4.410 6.642 1.00 0.00 C ATOM 1388 O SER C 11 -3.961 3.982 7.537 1.00 0.00 O ATOM 1389 CB SER C 11 -2.398 6.743 6.387 1.00 0.00 C ATOM 1390 OG SER C 11 -2.552 7.971 5.704 1.00 0.00 O ATOM 0 H SER C 11 -5.083 6.202 7.270 1.00 0.00 H new ATOM 0 HA SER C 11 -3.495 5.579 4.897 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.439 6.911 7.463 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.418 6.318 6.168 1.00 0.00 H new ATOM 0 HG SER C 11 -2.016 7.958 4.883 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.162 3.749 6.180 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.685 2.448 6.644 1.00 0.00 C ATOM 1398 C ILE C 12 -0.149 2.507 6.643 1.00 0.00 C ATOM 1399 O ILE C 12 0.424 3.415 6.039 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.222 1.345 5.712 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.756 1.431 5.622 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.811 -0.055 6.191 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.355 0.367 4.704 1.00 0.00 C ATOM 0 H ILE C 12 -1.579 4.130 5.434 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.038 2.216 7.649 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.785 1.506 4.726 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.181 1.324 6.620 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.039 2.419 5.259 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.209 -0.805 5.507 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.724 -0.127 6.215 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.208 -0.229 7.191 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.439 0.476 4.679 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.955 0.488 3.697 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.099 -0.624 5.079 1.00 0.00 H new ATOM 1415 N ASN C 13 0.537 1.567 7.300 1.00 0.00 N ATOM 1416 CA ASN C 13 1.992 1.609 7.402 1.00 0.00 C ATOM 1417 C ASN C 13 2.624 0.231 7.234 1.00 0.00 C ATOM 1418 O ASN C 13 1.984 -0.795 7.463 1.00 0.00 O ATOM 1419 CB ASN C 13 2.391 2.179 8.761 1.00 0.00 C ATOM 1420 CG ASN C 13 2.174 3.682 8.820 1.00 0.00 C ATOM 1421 OD1 ASN C 13 1.103 4.148 9.195 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.196 4.444 8.450 1.00 0.00 N ATOM 0 H ASN C 13 0.105 0.770 7.768 1.00 0.00 H new ATOM 0 HA ASN C 13 2.357 2.244 6.595 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.808 1.695 9.545 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.439 1.954 8.958 1.00 0.00 H new ATOM 0 HD21 ASN C 13 3.108 5.460 8.471 1.00 0.00 H new ATOM 0 HD22 ASN C 13 4.069 4.014 8.145 1.00 0.00 H new ATOM 1429 N ILE C 14 3.900 0.230 6.828 1.00 0.00 N ATOM 1430 CA ILE C 14 4.702 -0.979 6.650 1.00 0.00 C ATOM 1431 C ILE C 14 6.125 -0.702 7.138 1.00 0.00 C ATOM 1432 O ILE C 14 6.595 0.435 7.080 1.00 0.00 O ATOM 1433 CB ILE C 14 4.700 -1.407 5.170 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.258 -1.578 4.665 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.478 -2.718 4.989 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.193 -1.987 3.194 1.00 0.00 C ATOM 0 H ILE C 14 4.410 1.087 6.611 1.00 0.00 H new ATOM 0 HA ILE C 14 4.276 -1.797 7.232 1.00 0.00 H new ATOM 0 HB ILE C 14 5.188 -0.627 4.586 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.752 -2.331 5.270 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.716 -0.642 4.802 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.466 -3.006 3.938 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.508 -2.578 5.316 1.00 0.00 H new ATOM 0 HG23 ILE C 14 5.012 -3.503 5.585 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.151 -2.093 2.892 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.672 -1.223 2.582 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.709 -2.937 3.057 1.00 0.00 H new ATOM 1448 N GLY C 15 6.811 -1.744 7.616 1.00 0.00 N ATOM 1449 CA GLY C 15 8.165 -1.623 8.133 1.00 0.00 C ATOM 1450 C GLY C 15 8.232 -0.543 9.211 1.00 0.00 C ATOM 1451 O GLY C 15 7.331 -0.422 10.039 1.00 0.00 O ATOM 0 H GLY C 15 6.438 -2.693 7.653 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.489 -2.578 8.546 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.850 -1.378 7.321 1.00 0.00 H new ATOM 1455 N ASP C 16 9.313 0.234 9.189 1.00 0.00 N ATOM 1456 CA ASP C 16 9.528 1.350 10.099 1.00 0.00 C ATOM 1457 C ASP C 16 9.904 2.603 9.305 1.00 0.00 C ATOM 1458 O ASP C 16 10.316 3.607 9.885 1.00 0.00 O ATOM 1459 CB ASP C 16 10.611 0.987 11.118 1.00 0.00 C ATOM 1460 CG ASP C 16 10.202 -0.207 11.974 