USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= 0.359 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.766 K(o=1.1,f=0.37) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.0916 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -154:sc= -1.51! USER MOD Single : A 11 SER OG : rot 180:sc= -0.415 USER MOD Single : A 17 THR OG1 : rot 112:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.72) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.0508 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 36 GLN : amide:sc= -1.95! C(o=-2!,f=-3.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.333 K(o=0.33,f=-9.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -74:sc= 1.26 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0918 X(o=0.092,f=-0.092) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 25:sc= 0.585 USER MOD Single : A 65 THR OG1 : rot 160:sc= 0.0471 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 58:sc= 0.0321 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 131:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.005 5.706 15.768 1.00 0.00 N ATOM 2 CA ALA A 1 -16.720 4.567 15.155 1.00 0.00 C ATOM 3 C ALA A 1 -15.784 3.378 15.006 1.00 0.00 C ATOM 4 O ALA A 1 -14.565 3.539 15.049 1.00 0.00 O ATOM 5 CB ALA A 1 -17.296 4.969 13.806 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.418 5.915 16.699 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.000 5.464 15.881 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.093 6.542 15.155 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.544 4.278 15.807 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.820 4.120 13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.993 5.796 13.940 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.488 5.280 13.143 1.00 0.00 H new ATOM 11 N ALA A 2 -16.348 2.192 14.836 1.00 0.00 N ATOM 12 CA ALA A 2 -15.550 0.988 14.687 1.00 0.00 C ATOM 13 C ALA A 2 -15.536 0.523 13.239 1.00 0.00 C ATOM 14 O ALA A 2 -16.531 -0.002 12.738 1.00 0.00 O ATOM 15 CB ALA A 2 -16.083 -0.116 15.588 1.00 0.00 C ATOM 0 H ALA A 2 -17.356 2.039 14.798 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.527 1.220 14.983 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.474 -1.012 15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.042 0.211 16.627 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.115 -0.339 15.318 1.00 0.00 H new ATOM 21 N PRO A 3 -14.413 0.720 12.541 1.00 0.00 N ATOM 22 CA PRO A 3 -14.272 0.313 11.150 1.00 0.00 C ATOM 23 C PRO A 3 -13.911 -1.165 11.027 1.00 0.00 C ATOM 24 O PRO A 3 -13.589 -1.821 12.020 1.00 0.00 O ATOM 25 CB PRO A 3 -13.132 1.196 10.649 1.00 0.00 C ATOM 26 CG PRO A 3 -12.286 1.456 11.851 1.00 0.00 C ATOM 27 CD PRO A 3 -13.186 1.354 13.059 1.00 0.00 C ATOM 0 HA PRO A 3 -15.195 0.428 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.562 0.697 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.511 2.126 10.224 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.474 0.732 11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.829 2.444 11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.730 0.755 13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.394 2.335 13.485 1.00 0.00 H new ATOM 35 N THR A 4 -13.975 -1.688 9.817 1.00 0.00 N ATOM 36 CA THR A 4 -13.651 -3.082 9.572 1.00 0.00 C ATOM 37 C THR A 4 -12.488 -3.196 8.591 1.00 0.00 C ATOM 38 O THR A 4 -12.613 -2.841 7.417 1.00 0.00 O ATOM 39 CB THR A 4 -14.869 -3.842 9.012 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.081 -3.174 9.401 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.892 -5.277 9.521 1.00 0.00 C ATOM 0 H THR A 4 -14.250 -1.166 8.985 1.00 0.00 H new ATOM 0 HA THR A 4 -13.365 -3.528 10.525 1.00 0.00 H new ATOM 0 HB THR A 4 -14.793 -3.859 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.852 -3.660 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.760 -5.794 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.983 -5.790 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.949 -5.276 10.610 1.00 0.00 H new ATOM 49 N ALA A 5 -11.353 -3.673 9.080 1.00 0.00 N ATOM 50 CA ALA A 5 -10.171 -3.831 8.247 1.00 0.00 C ATOM 51 C ALA A 5 -10.010 -5.287 7.832 1.00 0.00 C ATOM 52 O ALA A 5 -9.785 -6.158 8.672 1.00 0.00 O ATOM 53 CB ALA A 5 -8.932 -3.343 8.983 1.00 0.00 C ATOM 0 H ALA A 5 -11.226 -3.958 10.051 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.294 -3.227 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.057 -3.469 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.050 -2.289 9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.801 -3.922 9.897 1.00 0.00 H new ATOM 59 N THR A 6 -10.142 -5.548 6.541 1.00 0.00 N ATOM 60 CA THR A 6 -10.008 -6.901 6.022 1.00 0.00 C ATOM 61 C THR A 6 -8.968 -6.960 4.911 1.00 0.00 C ATOM 62 O THR A 6 -9.250 -6.632 3.760 1.00 0.00 O ATOM 63 CB THR A 6 -11.358 -7.428 5.494 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.290 -6.344 5.361 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.935 -8.478 6.427 1.00 0.00 C ATOM 0 H THR A 6 -10.342 -4.841 5.833 1.00 0.00 H new ATOM 0 HA THR A 6 -9.680 -7.534 6.846 1.00 0.00 H new ATOM 0 HB THR A 6 -11.185 -7.885 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.908 -5.654 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.887 -8.833 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.241 -9.315 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.092 -8.041 7.413 1.00 0.00 H new ATOM 73 N VAL A 7 -7.757 -7.362 5.263 1.00 0.00 N ATOM 74 CA VAL A 7 -6.680 -7.463 4.292 1.00 0.00 C ATOM 75 C VAL A 7 -6.175 -8.897 4.198 1.00 0.00 C ATOM 76 O VAL A 7 -6.167 -9.628 5.190 1.00 0.00 O ATOM 77 CB VAL A 7 -5.500 -6.527 4.642 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.926 -5.070 4.571 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.937 -6.846 6.017 1.00 0.00 C ATOM 0 H VAL A 7 -7.496 -7.623 6.214 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.089 -7.155 3.330 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.715 -6.694 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.079 -4.431 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.269 -4.840 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.736 -4.893 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.109 -6.172 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.717 -6.719 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.581 -7.876 6.034 1.00 0.00 H new ATOM 89 N THR A 8 -5.772 -9.298 3.006 1.00 0.00 N ATOM 90 CA THR A 8 -5.257 -10.638 2.783 1.00 0.00 C ATOM 91 C THR A 8 -3.743 -10.591 2.563 1.00 0.00 C ATOM 92 O THR A 8 -3.273 -10.333 1.453 1.00 0.00 O ATOM 93 CB THR A 8 -5.954 -11.291 1.575 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.369 -11.069 1.664 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.679 -12.786 1.523 1.00 0.00 C ATOM 0 H THR A 8 -5.792 -8.711 2.172 1.00 0.00 H new ATOM 0 HA THR A 8 -5.465 -11.241 3.667 1.00 0.00 H new ATOM 0 HB THR A 8 -5.559 -10.838 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.814 -11.482 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.184 -13.219 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.606 -12.956 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.050 -13.256 2.434 1.00 0.00 H new ATOM 103 N PRO A 9 -2.959 -10.818 3.632 1.00 0.00 N ATOM 104 CA PRO A 9 -1.495 -10.777 3.577 1.00 0.00 C ATOM 105 C PRO A 9 -0.893 -11.980 2.853 1.00 0.00 C ATOM 106 O PRO A 9 -1.280 -13.122 3.094 1.00 0.00 O ATOM 107 CB PRO A 9 -1.071 -10.782 5.056 1.00 0.00 C ATOM 108 CG PRO A 9 -2.328 -10.587 5.837 1.00 0.00 C ATOM 109 CD PRO A 9 -3.431 -11.131 4.983 1.00 0.00 C ATOM 0 HA PRO A 9 -1.145 -9.908 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.587 -11.722 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.355 -9.986 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.279 -11.110 6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.490 -9.532 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.568 -12.203 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.387 -10.655 5.201 1.00 0.00 H new ATOM 117 N SER A 10 0.072 -11.714 1.983 1.00 0.00 N ATOM 118 CA SER A 10 0.744 -12.762 1.226 1.00 0.00 C ATOM 119 C SER A 10 1.915 -13.346 2.022 1.00 0.00 C ATOM 120 O SER A 10 2.970 -13.644 1.465 1.00 0.00 O ATOM 121 CB SER A 10 1.243 -12.191 -0.101 1.00 0.00 C ATOM 122 OG SER A 10 0.244 -11.392 -0.711 1.00 0.00 O ATOM 0 H SER A 10 0.409 -10.772 1.783 1.00 0.00 H new ATOM 0 HA SER A 10 0.033 -13.565 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.139 -11.594 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.523 -13.005 -0.770 1.00 0.00 H new ATOM 0 HG SER A 10 0.384 -11.378 -1.681 1.00 0.00 H new ATOM 128 N SER A 11 1.715 -13.503 3.325 1.00 0.00 N ATOM 129 CA SER A 11 2.737 -14.041 4.210 1.00 0.00 C ATOM 130 C SER A 11 3.111 -15.469 3.814 1.00 0.00 C ATOM 131 O SER A 11 2.308 -16.389 3.955 1.00 0.00 O ATOM 132 CB SER A 11 2.228 -14.013 5.652 1.00 0.00 C ATOM 133 OG SER A 11 1.354 -12.912 5.863 1.00 0.00 O ATOM 0 H SER A 11 0.843 -13.262 3.795 1.00 0.00 H new ATOM 0 HA SER A 11 3.631 -13.423 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.706 -14.944 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.072 -13.948 6.338 1.00 0.00 H new ATOM 0 HG SER A 11 1.040 -12.917 6.791 1.00 0.00 H new ATOM 139 N GLY A 12 4.319 -15.641 3.295 1.00 0.00 N ATOM 140 CA GLY A 12 4.771 -16.959 2.898 1.00 0.00 C ATOM 141 C GLY A 12 4.663 -17.190 1.404 1.00 0.00 C ATOM 142 O GLY A 12 5.018 -18.258 0.906 1.00 0.00 O ATOM 0 H GLY A 12 4.994 -14.891 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.808 -17.091 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.183 -17.713 3.421 1.00 0.00 H new ATOM 146 N LEU A 13 4.180 -16.193 0.678 1.00 0.00 N ATOM 147 CA LEU A 13 4.030 -16.311 -0.765 1.00 0.00 C ATOM 148 C LEU A 13 5.170 -15.592 -1.475 1.00 0.00 C ATOM 149 O LEU A 13 5.902 -14.825 -0.857 1.00 0.00 O ATOM 150 CB LEU A 13 2.673 -15.757 -1.201 1.00 0.00 C ATOM 151 CG LEU A 13 1.470 -16.558 -0.692 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.162 -15.851 -1.008 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.464 -17.951 -1.294 1.00 0.00 C ATOM 0 H LEU A 13 3.886 -15.295 1.063 1.00 0.00 H new ATOM 0 HA LEU A 13 4.071 -17.365 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.584 -14.729 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.639 -15.726 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 13 1.562 -16.639 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.672 -16.445 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.153 -14.871 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.066 -15.729 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.603 -18.505 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.406 -17.878 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.379 -18.472 -1.014 1.00 0.00 H new ATOM 165 N SER A 14 5.329 -15.854 -2.764 1.00 0.00 N ATOM 166 CA SER A 14 6.396 -15.240 -3.543 1.00 0.00 C ATOM 167 C SER A 14 5.950 -13.906 -4.138 1.00 0.00 C ATOM 168 O SER A 14 4.818 -13.469 -3.922 1.00 0.00 O ATOM 169 CB SER A 14 6.828 -16.196 -4.654 1.00 0.00 C ATOM 170 OG SER A 14 6.506 -17.542 -4.325 1.00 0.00 O ATOM 0 H SER A 14 4.732 -16.489 -3.294 1.00 0.00 H new ATOM 0 HA SER A 14 7.239 -15.043 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.338 -15.919 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.902 -16.105 -4.819 1.00 0.00 H new ATOM 0 HG SER A 14 6.791 -18.134 -5.052 1.00 0.00 H new ATOM 176 N ASP A 15 6.841 -13.254 -4.879 1.00 0.00 N ATOM 177 CA ASP A 15 6.516 -11.981 -5.509 1.00 0.00 C ATOM 178 C ASP A 15 5.594 -12.219 -6.694 1.00 