USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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: A 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0361 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0469 (180deg=-0.281) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 28 THR OG1 : rot -14:sc= 0.369 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.442 (180deg=-1.31!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= -0.952 (180deg=-3.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.501 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 17:sc= -0.386 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.32) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -130:sc= 0.0414 (180deg=-1.69!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -137:sc= -0.51 (180deg=-2.34!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.102 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.012 16.228 8.461 1.00 0.00 N ATOM 2 CA GLY A 1 -14.972 15.556 7.605 1.00 0.00 C ATOM 3 C GLY A 1 -14.679 15.762 6.132 1.00 0.00 C ATOM 4 O GLY A 1 -13.529 15.969 5.744 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.809 15.633 9.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.133 16.396 7.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.405 17.138 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.968 14.489 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.973 15.924 7.828 1.00 0.00 H new ATOM 8 N SER A 2 -15.721 15.703 5.310 1.00 0.00 N ATOM 9 CA SER A 2 -15.570 15.879 3.870 1.00 0.00 C ATOM 10 C SER A 2 -16.914 16.183 3.215 1.00 0.00 C ATOM 11 O SER A 2 -17.965 15.777 3.712 1.00 0.00 O ATOM 12 CB SER A 2 -14.956 14.625 3.243 1.00 0.00 C ATOM 13 OG SER A 2 -14.215 14.947 2.080 1.00 0.00 O ATOM 0 H SER A 2 -16.679 15.535 5.616 1.00 0.00 H new ATOM 0 HA SER A 2 -14.904 16.725 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.307 14.133 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.745 13.917 2.991 1.00 0.00 H new ATOM 0 HG SER A 2 -13.832 14.129 1.699 1.00 0.00 H new ATOM 19 N SER A 3 -16.872 16.900 2.097 1.00 0.00 N ATOM 20 CA SER A 3 -18.085 17.262 1.375 1.00 0.00 C ATOM 21 C SER A 3 -18.138 16.568 0.017 1.00 0.00 C ATOM 22 O SER A 3 -19.212 16.361 -0.546 1.00 0.00 O ATOM 23 CB SER A 3 -18.159 18.779 1.188 1.00 0.00 C ATOM 24 OG SER A 3 -16.867 19.336 1.019 1.00 0.00 O ATOM 0 H SER A 3 -16.010 17.242 1.672 1.00 0.00 H new ATOM 0 HA SER A 3 -18.940 16.933 1.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.775 19.012 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.643 19.232 2.053 1.00 0.00 H new ATOM 0 HG SER A 3 -16.942 20.306 0.900 1.00 0.00 H new ATOM 30 N GLY A 4 -16.967 16.211 -0.503 1.00 0.00 N ATOM 31 CA GLY A 4 -16.901 15.545 -1.791 1.00 0.00 C ATOM 32 C GLY A 4 -16.831 16.522 -2.947 1.00 0.00 C ATOM 33 O GLY A 4 -17.721 17.354 -3.120 1.00 0.00 O ATOM 0 H GLY A 4 -16.064 16.371 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.027 14.895 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.776 14.907 -1.912 1.00 0.00 H new ATOM 37 N SER A 5 -15.768 16.424 -3.740 1.00 0.00 N ATOM 38 CA SER A 5 -15.582 17.310 -4.882 1.00 0.00 C ATOM 39 C SER A 5 -15.058 16.538 -6.089 1.00 0.00 C ATOM 40 O SER A 5 -14.179 15.686 -5.961 1.00 0.00 O ATOM 41 CB SER A 5 -14.614 18.440 -4.526 1.00 0.00 C ATOM 42 OG SER A 5 -15.179 19.310 -3.560 1.00 0.00 O ATOM 0 H SER A 5 -15.023 15.739 -3.612 1.00 0.00 H new ATOM 0 HA SER A 5 -16.551 17.739 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.685 18.019 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.362 19.004 -5.424 1.00 0.00 H new ATOM 0 HG SER A 5 -14.540 20.023 -3.348 1.00 0.00 H new ATOM 48 N SER A 6 -15.605 16.843 -7.262 1.00 0.00 N ATOM 49 CA SER A 6 -15.197 16.175 -8.492 1.00 0.00 C ATOM 50 C SER A 6 -13.703 15.863 -8.471 1.00 0.00 C ATOM 51 O SER A 6 -12.907 16.620 -7.917 1.00 0.00 O ATOM 52 CB SER A 6 -15.529 17.047 -9.705 1.00 0.00 C ATOM 53 OG SER A 6 -15.454 16.299 -10.906 1.00 0.00 O ATOM 0 H SER A 6 -16.331 17.548 -7.386 1.00 0.00 H new ATOM 0 HA SER A 6 -15.746 15.236 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.530 17.464 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.837 17.888 -9.753 1.00 0.00 H new ATOM 0 HG SER A 6 -15.672 16.878 -11.666 1.00 0.00 H new ATOM 59 N GLY A 7 -13.331 14.740 -9.079 1.00 0.00 N ATOM 60 CA GLY A 7 -11.935 14.346 -9.119 1.00 0.00 C ATOM 61 C GLY A 7 -11.472 13.992 -10.518 1.00 0.00 C ATOM 62 O GLY A 7 -12.170 14.256 -11.497 1.00 0.00 O ATOM 0 H GLY A 7 -13.971 14.097 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.320 15.158 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.783 13.490 -8.462 1.00 0.00 H new ATOM 66 N LYS A 8 -10.290 13.392 -10.614 1.00 0.00 N ATOM 67 CA LYS A 8 -9.733 13.001 -11.904 1.00 0.00 C ATOM 68 C LYS A 8 -10.213 11.610 -12.304 1.00 0.00 C ATOM 69 O LYS A 8 -10.052 11.194 -13.451 1.00 0.00 O ATOM 70 CB LYS A 8 -8.204 13.030 -11.852 1.00 0.00 C ATOM 71 CG LYS A 8 -7.607 14.370 -12.247 1.00 0.00 C ATOM 72 CD LYS A 8 -7.440 15.283 -11.044 1.00 0.00 C ATOM 73 CE LYS A 8 -8.676 16.142 -10.820 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.834 17.173 -11.883 1.00 0.00 N ATOM 0 H LYS A 8 -9.699 13.166 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.078 13.714 -12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.878 12.780 -10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.812 12.258 -12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.639 14.212 -12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.249 14.852 -12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.247 14.683 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.571 15.925 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.561 15.506 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.608 16.630 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.442 17.941 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.901 17.557 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.270 16.742 -12.723 1.00 0.00 H new ATOM 88 N GLU A 9 -10.803 10.895 -11.351 1.00 0.00 N ATOM 89 CA GLU A 9 -11.306 9.550 -11.606 1.00 0.00 C ATOM 90 C GLU A 9 -10.405 8.810 -12.589 1.00 0.00 C ATOM 91 O GLU A 9 -10.883 8.179 -13.531 1.00 0.00 O ATOM 92 CB GLU A 9 -12.734 9.611 -12.152 1.00 0.00 C ATOM 93 CG GLU A 9 -13.748 10.133 -11.148 1.00 0.00 C ATOM 94 CD GLU A 9 -13.859 9.251 -9.920 1.00 0.00 C ATOM 95 OE1 GLU A 9 -14.321 8.099 -10.055 1.00 0.00 O ATOM 96 OE2 GLU A 9 -13.483 9.714 -8.822 1.00 0.00 O ATOM 0 H GLU A 9 -10.944 11.224 -10.396 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.309 9.005 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.749 10.249 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.034 8.614 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.466 11.141 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.724 10.206 -11.628 1.00 0.00 H new ATOM 103 N GLU A 10 -9.097 8.893 -12.363 1.00 0.00 N ATOM 104 CA GLU A 10 -8.129 8.232 -13.230 1.00 0.00 C ATOM 105 C GLU A 10 -7.477 7.051 -12.516 1.00 0.00 C ATOM 106 O GLU A 10 -6.256 6.889 -12.547 1.00 0.00 O ATOM 107 CB GLU A 10 -7.056 9.224 -13.683 1.00 0.00 C ATOM 108 CG GLU A 10 -6.401 8.852 -15.003 1.00 0.00 C ATOM 109 CD GLU A 10 -5.570 7.587 -14.905 1.00 0.00 C ATOM 110 OE1 GLU A 10 -4.414 7.670 -14.441 1.00 0.00 O ATOM 111 OE2 GLU A 10 -6.078 6.514 -15.293 1.00 0.00 O ATOM 0 H GLU A 10 -8.684 9.411 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.660 7.857 -14.105 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.504 10.213 -13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.288 9.292 -12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.172 8.718 -15.762 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.767 9.674 -15.334 1.00 0.00 H new ATOM 118 N THR A 11 -8.299 6.229 -11.872 1.00 0.00 N ATOM 119 CA THR A 11 -7.804 5.065 -11.149 1.00 0.00 C ATOM 120 C THR A 11 -6.485 5.372 -10.449 1.00 0.00 C ATOM 121 O THR A 11 -5.557 4.565 -10.473 1.00 0.00 O ATOM 122 CB THR A 11 -7.604 3.862 -12.090 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.643 3.832 -13.075 1.00 0.00 O ATOM 124 CG2 THR A 11 -7.602 2.557 -11.308 1.00 0.00 C ATOM 0 H THR A 11 -9.311 6.348 -11.837 1.00 0.00 H new ATOM 0 HA THR A 11 -8.558 4.813 -10.403 1.00 0.00 H new ATOM 0 HB THR A 11 -6.639 3.972 -12.584 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.507 3.065 -13.670 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.459 1.722 -11.994 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.791 2.571 -10.579 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.554 2.442 -10.790 1.00 0.00 H new ATOM 132 N GLU A 12 -6.410 6.544 -9.826 1.00 0.00 N ATOM 133 CA GLU A 12 -5.204 6.957 -9.119 1.00 0.00 C ATOM 134 C GLU A 12 -5.177 6.380 -7.706 1.00 0.00 C ATOM 135 O GLU A 12 -4.698 7.023 -6.771 1.00 0.00 O ATOM 136 CB GLU A 12 -5.117 8.483 -9.060 1.00 0.00 C ATOM 137 CG GLU A 12 -4.614 9.114 -10.348 1.00 0.00 C ATOM 138 CD GLU A 12 -3.323 8.489 -10.838 1.00 0.00 C ATOM 139 OE1 GLU A 12 -2.242 8.967 -10.433 1.00 0.00 O ATOM 140 OE2 GLU A 12 -3.392 7.523 -11.627 1.00 0.00 O ATOM 0 H GLU A 12 -7.170 7.224 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.344 6.573 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.103 8.886 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.456 8.770 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.377 9.014 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.459 10.181 -10.189 1.00 0.00 H new ATOM 147 N ILE A 13 -5.694 5.165 -7.559 1.00 0.00 N ATOM 148 CA ILE A 13 -5.729 4.502 -6.262 1.00 0.00 C ATOM 149 C ILE A 13 -5.236 3.062 -6.367 1.00 0.00 C ATOM 150 O ILE A 13 -5.687 2.303 -7.225 1.00 0.00 O ATOM 151 CB ILE A 13 -7.149 4.505 -5.666 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.825 5.855 -5.911 1.00 0.00 C ATOM 153 CG2 ILE A 13 -7.099 4.193 -4.178 1.00 0.00 C ATOM 154 CD1 ILE A 13 -7.388 6.934 -4.945 1.00 0.00 C ATOM 0 H ILE A 13 -6.094 4.620 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.066 5.063 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.737 3.731 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.609 6.181 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.905 5.730 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.110 4.199 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.653 3.210 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.498 4.946 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.908 7.863 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.628 6.630 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.313 7.088 -5.033 1.00 0.00 H new ATOM 166 N ILE A 14 -4.311 2.694 -5.488 