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.522 0.027 12.996 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.572 -1.342 11.598 1.00 0.00 O ATOM 0 H ASP C 16 10.076 0.101 8.525 1.00 0.00 H new ATOM 0 HA ASP C 16 8.608 1.561 10.645 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.540 0.759 10.596 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.808 1.845 11.761 1.00 0.00 H new ATOM 1467 N ASP C 17 9.761 2.533 7.977 1.00 0.00 N ATOM 1468 CA ASP C 17 10.141 3.609 7.071 1.00 0.00 C ATOM 1469 C ASP C 17 9.179 3.721 5.884 1.00 0.00 C ATOM 1470 O ASP C 17 9.485 4.435 4.927 1.00 0.00 O ATOM 1471 CB ASP C 17 11.567 3.379 6.560 1.00 0.00 C ATOM 1472 CG ASP C 17 12.580 3.310 7.700 1.00 0.00 C ATOM 1473 OD1 ASP C 17 13.016 4.393 8.155 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.911 2.173 8.107 1.00 0.00 O ATOM 0 H ASP C 17 9.374 1.718 7.502 1.00 0.00 H new ATOM 0 HA ASP C 17 10.093 4.544 7.629 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.602 2.452 5.988 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.842 4.184 5.879 1.00 0.00 H new ATOM 1479 N ILE C 18 8.028 3.035 5.917 1.00 0.00 N ATOM 1480 CA ILE C 18 7.088 3.088 4.801 1.00 0.00 C ATOM 1481 C ILE C 18 5.686 3.445 5.296 1.00 0.00 C ATOM 1482 O ILE C 18 5.285 3.076 6.399 1.00 0.00 O ATOM 1483 CB ILE C 18 7.071 1.756 4.028 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.465 1.328 3.556 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.170 1.879 2.796 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.154 0.440 4.592 1.00 0.00 C ATOM 0 H ILE C 18 7.733 2.446 6.696 1.00 0.00 H new ATOM 0 HA ILE C 18 7.420 3.868 4.116 1.00 0.00 H new ATOM 0 HB ILE C 18 6.695 1.002 4.719 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.382 0.791 2.611 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.075 2.212 3.368 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.163 0.933 2.254 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.156 2.125 3.110 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.549 2.667 2.145 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.140 0.154 4.227 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.258 0.988 5.529 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.555 -0.455 4.760 1.00 0.00 H new ATOM 1498 N THR C 19 4.947 4.172 4.454 1.00 0.00 N ATOM 1499 CA THR C 19 3.580 4.591 4.732 1.00 0.00 C ATOM 1500 C THR C 19 2.763 4.494 3.450 1.00 0.00 C ATOM 1501 O THR C 19 3.307 4.566 2.346 1.00 0.00 O ATOM 1502 CB THR C 19 3.579 6.030 5.263 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.461 6.144 6.359 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.188 6.466 5.722 1.00 0.00 C ATOM 0 H THR C 19 5.291 4.488 3.547 1.00 0.00 H new ATOM 0 HA THR C 19 3.137 3.944 5.489 1.00 0.00 H new ATOM 0 HB THR C 19 3.899 6.672 4.443 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.454 7.066 6.690 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.231 7.491 6.091 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.494 6.411 4.883 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.845 5.807 6.520 1.00 0.00 H new ATOM 1512 N ILE C 20 1.446 4.327 3.597 1.00 0.00 N ATOM 1513 CA ILE C 20 0.506 4.204 2.492 1.00 0.00 C ATOM 1514 C ILE C 20 -0.691 5.094 2.789 1.00 0.00 C ATOM 1515 O ILE C 20 -1.077 5.241 3.948 1.00 0.00 O ATOM 1516 CB ILE C 20 0.055 2.740 2.366 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.234 1.788 2.128 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.977 2.585 1.243 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.890 1.973 0.759 1.00 0.00 C ATOM 0 H ILE C 20 0.998 4.273 4.512 1.00 0.00 H new ATOM 0 HA ILE C 20 0.973 4.508 1.555 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.404 2.468 3.317 1.00 0.00 H new ATOM 0 HG12 ILE C 20 1.981 1.944 2.906 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.887 0.759 2.221 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.283 1.541 1.171 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.848 3.204 1.461 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.536 2.900 0.297 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.716 1.270 0.654 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.155 1.789 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.267 2.992 0.671 1.00 0.00 H new ATOM 1531 N THR C 21 -1.282 5.688 1.750 1.00 0.00 N ATOM 1532 CA THR C 21 -2.428 6.571 1.917 1.00 0.00 C ATOM 1533 C THR C 21 -3.401 6.387 0.761 1.00 0.00 C ATOM 1534 O THR C 21 -2.999 6.122 -0.368 1.00 