0.00 C ATOM 179 O ASP A 15 5.571 -13.309 -7.262 1.00 0.00 O ATOM 180 CB ASP A 15 7.783 -11.237 -5.953 1.00 0.00 C ATOM 181 CG ASP A 15 8.391 -11.797 -7.223 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.199 -12.744 -7.132 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.076 -11.285 -8.317 1.00 0.00 O ATOM 0 H ASP A 15 7.789 -13.585 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 15 6.008 -11.354 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.544 -10.185 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.522 -11.283 -5.153 1.00 0.00 H new ATOM 188 N GLY A 16 4.829 -11.206 -7.058 1.00 0.00 N ATOM 189 CA GLY A 16 3.899 -11.342 -8.158 1.00 0.00 C ATOM 190 C GLY A 16 2.527 -11.747 -7.667 1.00 0.00 C ATOM 191 O GLY A 16 1.564 -11.803 -8.434 1.00 0.00 O ATOM 0 H GLY A 16 4.834 -10.289 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.831 -10.398 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.271 -12.087 -8.862 1.00 0.00 H new ATOM 195 N THR A 17 2.450 -12.029 -6.377 1.00 0.00 N ATOM 196 CA THR A 17 1.209 -12.428 -5.747 1.00 0.00 C ATOM 197 C THR A 17 0.313 -11.217 -5.516 1.00 0.00 C ATOM 198 O THR A 17 0.754 -10.197 -4.980 1.00 0.00 O ATOM 199 CB THR A 17 1.479 -13.138 -4.407 1.00 0.00 C ATOM 200 OG1 THR A 17 2.408 -14.213 -4.604 1.00 0.00 O ATOM 201 CG2 THR A 17 0.190 -13.674 -3.805 1.00 0.00 C ATOM 0 H THR A 17 3.246 -11.987 -5.741 1.00 0.00 H new ATOM 0 HA THR A 17 0.702 -13.123 -6.416 1.00 0.00 H new ATOM 0 HB THR A 17 1.904 -12.412 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.255 -13.999 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.409 -14.171 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.501 -12.849 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.264 -14.387 -4.493 1.00 0.00 H new ATOM 209 N VAL A 18 -0.935 -11.338 -5.933 1.00 0.00 N ATOM 210 CA VAL A 18 -1.907 -10.269 -5.784 1.00 0.00 C ATOM 211 C VAL A 18 -2.388 -10.166 -4.342 1.00 0.00 C ATOM 212 O VAL A 18 -2.891 -11.136 -3.770 1.00 0.00 O ATOM 213 CB VAL A 18 -3.115 -10.481 -6.722 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.245 -9.521 -6.387 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.692 -10.320 -8.174 1.00 0.00 C ATOM 0 H VAL A 18 -1.302 -12.177 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.411 -9.338 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.483 -11.496 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.082 -9.694 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.569 -9.685 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.895 -8.495 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.554 -10.472 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.294 -9.317 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.924 -11.055 -8.413 1.00 0.00 H new ATOM 225 N VAL A 19 -2.209 -8.990 -3.761 1.00 0.00 N ATOM 226 CA VAL A 19 -2.626 -8.721 -2.397 1.00 0.00 C ATOM 227 C VAL A 19 -3.973 -8.007 -2.408 1.00 0.00 C ATOM 228 O VAL A 19 -4.112 -6.945 -3.017 1.00 0.00 O ATOM 229 CB VAL A 19 -1.591 -7.843 -1.662 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.939 -7.716 -0.185 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.186 -8.399 -1.841 1.00 0.00 C ATOM 0 H VAL A 19 -1.769 -8.195 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.709 -9.672 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.619 -6.846 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.195 -7.093 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.923 -7.259 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.948 -8.705 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.526 -7.764 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.140 -9.410 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.064 -8.422 -2.902 1.00 0.00 H new ATOM 241 N LYS A 20 -4.965 -8.601 -1.766 1.00 0.00 N ATOM 242 CA LYS A 20 -6.291 -8.012 -1.718 1.00 0.00 C ATOM 243 C LYS A 20 -6.480 -7.175 -0.457 1.00 0.00 C ATOM 244 O LYS A 20 -6.183 -7.618 0.656 1.00 0.00 O ATOM 245 CB LYS A 20 -7.368 -9.094 -1.788 1.00 0.00 C ATOM 246 CG LYS A 20 -8.781 -8.531 -1.903 1.00 0.00 C ATOM 247 CD LYS A 20 -9.835 -9.630 -1.934 1.00 0.00 C ATOM 248 CE LYS A 20 -9.711 -10.494 -3.175 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.713 -11.591 -3.194 1.00 0.00 N ATOM 0 H LYS A 20 -4.877 -9.489 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.389 -7.358 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.170 -9.739 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.304 -9.719 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.976 -7.866 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.858 -7.929 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.736 -10.254 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.828 -9.182 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.836 -9.874 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.708 -10.919 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.593 -12.156 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.578 -12.199 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.671 -11.187 -3.175 1.00 0.00 H new ATOM 263 N VAL A 21 -6.978 -5.964 -0.650 1.00 0.00 N ATOM 264 CA VAL A 21 -7.231 -5.044 0.445 1.00 0.00 C ATOM 265 C VAL A 21 -8.694 -4.628 0.428 1.00 0.00 C ATOM 266 O VAL A 21 -9.197 -4.175 -0.599 1.00 0.00 O ATOM 267 CB VAL A 21 -6.329 -3.792 0.348 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.689 -2.774 1.421 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.862 -4.183 0.454 1.00 0.00 C ATOM 0 H VAL A 21 -7.218 -5.592 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.000 -5.553 1.381 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.496 -3.330 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.039 -1.904 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.727 -2.466 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.559 -3.222 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.241 -3.290 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.685 -4.674 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.608 -4.866 -0.357 1.00 0.00 H new ATOM 279 N ALA A 22 -9.383 -4.824 1.545 1.00 0.00 N ATOM 280 CA ALA A 22 -10.790 -4.462 1.652 1.00 0.00 C ATOM 281 C ALA A 22 -11.070 -3.742 2.963 1.00 0.00 C ATOM 282 O ALA A 22 -11.023 -4.341 4.039 1.00 0.00 O ATOM 283 CB ALA A 22 -11.666 -5.699 1.533 1.00 0.00 C ATOM 0 H ALA A 22 -8.988 -5.233 2.392 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.027 -3.783 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.714 -5.412 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.495 -6.175 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.418 -6.399 2.331 1.00 0.00 H new ATOM 289 N GLY A 23 -11.359 -2.459 2.872 1.00 0.00 N ATOM 290 CA GLY A 23 -11.647 -1.684 4.059 1.00 0.00 C ATOM 291 C GLY A 23 -13.093 -1.246 4.115 1.00 0.00 C ATOM 292 O GLY A 23 -13.613 -0.670 3.156 1.00 0.00 O ATOM 0 H GLY A 23 -11.400 -1.937 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.414 -2.276 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.001 -0.806 4.084 1.00 0.00 H new ATOM 296 N ALA A 24 -13.743 -1.524 5.230 1.00 0.00 N ATOM 297 CA ALA A 24 -15.133 -1.151 5.418 1.00 0.00 C ATOM 298 C ALA A 24 -15.253 -0.184 6.583 1.00 0.00 C ATOM 299 O ALA A 24 -14.475 -0.254 7.535 1.00 0.00 O ATOM 300 CB ALA A 24 -15.995 -2.385 5.651 1.00 0.00 C ATOM 0 H ALA A 24 -13.327 -2.010 6.024 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.491 -0.659 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.033 -2.083 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.922 -3.048 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.648 -2.909 6.542 1.00 0.00 H new ATOM 306 N GLY A 25 -16.218 0.715 6.514 1.00 0.00 N ATOM 307 CA GLY A 25 -16.390 1.686 7.575 1.00 0.00 C ATOM 308 C GLY A 25 -15.495 2.886 7.365 1.00 0.00 C ATOM 309 O GLY A 25 -15.109 3.568 8.314 1.00 0.00 O ATOM 0 H GLY A 25 -16.885 0.792 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.431 2.007 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.164 1.223 8.536 1.00 0.00 H new ATOM 313 N LEU A 26 -15.171 3.138 6.106 1.00 0.00 N ATOM 314 CA LEU A 26 -14.310 4.249 5.733 1.00 0.00 C ATOM 315 C LEU A 26 -15.148 5.472 5.389 1.00 0.00 C ATOM 316 O LEU A 26 -16.363 5.477 5.595 1.00 0.00 O ATOM 317 CB LEU A 26 -13.436 3.862 4.537 1.00 0.00 C ATOM 318 CG LEU A 26 -12.471 2.702 4.783 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.801 2.287 3.483 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.427 3.083 5.827 1.00 0.00 C ATOM 0 H LEU A 26 -15.496 2.580 5.317 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.666 4.489 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.086 3.602 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.859 4.735 4.232 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.040 1.855 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.117 1.460 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.560 1.972 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.245 3.131 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.750 2.244 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.860 3.945 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.924 3.333 6.764 1.00 0.00 H new ATOM 332 N GLN A 27 -14.502 6.499 4.865 1.00 0.00 N ATOM 333 CA GLN A 27 -15.194 7.719 4.489 1.00 0.00 C ATOM 334 C GLN A 27 -15.613 7.655 3.026 1.00 0.00 C ATOM 335 O GLN A 27 -14.771 7.685 2.125 1.00 0.00 O ATOM 336 CB GLN A 27 -14.295 8.931 4.743 1.00 0.00 C ATOM 337 CG GLN A 27 -14.939 10.262 4.391 1.00 0.00 C ATOM 338 CD GLN A 27 -16.257 10.494 5.105 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.466 10.029 6.227 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.154 11.209 4.453 1.00 0.00 N ATOM 0 H GLN A 27 -13.497 6.512 4.690 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.092 7.822 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.009 8.944 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.378 8.818 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.250 11.069 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.104 10.306 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.938 11.575 3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.063 11.396 4.876 1.00 0.00 H new ATOM 349 N ALA A 28 -16.914 7.541 2.798 1.00 0.00 N ATOM 350 CA ALA A 28 -17.452 7.469 1.448 1.00 0.00 C ATOM 351 C ALA A 28 -17.192 8.773 0.704 1.00 0.00 C ATOM 352 O ALA A 28 -17.562 9.847 1.176 1.00 0.00 O ATOM 353 CB ALA A 28 -18.942 7.171 1.487 1.00 0.00 C ATOM 0 H ALA A 28 -17.618 7.496 3.534 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.950 6.660 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.330 7.120 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.109 6.217 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.457 7.962 2.032 1.00 0.00 H new ATOM 359 N GLY A 29 -16.547 8.676 -0.449 1.00 0.00 N ATOM 360 CA GLY A 29 -16.245 9.862 -1.228 1.00 0.00 C ATOM 361 C GLY A 29 -14.777 10.226 -1.172 1.00 0.00 C ATOM 362 O GLY A 29 -14.335 11.158 -1.839 1.00 0.00 O ATOM 0 H GLY A 29 -16.227 7.799 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.537 9.697 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.839 10.698 -0.859 1.00 0.00 H new ATOM 366 N THR A 30 -14.019 9.507 -0.359 1.00 0.00 N ATOM 367 CA THR A 30 -12.593 9.760 -0.232 1.00 0.00 C ATOM 368 C THR A 30 -11.786 8.734 -1.025 1.00 0.00 C ATOM 369 O THR A 30 -12.159 7.560 -1.103 1.00 0.00 O ATOM 370 CB THR A 30 -12.155 9.744 1.247 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.002 10.617 2.006 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.704 10.187 1.403 1.00 0.00 C ATOM 