USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 570 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 9 SER OG : rot 180:sc= -0.593 USER MOD Set 1.2: A 29 MET CE :methyl -179:sc= -2.39 (180deg=-1.64) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot 104:sc= 0.134 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 1.03 USER MOD Set 3.2: A 14 THR OG1 : rot 176:sc= 0.084! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -129:sc= -8.59! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.71! USER MOD Single : A 16 CYS SG : rot -6:sc= -2.61! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -4.07 X(o=-4.1,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -99:sc= -0.549 USER MOD Single : A 43 SER OG : rot -113:sc= -2.87! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -1.31 USER MOD Single : A 50 SER OG : rot 83:sc= -4.25! USER MOD Single : A 55 THR OG1 : rot -111:sc= -10.8! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.982 (180deg=-2.78!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 7.752 -6.726 12.078 1.00 0.00 N ATOM 9 CA GLU A 2 7.208 -5.395 12.287 1.00 0.00 C ATOM 10 C GLU A 2 7.325 -4.567 11.006 1.00 0.00 C ATOM 11 O GLU A 2 6.379 -3.886 10.614 1.00 0.00 O ATOM 12 CB GLU A 2 7.903 -4.696 13.456 1.00 0.00 C ATOM 13 CG GLU A 2 7.383 -3.267 13.628 1.00 0.00 C ATOM 14 CD GLU A 2 7.016 -2.989 15.087 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.810 -3.280 15.993 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.858 -2.448 15.264 1.00 0.00 O ATOM 0 HA GLU A 2 6.152 -5.491 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.736 -5.261 14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.979 -4.677 13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.142 -2.558 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.509 -3.115 12.994 1.00 0.00 H new ATOM 24 N ALA A 3 8.493 -4.653 10.388 1.00 0.00 N ATOM 25 CA ALA A 3 8.747 -3.919 9.160 1.00 0.00 C ATOM 26 C ALA A 3 7.768 -4.388 8.080 1.00 0.00 C ATOM 27 O ALA A 3 7.206 -3.573 7.350 1.00 0.00 O ATOM 28 CB ALA A 3 10.206 -4.108 8.743 1.00 0.00 C ATOM 0 H ALA A 3 9.275 -5.220 10.715 1.00 0.00 H new ATOM 0 HA ALA A 3 8.587 -2.852 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.395 -3.557 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.861 -3.735 9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.403 -5.167 8.579 1.00 0.00 H new ATOM 34 N VAL A 4 7.594 -5.699 8.014 1.00 0.00 N ATOM 35 CA VAL A 4 6.693 -6.287 7.037 1.00 0.00 C ATOM 36 C VAL A 4 5.414 -5.451 6.961 1.00 0.00 C ATOM 37 O VAL A 4 4.979 -5.073 5.874 1.00 0.00 O ATOM 38 CB VAL A 4 6.428 -7.754 7.383 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.328 -8.682 6.563 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.604 -8.003 8.882 1.00 0.00 C ATOM 0 H VAL A 4 8.062 -6.372 8.621 1.00 0.00 H new ATOM 0 HA VAL A 4 7.147 -6.278 6.046 1.00 0.00 H new ATOM 0 HB VAL A 4 5.393 -7.978 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.120 -9.719 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.133 -8.533 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.373 -8.456 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.410 -9.053 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.624 -7.753 9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.904 -7.380 9.439 1.00 0.00 H new ATOM 50 N ILE A 5 4.849 -5.185 8.129 1.00 0.00 N ATOM 51 CA ILE A 5 3.628 -4.400 8.209 1.00 0.00 C ATOM 52 C ILE A 5 3.988 -2.918 8.329 1.00 0.00 C ATOM 53 O ILE A 5 3.354 -2.069 7.703 1.00 0.00 O ATOM 54 CB ILE A 5 2.736 -4.910 9.342 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.636 -6.436 9.316 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.360 -4.244 9.299 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.785 -7.049 8.514 1.00 0.00 C