0.00 O ATOM 1535 CB THR C 21 -1.952 8.027 1.985 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.957 8.169 2.974 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.099 8.977 2.321 1.00 0.00 C ATOM 0 H THR C 21 -0.981 5.570 0.783 1.00 0.00 H new ATOM 0 HA THR C 21 -2.941 6.322 2.846 1.00 0.00 H new ATOM 0 HB THR C 21 -1.553 8.281 1.003 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.660 9.102 3.007 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.724 10.000 2.361 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.870 8.902 1.554 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.523 8.708 3.289 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.696 6.531 1.052 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.758 6.452 0.060 1.00 0.00 C ATOM 1547 C ILE C 22 -6.289 7.869 -0.171 1.00 0.00 C ATOM 1548 O ILE C 22 -7.109 8.361 0.598 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.829 5.456 0.537 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.139 5.543 -0.250 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.174 5.634 2.015 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.898 5.499 -1.749 1.00 0.00 C ATOM 0 H ILE C 22 -5.036 6.708 1.997 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.401 6.073 -0.898 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.371 4.481 0.367 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.792 4.719 0.038 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.658 6.466 0.008 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.934 4.907 2.301 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.279 5.480 2.619 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.555 6.642 2.181 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.852 5.563 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.267 6.338 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.403 4.564 -2.011 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.822 8.538 -1.231 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.192 9.932 -1.448 1.00 0.00 C ATOM 1566 C LEU C 23 -7.679 10.051 -1.793 1.00 0.00 C ATOM 1567 O LEU C 23 -8.313 11.035 -1.420 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.366 10.571 -2.571 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.861 10.278 -2.556 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -3.180 11.216 -3.556 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.247 10.496 -1.177 1.00 0.00 C ATOM 0 H LEU C 23 -5.200 8.143 -1.936 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.986 10.462 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.770 10.237 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.505 11.651 -2.526 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.713 9.232 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -2.107 11.025 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.585 11.041 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.362 12.251 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.180 10.276 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.394 11.533 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.728 9.835 -0.456 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.236 9.064 -2.502 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.641 9.123 -2.892 1.00 0.00 C ATOM 1585 C GLY C 24 -10.009 8.115 -3.974 1.00 0.00 C ATOM 1586 O GLY C 24 -9.178 7.308 -4.388 1.00 0.00 O ATOM 0 H GLY C 24 -7.741 8.228 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.262 8.946 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.870 10.127 -3.248 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.264 8.167 -4.436 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.758 7.261 -5.469 1.00 0.00 C ATOM 1592 C VAL C 25 -12.543 8.019 -6.540 1.00 0.00 C ATOM 1593 O VAL C 25 -12.993 9.143 -6.324 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.648 6.160 -4.865 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -12.002 5.520 -3.635 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -14.026 6.698 -4.478 1.00 0.00 C ATOM 0 H VAL C 25 -11.959 8.836 -4.104 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.887 6.797 -5.931 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.764 5.403 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.661 4.748 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -11.048 5.073 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.836 6.282 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.626 