0 H THR A 30 -14.367 8.744 0.222 1.00 0.00 H new ATOM 0 HA THR A 30 -12.398 10.752 -0.640 1.00 0.00 H new ATOM 0 HB THR A 30 -12.241 8.722 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.632 10.731 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.428 10.164 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.056 9.513 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.590 11.201 1.020 1.00 0.00 H new ATOM 380 N ALA A 31 -10.699 9.191 -1.630 1.00 0.00 N ATOM 381 CA ALA A 31 -9.839 8.324 -2.411 1.00 0.00 C ATOM 382 C ALA A 31 -8.770 7.692 -1.526 1.00 0.00 C ATOM 383 O ALA A 31 -8.122 8.377 -0.733 1.00 0.00 O ATOM 384 CB ALA A 31 -9.203 9.110 -3.544 1.00 0.00 C ATOM 0 H ALA A 31 -10.393 10.163 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.441 7.522 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.558 8.452 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.983 9.516 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.610 9.927 -3.132 1.00 0.00 H new ATOM 390 N TYR A 32 -8.607 6.385 -1.652 1.00 0.00 N ATOM 391 CA TYR A 32 -7.622 5.655 -0.874 1.00 0.00 C ATOM 392 C TYR A 32 -6.555 5.083 -1.799 1.00 0.00 C ATOM 393 O TYR A 32 -6.863 4.372 -2.758 1.00 0.00 O ATOM 394 CB TYR A 32 -8.293 4.539 -0.062 1.00 0.00 C ATOM 395 CG TYR A 32 -9.114 5.048 1.108 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.391 5.565 0.919 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.605 5.022 2.400 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.136 6.037 1.981 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.348 5.494 3.467 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.611 6.002 3.251 1.00 0.00 C ATOM 401 OH TYR A 32 -11.355 6.473 4.309 1.00 0.00 O ATOM 0 H TYR A 32 -9.150 5.805 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.147 6.341 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.938 3.958 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.525 3.861 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.808 5.598 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.615 4.628 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.127 6.432 1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.940 5.465 4.466 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.842 6.377 5.138 1.00 0.00 H new ATOM 411 N ASP A 33 -5.308 5.416 -1.523 1.00 0.00 N ATOM 412 CA ASP A 33 -4.190 4.949 -2.331 1.00 0.00 C ATOM 413 C ASP A 33 -3.534 3.755 -1.661 1.00 0.00 C ATOM 414 O ASP A 33 -3.083 3.842 -0.517 1.00 0.00 O ATOM 415 CB ASP A 33 -3.160 6.065 -2.530 1.00 0.00 C ATOM 416 CG ASP A 33 -3.156 6.621 -3.943 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.153 6.429 -4.670 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.153 7.259 -4.331 1.00 0.00 O ATOM 0 H ASP A 33 -5.040 6.012 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.570 4.652 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.367 6.873 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.167 5.683 -2.293 1.00 0.00 H new ATOM 423 N VAL A 34 -3.501 2.635 -2.368 1.00 0.00 N ATOM 424 CA VAL A 34 -2.904 1.418 -1.842 1.00 0.00 C ATOM 425 C VAL A 34 -1.830 0.894 -2.788 1.00 0.00 C ATOM 426 O VAL A 34 -2.054 0.795 -3.997 1.00 0.00 O ATOM 427 CB VAL A 34 -3.964 0.313 -1.626 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.413 -0.795 -0.745 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.243 0.886 -1.029 1.00 0.00 C ATOM 0 H VAL A 34 -3.882 2.545 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.457 1.671 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.208 -0.110 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.175 -1.562 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.537 -1.236 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.131 -0.383 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.969 0.086 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.021 1.347 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.655 1.636 -1.704 1.00 0.00 H new ATOM 439 N GLY A 35 -0.662 0.587 -2.241 1.00 0.00 N ATOM 440 CA GLY A 35 0.413 0.063 -3.051 1.00 0.00 C ATOM 441 C GLY A 35 1.407 -0.722 -2.225 1.00 0.00 C ATOM 442 O GLY A 35 1.276 -0.811 -1.004 1.00 0.00 O ATOM 0 H GLY A 35 -0.442 0.692 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.002 -0.578 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.925 0.885 -3.551 1.00 0.00 H new ATOM 446 N GLN A 36 2.391 -1.310 -2.890 1.00 0.00 N ATOM 447 CA GLN A 36 3.419 -2.071 -2.199 1.00 0.00 C ATOM 448 C GLN A 36 4.515 -1.124 -1.738 1.00 0.00 C ATOM 449 O GLN A 36 5.065 -0.363 -2.537 1.00 0.00 O ATOM 450 CB GLN A 36 3.999 -3.164 -3.102 1.00 0.00 C ATOM 451 CG GLN A 36 4.486 -2.660 -4.454 1.00 0.00 C ATOM 452 CD GLN A 36 5.659 -3.454 -4.995 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.785 -3.646 -6.200 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.534 -3.920 -4.113 1.00 0.00 N ATOM 0 H GLN A 36 2.498 -1.274 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 36 2.973 -2.563 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.829 -3.645 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.239 -3.928 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.664 -2.703 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.774 -1.613 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.399 -3.742 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.342 -4.456 -4.430 1.00 0.00 H new ATOM 463 N CYS A 37 4.819 -1.158 -0.454 1.00 0.00 N ATOM 464 CA CYS A 37 5.832 -0.280 0.107 1.00 0.00 C ATOM 465 C CYS A 37 6.813 -1.050 0.977 1.00 0.00 C ATOM 466 O CYS A 37 6.650 -2.252 1.201 1.00 0.00 O ATOM 467 CB CYS A 37 5.151 0.811 0.933 1.00 0.00 C ATOM 468 SG CYS A 37 3.375 1.012 0.570 1.00 0.00 S ATOM 0 H CYS A 37 4.380 -1.784 0.221 1.00 0.00 H new ATOM 0 HA CYS A 37 6.393 0.168 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.272 0.580 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.658 1.759 0.753 1.00 0.00 H new ATOM 473 N ALA A 38 7.836 -0.348 1.448 1.00 0.00 N ATOM 474 CA ALA A 38 8.850 -0.929 2.315 1.00 0.00 C ATOM 475 C ALA A 38 9.724 0.168 2.902 1.00 0.00 C ATOM 476 O ALA A 38 9.574 1.342 2.546 1.00 0.00 O ATOM 477 CB ALA A 38 9.700 -1.941 1.557 1.00 0.00 C ATOM 0 H ALA A 38 7.985 0.639 1.239 1.00 0.00 H new ATOM 0 HA ALA A 38 8.349 -1.454 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.450 -2.361 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.063 -2.741 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.196 -1.447 0.722 1.00 0.00 H new ATOM 483 N TRP A 39 10.625 -0.212 3.798 1.00 0.00 N ATOM 484 CA TRP A 39 11.529 0.738 4.429 1.00 0.00 C ATOM 485 C TRP A 39 12.549 1.258 3.426 1.00 0.00 C ATOM 486 O TRP A 39 13.496 0.559 3.069 1.00 0.00 O ATOM 487 CB TRP A 39 12.245 0.089 5.611 1.00 0.00 C ATOM 488 CG TRP A 39 11.473 0.176 6.891 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.241 -0.352 7.146 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.884 0.836 8.092 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.859 -0.061 8.432 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.851 0.666 9.034 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.025 1.553 8.463 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.928 1.187 10.321 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.100 2.068 9.741 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.057 1.883 10.656 1.00 0.00 C ATOM 0 H TRP A 39 10.749 -1.177 4.105 1.00 0.00 H new ATOM 0 HA TRP A 39 10.938 1.578 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.436 -0.959 5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.215 0.567 5.747 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.652 -0.917 6.439 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.980 -0.341 8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.833 1.701 7.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.126 1.047 11.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.977 2.623 10.040 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.146 2.299 11.649 1.00 0.00 H new ATOM 507 N VAL A 40 12.341 2.478 2.958 1.00 0.00 N ATOM 508 CA VAL A 40 13.247 3.083 1.996 1.00 0.00 C ATOM 509 C VAL A 40 14.336 3.870 2.730 1.00 0.00 C ATOM 510 O VAL A 40 15.440 4.057 2.219 1.00 0.00 O ATOM 511 CB VAL A 40 12.486 3.988 0.991 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.886 5.207 1.677 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.391 4.397 -0.165 1.00 0.00 C ATOM 0 H VAL A 40 11.554 3.068 3.228 1.00 0.00 H new ATOM 0 HA VAL A 40 13.717 2.287 1.419 1.00 0.00 H new ATOM 0 HB VAL A 40 11.659 3.406 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.361 5.817 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.185 4.883 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.681 5.795 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.835 5.031 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.249 4.947 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.737 3.506 -0.689 1.00 0.00 H new ATOM 523 N ASP A 41 14.025 4.291 3.951 1.00 0.00 N ATOM 524 CA ASP A 41 14.962 5.041 4.780 1.00 0.00 C ATOM 525 C ASP A 41 14.590 4.855 6.242 1.00 0.00 C ATOM 526 O ASP A 41 13.564 4.243 6.546 1.00 0.00 O ATOM 527 CB ASP A 41 14.940 6.532 4.422 1.00 0.00 C ATOM 528 CG ASP A 41 16.264 7.229 4.684 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.101 6.687 5.438 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.478 8.328 4.130 1.00 0.00 O ATOM 0 H ASP A 41 13.121 4.123 4.392 1.00 0.00 H new ATOM 0 HA ASP A 41 15.970 4.666 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.680 6.643 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.157 7.026 4.997 1.00 0.00 H new ATOM 535 N THR A 42 15.409 5.382 7.139 1.00 0.00 N ATOM 536 CA THR A 42 15.154 5.274 8.565 1.00 0.00 C ATOM 537 C THR A 42 13.883 6.030 8.949 1.00 0.00 C ATOM 538 O THR A 42 13.864 7.261 8.993 1.00 0.00 O ATOM 539 CB THR A 42 16.344 5.817 9.374 1.00 0.00 C ATOM 540 OG1 THR A 42 17.574 5.299 8.838 1.00 0.00 O ATOM 541 CG2 THR A 42 16.225 5.435 10.841 1.00 0.00 C ATOM 0 H THR A 42 16.260 5.891 6.902 1.00 0.00 H new ATOM 0 HA THR A 42 15.020 4.218 8.799 1.00 0.00 H new ATOM 0 HB THR A 42 16.340 6.904 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.329 5.649 9.355 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.079 5.831 11.391 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.305 5.850 11.252 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.206 4.349 10.934 1.00 0.00 H new ATOM 549 N GLY A 43 12.813 5.280 9.179 1.00 0.00 N ATOM 550 CA GLY A 43 11.549 5.874 9.547 1.00 0.00 C ATOM 551 C GLY A 43 10.790 6.397 8.347 1.00 0.00 C ATOM 552 O GLY A 43 9.783 7.088 8.494 1.00 0.00 O ATOM 0 H GLY A 43 12.802 4.262 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.939 5.134 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.724 6.690 10.248 1.00 0.00 H new ATOM 556 N VAL A 44 11.269 6.069 7.155 1.00 0.00 N ATOM 557 CA VAL A 44 10.622 6.515 5.931 1.00 0.00 C ATOM 558 C VAL A 44 10.216 5.326 5.075 1.00 0.00 C ATOM 559 O VAL A 44 11.060 4.527 4.659 1.00 0.00 O ATOM 560 CB VAL A 44 11.537 7.433 5.092 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.763 8.046 3.935 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.158 8.520 5.954 1.00 0.00 C ATOM 0 H VAL A 44 12.101 5.497 7.011 1.00 0.00 H new ATOM 0 HA VAL A 44 9.741 7.080 6.234 1.00 0.00 H new ATOM 0 HB VAL A 44 12.344 6.823 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.424 8.690 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.376 7.253 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.933 8.635 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.798 9.152 