1.00 0.00 N ATOM 167 CA ILE A 14 -3.759 1.345 -5.480 1.00 0.00 C ATOM 168 C ILE A 14 -3.602 0.824 -4.055 1.00 0.00 C ATOM 169 O ILE A 14 -2.798 1.341 -3.280 1.00 0.00 O ATOM 170 CB ILE A 14 -2.393 1.291 -6.188 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.323 2.350 -7.290 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.149 -0.097 -6.763 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.934 2.539 -7.859 1.00 0.00 C ATOM 0 H ILE A 14 -3.928 3.311 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.464 0.713 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.613 1.503 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.002 2.070 -8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.676 3.301 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.179 -0.119 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.161 -0.832 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.932 -0.335 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.960 3.304 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.255 2.850 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.585 1.599 -8.288 1.00 0.00 H new ATOM 185 N GLU A 15 -4.374 -0.205 -3.718 1.00 0.00 N ATOM 186 CA GLU A 15 -4.319 -0.796 -2.387 1.00 0.00 C ATOM 187 C GLU A 15 -3.800 -2.230 -2.449 1.00 0.00 C ATOM 188 O GLU A 15 -3.729 -2.830 -3.521 1.00 0.00 O ATOM 189 CB GLU A 15 -5.704 -0.772 -1.736 1.00 0.00 C ATOM 190 CG GLU A 15 -6.665 -1.798 -2.311 1.00 0.00 C ATOM 191 CD GLU A 15 -7.471 -1.255 -3.475 1.00 0.00 C ATOM 192 OE1 GLU A 15 -6.927 -1.201 -4.598 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.644 -0.883 -3.264 1.00 0.00 O ATOM 0 H GLU A 15 -5.044 -0.646 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.631 -0.204 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.596 -0.948 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.134 0.222 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.103 -2.672 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.345 -2.132 -1.528 1.00 0.00 H new ATOM 200 N GLY A 16 -3.438 -2.773 -1.291 1.00 0.00 N ATOM 201 CA GLY A 16 -2.930 -4.132 -1.236 1.00 0.00 C ATOM 202 C GLY A 16 -2.681 -4.600 0.184 1.00 0.00 C ATOM 203 O GLY A 16 -2.697 -3.801 1.120 1.00 0.00 O ATOM 0 H GLY A 16 -3.487 -2.297 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.642 -4.803 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.001 -4.193 -1.804 1.00 0.00 H new ATOM 207 N GLU A 17 -2.451 -5.900 0.345 1.00 0.00 N ATOM 208 CA GLU A 17 -2.201 -6.473 1.663 1.00 0.00 C ATOM 209 C GLU A 17 -0.740 -6.294 2.065 1.00 0.00 C ATOM 210 O GLU A 17 0.143 -6.991 1.566 1.00 0.00 O ATOM 211 CB GLU A 17 -2.566 -7.958 1.675 1.00 0.00 C ATOM 212 CG GLU A 17 -2.329 -8.633 3.016 1.00 0.00 C ATOM 213 CD GLU A 17 -2.939 -10.019 3.087 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.872 -10.299 2.307 1.00 0.00 O ATOM 215 OE2 GLU A 17 -2.482 -10.825 3.925 1.00 0.00 O ATOM 0 H GLU A 17 -2.433 -6.575 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.826 -5.947 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.616 -8.068 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.984 -8.473 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.257 -8.702 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.749 -8.014 3.809 1.00 0.00 H new ATOM 222 N VAL A 18 -0.493 -5.352 2.971 1.00 0.00 N ATOM 223 CA VAL A 18 0.860 -5.081 3.441 1.00 0.00 C ATOM 224 C VAL A 18 1.564 -6.366 3.862 1.00 0.00 C ATOM 225 O VAL A 18 1.026 -7.157 4.637 1.00 0.00 O ATOM 226 CB VAL A 18 0.855 -4.099 4.629 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.252 -3.548 4.872 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.136 -2.972 4.383 1.00 0.00 C ATOM 0 H VAL A 18 -1.212 -4.765 3.393 1.00 0.00 H new ATOM 0 HA VAL A 18 1.400 -4.631 2.608 1.00 0.00 H new ATOM 0 HB VAL A 18 0.543 -4.638 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.229 -2.857 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.933 -4.369 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.596 -3.023 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.127 -2.288 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.144 -2.432 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.137 -3.387 4.263 1.00 0.00 H new ATOM 238 N VAL A 19 2.772 -6.569 3.345 1.00 0.00 N ATOM 239 CA VAL A 19 3.552 -7.758 3.668 1.00 0.00 C ATOM 240 C VAL A 19 4.812 -7.394 4.445 1.00 0.00 C ATOM 241 O VAL A 19 5.118 -8.003 5.470 1.00 0.00 O ATOM 242 CB VAL A 19 3.951 -8.529 2.396 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.858 -9.700 2.744 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.713 -9.006 1.652 1.00 0.00 C ATOM 0 H VAL A 19 3.232 -5.925 2.701 1.00 0.00 H new ATOM 0 HA VAL A 19 2.919 -8.394 4.286 1.00 0.00 H new ATOM 0 HB VAL A 19 4.503 -7.855 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.130 -10.233 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.760 -9.329 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.335 -10.378 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.014 -9.549 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.132 -9.665 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.105 -8.147 1.369 1.00 0.00 H new ATOM 254 N GLU A 20 5.539 -6.397 3.951 1.00 0.00 N ATOM 255 CA GLU A 20 6.767 -5.953 4.600 1.00 0.00 C ATOM 256 C GLU A 20 6.920 -4.438 4.496 1.00 0.00 C ATOM 257 O GLU A 20 6.651 -3.847 3.449 1.00 0.00 O ATOM 258 CB GLU A 20 7.980 -6.643 3.973 1.00 0.00 C ATOM 259 CG GLU A 20 9.304 -6.231 4.595 1.00 0.00 C ATOM 260 CD GLU A 20 10.462 -7.090 4.125 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.732 -8.125 4.770 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.098 -6.727 3.113 1.00 0.00 O ATOM 0 H GLU A 20 5.299 -5.882 3.104 1.00 0.00 H new ATOM 0 HA GLU A 20 6.709 -6.224 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.863 -7.722 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.004 -6.419 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.507 -5.188 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.227 -6.294 5.680 1.00 0.00 H new ATOM 269 N ILE A 21 7.352 -3.816 5.588 1.00 0.00 N ATOM 270 CA ILE A 21 7.541 -2.372 5.620 1.00 0.00 C ATOM 271 C ILE A 21 8.912 -2.009 6.182 1.00 0.00 C ATOM 272 O ILE A 21 9.170 -2.181 7.373 1.00 0.00 O ATOM 273 CB ILE A 21 6.454 -1.680 6.463 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.075 -1.902 5.838 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.749 -0.193 6.591 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.937 -1.362 6.676 1.00 0.00 C ATOM 0 H ILE A 21 7.578 -4.290 6.462 1.00 0.00 H new ATOM 0 HA ILE A 21 7.468 -2.022 4.590 1.00 0.00 H new ATOM 0 HB ILE A 21 6.456 -2.118 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.049 -1.428 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.924 -2.970 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.972 0.282 7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.716 -0.054 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.771 0.260 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.990 -1.555 6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.936 -1.854 7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.063 -0.288 6.812 1.00 0.00 H new ATOM 288 N GLN A 22 9.786 -1.505 5.316 1.00 0.00 N ATOM 289 CA GLN A 22 11.130 -1.116 5.727 1.00 0.00 C ATOM 290 C GLN A 22 11.247 0.400 5.842 1.00 0.00 C ATOM 291 O GLN A 22 10.605 1.140 5.096 1.00 0.00 O ATOM 292 CB GLN A 22 12.163 -1.646 4.731 1.00 0.00 C ATOM 293 CG GLN A 22 12.534 -3.103 4.956 1.00 0.00 C ATOM 294 CD GLN A 22 13.939 -3.426 4.486 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.157 -3.744 3.317 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.901 -3.347 5.398 1.00 0.00 N ATOM 0 H GLN A 22 9.588 -1.357 4.327 1.00 0.00 H new ATOM 0 HA GLN A 22 11.324 -1.551 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.773 -1.531 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.064 -1.036 4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.447 -3.337 6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.823 -3.740 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.675 -3.079 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.866 -3.554 5.141 1.00 0.00 H new ATOM 305 N ILE A 23 12.070 0.855 6.781 1.00 0.00 N ATOM 306 CA ILE A 23 12.271 2.283 6.993 1.00 0.00 C ATOM 307 C ILE A 23 13.740 2.598 7.255 1.00 0.00 C ATOM 308 O ILE A 23 14.316 2.144 8.243 1.00 0.00 O ATOM 309 CB ILE A 23 11.428 2.802 8.172 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.955 2.440 7.973 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.594 4.307 8.321 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.190 3.452 7.149 1.00 0.00 C ATOM 0 H ILE A 23 12.608 0.256 7.407 1.00 0.00 H new ATOM 0 HA ILE A 23 11.951 2.785 6.080 1.00 0.00 H new ATOM 0 HB ILE A 23 11.779 2.325 9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.891 1.466 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.478 2.343 8.948 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.992 4.658 9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.643 4.541 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.267 4.801 7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.153 3.131 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.223 4.423 7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.642 3.533 6.160 1.00 0.00 H new ATOM 324 N ASP A 24 14.340 3.380 6.364 1.00 0.00 N ATOM 325 CA ASP A 24 15.741 3.759 6.500 1.00 0.00 C ATOM 326 C ASP A 24 15.874 5.100 7.215 1.00 0.00 C ATOM 327 O ASP A 24 15.230 6.080 6.842 1.00 0.00 O ATOM 328 CB ASP A 24 16.408 3.832 5.125 1.00 0.00 C ATOM 329 CG ASP A 24 17.892 3.530 5.185 1.00 0.00 C ATOM 330 OD1 ASP A 24 18.669 4.441 5.537 1.00 0.00 O ATOM 331 OD2 ASP A 24 18.277 2.382 4.878 1.00 0.00 O ATOM 0 H ASP A 24 13.878 3.764 5.540 1.00 0.00 H new ATOM 0 HA ASP A 24 16.241 2.997 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.923 3.125 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.259 4.827 4.705 1.00 0.00 H new ATOM 336 N ARG A 25 16.714 5.135 8.244 1.00 0.00 N ATOM 337 CA ARG A 25 16.930 6.355 9.013 1.00 0.00 C ATOM 338 C ARG A 25 18.029 7.206 8.385 1.00 0.00 C ATOM 339 O ARG A 25 19.017 6.696 7.855 1.00 0.00 O ATOM 340 CB ARG A 25 17.297 6.014 10.458 1.00 0.00 C ATOM 341 CG ARG A 25 16.248 5.177 11.172 1.00 0.00 C ATOM 342 CD ARG A 25 16.312 5.370 12.679 1.00 0.00 C ATOM 343 NE ARG A 25 17.398 4.603 13.284 1.00 0.00 N ATOM 344 CZ ARG A 25 17.491 4.363 14.587 1.00 0.00 C ATOM 345 NH1 ARG A 25 16.569 4.828 15.418 1.00 0.00 N ATOM 346 NH2 ARG A 25 18.509 3.656 15.061 1.00 0.00 N ATOM 0 H ARG A 25 17.256 4.333 8.565 1.00 0.00 H new ATOM 0 HA ARG A 25 16.003 6.928 9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 25 18.245 5.477 10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.450 6.939 11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.256 5.449 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 25 16.396 4.124 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.447 6.428 12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.364 5.068 13.124 1.00 0.00 H new ATOM 0 HE ARG A 25 18.125 4.231 12.