5.892 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.912 7.492 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.523 7.095 -5.363 1.00 0.00 H new ATOM 1606 N SER C 26 -12.699 7.381 -7.704 1.00 0.00 N ATOM 1607 CA SER C 26 -13.485 7.898 -8.812 1.00 0.00 C ATOM 1608 C SER C 26 -14.032 6.725 -9.627 1.00 0.00 C ATOM 1609 O SER C 26 -13.400 6.262 -10.577 1.00 0.00 O ATOM 1610 CB SER C 26 -12.633 8.846 -9.663 1.00 0.00 C ATOM 1611 OG SER C 26 -11.399 8.251 -9.997 1.00 0.00 O ATOM 0 H SER C 26 -12.272 6.475 -7.899 1.00 0.00 H new ATOM 0 HA SER C 26 -14.331 8.475 -8.439 1.00 0.00 H new ATOM 0 HB2 SER C 26 -13.173 9.109 -10.573 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.458 9.773 -9.117 1.00 0.00 H new ATOM 0 HG SER C 26 -10.873 8.873 -10.541 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.217 6.238 -9.257 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.829 5.099 -9.932 1.00 0.00 C ATOM 1619 C GLY C 27 -15.164 3.809 -9.467 1.00 0.00 C ATOM 1620 O GLY C 27 -15.495 3.292 -8.400 1.00 0.00 O ATOM 0 H GLY C 27 -15.772 6.618 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.897 5.067 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.725 5.205 -11.012 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.228 3.287 -10.267 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.427 2.133 -9.882 1.00 0.00 C ATOM 1626 C GLN C 28 -11.982 2.557 -9.693 1.00 0.00 C ATOM 1627 O GLN C 28 -11.216 1.828 -9.065 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.453 1.047 -10.960 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.831 0.455 -11.221 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.394 -0.289 -10.013 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -15.392 -1.517 -9.982 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.881 0.435 -9.005 1.00 0.00 N ATOM 0 H GLN C 28 -14.010 3.654 -11.193 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.848 1.737 -8.958 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.068 1.466 -11.890 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.776 0.245 -10.667 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.517 1.254 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.773 -0.228 -12.068 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -15.870 1.454 -9.057 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -16.264 -0.030 -8.182 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.597 3.718 -10.230 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.250 4.203 -10.040 1.00 0.00 C ATOM 1643 C GLN C 29 -10.090 4.622 -8.587 1.00 0.00 C ATOM 1644 O GLN C 29 -11.039 5.066 -7.939 1.00 0.00 O ATOM 1645 CB GLN C 29 -9.927 5.366 -10.982 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.592 4.891 -12.395 1.00 0.00 C ATOM 1647 CD GLN C 29 -10.845 4.497 -13.148 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -11.537 5.334 -13.723 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -11.156 3.209 -13.151 1.00 0.00 N ATOM 0 H GLN C 29 -12.197 4.323 -10.790 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.547 3.405 -10.278 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.778 6.046 -11.022 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.086 5.932 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.073 5.683 -12.935 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -8.912 4.041 -12.345 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -10.560 2.539 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -11.991 2.887 -13.640 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.868 4.471 -8.078 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.524 4.788 -6.710 1.00 0.00 C ATOM 1660 C VAL C 30 -7.182 5.499 -6.739 1.00 0.00 C ATOM 1661 O VAL C 30 -6.176 4.911 -7.141 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.461 3.486 -5.901 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.203 3.792 -4.432 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.777 2.715 -5.979 1.00 0.00 C ATOM 0 H VAL C 30 -8.081 4.118 -8.622 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.264 5.434 -6.238 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.655 2.887 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.160 2.860 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.255 4.321 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -9.009 4.415 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.697 1.798 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.583 