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.369 9.126 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.753 8.062 6.744 1.00 0.00 H new ATOM 572 N LEU A 45 8.926 5.200 4.835 1.00 0.00 N ATOM 573 CA LEU A 45 8.404 4.128 4.012 1.00 0.00 C ATOM 574 C LEU A 45 7.781 4.723 2.761 1.00 0.00 C ATOM 575 O LEU A 45 7.137 5.770 2.825 1.00 0.00 O ATOM 576 CB LEU A 45 7.375 3.299 4.781 1.00 0.00 C ATOM 577 CG LEU A 45 7.956 2.302 5.789 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.368 3.007 7.071 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.954 1.200 6.087 1.00 0.00 C ATOM 0 H LEU A 45 8.215 5.833 5.202 1.00 0.00 H new ATOM 0 HA LEU A 45 9.221 3.462 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.708 3.979 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.765 2.750 4.063 1.00 0.00 H new ATOM 0 HG LEU A 45 8.845 1.852 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.777 2.279 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.124 3.759 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.498 3.489 7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.384 0.501 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.047 1.636 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.711 0.670 5.166 1.00 0.00 H new ATOM 591 N ALA A 46 7.982 4.072 1.632 1.00 0.00 N ATOM 592 CA ALA A 46 7.449 4.562 0.372 1.00 0.00 C ATOM 593 C ALA A 46 6.949 3.409 -0.486 1.00 0.00 C ATOM 594 O ALA A 46 7.483 2.302 -0.408 1.00 0.00 O ATOM 595 CB ALA A 46 8.515 5.357 -0.359 1.00 0.00 C ATOM 0 H ALA A 46 8.510 3.202 1.559 1.00 0.00 H new ATOM 0 HA ALA A 46 6.601 5.216 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.112 5.723 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.824 6.202 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.375 4.717 -0.555 1.00 0.00 H new ATOM 601 N CYS A 47 5.931 3.671 -1.300 1.00 0.00 N ATOM 602 CA CYS A 47 5.347 2.641 -2.155 1.00 0.00 C ATOM 603 C CYS A 47 5.678 2.883 -3.622 1.00 0.00 C ATOM 604 O CYS A 47 6.102 3.975 -4.001 1.00 0.00 O ATOM 605 CB CYS A 47 3.823 2.604 -1.990 1.00 0.00 C ATOM 606 SG CYS A 47 3.239 2.849 -0.283 1.00 0.00 S ATOM 0 H CYS A 47 5.493 4.588 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 47 5.775 1.687 -1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.383 3.374 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.455 1.644 -2.352 1.00 0.00 H new ATOM 611 N ASN A 48 5.486 1.854 -4.438 1.00 0.00 N ATOM 612 CA ASN A 48 5.734 1.945 -5.873 1.00 0.00 C ATOM 613 C ASN A 48 4.501 2.510 -6.581 1.00 0.00 C ATOM 614 O ASN A 48 3.400 1.978 -6.440 1.00 0.00 O ATOM 615 CB ASN A 48 6.087 0.565 -6.432 1.00 0.00 C ATOM 616 CG ASN A 48 5.854 0.448 -7.927 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.779 0.043 -8.371 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.855 0.807 -8.716 1.00 0.00 N ATOM 0 H ASN A 48 5.157 0.940 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 48 6.575 2.616 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.133 0.349 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.493 -0.191 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.750 0.753 -9.729 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.731 1.138 -8.311 1.00 0.00 H new ATOM 625 N PRO A 49 4.667 3.595 -7.354 1.00 0.00 N ATOM 626 CA PRO A 49 3.567 4.243 -8.069 1.00 0.00 C ATOM 627 C PRO A 49 3.344 3.686 -9.473 1.00 0.00 C ATOM 628 O PRO A 49 2.876 4.394 -10.363 1.00 0.00 O ATOM 629 CB PRO A 49 4.048 5.685 -8.145 1.00 0.00 C ATOM 630 CG PRO A 49 5.527 5.565 -8.303 1.00 0.00 C ATOM 631 CD PRO A 49 5.940 4.300 -7.583 1.00 0.00 C ATOM 0 HA PRO A 49 2.609 4.098 -7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.598 6.212 -8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.787 6.241 -7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.801 5.517 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.033 6.433 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.625 3.703 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.449 4.522 -6.645 1.00 0.00 H new ATOM 639 N ALA A 50 3.664 2.419 -9.667 1.00 0.00 N ATOM 640 CA ALA A 50 3.486 1.790 -10.966 1.00 0.00 C ATOM 641 C ALA A 50 2.421 0.703 -10.894 1.00 0.00 C ATOM 642 O ALA A 50 1.463 0.707 -11.666 1.00 0.00 O ATOM 643 CB ALA A 50 4.800 1.216 -11.471 1.00 0.00 C ATOM 0 H ALA A 50 4.047 1.807 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 50 3.153 2.552 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.644 0.750 -12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.534 2.016 -11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.166 0.469 -10.766 1.00 0.00 H new ATOM 649 N ASP A 51 2.584 -0.215 -9.950 1.00 0.00 N ATOM 650 CA ASP A 51 1.643 -1.316 -9.780 1.00 0.00 C ATOM 651 C ASP A 51 0.613 -1.001 -8.700 1.00 0.00 C ATOM 652 O ASP A 51 -0.205 -1.850 -8.338 1.00 0.00 O ATOM 653 CB ASP A 51 2.386 -2.606 -9.427 1.00 0.00 C ATOM 654 CG ASP A 51 1.922 -3.782 -10.259 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.720 -4.121 -10.212 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.756 -4.370 -10.973 1.00 0.00 O ATOM 0 H ASP A 51 3.361 -0.219 -9.289 1.00 0.00 H new ATOM 0 HA ASP A 51 1.119 -1.452 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.456 -2.459 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.238 -2.830 -8.371 1.00 0.00 H new ATOM 661 N PHE A 52 0.659 0.221 -8.185 1.00 0.00 N ATOM 662 CA PHE A 52 -0.275 0.644 -7.149 1.00 0.00 C ATOM 663 C PHE A 52 -1.650 0.900 -7.757 1.00 0.00 C ATOM 664 O PHE A 52 -1.786 1.011 -8.978 1.00 0.00 O ATOM 665 CB PHE A 52 0.242 1.902 -6.432 1.00 0.00 C ATOM 666 CG PHE A 52 -0.211 3.205 -7.046 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.203 3.577 -8.316 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.052 4.057 -6.346 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.213 4.771 -8.875 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.469 5.250 -6.900 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.050 5.609 -8.165 1.00 0.00 C ATOM 0 H PHE A 52 1.331 0.935 -8.467 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.362 -0.154 -6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.085 1.872 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.332 1.878 -6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.859 2.926 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.385 3.784 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.116 5.048 -9.866 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.124 5.904 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.376 6.543 -8.599 1.00 0.00 H new ATOM 681 N SER A 53 -2.669 0.995 -6.920 1.00 0.00 N ATOM 682 CA SER A 53 -4.012 1.231 -7.409 1.00 0.00 C ATOM 683 C SER A 53 -4.759 2.225 -6.531 1.00 0.00 C ATOM 684 O SER A 53 -4.742 2.135 -5.301 1.00 0.00 O ATOM 685 CB SER A 53 -4.779 -0.090 -7.497 1.00 0.00 C ATOM 686 OG SER A 53 -4.105 -1.004 -8.349 1.00 0.00 O ATOM 0 H SER A 53 -2.591 0.913 -5.906 1.00 0.00 H new ATOM 0 HA SER A 53 -3.936 1.665 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.885 -0.522 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.785 0.092 -7.874 1.00 0.00 H new ATOM 0 HG SER A 53 -4.609 -1.843 -8.392 1.00 0.00 H new ATOM 692 N SER A 54 -5.389 3.183 -7.184 1.00 0.00 N ATOM 693 CA SER A 54 -6.164 4.201 -6.508 1.00 0.00 C ATOM 694 C SER A 54 -7.627 3.773 -6.440 1.00 0.00 C ATOM 695 O SER A 54 -8.329 3.753 -7.452 1.00 0.00 O ATOM 696 CB SER A 54 -6.019 5.531 -7.250 1.00 0.00 C ATOM 697 OG SER A 54 -4.672 5.975 -7.227 1.00 0.00 O ATOM 0 H SER A 54 -5.377 3.276 -8.200 1.00 0.00 H new ATOM 0 HA SER A 54 -5.796 4.330 -5.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.351 5.415 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.662 6.281 -6.790 1.00 0.00 H new ATOM 0 HG SER A 54 -4.455 6.316 -6.334 1.00 0.00 H new ATOM 703 N VAL A 55 -8.077 3.407 -5.256 1.00 0.00 N ATOM 704 CA VAL A 55 -9.445 2.965 -5.073 1.00 0.00 C ATOM 705 C VAL A 55 -10.240 4.010 -4.299 1.00 0.00 C ATOM 706 O VAL A 55 -9.757 4.573 -3.317 1.00 0.00 O ATOM 707 CB VAL A 55 -9.506 1.595 -4.351 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.837 1.658 -2.984 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.942 1.109 -4.223 1.00 0.00 C ATOM 0 H VAL A 55 -7.514 3.407 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.891 2.841 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.956 0.878 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.897 0.681 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.791 1.940 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.344 2.398 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.956 0.146 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.521 1.832 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.379 1.000 -5.216 1.00 0.00 H new ATOM 719 N THR A 56 -11.447 4.285 -4.756 1.00 0.00 N ATOM 720 CA THR A 56 -12.294 5.262 -4.104 1.00 0.00 C ATOM 721 C THR A 56 -13.415 4.565 -3.344 1.00 0.00 C ATOM 722 O THR A 56 -13.995 3.585 -3.828 1.00 0.00 O ATOM 723 CB THR A 56 -12.869 6.277 -5.122 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.602 7.303 -4.444 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.778 5.603 -6.137 1.00 0.00 C ATOM 0 H THR A 56 -11.862 3.844 -5.577 1.00 0.00 H new ATOM 0 HA THR A 56 -11.684 5.819 -3.393 1.00 0.00 H new ATOM 0 HB THR A 56 -12.023 6.715 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.958 7.938 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.161 6.349 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.214 4.849 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.611 5.127 -5.620 1.00 0.00 H new ATOM 733 N ALA A 57 -13.702 5.063 -2.147 1.00 0.00 N ATOM 734 CA ALA A 57 -14.741 4.486 -1.304 1.00 0.00 C ATOM 735 C ALA A 57 -16.112 4.617 -1.960 1.00 0.00 C ATOM 736 O ALA A 57 -16.455 5.674 -2.492 1.00 0.00 O ATOM 737 CB ALA A 57 -14.736 5.145 0.069 1.00 0.00 C ATOM 0 H ALA A 57 -13.228 5.868 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.529 3.424 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.518 4.703 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.767 4.990 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.920 6.214 -0.040 1.00 0.00 H new ATOM 743 N ASP A 58 -16.887 3.541 -1.921 1.00 0.00 N ATOM 744 CA ASP A 58 -18.217 3.533 -2.527 1.00 0.00 C ATOM 745 C ASP A 58 -19.243 4.195 -1.618 1.00 0.00 C ATOM 746 O ASP A 58 -18.909 4.658 -0.527 1.00 0.00 O ATOM 747 CB ASP A 58 -18.660 2.101 -2.870 1.00 0.00 C ATOM 748 CG ASP A 58 -18.750 1.170 -1.669 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.643 1.640 -0.518 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.933 -0.048 -1.877 1.00 0.00 O ATOM 0 H ASP A 58 -16.620 2.662 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.156 4.108 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.634 2.141 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.960 1.679 -3.591 1.00 0.00 H new ATOM 755 N ALA A 59 -20.493 4.230 -2.074 1.00 0.00 N ATOM 756 CA ALA A 59 -21.582 4.835 -1.312 1.00 0.00 C ATOM 757 C ALA A 59 -21.826 4.096 0.003 1.00 0.00 C ATOM 758 O ALA A 59 -22.410 4.647 0.940 1.00 0.00 O ATOM 759 CB ALA A 59 -22.854 4.856 -2.144 1.00 0.00 C ATOM 0 H ALA A 59 -20.778 3.843 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.292 5.858 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.659 5.309 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.686 5.438 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.130 3.836 -2.413 1.00 0.00 H new ATOM 765 N ASN A 60 -21.372 2.849 0.067 1.00 0.00 N ATOM 766 CA ASN A 60 -21.534 2.027 1.263 1.00 0.00 C ATOM 767 C ASN A 60 -20.511 2.432 2.312 1.00 0.00 C ATOM 768 O ASN A 60 -20.743 2.304 3.515 1.00 