ATOM 0 H ILE A 5 5.214 -5.499 9.028 1.00 0.00 H new ATOM 0 HA ILE A 5 3.041 -4.514 7.298 1.00 0.00 H new ATOM 0 HB ILE A 5 3.197 -4.634 10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.653 -6.822 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.683 -6.734 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.746 -4.625 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.475 -3.165 9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.877 -4.467 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.689 -8.135 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.751 -6.680 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.736 -6.770 8.969 1.00 0.00 H new ATOM 69 N LYS A 6 5.004 -2.651 9.136 1.00 0.00 N ATOM 70 CA LYS A 6 5.455 -1.286 9.346 1.00 0.00 C ATOM 71 C LYS A 6 5.681 -0.615 7.990 1.00 0.00 C ATOM 72 O LYS A 6 5.359 0.559 7.814 1.00 0.00 O ATOM 73 CB LYS A 6 6.684 -1.262 10.257 1.00 0.00 C ATOM 74 CG LYS A 6 6.353 -0.627 11.608 1.00 0.00 C ATOM 75 CD LYS A 6 7.607 -0.043 12.261 1.00 0.00 C ATOM 76 CE LYS A 6 7.292 0.523 13.648 1.00 0.00 C ATOM 77 NZ LYS A 6 6.697 1.872 13.534 1.00 0.00 N ATOM 0 H LYS A 6 5.528 -3.357 9.653 1.00 0.00 H new ATOM 0 HA LYS A 6 4.691 -0.707 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.049 -2.278 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.487 -0.704 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.610 0.159 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.910 -1.374 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.371 -0.816 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.018 0.744 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.604 -0.141 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.204 0.570 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.489 2.241 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.366 2.507 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.816 1.818 12.984 1.00 0.00 H new ATOM 90 N VAL A 7 6.232 -1.388 7.066 1.00 0.00 N ATOM 91 CA VAL A 7 6.505 -0.883 5.732 1.00 0.00 C ATOM 92 C VAL A 7 5.183 -0.594 5.021 1.00 0.00 C ATOM 93 O VAL A 7 4.902 0.549 4.663 1.00 0.00 O ATOM 94 CB VAL A 7 7.392 -1.869 4.970 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.575 -2.663 3.948 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.562 -1.149 4.295 1.00 0.00 C ATOM 0 H VAL A 7 6.497 -2.362 7.215 1.00 0.00 H new ATOM 0 HA VAL A 7 7.057 0.055 5.784 1.00 0.00 H new ATOM 0 HB VAL A 7 7.805 -2.574 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.229 -3.357 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.793 -3.221 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.121 -1.977 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.176 -1.874 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.178 -0.410 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.167 -0.649 5.052 1.00 0.00 H new ATOM 106 N ILE A 8 4.403 -1.650 4.836 1.00 0.00 N ATOM 107 CA ILE A 8 3.116 -1.524 4.174 1.00 0.00 C ATOM 108 C ILE A 8 2.321 -0.391 4.826 1.00 0.00 C ATOM 109 O ILE A 8 1.711 0.422 4.134 1.00 0.00 O ATOM 110 CB ILE A 8 2.383 -2.867 4.168 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.539 -3.571 2.819 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.914 -2.691 4.557 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.278 -2.603 1.662 1.00 0.00 C ATOM 0 H ILE A 8 4.638 -2.597 5.133 1.00 0.00 H new ATOM 0 HA ILE A 8 3.251 -1.257 3.126 1.00 0.00 H new ATOM 0 HB ILE A 8 2.840 -3.509 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.545 -3.983 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.845 -4.410 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.416 -3.660 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.851 -2.263 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.427 -2.024 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.395 -3.129 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.263 -2.212 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.989 -1.778 1.710 1.00 0.00 H new ATOM 125 N SER A 9 2.352 -0.377 6.151 1.00 0.00 N ATOM 126 CA SER A 9 1.641 0.643 6.904 1.00 0.00 C ATOM 127 C SER A 9 2.310 2.004 6.704 1.00 0.00 C ATOM 128 O SER A 9 1.722 2.909 6.115 1.00 0.00 O ATOM 129 CB SER A 9 1.587 0.291 8.392 1.00 0.00 C ATOM 130 OG SER A 9 0.929 1.297 9.155 1.00 0.00 O ATOM 0 H SER A 9 2.858 -1.055 6.722 1.00 0.00 H new ATOM 0 HA SER A 9 0.618 0.691 6.532 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.068 -0.659 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.601 0.155 8.769 1.00 0.00 H new ATOM 0 HG SER A 9 0.914 1.034 10.099 1.00 0.00 H new ATOM 136 N SER A 10 3.532 2.106 7.205 1.00 0.00 N ATOM 137 CA SER A 10 4.288 3.341 7.088 1.00 0.00 C ATOM 138 C SER A 10 4.430 3.731 5.617 1.00 0.00 C ATOM 139 O SER A 10 4.184 4.879 5.247 1.00 0.00 O ATOM 140 CB SER A 10 5.668 3.206 7.738 1.00 0.00 C ATOM 141 OG SER A 10 6.050 4.392 8.429 1.00 0.00 O ATOM 0 H SER A 10 4.018 1.353 7.693 1.00 0.00 H new ATOM 0 HA SER A 10 3.744 4.126 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.661 2.367 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.409 2.978 6.972 1.00 0.00 H new ATOM 0 HG SER A 10 6.935 4.266 8.831 1.00 0.00 H new ATOM 147 N ALA A 11 4.827 2.755 4.814 1.00 0.00 N ATOM 148 CA ALA A 11 5.005 2.981 3.389 1.00 0.00 C ATOM 149 C ALA A 11 3.715 3.559 2.805 1.00 0.00 C ATOM 150 O ALA A 11 3.707 4.680 2.299 1.00 0.00 O ATOM 151 CB ALA A 11 5.418 1.673 2.712 1.00 0.00 C ATOM 0 H ALA A 11 5.031 1.805 5.123 1.00 0.00 H new ATOM 0 HA ALA A 11 5.801 3.704 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.551 1.843 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.355 1.320 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.642 0.923 2.866 1.00 0.00 H new ATOM 157 N CYS A 12 2.657 2.768 2.893 1.00 0.00 N ATOM 158 CA CYS A 12 1.364 3.187 2.379 1.00 0.00 C ATOM 159 C CYS A 12 1.237 4.699 2.571 1.00 0.00 C ATOM 160 O CYS A 12 0.856 5.416 1.647 1.00 0.00 O ATOM 161 CB CYS A 12 0.216 2.428 3.048 1.00 0.00 C ATOM 162 SG CYS A 12 -1.388 3.004 2.381 1.00 0.00 S ATOM 0 H CYS A 12 2.668 1.838 3.313 1.00 0.00 H new ATOM 0 HA CYS A 12 1.298 2.950 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.328 1.358 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.247 2.582 4.127 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.186 3.300 3.364 1.00 0.00 H new ATOM 168 N LYS A 13 1.565 5.139 3.777 1.00 0.00 N ATOM 169 CA LYS A 13 1.493 6.554 4.102 1.00 0.00 C ATOM 170 C LYS A 13 2.882 7.178 3.953 1.00 0.00 C ATOM 171 O LYS A 13 3.111 7.985 3.055 1.00 0.00 O ATOM 172 CB LYS A 13 0.873 6.754 5.486 1.00 0.00 C ATOM 173 CG LYS A 13 0.479 8.216 5.703 1.00 0.00 C ATOM 174 CD LYS A 13 1.045 8.748 7.022 1.00 0.00 C ATOM 175 CE LYS A 13 2.572 8.646 7.043 1.00 0.00 C ATOM 176 NZ LYS A 13 3.155 9.768 7.813 1.00 0.00 N ATOM 0 H LYS A 13 1.881 4.541 4.541 1.00 0.00 H new ATOM 0 HA LYS A 13 0.834 7.073 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.006 6.117 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.582 6.447 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.847 8.822 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.607 8.307 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.744 9.787 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.627 8.183 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.873 7.697 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.957 8.658 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.192 9.684 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.883 10.670 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.801 