3.330 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -9.991 2.465 -7.018 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.161 6.761 -6.305 1.00 0.00 N ATOM 1675 CA ARG C 31 -5.931 7.521 -6.160 1.00 0.00 C ATOM 1676 C ARG C 31 -5.276 7.072 -4.865 1.00 0.00 C ATOM 1677 O ARG C 31 -5.850 7.233 -3.787 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.235 9.022 -6.109 1.00 0.00 C ATOM 1679 CG ARG C 31 -5.987 9.714 -7.452 1.00 0.00 C ATOM 1680 CD ARG C 31 -4.490 9.942 -7.667 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.265 10.775 -8.852 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.212 10.702 -9.669 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -2.255 9.796 -9.482 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -3.111 11.548 -10.689 1.00 0.00 N ATOM 0 H ARG C 31 -8.000 7.280 -6.046 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.269 7.347 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.274 9.170 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -5.616 9.489 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.388 9.105 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.514 10.668 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.059 10.423 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.983 8.984 -7.786 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.976 11.472 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.318 9.141 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -1.458 9.757 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.836 12.249 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.308 11.497 -11.317 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.071 6.509 -4.980 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.341 5.953 -3.850 1.00 0.00 C ATOM 1700 C ILE C 32 -1.972 6.612 -3.781 1.00 0.00 C ATOM 1701 O ILE C 32 -1.443 7.050 -4.801 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.196 4.431 -4.003 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.515 3.804 -4.474 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.745 3.813 -2.676 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.489 2.276 -4.452 1.00 0.00 C ATOM 0 H ILE C 32 -3.575 6.428 -5.868 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.888 6.148 -2.928 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.439 4.226 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.327 4.158 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.732 4.144 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.645 2.734 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.784 4.238 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.485 4.027 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.449 1.891 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.698 1.916 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.302 1.930 -3.436 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.397 6.680 -2.580 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.092 7.276 -2.374 1.00 0.00 C ATOM 1719 C GLY C 33 0.781 6.349 -1.548 1.00 0.00 C ATOM 1720 O GLY C 33 0.286 5.526 -0.777 1.00 0.00 O ATOM 0 H GLY C 33 -1.829 6.322 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.382 7.473 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.198 8.235 -1.868 1.00 0.00 H new ATOM 1724 N ILE C 34 2.093 6.496 -1.725 1.00 0.00 N ATOM 1725 CA ILE C 34 3.097 5.663 -1.082 1.00 0.00 C ATOM 1726 C ILE C 34 4.262 6.544 -0.677 1.00 0.00 C ATOM 1727 O ILE C 34 4.600 7.497 -1.378 1.00 0.00 O ATOM 1728 CB ILE C 34 3.586 4.551 -2.029 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.452 3.648 -2.541 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.590 3.664 -1.284 1.00 0.00 C ATOM 1731 CD1 ILE C 34 1.841 4.163 -3.847 1.00 0.00 C ATOM 0 H ILE C 34 2.491 7.213 -2.332 1.00 0.00 H new ATOM 0 HA ILE C 34 2.658 5.184 -0.207 1.00 0.00 H new ATOM 0 HB ILE C 34 4.034 5.048 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE C 34 2.836 2.640 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.674 3.580 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.941 2.874 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.437 4.268 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.107 3.219 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE C 34 1.045 3.490 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE C 34 1.431 5.161 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE C 34 2.611 4.205 -4.617 1.00 0.00 H