0.00 O ATOM 769 CB ASN A 60 -21.356 0.537 0.932 1.00 0.00 C ATOM 770 CG ASN A 60 -22.328 0.045 -0.119 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.519 0.350 -0.075 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.822 -0.699 -1.090 1.00 0.00 N ATOM 0 H ASN A 60 -20.886 2.383 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.541 2.184 1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.337 0.367 0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.485 -0.050 1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.426 -1.041 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.829 -0.930 -1.091 1.00 0.00 H new ATOM 779 N GLY A 61 -19.378 2.932 1.844 1.00 0.00 N ATOM 780 CA GLY A 61 -18.318 3.338 2.737 1.00 0.00 C ATOM 781 C GLY A 61 -17.240 2.281 2.803 1.00 0.00 C ATOM 782 O GLY A 61 -16.562 2.132 3.822 1.00 0.00 O ATOM 0 H GLY A 61 -19.175 3.064 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.890 4.280 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.723 3.514 3.734 1.00 0.00 H new ATOM 786 N SER A 62 -17.091 1.542 1.713 1.00 0.00 N ATOM 787 CA SER A 62 -16.097 0.486 1.639 1.00 0.00 C ATOM 788 C SER A 62 -15.256 0.621 0.372 1.00 0.00 C ATOM 789 O SER A 62 -15.706 1.175 -0.633 1.00 0.00 O ATOM 790 CB SER A 62 -16.788 -0.879 1.678 1.00 0.00 C ATOM 791 OG SER A 62 -18.008 -0.853 0.953 1.00 0.00 O ATOM 0 H SER A 62 -17.649 1.656 0.867 1.00 0.00 H new ATOM 0 HA SER A 62 -15.431 0.573 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.127 -1.637 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.982 -1.163 2.712 1.00 0.00 H new ATOM 0 HG SER A 62 -18.430 -1.737 0.991 1.00 0.00 H new ATOM 797 N ALA A 63 -14.034 0.119 0.426 1.00 0.00 N ATOM 798 CA ALA A 63 -13.134 0.175 -0.715 1.00 0.00 C ATOM 799 C ALA A 63 -12.269 -1.074 -0.764 1.00 0.00 C ATOM 800 O ALA A 63 -11.661 -1.454 0.239 1.00 0.00 O ATOM 801 CB ALA A 63 -12.261 1.420 -0.644 1.00 0.00 C ATOM 0 H ALA A 63 -13.641 -0.334 1.251 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.731 0.223 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.594 1.446 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.893 2.308 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.670 1.399 0.272 1.00 0.00 H new ATOM 807 N SER A 64 -12.224 -1.717 -1.919 1.00 0.00 N ATOM 808 CA SER A 64 -11.428 -2.917 -2.087 1.00 0.00 C ATOM 809 C SER A 64 -10.640 -2.855 -3.390 1.00 0.00 C ATOM 810 O SER A 64 -11.152 -2.410 -4.413 1.00 0.00 O ATOM 811 CB SER A 64 -12.322 -4.162 -2.067 1.00 0.00 C ATOM 812 OG SER A 64 -11.549 -5.344 -1.906 1.00 0.00 O ATOM 0 H SER A 64 -12.731 -1.426 -2.755 1.00 0.00 H new ATOM 0 HA SER A 64 -10.725 -2.981 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.044 -4.082 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.892 -4.220 -2.995 1.00 0.00 H new ATOM 0 HG SER A 64 -10.706 -5.125 -1.456 1.00 0.00 H new ATOM 818 N THR A 65 -9.392 -3.300 -3.340 1.00 0.00 N ATOM 819 CA THR A 65 -8.530 -3.296 -4.510 1.00 0.00 C ATOM 820 C THR A 65 -7.538 -4.462 -4.440 1.00 0.00 C ATOM 821 O THR A 65 -7.545 -5.236 -3.474 1.00 0.00 O ATOM 822 CB THR A 65 -7.783 -1.946 -4.648 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.188 -1.826 -5.949 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.709 -1.792 -3.581 1.00 0.00 C ATOM 0 H THR A 65 -8.954 -3.670 -2.496 1.00 0.00 H new ATOM 0 HA THR A 65 -9.153 -3.421 -5.395 1.00 0.00 H new ATOM 0 HB THR A 65 -8.519 -1.153 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.007 -0.882 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.205 -0.834 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.169 -1.832 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.983 -2.599 -3.676 1.00 0.00 H new ATOM 832 N SER A 66 -6.706 -4.601 -5.463 1.00 0.00 N ATOM 833 CA SER A 66 -5.726 -5.675 -5.519 1.00 0.00 C ATOM 834 C SER A 66 -4.388 -5.149 -6.035 1.00 0.00 C ATOM 835 O SER A 66 -4.334 -4.481 -7.067 1.00 0.00 O ATOM 836 CB SER A 66 -6.246 -6.790 -6.423 1.00 0.00 C ATOM 837 OG SER A 66 -7.593 -7.101 -6.111 1.00 0.00 O ATOM 0 H SER A 66 -6.691 -3.978 -6.271 1.00 0.00 H new ATOM 0 HA SER A 66 -5.570 -6.071 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.171 -6.484 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.626 -7.679 -6.306 1.00 0.00 H new ATOM 0 HG SER A 66 -7.909 -7.816 -6.702 1.00 0.00 H new ATOM 843 N LEU A 67 -3.314 -5.447 -5.312 1.00 0.00 N ATOM 844 CA LEU A 67 -1.981 -4.980 -5.687 1.00 0.00 C ATOM 845 C LEU A 67 -1.054 -6.142 -6.011 1.00 0.00 C ATOM 846 O LEU A 67 -1.158 -7.211 -5.419 1.00 0.00 O ATOM 847 CB LEU A 67 -1.355 -4.162 -4.548 1.00 0.00 C ATOM 848 CG LEU A 67 -2.057 -2.844 -4.191 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.430 -2.070 -5.447 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.284 -3.102 -3.326 1.00 0.00 C ATOM 0 H LEU A 67 -3.339 -6.010 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.099 -4.358 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.325 -4.786 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.322 -3.938 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.360 -2.234 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.926 -1.140 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.528 -1.844 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.103 -2.671 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.765 -2.154 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.984 -3.737 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.981 -3.600 -2.405 1.00 0.00 H new ATOM 862 N THR A 68 -0.148 -5.924 -6.949 1.00 0.00 N ATOM 863 CA THR A 68 0.823 -6.938 -7.325 1.00 0.00 C ATOM 864 C THR A 68 2.193 -6.558 -6.765 1.00 0.00 C ATOM 865 O THR A 68 2.880 -5.693 -7.306 1.00 0.00 O ATOM 866 CB THR A 68 0.903 -7.095 -8.855 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.194 -6.402 -9.466 1.00 0.00 O ATOM 868 CG2 THR A 68 0.863 -8.563 -9.252 1.00 0.00 C ATOM 0 H THR A 68 -0.064 -5.049 -7.467 1.00 0.00 H new ATOM 0 HA THR A 68 0.506 -7.894 -6.908 1.00 0.00 H new ATOM 0 HB THR A 68 1.846 -6.670 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.014 -5.439 -9.464 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.921 -8.648 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.707 -9.085 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.068 -9.009 -8.902 1.00 0.00 H new ATOM 876 N VAL A 69 2.573 -7.191 -5.664 1.00 0.00 N ATOM 877 CA VAL A 69 3.843 -6.896 -5.015 1.00 0.00 C ATOM 878 C VAL A 69 5.026 -7.477 -5.793 1.00 0.00 C ATOM 879 O VAL A 69 5.050 -8.663 -6.120 1.00 0.00 O ATOM 880 CB VAL A 69 3.857 -7.407 -3.551 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.580 -8.907 -3.478 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.173 -7.068 -2.868 1.00 0.00 C ATOM 0 H VAL A 69 2.020 -7.912 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 69 3.950 -5.811 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 69 3.055 -6.896 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.598 -9.230 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.600 -9.117 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.344 -9.446 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.157 -7.437 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.995 -7.536 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.312 -5.987 -2.862 1.00 0.00 H new ATOM 892 N ARG A 70 5.991 -6.621 -6.105 1.00 0.00 N ATOM 893 CA ARG A 70 7.182 -7.033 -6.831 1.00 0.00 C ATOM 894 C ARG A 70 8.362 -7.152 -5.871 1.00 0.00 C ATOM 895 O ARG A 70 8.276 -6.721 -4.721 1.00 0.00 O ATOM 896 CB ARG A 70 7.504 -6.029 -7.945 1.00 0.00 C ATOM 897 CG ARG A 70 6.305 -5.661 -8.810 1.00 0.00 C ATOM 898 CD ARG A 70 5.689 -6.881 -9.476 1.00 0.00 C ATOM 899 NE ARG A 70 4.556 -6.522 -10.330 1.00 0.00 N ATOM 900 CZ ARG A 70 4.060 -7.307 -11.283 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.601 -8.493 -11.529 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.021 -6.895 -11.991 1.00 0.00 N ATOM 0 H ARG A 70 5.970 -5.630 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 70 6.996 -8.006 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.909 -5.121 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.285 -6.446 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.553 -5.165 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.614 -4.948 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.446 -7.390 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.359 -7.584 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 70 4.119 -5.612 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.404 -8.810 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.214 -9.088 -12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.606 -5.982 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.635 -7.490 -12.723 1.00 0.00 H new ATOM 916 N ARG A 71 9.458 -7.727 -6.344 1.00 0.00 N ATOM 917 CA ARG A 71 10.646 -7.906 -5.518 1.00 0.00 C ATOM 918 C ARG A 71 11.490 -6.632 -5.506 1.00 0.00 C ATOM 919 O ARG A 71 11.998 -6.220 -4.463 1.00 0.00 O ATOM 920 CB ARG A 71 11.471 -9.088 -6.032 1.00 0.00 C ATOM 921 CG ARG A 71 12.295 -9.777 -4.957 1.00 0.00 C ATOM 922 CD ARG A 71 11.437 -10.673 -4.070 1.00 0.00 C ATOM 923 NE ARG A 71 10.929 -11.841 -4.787 1.00 0.00 N ATOM 924 CZ ARG A 71 10.784 -13.050 -4.243 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.099 -13.262 -2.972 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.304 -14.041 -4.980 1.00 0.00 N ATOM 0 H ARG A 71 9.551 -8.079 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 71 10.330 -8.116 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.800 -9.818 -6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.139 -8.738 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.078 -10.373 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.791 -9.026 -4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.025 -11.003 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.599 -10.097 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 71 10.669 -11.724 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.456 -12.496 -2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.984 -14.191 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.049 -13.875 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.189 -14.969 -4.574 1.00 0.00 H new ATOM 940 N SER A 72 11.639 -6.020 -6.672 1.00 0.00 N ATOM 941 CA SER A 72 12.398 -4.783 -6.805 1.00 0.00 C ATOM 942 C SER A 72 11.478 -3.663 -7.283 1.00 0.00 C ATOM 943 O SER A 72 10.801 -3.805 -8.305 1.00 0.00 O ATOM 944 CB SER A 72 13.558 -4.973 -7.789 1.00 0.00 C ATOM 945 OG SER A 72 13.536 -6.271 -8.371 1.00 0.00 O ATOM 0 H SER A 72 11.241 -6.363 -7.546 1.00 0.00 H new ATOM 0 HA SER A 72 12.811 -4.514 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.499 -4.219 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.505 -4.820 -7.272 1.00 0.00 H new ATOM 0 HG SER A 72 14.286 -6.362 -8.995 1.00 0.00 H new ATOM 951 N PHE A 73 11.447 -2.559 -6.548 1.00 0.00 N ATOM 952 CA PHE A 73 10.581 -1.442 -6.899 1.00 0.00 C ATOM 953 C PHE A 73 11.146 -0.111 -6.409 1.00 0.00 C ATOM 954 O PHE A 73 12.121 -0.072 -5.659 1.00 0.00 O ATOM 955 CB PHE A 73 9.180 -1.661 -6.308 1.00 0.00 C ATOM 956 CG PHE A 73 9.151 -1.685 -4.799 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.669 -2.763 -4.097 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.609 -0.628 -4.084 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.646 -2.785 -2.718 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.583 -0.646 -2.704 1.00 0.00 C ATOM 961 CZ PHE A 73 9.103 -1.724 -2.021 1.00 0.00 C ATOM 0 H PHE A 73 12.009 -2.414 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 73 10.520 -1.399 -7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.519 -0.870 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.780 -2.603 -6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.096 -3.596 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.202 0.221 -4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.052 -3.631 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.156 0.184 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.086 -1.739 -0.941 1.00 0.00 H new ATOM 971 N GLU A 74 10.522 0.972 -6.846 1.00 0.00 N ATOM 972 CA GLU A 74 10.929 2.314 -6.459 1.00 0.00 C ATOM 973 C GLU A 74 10.063 2.810 -5.312 1.00 0.00 C ATOM 974 O GLU A 74 8.875 2.491 -5.239 1.00 0.00 O ATOM 975 CB GLU A 74 10.809 3.295 -7.637 1.00 0.00 C ATOM 976 CG GLU A 74 11.040 2.675 -9.006 1.00 0.00 C ATOM 977 CD GLU A 74 9.810 1.972 -9.536 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.878 2.658 -9.994 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.764 0.726 -9.479 1.00 0.00 O ATOM 0 H GLU A 74 9.721 0.946 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 74 11.972 2.267 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.816 3.743 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.526 4.103 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.341 3.453 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.864 1.964 -8.945 1.00 0.00 H new ATOM 986 N GLY A 75 10.662 3.587 -4.426 1.00 0.00 N ATOM 987 CA GLY A 75 9.938 4.122 -3.295 1.00 0.00 C ATOM 988 C GLY A 75 9.489 5.545 -3.534 1.00 0.00 C ATOM 989 O GLY A 75 10.318 6.449 -3.682 1.00 0.00 O ATOM 0 H GLY A 75 11.644 3.858 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.069 3.497 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.571 4.085 -2.409 1.00 0.00 H new ATOM 993 N PHE A 76 8.180 5.744 -3.571 1.00 0.00 N ATOM 994 CA PHE A 76 7.605 7.062 -3.790 1.00 0.00 C ATOM 995 C PHE A 76 6.662 7.411 -2.649 1.00 0.00 C ATOM 996 O PHE A 76 5.941 6.549 -2.142 1.00 0.00 O ATOM 997 CB PHE A 76 6.838 7.105 -5.117 1.00 0.00 C ATOM 998 CG PHE A 76 7.689 7.378 -6.330 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.736 6.538 -6.669 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.426 8.478 -7.136 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.508 6.789 -7.790 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.193 8.733 -8.256 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.237 7.888 -8.583 1.00 0.00 C ATOM 0 H PHE A 76 7.491 5.002 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 76 8.417 7.788 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.327 6.152 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.068 7.873 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.953 5.678 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.612 9.142 -6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.322 6.126 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.977 9.591 -8.875 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.840 8.086 -9.457 1.00 0.00 H new ATOM 1013 N LEU A 77 6.679 8.664 -2.235 1.00 0.00 N ATOM 1014 CA LEU A 77 5.815 9.116 -1.163 1.00 0.00 C ATOM 1015 C LEU A 77 4.452 9.498 -1.729 1.00 0.00 C ATOM 1016 O LEU A 77 4.266 9.525 -2.946 1.00 0.00 O ATOM 1017 CB LEU A 77 6.451 10.299 -0.429 1.00 0.00 C ATOM 1018 CG LEU A 77 7.883 10.059 0.063 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.423 11.292 0.764 1.00 0.00 C ATOM 1020 CD2 LEU A 77 7.943 8.859 0.994 1.00 0.00 C ATOM 0 H LEU A 77 7.283 9.387 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 77 5.681 8.307 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.451 11.163 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.826 10.555 0.427 1.00 0.00 H new ATOM 0 HG LEU A 77 8.505 9.852 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.440 11.100 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.425 12.133 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.792 11.529 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.969 8.710 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.301 9.036 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.601 7.970 0.464 1.00 0.00 H new ATOM 1032 N PHE A 78 3.506 9.808 -0.851 1.00 0.00 N ATOM 1033 CA PHE A 78 2.155 10.172 -1.276 1.00 0.00 C ATOM 1034 C PHE A 78 2.132 11.524 -1.987 1.00 0.00 C ATOM 1035 O PHE A 78 1.129 11.898 -2.594 1.00 0.00 O ATOM 1036 CB PHE A 78 1.202 10.183 -0.077 1.00 0.00 C ATOM 1037 CG PHE A 78 0.451 8.895 0.104 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.123 7.686 0.141 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.930 8.893 0.233 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.436 6.498 0.303 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.622 7.709 0.396 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.938 6.510 0.431 1.00 0.00 C ATOM 0 H PHE A 78 3.647 9.815 0.159 1.00 0.00 H new ATOM 0 HA PHE A 78 1.819 9.418 -1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.772 10.392 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.487 10.997 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.198 7.671 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.470 9.828 0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.974 5.562 0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.697 7.721 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.477 5.583 0.558 1.00 0.00 H new ATOM 1052 N ASP A 79 3.240 12.248 -1.915 1.00 0.00 N ATOM 1053 CA ASP A 79 3.351 13.548 -2.567 1.00 0.00 C ATOM 1054 C ASP A 79 4.003 13.397 -3.942 1.00 0.00 C ATOM 1055 O ASP A 79 4.175 14.374 -4.673 1.00 0.00 O ATOM 1056 CB ASP A 79 4.149 14.533 -1.695 1.00 0.00 C ATOM 1057 CG ASP A 79 5.494 13.989 -1.248 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.023 13.075 -1.909 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.033 14.476 -0.232 1.00 0.00 O ATOM 0 H ASP A 79 4.078 11.957 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 79 2.347 13.952 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.306 15.456 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.558 14.789 -0.815 1.00 0.00 H new ATOM 1064 N GLY A 80 4.375 12.161 -4.274 1.00 0.00 N ATOM 1065 CA GLY A 80 4.991 11.877 -5.555 1.00 0.00 C ATOM 1066 C GLY A 80 6.505 11.997 -5.534 1.00 0.00 C ATOM 1067 O GLY A 80 7.153 11.877 -6.573 1.00 0.00 O ATOM 0 H GLY A 80 4.258 11.347 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.718 10.869 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.590 12.561 -6.303 1.00 0.00 H new ATOM 1071 N THR A 81 7.076 12.245 -4.364 1.00 0.00 N ATOM 1072 CA THR A 81 8.520 12.370 -4.238 1.00 0.00 C ATOM 1073 C THR A 81 9.181 11.004 -4.127 1.00 0.00 C ATOM 1074 O THR A 81 8.732 10.143 -3.366 1.00 0.00 O ATOM 1075 CB THR A 81 8.897 13.219 -3.013 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.043 14.366 -2.957 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.351 13.664 -3.072 1.00 0.00 C ATOM 0 H THR A 81 6.563 12.363 -3.491 1.00 0.00 H new ATOM 0 HA THR A 81 8.880 12.866 -5.139 1.00 0.00 H new ATOM 0 HB THR A 81 8.769 12.610 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.108 14.076 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.584 14.262 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.999 12.788 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.513 14.261 -3.969 1.00 0.00 H new ATOM 1085 N ARG A 82 10.244 10.809 -4.892 1.00 0.00 N ATOM 1086 CA ARG A 82 10.969 9.551 -4.874 1.00 0.00 C ATOM 1087 C ARG A 82 12.047 9.582 -3.797 1.00 0.00 C ATOM 1088 O ARG A 82 12.697 10.609 -3.584 1.00 0.00 O ATOM 1089 CB ARG A 82 11.595 9.273 -6.246 1.00 0.00 C ATOM 1090 CG ARG A 82 12.627 10.301 -6.679 1.00 0.00 C ATOM 1091 CD ARG A 82 12.713 10.400 -8.193 1.00 0.00 C ATOM 1092 NE ARG A 82 13.051 9.115 -8.806 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.721 8.775 -10.051 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.079 9.634 -10.830 1.00 0.00 N ATOM 1095 NH2 ARG A 82 13.043 7.578 -10.522 1.00 0.00 N ATOM 0 H ARG A 82 10.623 11.507 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 82 10.268 8.748 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.064 8.289 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.802 9.233 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.368 11.275 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.603 10.031 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.760 10.751 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.464 11.141 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 82 13.571 8.439 -8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.836 10.559 -10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.828 9.370 -11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.544 6.915 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.789 7.320 -11.476 1.00 0.00 H new ATOM 1109 N TRP A 83 12.224 8.470 -3.102 1.00 0.00 N ATOM 1110 CA TRP A 83 13.231 8.389 -2.058 1.00 0.00 C ATOM 1111 C TRP A 83 14.340 7.420 -2.455 1.00 0.00 C ATOM 1112 O TRP A 83 15.339 7.262 -1.746 1.00 0.00 O ATOM 1113 CB TRP A 83 12.591 7.961 -0.740 1.00 0.00 C ATOM 1114 CG TRP A 83 13.212 8.613 0.458 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.141 8.069 1.295 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.950 9.932 0.956 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.474 8.966 2.281 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.756 10.116 2.095 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.114 10.972 0.545 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.744 11.298 2.832 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.105 12.146 1.276 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.917 12.301 2.406 1.00 0.00 C ATOM 0 H TRP A 83 11.686 7.615 -3.241 1.00 0.00 H new ATOM 0 HA TRP A 83 13.673 9.376 -1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.528 8.200 -0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.672 6.879 -0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.555 7.076 1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.147 8.802 3.030 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.486 10.862 -0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.365 11.418 3.