9.739 8.790 1.00 0.00 H new ATOM 189 N THR A 14 3.773 6.780 4.851 1.00 0.00 N ATOM 190 CA THR A 14 5.133 7.290 4.832 1.00 0.00 C ATOM 191 C THR A 14 5.674 7.312 3.401 1.00 0.00 C ATOM 192 O THR A 14 6.538 8.125 3.072 1.00 0.00 O ATOM 193 CB THR A 14 5.972 6.438 5.785 1.00 0.00 C ATOM 194 OG1 THR A 14 5.135 6.267 6.925 1.00 0.00 O ATOM 195 CG2 THR A 14 7.190 7.189 6.326 1.00 0.00 C ATOM 0 H THR A 14 3.579 6.111 5.596 1.00 0.00 H new ATOM 0 HA THR A 14 5.172 8.323 5.177 1.00 0.00 H new ATOM 0 HB THR A 14 6.302 5.536 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.572 5.667 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.750 6.538 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.829 7.491 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.860 8.074 6.870 1.00 0.00 H new ATOM 203 N TYR A 15 5.144 6.411 2.587 1.00 0.00 N ATOM 204 CA TYR A 15 5.563 6.317 1.200 1.00 0.00 C ATOM 205 C TYR A 15 4.967 7.457 0.368 1.00 0.00 C ATOM 206 O TYR A 15 5.594 8.502 0.204 1.00 0.00 O ATOM 207 CB TYR A 15 5.015 4.986 0.683 1.00 0.00 C ATOM 208 CG TYR A 15 5.957 4.256 -0.279 1.00 0.00 C ATOM 209 CD1 TYR A 15 6.979 4.946 -0.899 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.782 2.910 -0.526 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.864 4.260 -1.804 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.667 2.224 -1.430 1.00 0.00 C ATOM 213 CZ TYR A 15 7.664 2.933 -2.025 1.00 0.00 C ATOM 214 OH TYR A 15 8.501 2.284 -2.880 1.00 0.00 O ATOM 0 H TYR A 15 4.428 5.739 2.862 1.00 0.00 H new ATOM 0 HA TYR A 15 6.648 6.381 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.805 4.336 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.066 5.167 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.115 6.000 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.981 2.371 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.668 4.787 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.542 1.170 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 15 9.167 1.780 -2.367 1.00 0.00 H new ATOM 224 N CYS A 16 3.765 7.214 -0.134 1.00 0.00 N ATOM 225 CA CYS A 16 3.079 8.205 -0.944 1.00 0.00 C ATOM 226 C CYS A 16 1.870 8.715 -0.156 1.00 0.00 C ATOM 227 O CYS A 16 1.501 9.883 -0.265 1.00 0.00 O ATOM 228 CB CYS A 16 2.675 7.642 -2.307 1.00 0.00 C ATOM 229 SG CYS A 16 1.431 8.731 -3.091 1.00 0.00 S ATOM 0 H CYS A 16 3.249 6.345 0.005 1.00 0.00 H new ATOM 0 HA CYS A 16 3.753 9.036 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.552 7.557 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.268 6.638 -2.189 1.00 0.00 H new ATOM 0 HG CYS A 16 1.082 9.663 -2.255 1.00 0.00 H new ATOM 235 N GLY A 17 1.286 7.813 0.619 1.00 0.00 N ATOM 236 CA GLY A 17 0.127 8.156 1.424 1.00 0.00 C ATOM 237 C GLY A 17 0.498 9.155 2.524 1.00 0.00 C ATOM 238 O GLY A 17 -0.368 9.620 3.262 1.00 0.00 O ATOM 0 H GLY A 17 1.594 6.845 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.649 8.582 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.288 7.254 1.873 1.00 0.00 H new ATOM 242 N LYS A 18 1.786 9.454 2.595 1.00 0.00 N ATOM 243 CA LYS A 18 2.282 10.389 3.592 1.00 0.00 C ATOM 244 C LYS A 18 1.220 11.456 3.857 1.00 0.00 C ATOM 245 O LYS A 18 1.225 12.095 4.908 1.00 0.00 O ATOM 246 CB LYS A 18 3.634 10.962 3.161 1.00 0.00 C ATOM 247 CG LYS A 18 3.492 11.815 1.899 1.00 0.00 C ATOM 248 CD LYS A 18 4.862 12.151 1.307 1.00 0.00 C ATOM 249 CE LYS A 18 5.203 13.628 1.516 1.00 0.00 C ATOM 250 NZ LYS A 18 6.559 13.769 2.096 1.00 0.00 N ATOM 0 H LYS A 18 2.501 9.066 1.980 1.00 0.00 H new ATOM 0 HA LYS A 18 2.463 9.878 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.050 11.566 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.336 10.148 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.894 11.281 