new ATOM 1743 N ASN C 35 4.878 6.223 0.457 1.00 0.00 N ATOM 1744 CA ASN C 35 5.961 7.022 0.985 1.00 0.00 C ATOM 1745 C ASN C 35 7.031 6.108 1.564 1.00 0.00 C ATOM 1746 O ASN C 35 6.828 5.488 2.606 1.00 0.00 O ATOM 1747 CB ASN C 35 5.374 7.978 2.022 1.00 0.00 C ATOM 1748 CG ASN C 35 6.337 9.093 2.400 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.551 8.901 2.433 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.793 10.273 2.686 1.00 0.00 N ATOM 0 H ASN C 35 4.639 5.410 1.025 1.00 0.00 H new ATOM 0 HA ASN C 35 6.443 7.613 0.207 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.455 8.414 1.630 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.104 7.417 2.917 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.388 11.060 2.944 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.781 10.391 2.647 1.00 0.00 H new ATOM 1757 N ALA C 36 8.167 6.035 0.870 1.00 0.00 N ATOM 1758 CA ALA C 36 9.307 5.236 1.294 1.00 0.00 C ATOM 1759 C ALA C 36 10.595 5.903 0.824 1.00 0.00 C ATOM 1760 O ALA C 36 10.577 6.694 -0.120 1.00 0.00 O ATOM 1761 CB ALA C 36 9.203 3.844 0.669 1.00 0.00 C ATOM 0 H ALA C 36 8.319 6.533 -0.007 1.00 0.00 H new ATOM 0 HA ALA C 36 9.314 5.154 2.381 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.054 3.240 0.983 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.279 3.367 0.996 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.201 3.932 -0.417 1.00 0.00 H new ATOM 1767 N PRO C 37 11.721 5.594 1.480 1.00 0.00 N ATOM 1768 CA PRO C 37 13.027 6.082 1.087 1.00 0.00 C ATOM 1769 C PRO C 37 13.419 5.551 -0.288 1.00 0.00 C ATOM 1770 O PRO C 37 12.889 4.538 -0.746 1.00 0.00 O ATOM 1771 CB PRO C 37 13.986 5.561 2.157 1.00 0.00 C ATOM 1772 CG PRO C 37 13.274 4.349 2.761 1.00 0.00 C ATOM 1773 CD PRO C 37 11.810 4.743 2.652 1.00 0.00 C ATOM 0 HA PRO C 37 13.045 7.169 1.013 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.947 5.281 1.725 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.186 6.320 2.913 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.491 3.434 2.210 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.572 4.176 3.795 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.174 3.864 2.547 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.479 5.271 3.546 1.00 0.00 H new ATOM 1781 N LYS C 38 14.361 6.230 -0.950 1.00 0.00 N ATOM 1782 CA LYS C 38 14.929 5.748 -2.204 1.00 0.00 C ATOM 1783 C LYS C 38 15.820 4.538 -1.944 1.00 0.00 C ATOM 1784 O LYS C 38 16.400 3.965 -2.865 1.00 0.00 O ATOM 1785 CB LYS C 38 15.674 6.885 -2.907 1.00 0.00 C ATOM 1786 CG LYS C 38 14.696 8.001 -3.281 1.00 0.00 C ATOM 1787 CD LYS C 38 13.707 7.553 -4.360 1.00 0.00 C ATOM 1788 CE LYS C 38 14.326 7.607 -5.759 1.00 0.00 C ATOM 1789 NZ LYS C 38 14.564 8.996 -6.189 1.00 0.00 N ATOM 0 H LYS C 38 14.745 7.120 -0.632 1.00 0.00 H new ATOM 0 HA LYS C 38 14.132 5.421 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.454 7.278 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.168 6.508 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.147 8.316 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.253 8.868 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.375 6.536 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.823 8.190 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS C 38 15.267 7.057 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS C 38 13.664 7.113 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.672 9.026 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.757 9.589 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 15.431 9.355 -5.740 1.00 0.00 H new ATOM 1803 N ASP C 39 15.915 4.161 -0.670 1.00 0.00 N ATOM 1804 CA ASP C 39 16.583 2.960 -0.205 1.00 0.00 C ATOM 1805 C ASP C 39 15.827 1.711 -0.665 1.00 0.00 C ATOM 1806 O ASP C 39 16.344 0.598 -0.560 1.00 0.00 O ATOM 1807 CB ASP C 39 16.622 2.995 1.320 1.00 0.00 C ATOM 1808 CG ASP C 39 17.658 2.028 1.886 1.00 0.00 C ATOM 1809 OD1 ASP C 39 18.849 2.196 1.549 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.253 1.126 2.655 1.00 0.00 O ATOM 0 H ASP C 39 15.512 4.708 0.090 1.00 0.00 H new ATOM 0 HA ASP C 39 17.592 2.922 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.850 4.007 1.654 1.00 0.00 H new ATOM 0 HB3 ASP C 39 15.637 2.743 1.714 1.00 0.00 H new ATOM 1815 N VAL C 40 14.605 1.901 -1.176 1.00 0.00 N ATOM 1816 CA VAL C 40 13.739 0.829 -1.643 1.00 0.00 C ATOM 1817 C VAL C 40 13.046 1.264 -2.932 1.00 0.00 C ATOM 1818 O VAL C 40 13.084 2.438 -3.302 1.00 0.00 O ATOM 