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.785 5.372 15.057 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.643 4.642 16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.221 3.297 14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.580 3.472 16.062 1.00 0.00 H new ATOM 360 N PRO A 26 17.856 8.535 8.444 1.00 0.00 N ATOM 361 CA PRO A 26 18.823 9.485 7.886 1.00 0.00 C ATOM 362 C PRO A 26 20.125 9.521 8.680 1.00 0.00 C ATOM 363 O PRO A 26 20.232 8.910 9.743 1.00 0.00 O ATOM 364 CB PRO A 26 18.098 10.829 7.987 1.00 0.00 C ATOM 365 CG PRO A 26 17.129 10.654 9.104 1.00 0.00 C ATOM 366 CD PRO A 26 16.703 9.212 9.061 1.00 0.00 C ATOM 0 HA PRO A 26 19.117 9.219 6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.796 11.641 8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.588 11.075 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.590 10.896 10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.273 11.318 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.496 8.824 10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.796 9.078 8.472 1.00 0.00 H new ATOM 374 N ALA A 27 21.112 10.240 8.156 1.00 0.00 N ATOM 375 CA ALA A 27 22.406 10.357 8.818 1.00 0.00 C ATOM 376 C ALA A 27 22.502 11.658 9.609 1.00 0.00 C ATOM 377 O ALA A 27 21.560 12.450 9.639 1.00 0.00 O ATOM 378 CB ALA A 27 23.530 10.274 7.796 1.00 0.00 C ATOM 0 H ALA A 27 21.041 10.750 7.276 1.00 0.00 H new ATOM 0 HA ALA A 27 22.505 9.528 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 27 24.491 10.363 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.481 9.316 7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 27 23.425 11.083 7.073 1.00 0.00 H new ATOM 384 N THR A 28 23.647 11.872 10.249 1.00 0.00 N ATOM 385 CA THR A 28 23.866 13.075 11.042 1.00 0.00 C ATOM 386 C THR A 28 24.020 14.301 10.149 1.00 0.00 C ATOM 387 O THR A 28 23.932 15.436 10.616 1.00 0.00 O ATOM 388 CB THR A 28 25.116 12.942 11.932 1.00 0.00 C ATOM 389 OG1 THR A 28 25.341 14.162 12.647 1.00 0.00 O ATOM 390 CG2 THR A 28 26.342 12.604 11.096 1.00 0.00 C ATOM 0 H THR A 28 24.437 11.227 10.234 1.00 0.00 H new ATOM 0 HA THR A 28 22.989 13.199 11.677 1.00 0.00 H new ATOM 0 HB THR A 28 24.945 12.132 12.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.803 14.878 12.249 1.00 0.00 H new ATOM 0 HG21 THR A 28 27.212 12.515 11.746 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.179 11.660 10.577 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.514 13.395 10.366 1.00 0.00 H new ATOM 398 N GLY A 29 24.251 14.065 8.861 1.00 0.00 N ATOM 399 CA GLY A 29 24.413 15.161 7.923 1.00 0.00 C ATOM 400 C GLY A 29 23.094 15.617 7.331 1.00 0.00 C ATOM 401 O GLY A 29 22.438 16.509 7.870 1.00 0.00 O ATOM 0 H GLY A 29 24.329 13.135 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.890 16.000 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.081 14.852 7.119 1.00 0.00 H new ATOM 405 N THR A 30 22.704 15.005 6.217 1.00 0.00 N ATOM 406 CA THR A 30 21.456 15.355 5.550 1.00 0.00 C ATOM 407 C THR A 30 20.939 14.194 4.707 1.00 0.00 C ATOM 408 O THR A 30 21.715 13.481 4.074 1.00 0.00 O ATOM 409 CB THR A 30 21.630 16.592 4.648 1.00 0.00 C ATOM 410 OG1 THR A 30 22.202 17.669 5.399 1.00 0.00 O ATOM 411 CG2 THR A 30 20.294 17.027 4.064 1.00 0.00 C ATOM 0 H THR A 30 23.234 14.265 5.758 1.00 0.00 H new ATOM 0 HA THR A 30 20.732 15.583 6.332 1.00 0.00 H new ATOM 0 HB THR A 30 22.298 16.327 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 30 22.311 18.451 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.441 17.902 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 30 19.875 16.215 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.607 17.276 4.873 1.00 0.00 H new ATOM 419 N GLY A 31 19.622 14.012 4.704 1.00 0.00 N ATOM 420 CA GLY A 31 19.024 12.936 3.935 1.00 0.00 C ATOM 421 C GLY A 31 17.562 12.725 4.274 1.00 0.00 C ATOM 422 O GLY A 31 17.198 12.622 5.446 1.00 0.00 O ATOM 0 H GLY A 31 18.959 14.590 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 31 19.119 13.157 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.574 12.013 4.119 1.00 0.00 H new ATOM 426 N SER A 32 16.721 12.660 3.247 1.00 0.00 N ATOM 427 CA SER A 32 15.289 12.465 3.443 1.00 0.00 C ATOM 428 C SER A 32 14.992 11.035 3.885 1.00 0.00 C ATOM 429 O SER A 32 15.794 10.126 3.671 1.00 0.00 O ATOM 430 CB SER A 32 14.529 12.781 2.153 1.00 0.00 C ATOM 431 OG SER A 32 14.185 14.154 2.087 1.00 0.00 O ATOM 0 H SER A 32 17.006 12.739 2.271 1.00 0.00 H new ATOM 0 HA SER A 32 14.958 13.146 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.142 12.515 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.625 12.174 2.101 1.00 0.00 H new ATOM 0 HG SER A 32 13.702 14.330 1.253 1.00 0.00 H new ATOM 437 N LYS A 33 13.831 10.844 4.503 1.00 0.00 N ATOM 438 CA LYS A 33 13.424 9.526 4.976 1.00 0.00 C ATOM 439 C LYS A 33 12.908 8.670 3.823 1.00 0.00 C ATOM 440 O LYS A 33 12.053 9.103 3.050 1.00 0.00 O ATOM 441 CB LYS A 33 12.343 9.658 6.050 1.00 0.00 C ATOM 442 CG LYS A 33 12.853 10.236 7.359 1.00 0.00 C ATOM 443 CD LYS A 33 11.828 10.091 8.471 1.00 0.00 C ATOM 444 CE LYS A 33 12.152 10.996 9.649 1.00 0.00 C ATOM 445 NZ LYS A 33 11.640 10.439 10.933 1.00 0.00 N ATOM 0 H LYS A 33 13.155 11.585 4.688 1.00 0.00 H new ATOM 0 HA LYS A 33 14.297 9.037 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.541 10.292 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.910 8.676 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.776 9.731 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.096 11.290 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.837 10.332 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.797 9.054 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.231 11.132 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.717 11.981 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.881 11.085 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.607 10.333 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.075 9.510 11.106 1.00 0.00 H new ATOM 459 N VAL A 34 13.431 7.453 3.715 1.00 0.00 N ATOM 460 CA VAL A 34 13.021 6.536 2.658 1.00 0.00 C ATOM 461 C VAL A 34 12.535 5.212 3.238 1.00 0.00 C ATOM 462 O VAL A 34 13.128 4.677 4.173 1.00 0.00 O ATOM 463 CB VAL A 34 14.175 6.260 1.675 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.629 7.551 1.010 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.334 5.583 2.391 1.00 0.00 C ATOM 0 H VAL A 34 14.139 7.079 4.346 1.00 0.00 H new ATOM 0 HA VAL A 34 12.203 7.017 2.121 1.00 0.00 H new ATOM 0 HB VAL A 34 13.815 5.586 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.445 7.337 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.795 7.991 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.973 8.251 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.140 5.395 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.696 6.230 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.997 4.637 2.816 1.00 0.00 H new ATOM 475 N GLY A 35 11.451 4.688 2.674 1.00 0.00 N ATOM 476 CA GLY A 35 10.903 3.430 3.148 1.00 0.00 C ATOM 477 C GLY A 35 10.404 2.553 2.017 1.00 0.00 C ATOM 478 O GLY A 35 9.902 3.052 1.009 1.00 0.00 O ATOM 0 H GLY A 35 10.943 5.112 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.667 2.893 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.083 3.631 3.837 1.00 0.00 H new ATOM 482 N LYS A 36 10.542 1.242 2.182 1.00 0.00 N ATOM 483 CA LYS A 36 10.102 0.292 1.167 1.00 0.00 C ATOM 484 C LYS A 36 8.901 -0.510 1.657 1.00 0.00 C ATOM 485 O LYS A 36 8.975 -1.200 2.675 1.00 0.00 O ATOM 486 CB LYS A 36 11.245 -0.656 0.797 1.00 0.00 C ATOM 487 CG LYS A 36 10.911 -1.591 -0.353 1.00 0.00 C ATOM 488 CD LYS A 36 10.265 -2.874 0.142 1.00 0.00 C ATOM 489 CE LYS A 36 11.307 -3.880 0.606 1.00 0.00 C ATOM 490 NZ LYS A 36 12.432 -4.000 -0.362 1.00 0.00 N ATOM 0 H LYS A 36 10.955 0.813 3.010 1.00 0.00 H new ATOM 0 HA LYS A 36 9.804 0.855 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.123 -0.067 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.511 -1.250 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.238 -1.089 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.820 -1.830 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.586 -2.647 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.665 -3.312 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.696 -3.578 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.837 -4.854 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.867 -4.941 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.072 -3.874 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.144 -3.269 -0.159 1.00 0.00 H new ATOM 504 N LEU A 37 7.795 -0.417 0.927 1.00 0.00 N ATOM 505 CA LEU A 37 6.578 -1.136 1.287 1.00 0.00 C ATOM 506 C LEU A 37 6.224 -2.173 0.225 1.00 0.00 C ATOM 507 O LEU A 37 6.189 -1.870 -0.968 1.00 0.00 O ATOM 508 CB LEU A 37 5.417 -0.156 1.466 1.00 0.00 C ATOM 509 CG LEU A 37 4.016 -0.767 1.460 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.597 -1.156 2.869 1.00 0.00 C ATOM 511 CD2 LEU A 37 3.013 0.204 0.853 1.00 0.00 C ATOM 0 H LEU A 37 7.716 0.149 0.082 1.00 0.00 H new ATOM 0 HA LEU A 37 6.757 -1.654 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.557 0.373 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.470 0.588 0.672 1.00 0.00 H new ATOM 0 HG LEU A 37 4.037 -1.668 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.597 -1.589 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.300 -1.887 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.594 -0.271 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.021 -0.248 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.996 1.123 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.303 0.433 -0.172 1.00 0.00 H new ATOM 523 N THR A 38 5.959 -3.398 0.667 1.00 0.00 N ATOM 524 CA THR A 38 5.606 -4.480 -0.244 1.00 0.00 C ATOM 525 C THR A 38 4.216 -5.025 0.062 1.00 0.00 C ATOM 526 O THR A 38 3.941 -5.463 1.180 1.00 0.00 O ATOM 527 CB THR A 38 6.625 -5.633 -0.168 1.00 0.00 C ATOM 528 OG1 THR A 38 7.939 -5.145 -0.462 1.00 0.00 O ATOM 529 CG2 THR A 38 6.260 -6.742 -1.143 1.00 0.00 C ATOM 0 H THR A 38 5.982 -3.666 1.651 1.00 0.00 H new ATOM 0 HA THR