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.959 12.736 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.626 11.528 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.868 11.920 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.151 14.158 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.468 14.087 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.775 14.777 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.597 13.280 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.258 13.349 1.451 1.00 0.00 H new ATOM 334 N LYS A 24 -7.470 7.488 4.302 1.00 0.00 N ATOM 335 CA LYS A 24 -7.344 6.295 3.482 1.00 0.00 C ATOM 336 C LYS A 24 -5.872 5.882 3.414 1.00 0.00 C ATOM 337 O LYS A 24 -5.491 5.068 2.574 1.00 0.00 O ATOM 338 CB LYS A 24 -7.986 6.514 2.112 1.00 0.00 C ATOM 339 CG LYS A 24 -9.131 5.526 1.878 1.00 0.00 C ATOM 340 CD LYS A 24 -10.301 6.204 1.162 1.00 0.00 C ATOM 341 CE LYS A 24 -9.804 7.112 0.037 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.530 6.826 -1.220 1.00 0.00 N ATOM 0 HA LYS A 24 -7.888 5.465 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.362 7.535 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.234 6.396 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.775 4.685 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.469 5.122 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.970 5.447 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.880 6.789 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.945 8.156 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.735 6.964 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.180 7.452 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.374 5.835 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.547 6.990 -1.079 1.00 0.00 H new ATOM 355 N GLU A 25 -5.085 6.464 4.307 1.00 0.00 N ATOM 356 CA GLU A 25 -3.664 6.168 4.356 1.00 0.00 C ATOM 357 C GLU A 25 -3.428 4.804 5.011 1.00 0.00 C ATOM 358 O GLU A 25 -3.273 3.799 4.321 1.00 0.00 O ATOM 359 CB GLU A 25 -2.900 7.269 5.095 1.00 0.00 C ATOM 360 CG GLU A 25 -2.778 8.525 4.230 1.00 0.00 C ATOM 361 CD GLU A 25 -4.098 9.298 4.196 1.00 0.00 C ATOM 362 OE1 GLU A 25 -4.636 9.558 3.110 1.00 0.00 O ATOM 363 OE2 GLU A 25 -4.564 9.630 5.352 1.00 0.00 O ATOM 0 H GLU A 25 -5.405 7.139 5.002 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.285 6.130 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.414 7.512 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.907 6.910 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.988 9.165 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.490 8.246 3.217 1.00 0.00 H new ATOM 371 N ILE A 26 -3.409 4.816 6.337 1.00 0.00 N ATOM 372 CA ILE A 26 -3.195 3.592 7.092 1.00 0.00 C ATOM 373 C ILE A 26 -4.190 2.529 6.624 1.00 0.00 C ATOM 374 O ILE A 26 -3.815 1.379 6.396 1.00 0.00 O ATOM 375 CB ILE A 26 -3.255 3.873 8.595 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.202 4.904 9.003 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.132 2.578 9.400 1.00 0.00 C ATOM 378 CD1 ILE A 26 -0.797 4.302 8.949 1.00 0.00 C ATOM 0 H ILE A 26 -3.538 5.652 6.907 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.196 3.198 6.905 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.230 4.303 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.257 5.768 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.410 5.262 10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.178 2.806 10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.950 1.907 9.137 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.181 2.097 9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.067 5.056 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.738 3.454 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.583 3.967 7.934 1.00 0.00 H new ATOM 390 