1819 CB VAL C 40 12.706 0.457 -0.564 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.388 0.169 0.774 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.681 1.567 -0.346 1.00 0.00 C ATOM 0 H VAL C 40 14.188 2.827 -1.276 1.00 0.00 H new ATOM 0 HA VAL C 40 14.341 -0.057 -1.845 1.00 0.00 H new ATOM 0 HB VAL C 40 12.196 -0.436 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.635 -0.091 1.518 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.084 -0.662 0.656 1.00 0.00 H new ATOM 0 HG13 VAL C 40 13.932 1.054 1.103 1.00 0.00 H new ATOM 0 HG21 VAL C 40 10.972 1.262 0.423 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.191 2.476 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.147 1.757 -1.277 1.00 0.00 H new ATOM 1831 N ALA C 41 12.410 0.317 -3.621 1.00 0.00 N ATOM 1832 CA ALA C 41 11.750 0.591 -4.886 1.00 0.00 C ATOM 1833 C ALA C 41 10.235 0.547 -4.719 1.00 0.00 C ATOM 1834 O ALA C 41 9.731 -0.080 -3.791 1.00 0.00 O ATOM 1835 CB ALA C 41 12.207 -0.439 -5.918 1.00 0.00 C ATOM 0 H ALA C 41 12.341 -0.654 -3.316 1.00 0.00 H new ATOM 0 HA ALA C 41 12.019 1.590 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.717 -0.241 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.288 -0.372 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.943 -1.439 -5.575 1.00 0.00 H new ATOM 1841 N VAL C 42 9.510 1.216 -5.618 1.00 0.00 N ATOM 1842 CA VAL C 42 8.053 1.175 -5.626 1.00 0.00 C ATOM 1843 C VAL C 42 7.530 1.515 -7.020 1.00 0.00 C ATOM 1844 O VAL C 42 7.913 2.532 -7.597 1.00 0.00 O ATOM 1845 CB VAL C 42 7.478 2.119 -4.559 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.288 3.411 -4.440 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.018 2.482 -4.842 1.00 0.00 C ATOM 0 H VAL C 42 9.915 1.795 -6.353 1.00 0.00 H new ATOM 0 HA VAL C 42 7.723 0.166 -5.378 1.00 0.00 H new ATOM 0 HB VAL C 42 7.537 1.571 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.846 4.048 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.315 3.172 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.281 3.934 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.652 3.151 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL C 42 5.948 2.979 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.414 1.575 -4.855 1.00 0.00 H new ATOM 1857 N HIS C 43 6.653 0.657 -7.548 1.00 0.00 N ATOM 1858 CA HIS C 43 6.014 0.838 -8.848 1.00 0.00 C ATOM 1859 C HIS C 43 4.707 0.050 -8.857 1.00 0.00 C ATOM 1860 O HIS C 43 4.445 -0.700 -7.918 1.00 0.00 O ATOM 1861 CB HIS C 43 6.907 0.309 -9.981 1.00 0.00 C ATOM 1862 CG HIS C 43 8.381 0.551 -9.797 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.092 1.643 -10.299 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.235 -0.265 -9.111 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.361 1.455 -9.900 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.476 0.320 -9.189 1.00 0.00 N ATOM 0 H HIS C 43 6.364 -0.198 -7.073 1.00 0.00 H new ATOM 0 HA HIS C 43 5.838 1.902 -9.007 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.741 -0.763 -10.084 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.593 0.771 -10.917 1.00 0.00 H new ATOM 0 HD1 HIS C 43 8.726 2.418 -10.851 1.00 0.00 H new ATOM 0 HD2 HIS C 43 8.985 -1.187 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.178 2.125 -10.121 1.00 0.00 H new ATOM 1874 N ARG C 44 3.880 0.200 -9.897 1.00 0.00 N ATOM 1875 CA ARG C 44 2.669 -0.608 -9.991 1.00 0.00 C ATOM 1876 C ARG C 44 3.050 -1.981 -10.539 1.00 0.00 C ATOM 1877 O ARG C 44 4.156 -2.157 -11.051 1.00 0.00 O ATOM 1878 CB ARG C 44 1.598 0.109 -10.820 1.00 0.00 C ATOM 1879 CG ARG C 44 1.679 -0.210 -12.311 1.00 0.00 C ATOM 1880 CD ARG C 44 0.914 0.841 -13.119 1.00 0.00 C ATOM 1881 NE ARG C 44 1.651 2.108 -13.099 1.00 0.00 N ATOM 1882 CZ ARG C 44 2.336 2.601 -14.133 1.00 0.00 C ATOM 1883 NH1 ARG C 44 2.296 2.034 -15.335 1.00 0.00 N ATOM 1884 NH2 ARG C 44 3.073 3.691 -13.963 1.00 0.00 N ATOM 0 H ARG C 44 4.024 0.856 -10.665 1.00 0.00 H new ATOM 0 HA ARG C 44 2.221 -0.752 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG C 44 0.612 -0.170 -10.448 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.699 1.185 -10.679 1.00 0.00 H new ATOM 0 HG2 ARG C 44 2.721 -0.236 -12.629 1.00 0.00 H new ATOM 0 HG3 ARG C 44 1.263 -1.199 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG C 44 0.783 0.501 -14.146 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -0.083 0.982 -12.701 1.00 0.00 H new ATOM 0 HE ARG C 44 1.640 2.650 -12.235 1.00 0.00 H new ATOM 