A 38 5.616 -4.062 -1.250 1.00 0.00 H new ATOM 0 HB THR A 38 6.607 -6.040 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.581 -5.883 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.993 -7.545 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.271 -7.131 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.253 -6.346 -2.159 1.00 0.00 H new ATOM 537 N LEU A 39 3.341 -4.996 -0.938 1.00 0.00 N ATOM 538 CA LEU A 39 1.978 -5.488 -0.776 1.00 0.00 C ATOM 539 C LEU A 39 1.743 -6.731 -1.628 1.00 0.00 C ATOM 540 O LEU A 39 2.312 -6.872 -2.711 1.00 0.00 O ATOM 541 CB LEU A 39 0.973 -4.399 -1.155 1.00 0.00 C ATOM 542 CG LEU A 39 0.496 -3.499 -0.014 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.681 -2.953 0.767 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.360 -2.362 -0.554 1.00 0.00 C ATOM 0 H LEU A 39 3.552 -4.637 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 39 1.837 -5.756 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.422 -3.770 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.102 -4.877 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.114 -4.096 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.322 -2.315 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.253 -3.781 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.319 -2.371 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.691 -1.732 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.226 -1.766 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.229 -2.773 -1.067 1.00 0.00 H new ATOM 556 N LYS A 40 0.899 -7.630 -1.133 1.00 0.00 N ATOM 557 CA LYS A 40 0.585 -8.861 -1.849 1.00 0.00 C ATOM 558 C LYS A 40 -0.744 -8.736 -2.588 1.00 0.00 C ATOM 559 O LYS A 40 -1.813 -8.875 -1.993 1.00 0.00 O ATOM 560 CB LYS A 40 0.531 -10.042 -0.877 1.00 0.00 C ATOM 561 CG LYS A 40 0.432 -11.392 -1.565 1.00 0.00 C ATOM 562 CD LYS A 40 0.338 -12.526 -0.558 1.00 0.00 C ATOM 563 CE LYS A 40 -0.862 -12.357 0.362 1.00 0.00 C ATOM 564 NZ LYS A 40 -0.524 -11.560 1.573 1.00 0.00 N ATOM 0 H LYS A 40 0.420 -7.529 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 40 1.373 -9.037 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.423 -10.027 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.326 -9.918 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.444 -11.407 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.304 -11.541 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.262 -13.477 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.251 -12.563 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.670 -11.867 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.229 -13.338 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.923 -12.022 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.510 -11.497 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.922 -10.604 1.481 1.00 0.00 H new ATOM 578 N THR A 41 -0.670 -8.475 -3.890 1.00 0.00 N ATOM 579 CA THR A 41 -1.866 -8.332 -4.710 1.00 0.00 C ATOM 580 C THR A 41 -2.263 -9.662 -5.340 1.00 0.00 C ATOM 581 O THR A 41 -1.507 -10.634 -5.293 1.00 0.00 O ATOM 582 CB THR A 41 -1.661 -7.290 -5.825 1.00 0.00 C ATOM 583 OG1 THR A 41 -0.354 -7.431 -6.394 1.00 0.00 O ATOM 584 CG2 THR A 41 -1.835 -5.878 -5.285 1.00 0.00 C ATOM 0 H THR A 41 0.206 -8.358 -4.399 1.00 0.00 H new ATOM 0 HA THR A 41 -2.664 -7.994 -4.049 1.00 0.00 H new ATOM 0 HB THR A 41 -2.412 -7.463 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.232 -6.766 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.685 -5.159 -6.091 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.840 -5.765 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.104 -5.697 -4.497 1.00 0.00 H new ATOM 592 N THR A 42 -3.453 -9.700 -5.931 1.00 0.00 N ATOM 593 CA THR A 42 -3.950 -10.912 -6.570 1.00 0.00 C ATOM 594 C THR A 42 -2.811 -11.717 -7.185 1.00 0.00 C ATOM 595 O THR A 42 -2.224 -11.311 -8.188 1.00 0.00 O ATOM 596 CB THR A 42 -4.983 -10.586 -7.666 1.00 0.00 C ATOM 597 OG1 THR A 42 -5.230 -11.746 -8.467 1.00 0.00 O ATOM 598 CG2 THR A 42 -4.494 -9.448 -8.549 1.00 0.00 C ATOM 0 H THR A 42 -4.090 -8.905 -5.980 1.00 0.00 H new ATOM 0 HA THR A 42 -4.431 -11.505 -5.792 1.00 0.00 H new ATOM 0 HB THR A 42 -5.909 -10.276 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.889 -11.531 -9.160 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.240 -9.236 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.335 -8.558 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.556 -9.734 -9.025 1.00 0.00 H new ATOM 606 N GLU A 43 -2.504 -12.859 -6.578 1.00 0.00 N ATOM 607 CA GLU A 43 -1.434 -13.720 -7.067 1.00 0.00 C ATOM 608 C GLU A 43 -0.282 -12.891 -7.627 1.00 0.00 C ATOM 609 O GLU A 43 0.210 -13.154 -8.724 1.00 0.00 O ATOM 610 CB GLU A 43 -1.965 -14.668 -8.144 1.00 0.00 C ATOM 611 CG GLU A 43 -2.532 -15.964 -7.589 1.00 0.00 C ATOM 612 CD GLU A 43 -1.452 -16.944 -7.177 1.00 0.00 C ATOM 613 OE1 GLU A 43 -0.925 -17.654 -8.059 1.00 0.00 O ATOM 614 OE2 GLU A 43 -1.133 -17.002 -5.971 1.00 0.00 O ATOM 0 H GLU A 43 -2.981 -13.209 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.062 -14.307 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.740 -14.157 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.159 -14.902 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.163 -15.741 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.171 -16.428 -8.341 1.00 0.00 H new ATOM 621 N MET A 44 0.142 -11.888 -6.865 1.00 0.00 N ATOM 622 CA MET A 44 1.237 -11.020 -7.285 1.00 0.00 C ATOM 623 C MET A 44 1.733 -10.169 -6.120 1.00 0.00 C ATOM 624 O MET A 44 1.060 -10.050 -5.097 1.00 0.00 O ATOM 625 CB MET A 44 0.789 -10.118 -8.436 1.00 0.00 C ATOM 626 CG MET A 44 1.494 -8.772 -8.463 1.00 0.00 C ATOM 627 SD MET A 44 0.820 -7.660 -9.712 1.00 0.00 S ATOM 628 CE MET A 44 2.323 -7.073 -10.489 1.00 0.00 C ATOM 0 H MET A 44 -0.255 -11.656 -5.955 1.00 0.00 H new ATOM 0 HA MET A 44 2.057 -11.651 -7.626 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.968 -10.632 -9.380 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.286 -9.954 -8.361 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.412 -8.303 -7.482 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.556 -8.926 -8.654 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.071 -6.373 -11.286 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.944 -6.570 -9.747 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.870 -7.918 -10.907 1.00 0.00 H new ATOM 638 N GLU A 45 2.914 -9.581 -6.284 1.00 0.00 N ATOM 639 CA GLU A 45 3.499 -8.742 -5.244 1.00 0.00 C ATOM 640 C GLU A 45 4.142 -7.496 -5.848 1.00 0.00 C ATOM 641 O GLU A 45 4.875 -7.577 -6.834 1.00 0.00 O ATOM 642 CB GLU A 45 4.540 -9.531 -4.447 1.00 0.00 C ATOM 643 CG GLU A 45 4.763 -8.997 -3.042 1.00 0.00 C ATOM 644 CD GLU A 45 6.174 -9.240 -2.543 1.00 0.00 C ATOM 645 OE1 GLU A 45 7.125 -8.774 -3.205 1.00 0.00 O ATOM 646 OE2 GLU A 45 6.328 -9.895 -1.491 1.00 0.00 O ATOM 0 H GLU A 45 3.484 -9.670 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 45 2.699 -8.428 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.225 -10.573 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.487 -9.516 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.555 -7.927 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.054 -9.469 -2.361 1.00 0.00 H new ATOM 653 N THR A 46 3.861 -6.343 -5.249 1.00 0.00 N ATOM 654 CA THR A 46 4.409 -5.080 -5.727 1.00 0.00 C ATOM 655 C THR A 46 5.043 -4.290 -4.588 1.00 0.00 C ATOM 656 O THR A 46 4.581 -4.347 -3.448 1.00 0.00 O ATOM 657 CB THR A 46 3.324 -4.215 -6.396 1.00 0.00 C ATOM 658 OG1 THR A 46 2.489 -5.030 -7.225 1.00 0.00 O ATOM 659 CG2 THR A 46 3.953 -3.110 -7.231 1.00 0.00 C ATOM 0 H THR A 46 3.257 -6.258 -4.432 1.00 0.00 H new ATOM 0 HA THR A 46 5.173 -5.325 -6.464 1.00 0.00 H new ATOM 0 HB THR A 46 2.720 -3.758 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.801 -4.473 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.168 -2.512 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.564 -2.474 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.578 -3.551 -8.007 1.00 0.00 H new ATOM 667 N ILE A 47 6.102 -3.552 -4.903 1.00 0.00 N ATOM 668 CA ILE A 47 6.798 -2.749 -3.906 1.00 0.00 C ATOM 669 C ILE A 47 6.603 -1.259 -4.167 1.00 0.00 C ATOM 670 O ILE A 47 7.119 -0.717 -5.144 1.00 0.00 O ATOM 671 CB ILE A 47 8.305 -3.062 -3.883 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.538 -4.532 -3.527 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.020 -2.152 -2.895 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.215 -5.485 -4.656 1.00 0.00 C ATOM 0 H ILE A 47 6.497 -3.494 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 47 6.368 -3.005 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 47 8.714 -2.880 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.580 -4.666 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.929 -4.789 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.085 -2.385 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.878 -1.112 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.610 -2.306 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.403 -6.509 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.166 -5.379 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.842 -5.255 -5.517 1.00 0.00 H new ATOM 686 N TYR A 48 5.856 -0.603 -3.286 1.00 0.00 N ATOM 687 CA TYR A 48 5.593 0.825 -3.421 1.00 0.00 C ATOM 688 C TYR A 48 6.634 1.645 -2.665 1.00 0.00 C ATOM 689 O TYR A 48 6.745 1.554 -1.443 1.00 0.00 O ATOM 690 CB TYR A 48 4.192 1.158 -2.903 1.00 0.00 C ATOM 691 CG TYR A 48 3.089 0.409 -3.617 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.663 -0.835 -3.168 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.473 0.946 -4.741 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.656 -1.522 -3.818 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.465 0.266 -5.396 1.00 0.00 C ATOM 696 CZ TYR A 48 1.060 -0.967 -4.931 1.00 0.00 C ATOM 697 OH TYR A 48 0.056 -1.649 -5.581 1.00 0.00 O ATOM 0 H TYR A 48 5.422 -1.037 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 48 5.653 1.081 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.144 0.931 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.020 2.229 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.127 -1.272 -2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.788 1.911 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.337 -2.488 -3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.996 0.698 -6.268 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.431 -2.205 -4.938 1.00 0.00 H new ATOM 707 N ASP A 49 7.395 2.446 -3.403 1.00 0.00 N ATOM 708 CA ASP A 49 8.427 3.285 -2.804 1.00 0.00 C ATOM 