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.461 12.957 0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.890 13.232 2.953 1.00 0.00 H new ATOM 1133 N GLY A 84 14.163 6.779 -3.601 1.00 0.00 N ATOM 1134 CA GLY A 84 15.152 5.836 -4.085 1.00 0.00 C ATOM 1135 C GLY A 84 14.550 4.479 -4.375 1.00 0.00 C ATOM 1136 O GLY A 84 13.335 4.300 -4.276 1.00 0.00 O ATOM 0 H GLY A 84 13.350 6.895 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.614 6.228 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.944 5.730 -3.344 1.00 0.00 H new ATOM 1140 N THR A 85 15.390 3.528 -4.743 1.00 0.00 N ATOM 1141 CA THR A 85 14.938 2.181 -5.045 1.00 0.00 C ATOM 1142 C THR A 85 14.871 1.337 -3.775 1.00 0.00 C ATOM 1143 O THR A 85 15.753 1.415 -2.919 1.00 0.00 O ATOM 1144 CB THR A 85 15.875 1.501 -6.062 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.369 2.478 -6.989 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.155 0.400 -6.828 1.00 0.00 C ATOM 0 H THR A 85 16.396 3.665 -4.840 1.00 0.00 H new ATOM 0 HA THR A 85 13.941 2.257 -5.478 1.00 0.00 H new ATOM 0 HB THR A 85 16.703 1.053 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.966 2.044 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.843 -0.060 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.797 -0.355 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.309 0.826 -7.367 1.00 0.00 H new ATOM 1154 N VAL A 86 13.821 0.542 -3.650 1.00 0.00 N ATOM 1155 CA VAL A 86 13.649 -0.314 -2.491 1.00 0.00 C ATOM 1156 C VAL A 86 13.750 -1.776 -2.906 1.00 0.00 C ATOM 1157 O VAL A 86 13.129 -2.199 -3.885 1.00 0.00 O ATOM 1158 CB VAL A 86 12.293 -0.075 -1.790 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.401 -0.373 -0.305 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.802 1.347 -2.013 1.00 0.00 C ATOM 0 H VAL A 86 13.073 0.473 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 86 14.442 -0.068 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 86 11.564 -0.755 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.437 -0.199 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.694 -1.413 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.150 0.279 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.846 1.485 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.530 2.051 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.677 1.526 -3.081 1.00 0.00 H new ATOM 1170 N ASP A 87 14.547 -2.541 -2.178 1.00 0.00 N ATOM 1171 CA ASP A 87 14.731 -3.951 -2.491 1.00 0.00 C ATOM 1172 C ASP A 87 14.037 -4.840 -1.471 1.00 0.00 C ATOM 1173 O ASP A 87 14.325 -4.780 -0.275 1.00 0.00 O ATOM 1174 CB ASP A 87 16.220 -4.309 -2.551 1.00 0.00 C ATOM 1175 CG ASP A 87 16.454 -5.786 -2.823 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.404 -6.595 -1.869 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.689 -6.152 -3.994 1.00 0.00 O ATOM 0 H ASP A 87 15.075 -2.213 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 87 14.282 -4.124 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.701 -3.719 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.694 -4.037 -1.608 1.00 0.00 H new ATOM 1182 N CYS A 88 13.119 -5.660 -1.956 1.00 0.00 N ATOM 1183 CA CYS A 88 12.392 -6.590 -1.109 1.00 0.00 C ATOM 1184 C CYS A 88 12.824 -8.015 -1.427 1.00 0.00 C ATOM 1185 O CYS A 88 12.061 -8.965 -1.261 1.00 0.00 O ATOM 1186 CB CYS A 88 10.882 -6.442 -1.307 1.00 0.00 C ATOM 1187 SG CYS A 88 10.095 -5.243 -0.183 1.00 0.00 S ATOM 0 H CYS A 88 12.858 -5.700 -2.941 1.00 0.00 H new ATOM 0 HA CYS A 88 12.621 -6.365 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.690 -6.138 -2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.412 -7.416 -1.169 1.00 0.00 H new ATOM 1192 N THR A 89 14.057 -8.154 -1.894 1.00 0.00 N ATOM 1193 CA THR A 89 14.603 -9.452 -2.238 1.00 0.00 C ATOM 1194 C THR A 89 15.170 -10.134 -0.996 1.00 0.00 C ATOM 1195 O THR A 89 14.876 -11.301 -0.723 1.00 0.00 O ATOM 1196 CB THR A 89 15.695 -9.323 -3.317 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.283 -8.378 -4.316 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.971 -10.665 -3.974 1.00 0.00 C ATOM 0 H THR A 89 14.699 -7.376 -2.043 1.00 0.00 H new ATOM 0 HA THR A 89 13.795 -10.063 -2.641 1.00 0.00 H new ATOM 0 HB THR A 89 16.610 -8.976 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.003 -7.732 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.745 -10.547 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.307 -11.377 -3.220 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.059 -11.035 -4.442 1.00 0.00 H new ATOM 1206 N THR A 90 15.973 -9.397 -0.239 1.00 0.00 N ATOM 1207 CA THR A 90 16.564 -9.928 0.982 1.00 0.00 C ATOM 1208 C THR A 90 15.800 -9.411 2.202 1.00 0.00 C ATOM 1209 O THR A 90 16.132 -9.726 3.345 1.00 0.00 O ATOM 1210 CB THR A 90 18.065 -9.560 1.089 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.757 -10.515 1.911 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.256 -8.161 1.665 1.00 0.00 C ATOM 0 H THR A 90 16.229 -8.432 -0.449 1.00 0.00 H new ATOM 0 HA THR A 90 16.490 -11.015 0.949 1.00 0.00 H new ATOM 0 HB THR A 90 18.480 -9.578 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.704 -10.271 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.321 -7.935 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.767 -7.432 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.817 -8.115 2.662 1.00 0.00 H new ATOM 1220 N ALA A 91 14.757 -8.629 1.941 1.00 0.00 N ATOM 1221 CA ALA A 91 13.941 -8.057 3.001 1.00 0.00 C ATOM 1222 C ALA A 91 12.466 -8.383 2.782 1.00 0.00 C ATOM 1223 O ALA A 91 12.114 -9.100 1.845 1.00 0.00 O ATOM 1224 CB ALA A 91 14.151 -6.551 3.070 1.00 0.00 C ATOM 0 H ALA A 91 14.458 -8.377 0.999 1.00 0.00 H new ATOM 0 HA ALA A 91 14.248 -8.496 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.535 -6.134 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.201 -6.339 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.868 -6.100 2.119 1.00 0.00 H new ATOM 1230 N ALA A 92 11.612 -7.859 3.650 1.00 0.00 N ATOM 1231 CA ALA A 92 10.178 -8.087 3.555 1.00 0.00 C ATOM 1232 C ALA A 92 9.455 -6.806 3.165 1.00 0.00 C ATOM 1233 O ALA A 92 9.803 -5.719 3.632 1.00 0.00 O ATOM 1234 CB ALA A 92 9.634 -8.618 4.872 1.00 0.00 C ATOM 0 H ALA A 92 11.891 -7.269 4.434 1.00 0.00 H new ATOM 0 HA ALA A 92 10.003 -8.833 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.560 -8.783 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.126 -9.559 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.825 -7.893 5.663 1.00 0.00 H new ATOM 1240 N CYS A 93 8.450 -6.940 2.315 1.00 0.00 N ATOM 1241 CA CYS A 93 7.670 -5.798 1.858 1.00 0.00 C ATOM 1242 C CYS A 93 6.462 -5.587 2.766 1.00 0.00 C ATOM 1243 O CYS A 93 6.125 -6.454 3.570 1.00 0.00 O ATOM 1244 CB CYS A 93 7.203 -6.021 0.419 1.00 0.00 C ATOM 1245 SG CYS A 93 8.178 -5.143 -0.848 1.00 0.00 S ATOM 0 H CYS A 93 8.153 -7.834 1.924 1.00 0.00 H new ATOM 0 HA CYS A 93 8.300 -4.909 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.233 -7.089 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.162 -5.708 0.337 1.00 0.00 H new ATOM 1250 N GLN A 94 5.822 -4.436 2.648 1.00 0.00 N ATOM 1251 CA GLN A 94 4.651 -4.130 3.453 1.00 0.00 C ATOM 1252 C GLN A 94 3.573 -3.476 2.597 1.00 0.00 C ATOM 1253 O GLN A 94 3.872 -2.748 1.650 1.00 0.00 O ATOM 1254 CB GLN A 94 5.021 -3.226 4.638 1.00 0.00 C ATOM 1255 CG GLN A 94 6.241 -2.346 4.390 1.00 0.00 C ATOM 1256 CD GLN A 94 7.221 -2.355 5.551 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.434 -2.302 5.354 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.704 -2.408 6.769 1.00 0.00 N ATOM 0 H GLN A 94 6.094 -3.696 2.001 1.00 0.00 H new ATOM 0 HA GLN A 94 4.258 -5.065 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.169 -2.589 4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.207 -3.849 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.750 -2.685 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.913 -1.323 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.692 -2.451 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.317 -2.406 7.584 1.00 0.00 H new ATOM 1267 N VAL A 95 2.325 -3.755 2.923 1.00 0.00 N ATOM 1268 CA VAL A 95 1.200 -3.198 2.190 1.00 0.00 C ATOM 1269 C VAL A 95 0.809 -1.848 2.772 1.00 0.00 C ATOM 1270 O VAL A 95 0.528 -1.739 3.969 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.019 -4.143 2.232 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.096 -3.679 1.265 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.399 -5.571 1.920 1.00 0.00 C ATOM 0 H VAL A 95 2.062 -4.368 3.695 1.00 0.00 H new ATOM 0 HA VAL A 95 1.510 -3.075 1.152 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.433 -4.118 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.945 -4.361 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.421 -2.675 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.695 -3.669 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.475 -6.222 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.842 -5.611 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.130 -5.905 2.656 1.00 0.00 H new ATOM 1283 N GLY A 96 0.798 -0.827 1.929 1.00 0.00 N ATOM 1284 CA GLY A 96 0.444 0.504 2.375 1.00 0.00 C ATOM 1285 C GLY A 96 -0.888 0.956 1.826 1.00 0.00 C ATOM 1286 O GLY A 96 -1.057 1.076 0.614 1.00 0.00 O ATOM 0 H GLY A 96 1.029 -0.897 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.411 0.523 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.219 1.206 2.067 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.832 1.200 2.722 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.166 1.638 2.338 1.00 0.00 C ATOM 1292 C LEU A 97 -3.570 2.869 3.140 1.00 0.00 C ATOM 1293 O LEU A 97 -3.944 2.765 4.310 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.189 0.506 2.539 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.073 -0.272 3.855 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.446 -0.710 4.336 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.170 -1.483 3.682 1.00 0.00 C ATOM 0 H LEU A 97 -1.697 1.101 3.728 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.151 1.901 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.191 0.932 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.091 -0.198 1.713 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.633 0.387 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.345 -1.261 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.072 0.168 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.907 -1.351 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.100 -2.023 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.586 -2.141 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.176 -1.155 3.377 1.00 0.00 H new ATOM 1309 N SER A 98 -3.477 4.038 2.525 1.00 0.00 N ATOM 1310 CA SER A 98 -3.831 5.278 3.203 1.00 0.00 C ATOM 1311 C SER A 98 -4.710 6.153 2.315 1.00 0.00 C ATOM 1312 O SER A 98 -4.749 5.976 1.100 1.00 0.00 O ATOM 1313 CB SER A 98 -2.567 6.040 3.604 1.00 0.00 C ATOM 1314 OG SER A 98 -1.612 5.167 4.181 1.00 0.00 O ATOM 0 H SER A 98 -3.161 4.155 1.562 1.00 0.00 H new ATOM 0 HA SER A 98 -4.395 5.026 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.138 6.527 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.822 6.827 4.314 1.00 0.00 H new ATOM 0 HG SER A 98 -0.811 5.675 4.428 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.419 7.088 2.929 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.290 7.993 2.189 1.00 0.00 C ATOM 1322 C ASP A 99 -5.500 9.200 1.688 1.00 0.00 C ATOM 1323 O ASP A 99 -4.277 9.237 1.806 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.459 8.441 3.074 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.113 9.616 3.971 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.417 9.415 4.987 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.545 10.745 3.666 1.00 0.00 O ATOM 0 H ASP A 99 -5.409 7.241 3.937 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.693 7.465 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.303 8.712 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.781 7.603 3.692 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.207 10.184 1.141 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.589 11.400 0.616 1.00 0.00 C ATOM 1334 C ALA A 100 -4.787 12.144 1.685 1.00 0.00 C ATOM 1335 O ALA A 100 -3.812 12.830 1.376 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.652 12.313 0.027 1.00 0.00 C ATOM 0 H ALA A 100 -7.223 10.163 1.049 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.891 11.102 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.181 13.216 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.168 11.796 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.370 12.582 0.802 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.203 12.012 2.940 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.518 12.664 4.050 1.00 0.00 C ATOM 1344 C ALA A 101 -3.359 11.810 4.553 1.00 0.00 C ATOM 1345 O ALA A 101 -2.624 12.208 5.455 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.494 12.954 5.179 1.00 0.00 C ATOM 0 H ALA A 101 -6.014 11.457 3.214 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.111 