0 HH11 ARG C 44 1.731 1.199 -15.486 1.00 0.00 H new ATOM 0 HH12 ARG C 44 2.831 2.434 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG C 44 3.112 4.143 -13.049 1.00 0.00 H new ATOM 0 HH22 ARG C 44 3.601 4.077 -14.746 1.00 0.00 H new ATOM 1898 N GLU C 45 2.149 -2.956 -10.443 1.00 0.00 N ATOM 1899 CA GLU C 45 2.460 -4.325 -10.836 1.00 0.00 C ATOM 1900 C GLU C 45 2.885 -4.422 -12.304 1.00 0.00 C ATOM 1901 O GLU C 45 3.577 -5.362 -12.684 1.00 0.00 O ATOM 1902 CB GLU C 45 1.243 -5.195 -10.511 1.00 0.00 C ATOM 1903 CG GLU C 45 1.564 -6.686 -10.382 1.00 0.00 C ATOM 1904 CD GLU C 45 1.770 -7.385 -11.720 1.00 0.00 C ATOM 1905 OE1 GLU C 45 0.947 -7.151 -12.635 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.754 -8.155 -11.815 1.00 0.00 O ATOM 0 H GLU C 45 1.199 -2.822 -10.097 1.00 0.00 H new ATOM 0 HA GLU C 45 3.321 -4.687 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.798 -4.847 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.494 -5.061 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.464 -6.804 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.753 -7.178 -9.846 1.00 0.00 H new ATOM 1913 N GLU C 46 2.477 -3.453 -13.131 1.00 0.00 N ATOM 1914 CA GLU C 46 2.821 -3.420 -14.544 1.00 0.00 C ATOM 1915 C GLU C 46 4.301 -3.125 -14.765 1.00 0.00 C ATOM 1916 O GLU C 46 4.916 -3.695 -15.665 1.00 0.00 O ATOM 1917 CB GLU C 46 1.999 -2.315 -15.207 1.00 0.00 C ATOM 1918 CG GLU C 46 2.191 -2.290 -16.725 1.00 0.00 C ATOM 1919 CD GLU C 46 1.334 -1.200 -17.368 1.00 0.00 C ATOM 1920 OE1 GLU C 46 1.187 -0.128 -16.738 1.00 0.00 O ATOM 1921 OE2 GLU C 46 0.828 -1.451 -18.485 1.00 0.00 O ATOM 0 H GLU C 46 1.897 -2.670 -12.831 1.00 0.00 H new ATOM 0 HA GLU C 46 2.606 -4.398 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU C 46 0.943 -2.461 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.286 -1.350 -14.789 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.241 -2.117 -16.959 1.00 0.00 H new ATOM 0 HG3 GLU C 46 1.926 -3.261 -17.145 1.00 0.00 H new ATOM 1928 N ILE C 47 4.879 -2.240 -13.952 1.00 0.00 N ATOM 1929 CA ILE C 47 6.252 -1.809 -14.154 1.00 0.00 C ATOM 1930 C ILE C 47 7.191 -2.720 -13.376 1.00 0.00 C ATOM 1931 O ILE C 47 8.360 -2.853 -13.728 1.00 0.00 O ATOM 1932 CB ILE C 47 6.410 -0.355 -13.697 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.337 0.574 -14.285 1.00 0.00 C ATOM 1934 CG2 ILE C 47 7.801 0.170 -14.067 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.169 0.416 -15.796 1.00 0.00 C ATOM 0 H ILE C 47 4.415 -1.812 -13.151 1.00 0.00 H new ATOM 0 HA ILE C 47 6.503 -1.869 -15.213 1.00 0.00 H new ATOM 0 HB ILE C 47 6.285 -0.353 -12.614 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.384 0.373 -13.797 1.00 0.00 H new ATOM 0 HG13 ILE C 47 5.598 1.608 -14.061 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.899 1.204 -13.736 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.562 -0.441 -13.580 1.00 0.00 H new ATOM 0 HG23 ILE C 47 7.933 0.121 -15.148 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.397 1.099 -16.150 1.00 0.00 H new ATOM 0 HD12 ILE C 47 6.112 0.645 -16.293 1.00 0.00 H new ATOM 0 HD13 ILE C 47 4.878 -0.609 -16.025 1.00 0.00 H new ATOM 1947 N TYR C 48 6.678 -3.354 -12.315 1.00 0.00 N ATOM 1948 CA TYR C 48 7.460 -4.247 -11.485 1.00 0.00 C ATOM 1949 C TYR C 48 8.022 -5.417 -12.294 1.00 0.00 C ATOM 1950 O TYR C 48 9.073 -5.960 -11.957 1.00 0.00 O ATOM 1951 CB TYR C 48 6.572 -4.772 -10.368 1.00 0.00 C ATOM 1952 CG TYR C 48 7.299 -5.673 -9.398 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.101 -5.111 -8.391 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.174 -7.063 -9.508 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.753 -5.942 -7.472 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.808 -7.897 -8.582 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.600 -7.339 -7.555 1.00 0.00 C ATOM 1958 OH TYR C 48 9.217 -8.151 -6.654 1.00 0.00 O ATOM 0 H TYR C 48 5.708 -3.255 -12.016 1.00 0.00 H new ATOM 0 HA TYR C 48 8.306 -3.695 -11.074 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.150 -3.928 -9.822 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.737 -5.319 -10.805 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.215 -4.039 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.588 -7.491 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.373 -5.511 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.692 -8.968 -8.652 1.00 0.00 H new ATOM 0 HH TYR C 48 9.004 -9.086 -6.857 1.00 0.00 H new