709 C ASP A 49 7.807 4.357 -1.914 1.00 0.00 C ATOM 710 O ASP A 49 6.868 5.046 -2.315 1.00 0.00 O ATOM 711 CB ASP A 49 9.278 3.938 -3.894 1.00 0.00 C ATOM 712 CG ASP A 49 10.195 2.948 -4.584 1.00 0.00 C ATOM 713 OD1 ASP A 49 11.050 2.350 -3.897 1.00 0.00 O ATOM 714 OD2 ASP A 49 10.057 2.769 -5.812 1.00 0.00 O ATOM 0 H ASP A 49 7.317 2.532 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 49 9.064 2.651 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.624 4.399 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.875 4.737 -3.455 1.00 0.00 H new ATOM 719 N LEU A 50 8.337 4.493 -0.703 1.00 0.00 N ATOM 720 CA LEU A 50 7.835 5.481 0.245 1.00 0.00 C ATOM 721 C LEU A 50 8.779 6.676 0.338 1.00 0.00 C ATOM 722 O LEU A 50 9.974 6.518 0.584 1.00 0.00 O ATOM 723 CB LEU A 50 7.659 4.848 1.626 1.00 0.00 C ATOM 724 CG LEU A 50 6.787 3.593 1.683 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.684 3.078 3.110 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.403 3.879 1.116 1.00 0.00 C ATOM 0 H LEU A 50 9.114 3.931 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 50 6.867 5.833 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.645 4.599 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.230 5.595 2.294 1.00 0.00 H new ATOM 0 HG LEU A 50 7.256 2.821 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.060 2.185 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.679 2.834 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.239 3.846 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.796 2.975 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.927 4.667 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.494 4.200 0.078 1.00 0.00 H new ATOM 738 N GLY A 51 8.234 7.872 0.140 1.00 0.00 N ATOM 739 CA GLY A 51 9.041 9.076 0.207 1.00 0.00 C ATOM 740 C GLY A 51 9.223 9.573 1.628 1.00 0.00 C ATOM 741 O GLY A 51 9.698 8.839 2.495 1.00 0.00 O ATOM 0 H GLY A 51 7.247 8.029 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.018 8.880 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.572 9.858 -0.391 1.00 0.00 H new ATOM 745 N THR A 52 8.847 10.825 1.868 1.00 0.00 N ATOM 746 CA THR A 52 8.974 11.421 3.192 1.00 0.00 C ATOM 747 C THR A 52 7.606 11.724 3.792 1.00 0.00 C ATOM 748 O THR A 52 7.408 11.610 5.002 1.00 0.00 O ATOM 749 CB THR A 52 9.801 12.720 3.146 1.00 0.00 C ATOM 750 OG1 THR A 52 11.048 12.484 2.483 1.00 0.00 O ATOM 751 CG2 THR A 52 10.060 13.246 4.550 1.00 0.00 C ATOM 0 H THR A 52 8.452 11.446 1.162 1.00 0.00 H new ATOM 0 HA THR A 52 9.489 10.693 3.818 1.00 0.00 H new ATOM 0 HB THR A 52 9.232 13.467 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.567 13.315 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.646 14.164 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.110 13.452 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.611 12.500 5.122 1.00 0.00 H new ATOM 759 N LYS A 53 6.664 12.110 2.939 1.00 0.00 N ATOM 760 CA LYS A 53 5.312 12.428 3.384 1.00 0.00 C ATOM 761 C LYS A 53 4.490 11.158 3.577 1.00 0.00 C ATOM 762 O LYS A 53 3.766 11.020 4.563 1.00 0.00 O ATOM 763 CB LYS A 53 4.622 13.345 2.372 1.00 0.00 C ATOM 764 CG LYS A 53 5.070 14.794 2.460 1.00 0.00 C ATOM 765 CD LYS A 53 4.263 15.565 3.491 1.00 0.00 C ATOM 766 CE LYS A 53 4.944 16.871 3.869 1.00 0.00 C ATOM 767 NZ LYS A 53 4.537 17.338 5.224 1.00 0.00 N ATOM 0 H LYS A 53 6.812 12.210 1.935 1.00 0.00 H new ATOM 0 HA LYS A 53 5.384 12.943 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.817 12.974 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.544 13.297 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.128 14.834 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.964 15.269 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.269 15.773 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.129 14.952 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.025 16.738 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.697 17.636 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.023 18.231 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.508 17.490 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.795 16.620 5.931 1.00 0.00 H new ATOM 781 N MET A 54 4.608 10.232 2.631 1.00 0.00 N ATOM 782 CA MET A 54 3.878 8.972 2.700 1.00 0.00 C ATOM 783 C MET A 54 4.130 8.269 4.030 1.00 0.00 C ATOM 784 O MET A 54 3.225 7.662 4.603 1.00 0.00 O ATOM 785 CB MET A 54 4.283 8.058 1.542 1.00 0.00 C ATOM 786 CG MET A 54 3.484 8.297 0.271 1.00 0.00 C ATOM 787 SD MET A 54 3.456 6.856 -0.813 1.00 0.00 S ATOM 788 CE MET A 54 2.315 7.406 -2.079 1.00 0.00 C ATOM 0 H MET A 54 5.202 10.331 1.808 1.00 0.00 H new ATOM 0 HA MET A 54 2.814 9.194 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.342 8.203 1.328 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.159 7.020 1.849 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.462 8.568 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.910 9.144 -0.267 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.193 6.621 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.349 7.629 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.707 8.303 -2.557 1.00 0.00 H new ATOM 798 N ILE A 55 5.365 8.354 4.514 1.00 0.00 N ATOM 799 CA ILE A 55 5.735 7.727 5.776 1.00 0.00 C ATOM 800 C ILE A 55 5.031 8.398 6.951 1.00 0.00 C ATOM 801 O ILE A 55 4.385 7.735 7.761 1.00 0.00 O ATOM 802 CB ILE A 55 7.257 7.779 6.006 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.994 7.137 4.829 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.620 7.083 7.309 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.501 7.203 4.952 1.00 0.00 C ATOM 0 H ILE A 55 6.126 8.851 4.051 1.00 0.00 H new ATOM 0 HA ILE A 55 5.421 6.685 5.714 1.00 0.00 H new ATOM 0 HB ILE A 55 7.564 8.823 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.690 6.094 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.691 7.632 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.699 7.128 7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.118 7.580 8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.303 6.041 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.958 6.729 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.816 8.245 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.815 6.682 5.857 1.00 0.00 H new ATOM 817 N GLU A 56 5.160 9.719 7.035 1.00 0.00 N ATOM 818 CA GLU A 56 4.536 10.480 8.110 1.00 0.00 C ATOM 819 C GLU A 56 3.141 9.943 8.418 1.00 0.00 C ATOM 820 O GLU A 56 2.648 10.070 9.539 1.00 0.00 O ATOM 821 CB GLU A 56 4.453 11.961 7.735 1.00 0.00 C ATOM 822 CG GLU A 56 5.808 12.639 7.628 1.00 0.00 C ATOM 823 CD GLU A 56 6.483 12.812 8.975 1.00 0.00 C ATOM 824 OE1 GLU A 56 6.258 13.856 9.621 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.235 11.902 9.382 1.00 0.00 O ATOM 0 H GLU A 56 5.691 10.283 6.372 1.00 0.00 H new ATOM 0 HA GLU A 56 5.153 10.373 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.932 12.057 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.853 12.483 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.453 12.051 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.685 13.615 7.159 1.00 0.00 H new ATOM 832 N SER A 57 2.510 9.342 7.414 1.00 0.00 N ATOM 833 CA SER A 57 1.170 8.790 7.575 1.00 0.00 C ATOM 834 C SER A 57 1.231 7.370 8.131 1.00 0.00 C ATOM 835 O SER A 57 0.492 7.019 9.051 1.00 0.00 O ATOM 836 CB SER A 57 0.429 8.794 6.236 1.00 0.00 C ATOM 837 OG SER A 57 -0.101 10.077 5.951 1.00 0.00 O ATOM 0 H SER A 57 2.905 9.225 6.481 1.00 0.00 H new ATOM 0 HA SER A 57 0.628 9.417 8.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.109 8.493 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.377 8.061 6.261 1.00 0.00 H new ATOM 0 HG SER A 57 -0.568 10.054 5.090 1.00 0.00 H new ATOM 843 N LEU A 58 2.118 6.558 7.565 1.00 0.00 N ATOM 844 CA LEU A 58 2.277 5.176 8.003 1.00 0.00 C ATOM 845 C LEU A 58 2.631 5.111 9.485 1.00 0.00 C ATOM 846 O LEU A 58 2.594 4.043 10.098 1.00 0.00 O ATOM 847 CB LEU A 58 3.361 4.481 7.178 1.00 0.00 C ATOM 848 CG LEU A 58 3.177 4.518 5.660 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.923 3.367 5.003 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.699 4.471 5.301 1.00 0.00 C ATOM 0 H LEU A 58 2.737 6.833 6.803 1.00 0.00 H new ATOM 0 HA LEU A 58 1.328 4.662 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.321 4.937 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.416 3.439 7.492 1.00 0.00 H new ATOM 0 HG LEU A 58 3.592 5.454 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.780 3.410 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.986 3.444 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.538 2.420 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.587 4.498 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.260 3.552 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.190 5.329 5.740 1.00 0.00 H new ATOM 862 N THR A 59 2.971 6.262 10.058 1.00 0.00 N ATOM 863 CA THR A 59 3.330 6.337 11.468 1.00 0.00 C ATOM 864 C THR A 59 2.119 6.685 12.326 1.00 0.00 C ATOM 865 O THR A 59 1.899 6.089 13.381 1.00 0.00 O ATOM 866 CB THR A 59 4.435 7.381 11.712 1.00 0.00 C ATOM 867 OG1 THR A 59 4.151 8.576 10.976 1.00 0.00 O ATOM 868 CG2 THR A 59 5.795 6.837 11.301 1.00 0.00 C ATOM 0 H THR A 59 3.005 7.155 9.566 1.00 0.00 H new ATOM 0 HA THR A 59 3.702 5.353 11.752 1.00 0.00 H new ATOM 0 HB THR A 59 4.460 7.608 12.778 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.209 8.577 10.705 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.559 7.593 11.483 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.021 5.944 11.884 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.780 6.584 10.241 1.00 0.00 H new ATOM 876 N LYS A 60 1.334 7.654 11.868 1.00 0.00 N ATOM 877 CA LYS A 60 0.143 8.082 12.591 1.00 0.00 C ATOM 878 C LYS A 60 -0.886 6.958 12.658 1.00 0.00 C ATOM 879 O LYS A 60 -1.739 6.936 13.546 1.00 0.00 O ATOM 880 CB LYS A 60 -0.473 9.311 11.920 1.00 0.00 C ATOM 881 CG LYS A 60 0.282 10.599 12.200 1.00 0.00 C ATOM 882 CD LYS A 60 -0.047 11.673 11.176 1.00 0.00 C ATOM 883 CE LYS A 60 0.104 13.068 11.763 1.00 0.00 C ATOM 884 NZ LYS A 60 0.326 14.093 10.706 1.00 0.00 N ATOM 0 H LYS A 60 1.502 8.159 10.998 1.00 0.00 H new ATOM 0 HA LYS A 60 0.440 8.341 13.607 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.508 9.147 10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.503 9.422 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.032 10.958 13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.354 10.403 12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.610 11.567 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.068 11.536 10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.790 13.321 