13.609 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.967 13.441 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.285 13.610 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.931 12.020 5.532 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.202 10.636 3.957 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.132 9.739 4.341 1.00 0.00 C ATOM 1354 C GLY A 102 -2.409 9.024 5.647 1.00 0.00 C ATOM 1355 O GLY A 102 -1.480 8.606 6.341 1.00 0.00 O ATOM 0 H GLY A 102 -3.802 10.288 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.981 9.002 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.204 10.304 4.431 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.684 8.877 5.982 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.076 8.209 7.219 1.00 0.00 C ATOM 1361 C ASN A 103 -4.923 6.979 6.925 1.00 0.00 C ATOM 1362 O ASN A 103 -5.142 6.626 5.762 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.845 9.173 8.127 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.929 10.078 8.928 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.855 9.667 9.368 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.347 11.319 9.125 1.00 0.00 N ATOM 0 H ASN A 103 -4.465 9.210 5.416 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.170 7.889 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.512 9.784 7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.472 8.600 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.773 11.972 9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.243 11.622 8.744 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.398 6.331 7.980 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.208 5.141 7.825 1.00 0.00 C ATOM 1375 C GLY A 104 -5.661 3.986 8.643 1.00 0.00 C ATOM 1376 O GLY A 104 -4.831 4.203 9.529 1.00 0.00 O ATOM 0 H GLY A 104 -5.235 6.612 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.232 5.354 8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.244 4.858 6.773 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.108 2.750 8.375 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.638 1.563 9.098 1.00 0.00 C ATOM 1382 C PRO A 105 -4.135 1.345 8.932 1.00 0.00 C ATOM 1383 O PRO A 105 -3.524 1.832 7.979 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.425 0.408 8.465 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.912 0.936 7.159 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.112 2.409 7.357 1.00 0.00 C ATOM 0 HA PRO A 105 -5.797 1.655 10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.793 -0.469 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.256 0.103 9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.189 0.744 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.843 0.452 6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.953 2.965 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.123 2.636 7.696 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.547 0.610 9.864 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.117 0.337 9.833 1.00 0.00 C ATOM 1396 C GLU A 106 -1.750 -0.613 8.698 1.00 0.00 C ATOM 1397 O GLU A 106 -2.566 -1.430 8.264 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.655 -0.255 11.162 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.526 0.769 12.276 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.802 0.218 13.480 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.441 0.310 13.522 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.466 -0.318 14.389 1.00 0.00 O ATOM 0 H GLU A 106 -4.039 0.191 10.653 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.611 1.287 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.360 -1.027 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.691 -0.743 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.993 1.643 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.519 1.105 12.574 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.513 -0.497 8.230 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.032 -1.347 7.165 1.00 0.00 C ATOM 1411 C GLY A 107 0.328 -2.727 7.675 1.00 0.00 C ATOM 1412 O GLY A 107 0.452 -2.932 8.884 1.00 0.00 O ATOM 0 H GLY A 107 0.169 0.178 8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.796 -1.432 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.842 -0.890 6.700 1.00 0.00 H new ATOM 1416 N VAL A 108 0.502 -3.673 6.766 1.00 0.00 N ATOM 1417 CA VAL A 108 0.835 -5.041 7.143 1.00 0.00 C ATOM 1418 C VAL A 108 2.094 -5.504 6.430 1.00 0.00 C ATOM 1419 O VAL A 108 2.203 -5.385 5.208 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.317 -6.015 6.810 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.033 -7.404 7.366 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.639 -5.486 7.341 1.00 0.00 C ATOM 0 H VAL A 108 0.419 -3.520 5.761 1.00 0.00 H new ATOM 0 HA VAL A 108 1.001 -5.045 8.220 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.390 -6.093 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.859 -8.071 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.888 -7.789 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.075 -7.347 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.436 -6.187 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.577 -5.372 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.853 -4.519 6.886 1.00 0.00 H new ATOM 1432 N ALA A 109 3.048 -6.013 7.196 1.00 0.00 N ATOM 1433 CA ALA A 109 4.294 -6.508 6.635 1.00 0.00 C ATOM 1434 C ALA A 109 4.137 -7.952 6.182 1.00 0.00 C ATOM 1435 O ALA A 109 3.548 -8.774 6.890 1.00 0.00 O ATOM 1436 CB ALA A 109 5.418 -6.393 7.653 1.00 0.00 C ATOM 0 H ALA A 109 2.981 -6.094 8.211 1.00 0.00 H new ATOM 0 HA ALA A 109 4.547 -5.898 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.344 -6.768 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.547 -5.348 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.170 -6.980 8.537 1.00 0.00 H new ATOM 1442 N ILE A 110 4.666 -8.262 5.008 1.00 0.00 N ATOM 1443 CA ILE A 110 4.579 -9.607 4.459 1.00 0.00 C ATOM 1444 C ILE A 110 5.952 -10.098 4.009 1.00 0.00 C ATOM 1445 O ILE A 110 6.710 -9.371 3.366 1.00 0.00 O ATOM 1446 CB ILE A 110 3.596 -9.686 3.268 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.905 -8.598 2.237 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.156 -9.575 3.756 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.232 -8.819 0.898 1.00 0.00 C ATOM 0 H ILE A 110 5.162 -7.597 4.415 1.00 0.00 H new ATOM 0 HA ILE A 110 4.203 -10.247 5.257 1.00 0.00 H new ATOM 0 HB ILE A 110 3.720 -10.655 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.593 -7.633 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.984 -8.547 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.478 -9.632 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.942 -10.391 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.017 -8.622 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.497 -8.008 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.563 -9.768 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.151 -8.840 1.033 1.00 0.00 H new ATOM 1461 N SER A 111 6.271 -11.330 4.360 1.00 0.00 N ATOM 1462 CA SER A 111 7.548 -11.920 3.995 1.00 0.00 C ATOM 1463 C SER A 111 7.346 -12.982 2.923 1.00 0.00 C ATOM 1464 O SER A 111 6.337 -13.693 2.925 1.00 0.00 O ATOM 1465 CB SER A 111 8.205 -12.530 5.231 1.00 0.00 C ATOM 1466 OG SER A 111 7.896 -11.766 6.389 1.00 0.00 O ATOM 0 H SER A 111 5.661 -11.945 4.900 1.00 0.00 H new ATOM 0 HA SER A 111 8.200 -11.144 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.862 -13.556 5.363 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.285 -12.571 5.093 1.00 0.00 H new ATOM 0 HG SER A 111 8.323 -12.172 7.172 1.00 0.00 H new ATOM 1472 N PHE A 112 8.296 -13.076 2.006 1.00 0.00 N ATOM 1473 CA PHE A 112 8.221 -14.049 0.932 1.00 0.00 C ATOM 1474 C PHE A 112 8.872 -15.354 1.363 1.00 0.00 C ATOM 1475 O PHE A 112 9.736 -15.364 2.244 1.00 0.00 O ATOM 1476 CB PHE A 112 8.901 -13.505 -0.330 1.00 0.00 C ATOM 1477 CG PHE A 112 8.390 -12.155 -0.754 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.154 -12.027 -1.366 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.144 -11.015 -0.537 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.680 -10.787 -1.751 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.676 -9.775 -0.919 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.443 -9.659 -1.527 1.00 0.00 C ATOM 0 H PHE A 112 9.129 -12.488 1.986 1.00 0.00 H new ATOM 0 HA PHE A 112 7.172 -14.239 0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.975 -13.439 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.754 -14.213 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.553 -12.907 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.111 -11.097 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.714 -10.701 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.275 -8.894 -0.742 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.076 -8.688 -1.827 1.00 0.00 H new ATOM 1492 N ASN A 113 8.448 -16.454 0.761 1.00 0.00 N ATOM 1493 CA ASN A 113 9.004 -17.757 1.095 1.00 0.00 C ATOM 1494 C ASN A 113 10.431 -17.868 0.584 1.00 0.00 C ATOM 1495 O ASN A 113 11.248 -18.527 1.258 1.00 0.00 O ATOM 1496 CB ASN A 113 8.153 -18.904 0.535 1.00 0.00 C ATOM 1497 CG ASN A 113 7.997 -18.861 -0.976 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.882 -19.284 -1.720 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.853 -18.383 -1.435 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.737 -17.272 -0.474 1.00 0.00 O ATOM 0 H ASN A 113 7.725 -16.472 0.042 1.00 0.00 H new ATOM 0 HA ASN A 113 9.001 -17.844 2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.606 -19.854 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.166 -18.872 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.678 -18.355 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.145 -18.042 -0.785 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.401 5.704 4.339 1.00 20.00 O HETATM 1509 C8A FLN A 114 3.688 7.014 3.969 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.055 7.352 2.656 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.134 6.269 1.635 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.825 4.917 2.097 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.480 4.681 3.390 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.119 3.394 4.082 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.939 3.294 4.823 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.618 2.096 5.460 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.437 0.958 5.395 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.611 1.103 4.642 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.956 2.287 3.997 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.454 6.509 0.465 1.00 20.00 O HETATM 1521 C5 FLN A 114 4.330 8.706 2.342 1.00 20.00 C HETATM 1522 C6 FLN A 114 4.235 9.685 3.345 1.00 20.00 C HETATM 1523 C7 FLN A 114 3.863 9.310 4.653 1.00 20.00 C HETATM 1524 C8 FLN A 114 3.590 7.979 4.970 1.00 20.00 C HETATM 0 H8 FLN A 114 3.305 7.698 5.984 1.00 20.00 H new HETATM 0 H7 FLN A 114 3.788 10.072 5.428 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.882 2.346 3.425 1.00 20.00 H new HETATM 0 H6 FLN A 114 4.448 10.729 3.114 1.00 20.00 H new HETATM 0 H5' FLN A 114 4.284 0.250 4.558 1.00 20.00 H new HETATM 0 H5 FLN A 114 4.614 8.987 1.328 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.178 0.025 5.896 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.692 2.041 6.033 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.872 4.086 1.394 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.270 4.151 4.903 1.00 20.00 H new