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.941 13.080 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.424 15.030 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.193 13.866 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.484 14.100 10.054 1.00 0.00 H new ATOM 898 N ASP A 61 -0.799 6.025 11.717 1.00 0.00 N ATOM 899 CA ASP A 61 -1.720 4.896 11.671 1.00 0.00 C ATOM 900 C ASP A 61 -1.031 3.613 12.124 1.00 0.00 C ATOM 901 O ASP A 61 -1.641 2.543 12.150 1.00 0.00 O ATOM 902 CB ASP A 61 -2.274 4.719 10.256 1.00 0.00 C ATOM 903 CG ASP A 61 -1.189 4.773 9.199 1.00 0.00 C ATOM 904 OD1 ASP A 61 0.003 4.727 9.569 1.00 0.00 O ATOM 905 OD2 ASP A 61 -1.531 4.861 8.001 1.00 0.00 O ATOM 0 H ASP A 61 -0.099 6.028 10.975 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.545 5.105 12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.795 3.764 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.010 5.498 10.057 1.00 0.00 H new ATOM 910 N LYS A 62 0.244 3.726 12.481 1.00 0.00 N ATOM 911 CA LYS A 62 1.017 2.576 12.934 1.00 0.00 C ATOM 912 C LYS A 62 0.812 1.383 12.006 1.00 0.00 C ATOM 913 O LYS A 62 0.655 0.250 12.461 1.00 0.00 O ATOM 914 CB LYS A 62 0.620 2.199 14.362 1.00 0.00 C ATOM 915 CG LYS A 62 0.325 3.397 15.248 1.00 0.00 C ATOM 916 CD LYS A 62 0.667 3.114 16.701 1.00 0.00 C ATOM 917 CE LYS A 62 -0.353 2.188 17.344 1.00 0.00 C ATOM 918 NZ LYS A 62 0.140 1.629 18.634 1.00 0.00 N ATOM 0 H LYS A 62 0.764 4.603 12.465 1.00 0.00 H new ATOM 0 HA LYS A 62 2.072 2.850 12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.261 1.557 14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.423 1.615 14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.896 4.258 14.900 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.730 3.660 15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.658 2.664 16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.709 4.052 17.255 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.281 2.733 17.516 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.585 1.372 16.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.584 1.003 19.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.012 1.087 18.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.337 2.406 19.296 1.00 0.00 H new ATOM 932 N VAL A 63 0.817 1.645 10.702 1.00 0.00 N ATOM 933 CA VAL A 63 0.634 0.592 9.711 1.00 0.00 C ATOM 934 C VAL A 63 1.664 -0.517 9.891 1.00 0.00 C ATOM 935 O VAL A 63 2.804 -0.261 10.279 1.00 0.00 O ATOM 936 CB VAL A 63 0.738 1.147 8.278 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.620 0.023 7.260 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.325 2.208 8.039 1.00 0.00 C ATOM 0 H VAL A 63 0.946 2.577 10.308 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.365 0.184 9.863 1.00 0.00 H new ATOM 0 HB VAL A 63 1.716 1.612 8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.696 0.434 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.422 -0.698 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.343 -0.474 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.237 2.589 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.314 1.770 8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.188 3.026 8.746 1.00 0.00 H new ATOM 948 N GLN A 64 1.255 -1.749 9.605 1.00 0.00 N ATOM 949 CA GLN A 64 2.144 -2.898 9.736 1.00 0.00 C ATOM 950 C GLN A 64 1.718 -4.024 8.800 1.00 0.00 C ATOM 951 O GLN A 64 0.697 -3.927 8.120 1.00 0.00 O ATOM 952 CB GLN A 64 2.157 -3.397 11.182 1.00 0.00 C ATOM 953 CG GLN A 64 2.954 -2.511 12.124 1.00 0.00 C ATOM 954 CD GLN A 64 3.399 -3.241 13.376 1.00 0.00 C ATOM 955 OE1 GLN A 64 3.932 -4.349 13.307 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.180 -2.624 14.531 1.00 0.00 N ATOM 0 H GLN A 64 0.315 -1.977 9.281 1.00 0.00 H new ATOM 0 HA GLN A 64 3.150 -2.582 9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.131 -3.466 11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.572 -4.405 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.830 -2.127 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.348 -1.650 12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.735 -1.706 14.543 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.456 -3.068 15.407 1.00 0.00 H new ATOM 965 N ALA A 65 2.507 -5.093 8.771 1.00 0.00 N ATOM 966 CA ALA A 65 2.211 -6.239 7.920 1.00 0.00 C ATOM 967 C ALA A 65 0.972 -6.980 8.409 1.00 0.00 C ATOM 968 O ALA A 65 0.768 -7.144 9.612 1.00 0.00 O ATOM 969 CB ALA A 65 3.405 -7.180 7.868 1.00 0.00 C ATOM 0 H ALA A 65 3.356 -5.189 9.327 1.00 0.00 H new ATOM 0 HA ALA A 65 2.009 -5.871 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.170 -8.031 7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.268 -6.651 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.634 -7.533 8.873 1.00 0.00 H new ATOM 975 N GLY A 66 0.145 -7.426 7.469 1.00 0.00 N ATOM 976 CA GLY A 66 -1.065 -8.144 7.824 1.00 0.00 C ATOM 977 C GLY A 66 -2.321 -7.349 7.524 1.00 0.00 C ATOM 978 O GLY A 66 -3.379 -7.922 7.266 1.00 0.00 O ATOM 0 H GLY A 66 0.291 -7.303 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.097 -9.087 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.039 -8.390 8.886 1.00 0.00 H new ATOM 982 N ASP A 67 -2.204 -6.026 7.560 1.00 0.00 N ATOM 983 CA ASP A 67 -3.338 -5.151 7.291 1.00 0.00 C ATOM 984 C ASP A 67 -3.374 -4.744 5.821 1.00 0.00 C ATOM 985 O ASP A 67 -2.444 -5.026 5.065 1.00 0.00 O ATOM 986 CB ASP A 67 -3.270 -3.906 8.176 1.00 0.00 C ATOM 987 CG ASP A 67 -3.968 -4.103 9.507 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.047 -4.733 9.525 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.436 -3.628 10.532 1.00 0.00 O ATOM 0 H ASP A 67 -1.335 -5.536 7.773 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.251 -5.700 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.226 -3.645 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.725 -3.066 7.651 1.00 0.00 H new ATOM 994 N VAL A 68 -4.454 -4.080 5.422 1.00 0.00 N ATOM 995 CA VAL A 68 -4.610 -3.634 4.043 1.00 0.00 C ATOM 996 C VAL A 68 -4.730 -2.116 3.966 1.00 0.00 C ATOM 997 O VAL A 68 -5.709 -1.536 4.438 1.00 0.00 O ATOM 998 CB VAL A 68 -5.850 -4.269 3.385 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.079 -3.683 2.000 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.698 -5.781 3.314 1.00 0.00 C ATOM 0 H VAL A 68 -5.234 -3.839 6.034 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.718 -3.953 3.505 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.722 -4.042 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.959 -4.144 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.234 -2.607 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.208 -3.878 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.582 -6.214 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.816 -6.031 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.586 -6.183 4.321 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.730 -1.478 3.368 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.724 -0.027 3.228 1.00 0.00 C ATOM 1012 C ILE A 69 -3.857 0.384 1.766 1.00 0.00 C ATOM 1013 O ILE A 69 -3.496 -0.369 0.861 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.437 0.589 3.808 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.210 0.055 3.066 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.333 0.294 5.297 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.962 0.737 1.739 1.00 0.00 C ATOM 0 H ILE A 69 -2.913 -1.943 2.972 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.581 0.348 3.788 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.477 1.670 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.331 0.178 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.334 -1.015 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.418 0.736 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.194 0.719 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.312 -0.784 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.077 0.308 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.825 0.592 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.806 1.803 1.902 1.00 0.00 H new ATOM 1029 N THR A 70 -4.377 1.587 1.541 1.00 0.00 N ATOM 1030 CA THR A 70 -4.558 2.101 0.189 1.00 0.00 C ATOM 1031 C THR A 70 -3.546 3.198 -0.123 1.00 0.00 C ATOM 1032 O THR A 70 -2.887 3.721 0.777 1.00 0.00 O ATOM 1033 CB THR A 70 -5.980 2.656 -0.016 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.303 3.573 1.035 1.00 0.00 O ATOM 1035 CG2 THR A 70 -7.002 1.530 -0.045 1.00 0.00 C ATOM 0 H THR A 70 -4.680 2.223 2.278 1.00 0.00 H new ATOM 0 HA THR A 70 -4.402 1.263 -0.491 1.00 0.00 H new ATOM 0 HB THR A 70 -6.009 3.176 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.208 3.923 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.999 1.947 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.770 0.849 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.971 0.986 0.899 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.428 3.542 -1.401 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.497 4.578 -1.829 1.00 0.00 C ATOM 1045 C ILE A 71 -3.147 5.515 -2.842 1.00 0.00 C ATOM 1046 O ILE A 71 -3.445 5.118 -3.969 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.226 3.971 -2.450 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.378 3.294 -1.371 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.421 5.046 -3.167 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.801 2.525 -1.924 1.00 0.00 C ATOM 0 H ILE A 71 -3.965 3.118 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.222 5.143 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.521 3.217 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.014 4.052 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.009 2.614 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.475 4.601 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.027 5.487 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.134 5.820 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.357 2.072 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.444 1.744 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.453 3.204 -2.473 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.361 6.761 -2.434 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.973 7.757 -3.306 1.00 0.00 C ATOM 1064 C ASP A 72 -2.907 8.611 -3.987 1.00 0.00 C ATOM 1065 O ASP A 72 -2.290 9.471 -3.358 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.926 8.648 -2.509 1.00 0.00 C ATOM 1067 CG ASP A 72 -6.071 9.172 -3.353 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.850 9.442 -4.553 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -7.189 9.311 -2.815 1.00 0.00 O ATOM 0 H ASP A 72 -3.120 7.106 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.539 7.232 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.328 8.084 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.371 9.489 -2.093 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.695 8.367 -5.275 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.704 9.113 -6.043 1.00 0.00 C ATOM 1076 C LYS A 73 -2.133 10.567 -6.217 1.00 0.00 C ATOM 1077 O LYS A 73 -1.303 11.475 -6.196 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.496 8.464 -7.413 1.00 0.00 C ATOM 1079 CG LYS A 73 -1.215 6.973 -7.343 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.910 6.398 -8.716 1.00 0.00 C ATOM 1081 CE LYS A 73 0.532 6.660 -9.122 1.00 0.00 C ATOM 1082 NZ LYS A 73 0.678 7.952 -9.847 1.00 0.00 N ATOM 0 H LYS A 73 -3.196 7.658 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.764 9.093 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.384 8.630 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.666 8.958 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.372 6.792 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.076 6.459 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.099 5.324 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.582 6.837 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.164 6.669 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.884 5.846 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.211 7.798 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.263 8.331 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.188 8.631 -9.247 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.434 10.779 -6.388 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.972 12.122 -6.562 1.00 0.00 C ATOM 1098 C ALA A 74 -3.307 13.108 -5.608 1.00 0.00 C ATOM 1099 O ALA A 74 -2.785 14.141 -6.029 1.00 0.00 O ATOM 1100 CB ALA A 74 -5.479 12.118 -6.354 1.00 0.00 C ATOM 0 H ALA A 74 -4.134 10.038 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.758 12.443 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.867 13.128 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.945 11.452 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.706 11.772 -5.346 1.00 0.00 H new ATOM 1106 N THR A 75 -3.330 12.784 -4.319 1.00 0.00 N ATOM 1107 CA THR A 75 -2.731 13.642 -3.304 1.00 0.00 C ATOM 1108 C THR A 75 -1.447 13.030 -2.755 1.00 0.00 C ATOM 1109 O THR A 75 -0.482 13.738 -2.473 1.00 0.00 O ATOM 1110 CB THR A 75 -3.704 13.898 -2.139 1.00 0.00 C ATOM 1111 OG1 THR A 75 -3.197 14.938 -1.295 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.914 12.632 -1.321 1.00 0.00 C ATOM 0 H THR A 75 -3.757 11.933 -3.953 1.00 0.00 H new ATOM 0 HA THR A 75 -2.500 14.591 -3.788 1.00 0.00 H new ATOM 0 HB THR A 75 -4.663 14.205 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.823 15.095 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.605 12.837 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.328 11.851 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.959 12.299 -0.914 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.444 11.709 -2.605 1.00 0.00 N ATOM 1121 CA GLY A 76 -0.273 11.024 -2.090 1.00 0.00 C ATOM 1122 C GLY A 76 -0.422 10.636 -0.632 1.00 0.00 C ATOM 1123 O GLY A 76 0.553 10.626 0.119 1.00 0.00 O ATOM 0 H GLY A 76 -2.231 11.101 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.089 10.129 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.600 11.667 -2.204 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.648 10.317 -0.230 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.924 9.926 1.148 1.00 0.00 C ATOM 1129 C LYS A 77 -2.214 8.432 1.242 1.00 0.00 C ATOM 1130 O LYS A 77 -2.678 7.819 0.280 1.00 0.00 O ATOM 1131 CB LYS A 77 -3.109 10.722 1.698 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.735 12.111 2.185 1.00 0.00 C ATOM 1133 CD LYS A 77 -3.707 12.613 3.240 1.00 0.00 C ATOM 1134 CE LYS A 77 -4.980 13.158 2.611 1.00 0.00 C ATOM 1135 NZ LYS A 77 -5.726 14.043 3.548 1.00 0.00 N ATOM 0 H LYS A 77 -2.466 10.322 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.039 10.144 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.868 10.811 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.559 10.166 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.726 12.093 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.723 12.802 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.956 11.801 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.230 13.393 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.730 13.714 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.619 12.329 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.587 14.394 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.987 13.506 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.125 14.848 3.818 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.939 7.852 2.406 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.174 6.430 2.625 1.00 0.00 C ATOM 1151 C ILE A 78 -3.150 6.205 3.774 1.00 0.00 C ATOM 1152 O ILE A 78 -2.968 6.735 4.870 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.861 5.683 2.927 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.103 5.802 1.745 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.144 4.222 3.242 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.560 5.770 2.148 1.00 0.00 C ATOM 0 H ILE A 78 -1.553 8.345 3.211 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.604 6.035 1.704 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.393 6.139 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.090 4.988 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.098 6.733 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.207 3.707 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.798 4.157 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.631 3.753 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.185 5.859 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.769 6.600 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.778 4.828 2.652 1.00 0.00 H new ATOM 1168 N SER A 79 -4.187 5.415 3.516 1.00 0.00 N ATOM 1169 CA SER A 79 -5.194 5.120 4.529 1.00 0.00 C ATOM 1170 C SER A 79 -5.262 3.622 4.808 1.00 0.00 C ATOM 1171 O SER A 79 -4.940 2.802 3.947 1.00 0.00 O ATOM 1172 CB SER A 79 -6.565 5.629 4.078 1.00 0.00 C ATOM 1173 OG SER A 79 -6.524 7.015 3.788 1.00 0.00 O ATOM 0 H SER A 79 -4.352 4.968 2.614 1.00 0.00 H new ATOM 0 HA SER A 79 -4.909 5.630 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.888 5.079 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.302 5.439 4.859 1.00 0.00 H new ATOM 0 HG SER A 79 -7.411 7.315 3.501 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.683 3.270 6.018 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.796 1.871 6.413 1.00 0.00 C ATOM 1181 C LYS A 80 -7.234 1.383 6.282 1.00 0.00 C ATOM 1182 O LYS A 80 -8.180 2.124 6.554 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.312 1.687 7.854 1.00 0.00 C ATOM 1184 CG LYS A 80 -3.831 1.369 7.962 1.00 0.00 C ATOM 1185 CD LYS A 80 -3.409 1.164 9.408 1.00 0.00 C ATOM 1186 CE LYS A 80 -3.737 -0.241 9.890 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.150 -0.355 10.347 1.00 0.00 N ATOM 0 H LYS A 80 -5.952 3.935 6.743 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.169 1.279 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.522 2.596 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.882 0.884 8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.608 0.471 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.251 2.181 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.338 1.342 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.912 1.894 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.557 -0.953 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.068 -0.510 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.186 -0.904 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.538 0.595 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.713 -0.836 9.617 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.394 0.131 5.865 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.718 -0.457 5.699 1.00 0.00 C ATOM 1203 C LEU A 81 -8.902 -1.654 6.626 1.00 0.00 C ATOM 1204 O LEU A 81 -9.883 -1.737 7.363 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.929 -0.886 4.246 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.241 -0.025 3.186 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.535 -0.558 1.792 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.683 1.426 3.308 1.00 0.00 C ATOM 0 H LEU A 81 -6.623 -0.496 5.636 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.459 0.299 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.578 -1.912 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.000 -0.892 4.042 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.165 -0.071 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.037 0.067 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.168 -1.581 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.611 -0.543 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.183 2.024 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.762 1.490 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.420 1.804 4.296 1.00 0.00 H new ATOM 1220 N GLY A 82 -7.948 -2.580 6.585 1.00 0.00 N ATOM 1221 CA GLY A 82 -8.023 -3.760 7.427 1.00 0.00 C ATOM 1222 C GLY A 82 -7.873 -5.046 6.638 1.00 0.00 C ATOM 1223 O GLY A 82 -6.867 -5.745 6.764 1.00 0.00 O ATOM 0 H GLY A 82 -7.125 -2.534 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.243 -3.711 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.979 -3.768 7.951 1.00 0.00 H new ATOM 1227 N ARG A 83 -8.875 -5.360 5.825 1.00 0.00 N ATOM 1228 CA ARG A 83 -8.851 -6.572 5.015 1.00 0.00 C ATOM 1229 C ARG A 83 -9.243 -6.269 3.571 1.00 0.00 C ATOM 1230 O ARG A 83 -9.722 -5.178 3.263 1.00 0.00 O ATOM 1231 CB ARG A 83 -9.797 -7.621 5.602 1.00 0.00 C ATOM 1232 CG ARG A 83 -9.150 -8.501 6.659 1.00 0.00 C ATOM 1233 CD ARG A 83 -9.217 -7.858 8.035 1.00 0.00 C ATOM 1234 NE ARG A 83 -10.551 -7.955 8.621 1.00 0.00 N ATOM 1235 CZ ARG A 83 -10.863 -7.480 9.821 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -9.941 -6.878 10.560 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -12.100 -7.606 10.285 1.00 0.00 N ATOM 0 H ARG A 83 -9.714 -4.792 5.709 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.834 -6.964 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.659 -7.117 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.172 -8.252 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.650 -9.469 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.109 -8.686 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.495 -8.339 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.930 -6.809 7.959 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.283 -8.413 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.989 -6.779 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.184 -6.514 11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.812 -8.068 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.339 -7.241 11.207 1.00 0.00 H new ATOM 1251 N SER A 84 -9.034 -7.243 2.691 1.00 0.00 N ATOM 1252 CA SER A 84 -9.361 -7.079 1.279 1.00 0.00 C ATOM 1253 C SER A 84 -10.554 -7.948 0.894 1.00 0.00 C ATOM 1254 O SER A 84 -11.581 -7.445 0.435 1.00 0.00 O ATOM 1255 CB SER A 84 -8.154 -7.437 0.410 1.00 0.00 C ATOM 1256 OG SER A 84 -7.676 -8.736 0.711 1.00 0.00 O ATOM 0 H SER A 84 -8.640 -8.153 2.930 1.00 0.00 H new ATOM 0 HA SER A 84 -9.624 -6.035 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.431 -7.383 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.359 -6.708 0.568 1.00 0.00 H new ATOM 0 HG SER A 84 -6.906 -8.941 0.141 1.00 0.00 H new ATOM 1262 N PHE A 85 -10.412 -9.255 1.083 1.00 0.00 N ATOM 1263 CA PHE A 85 -11.478 -10.196 0.755 1.00 0.00 C ATOM 1264 C PHE A 85 -11.757 -10.199 -0.745 1.00 0.00 C ATOM 1265 O PHE A 85 -12.907 -10.306 -1.175 1.00 0.00 O ATOM 1266 CB PHE A 85 -12.753 -9.842 1.522 1.00 0.00 C ATOM 1267 CG PHE A 85 -13.680 -11.009 1.715 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -13.233 -12.172 2.320 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -14.997 -10.942 1.291 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -14.082 -13.248 2.499 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -15.852 -12.013 1.469 1.00 0.00 C ATOM 1272 CZ PHE A 85 -15.393 -13.168 2.072 1.00 0.00 C ATOM 0 H PHE A 85 -9.569 -9.688 1.462 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.152 -11.194 1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.481 -9.439 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -13.282 -9.053 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.209 -12.239 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.360 -10.043 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -13.721 -14.149 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.878 -11.947 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 85 -16.059 -14.007 2.209 1.00 0.00 H new ATOM 1282 N THR A 86 -10.697 -10.079 -1.539 1.00 0.00 N ATOM 1283 CA THR A 86 -10.828 -10.066 -2.991 1.00 0.00 C ATOM 1284 C THR A 86 -9.911 -11.101 -3.634 1.00 0.00 C ATOM 1285 O THR A 86 -8.688 -10.963 -3.604 1.00 0.00 O ATOM 1286 CB THR A 86 -10.503 -8.677 -3.571 1.00 0.00 C ATOM 1287 OG1 THR A 86 -11.303 -7.678 -2.929 1.00 0.00 O ATOM 1288 CG2 THR A 86 -10.752 -8.646 -5.072 1.00 0.00 C ATOM 0 H THR A 86 -9.739 -9.989 -1.201 1.00 0.00 H new ATOM 0 HA THR A 86 -11.865 -10.312 -3.218 1.00 0.00 H new ATOM 0 HB THR A 86 -9.449 -8.469 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.089 -6.798 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.516 -7.655 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.120 -9.387 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.799 -8.874 -5.272 1.00 0.00 H new ATOM 1296 N ARG A 87 -10.509 -12.135 -4.216 1.00 0.00 N ATOM 1297 CA ARG A 87 -9.746 -13.193 -4.866 1.00 0.00 C ATOM 1298 C ARG A 87 -10.459 -13.684 -6.123 1.00 0.00 C ATOM 1299 O ARG A 87 -11.662 -13.941 -6.105 1.00 0.00 O ATOM 1300 CB ARG A 87 -9.526 -14.360 -3.902 1.00 0.00 C ATOM 1301 CG ARG A 87 -8.859 -13.955 -2.598 1.00 0.00 C ATOM 1302 CD ARG A 87 -7.366 -13.730 -2.783 1.00 0.00 C ATOM 1303 NE ARG A 87 -6.655 -14.975 -3.059 1.00 0.00 N ATOM 1304 CZ ARG A 87 -6.291 -15.838 -2.117 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -6.571 -15.592 -0.844 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -5.647 -16.950 -2.447 1.00 0.00 N ATOM 0 H ARG A 87 -11.520 -12.263 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.778 -12.783 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.487 -14.823 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.914 -15.116 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.321 -13.044 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.021 -14.730 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.204 -13.030 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.955 -13.269 -1.885 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.425 -15.194 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.067 -14.739 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.290 -16.256 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.431 -17.143 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.368 -17.612 -1.723 1.00 0.00 H new ATOM 1320 N ALA A 88 -9.708 -13.812 -7.211 1.00 0.00 N ATOM 1321 CA ALA A 88 -10.267 -14.274 -8.476 1.00 0.00 C ATOM 1322 C ALA A 88 -10.395 -15.793 -8.497 1.00 0.00 C ATOM 1323 O ALA A 88 -9.789 -16.488 -7.681 1.00 0.00 O ATOM 1324 CB ALA A 88 -9.408 -13.798 -9.638 1.00 0.00 C ATOM 0 H ALA A 88 -8.710 -13.602 -7.242 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.266 -13.850 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.837 -14.150 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.372 -12.709 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.398 -14.194 -9.530 1.00 0.00 H new ATOM 1330 N ARG A 89 -11.188 -16.303 -9.434 1.00 0.00 N ATOM 1331 CA ARG A 89 -11.397 -17.740 -9.560 1.00 0.00 C ATOM 1332 C ARG A 89 -10.944 -18.238 -10.929 1.00 0.00 C ATOM 1333 O ARG A 89 -10.249 -19.248 -11.034 1.00 0.00 O ATOM 1334 CB ARG A 89 -12.872 -18.083 -9.343 1.00 0.00 C ATOM 1335 CG ARG A 89 -13.274 -18.144 -7.879 1.00 0.00 C ATOM 1336 CD ARG A 89 -13.487 -16.753 -7.301 1.00 0.00 C ATOM 1337 NE ARG A 89 -14.860 -16.290 -7.483 1.00 0.00 N ATOM 1338 CZ ARG A 89 -15.881 -16.705 -6.741 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -15.684 -17.588 -5.772 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -17.101 -16.236 -6.967 1.00 0.00 N ATOM 0 H ARG A 89 -11.696 -15.742 -10.117 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.799 -18.237 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.487 -17.339 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -13.085 -19.045 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.190 -18.726 -7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.502 -18.661 -7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.245 -16.761 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.802 -16.053 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.045 -15.610 -8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.747 -17.950 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.469 -17.905 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.256 -15.556 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.884 -16.555 -6.397 1.00 0.00 H new ATOM 1354 N SER A 90 -11.342 -17.521 -11.975 1.00 0.00 N ATOM 1355 CA SER A 90 -10.981 -17.892 -13.338 1.00 0.00 C ATOM 1356 C SER A 90 -11.223 -16.732 -14.299 1.00 0.00 C ATOM 1357 O SER A 90 -12.296 -16.130 -14.306 1.00 0.00 O ATOM 1358 CB SER A 90 -11.782 -19.116 -13.786 1.00 0.00 C ATOM 1359 OG SER A 90 -11.124 -19.800 -14.838 1.00 0.00 O ATOM 0 H SER A 90 -11.915 -16.680 -11.905 1.00 0.00 H new ATOM 0 HA SER A 90 -9.919 -18.137 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.923 -19.791 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.774 -18.805 -14.115 1.00 0.00 H new ATOM 0 HG SER A 90 -11.656 -20.579 -15.105 1.00 0.00 H new ATOM 1365 N GLY A 91 -10.215 -16.424 -15.110 1.00 0.00 N ATOM 1366 CA GLY A 91 -10.337 -15.337 -16.065 1.00 0.00 C ATOM 1367 C GLY A 91 -10.086 -13.981 -15.435 1.00 0.00 C ATOM 1368 O GLY A 91 -10.411 -13.744 -14.272 1.00 0.00 O ATOM 0 H GLY A 91 -9.317 -16.907 -15.123 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.630 -15.492 -16.880 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.335 -15.352 -16.502 1.00 0.00 H new ATOM 1372 N PRO A 92 -9.491 -13.064 -16.213 1.00 0.00 N ATOM 1373 CA PRO A 92 -9.182 -11.710 -15.744 1.00 0.00 C ATOM 1374 C PRO A 92 -10.436 -10.867 -15.540 1.00 0.00 C ATOM 1375 O PRO A 92 -10.537 -10.111 -14.574 1.00 0.00 O ATOM 1376 CB PRO A 92 -8.327 -11.131 -16.874 1.00 0.00 C ATOM 1377 CG PRO A 92 -8.733 -11.895 -18.087 1.00 0.00 C ATOM 1378 CD PRO A 92 -9.076 -13.279 -17.609 1.00 0.00 C ATOM 0 HA PRO A 92 -8.684 -11.718 -14.774 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.508 -10.063 -17.000 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.264 -11.252 -16.668 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.588 -11.427 -18.575 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.925 -11.924 -18.819 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.876 -13.722 -18.202 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.220 -13.951 -17.675 1.00 0.00 H new ATOM 1386 N SER A 93 -11.390 -11.002 -16.456 1.00 0.00 N ATOM 1387 CA SER A 93 -12.637 -10.249 -16.378 1.00 0.00 C ATOM 1388 C SER A 93 -13.174 -10.235 -14.950 1.00 0.00 C ATOM 1389 O SER A 93 -13.127 -9.212 -14.268 1.00 0.00 O ATOM 1390 CB SER A 93 -13.680 -10.850 -17.322 1.00 0.00 C ATOM 1391 OG SER A 93 -13.203 -10.881 -18.656 1.00 0.00 O ATOM 0 H SER A 93 -11.323 -11.625 -17.261 1.00 0.00 H new ATOM 0 HA SER A 93 -12.433 -9.222 -16.681 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.929 -11.861 -16.998 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.598 -10.265 -17.274 1.00 0.00 H new ATOM 0 HG SER A 93 -13.887 -11.271 -19.239 1.00 0.00 H new ATOM 1397 N SER A 94 -13.684 -11.379 -14.505 1.00 0.00 N ATOM 1398 CA SER A 94 -14.235 -11.499 -13.160 1.00 0.00 C ATOM 1399 C SER A 94 -13.122 -11.505 -12.117 1.00 0.00 C ATOM 1400 O SER A 94 -11.976 -11.837 -12.417 1.00 0.00 O ATOM 1401 CB SER A 94 -15.070 -12.775 -13.040 1.00 0.00 C ATOM 1402 OG SER A 94 -14.250 -13.929 -13.100 1.00 0.00 O ATOM 0 H SER A 94 -13.727 -12.236 -15.056 1.00 0.00 H new ATOM 0 HA SER A 94 -14.876 -10.636 -12.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.621 -12.765 -12.100 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.808 -12.807 -13.842 1.00 0.00 H new ATOM 0 HG SER A 94 -14.807 -14.731 -13.020 1.00 0.00 H new ATOM 1408 N GLY A 95 -13.469 -11.136 -10.887 1.00 0.00 N ATOM 1409 CA GLY A 95 -12.490 -11.106 -9.817 1.00 0.00 C ATOM 1410 C GLY A 95 -12.725 -9.965 -8.847 1.00 0.00 C ATOM 1411 O GLY A 95 -13.747 -9.925 -8.163 1.00 0.00 O ATOM 0 H GLY A 95 -14.411 -10.857 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.520 -12.051 -9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.492 -11.015 -10.245 1.00 0.00 H new TER 1415 GLY A 95