N GLY A 27 -5.440 2.950 6.495 1.00 0.00 N ATOM 391 CA GLY A 27 -6.492 2.048 6.059 1.00 0.00 C ATOM 392 C GLY A 27 -6.071 1.280 4.804 1.00 0.00 C ATOM 393 O GLY A 27 -6.238 0.063 4.733 1.00 0.00 O ATOM 0 H GLY A 27 -5.748 3.904 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.727 1.345 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.401 2.615 5.855 1.00 0.00 H new ATOM 397 N ALA A 28 -5.534 2.021 3.847 1.00 0.00 N ATOM 398 CA ALA A 28 -5.087 1.425 2.600 1.00 0.00 C ATOM 399 C ALA A 28 -4.102 0.294 2.904 1.00 0.00 C ATOM 400 O ALA A 28 -4.294 -0.837 2.459 1.00 0.00 O ATOM 401 CB ALA A 28 -4.476 2.506 1.707 1.00 0.00 C ATOM 0 H ALA A 28 -5.398 3.030 3.910 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.928 0.993 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.141 2.058 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.225 3.270 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.627 2.961 2.216 1.00 0.00 H new ATOM 407 N MET A 29 -3.070 0.639 3.660 1.00 0.00 N ATOM 408 CA MET A 29 -2.055 -0.334 4.028 1.00 0.00 C ATOM 409 C MET A 29 -2.676 -1.711 4.268 1.00 0.00 C ATOM 410 O MET A 29 -2.133 -2.725 3.833 1.00 0.00 O ATOM 411 CB MET A 29 -1.339 0.131 5.299 1.00 0.00 C ATOM 412 CG MET A 29 -1.077 -1.043 6.241 1.00 0.00 C ATOM 413 SD MET A 29 -2.397 -1.174 7.436 1.00 0.00 S ATOM 414 CE MET A 29 -1.508 -0.756 8.927 1.00 0.00 C ATOM 0 H MET A 29 -2.915 1.578 4.028 1.00 0.00 H new ATOM 0 HA MET A 29 -1.343 -0.416 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.395 0.608 5.035 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.944 0.882 5.807 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.000 -1.968 5.670 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.125 -0.904 6.753 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.184 -0.807 9.780 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.688 -1.460 9.071 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.108 0.254 8.841 1.00 0.00 H new ATOM 424 N LEU A 30 -3.805 -1.703 4.960 1.00 0.00 N ATOM 425 CA LEU A 30 -4.506 -2.939 5.263 1.00 0.00 C ATOM 426 C LEU A 30 -5.535 -3.219 4.165 1.00 0.00 C ATOM 427 O LEU A 30 -5.359 -4.137 3.365 1.00 0.00 O ATOM 428 CB LEU A 30 -5.108 -2.883 6.669 1.00 0.00 C ATOM 429 CG LEU A 30 -4.594 -3.930 7.659 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.018 -3.264 8.911 1.00 0.00 C ATOM 431 CD2 LEU A 30 -5.687 -4.945 8.002 1.00 0.00 C ATOM 0 H LEU A 30 -4.252 -0.860 5.320 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.811 -3.779 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.918 -1.894 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.189 -2.991 6.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.782 -4.480 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.660 -4.030 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.190 -2.614 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.794 -2.673 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.295 -5.678 8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.536 -4.428 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.010 -5.453 7.093 1.00 0.00 H new ATOM 443 N SER A 31 -6.585 -2.413 4.162 1.00 0.00 N ATOM 444 CA SER A 31 -7.642 -2.562 3.176 1.00 0.00 C ATOM 445 C SER A 31 -7.039 -2.647 1.772 1.00 0.00 C ATOM 446 O SER A 31 -7.558 -3.356 0.912 1.00 0.00 O ATOM 447 CB SER A 31 -8.639 -1.403 3.257 1.00 0.00 C ATOM 448 OG SER A 31 -9.962 -1.855 3.528 1.00 0.00 O ATOM 0 H SER A 31 -6.727 -1.653 4.827 1.00 0.00 H new ATOM 0 HA SER A 31 -8.182 -3.485 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.326 -0.709 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.630 -0.851 2.317 1.00 0.00 H new ATOM 0 HG SER A 31 -10.568 -1.086 3.574 1.00 0.00 H new ATOM 454 N LEU A 32 -5.951 -1.914 1.585 1.00 0.00 N ATOM 455 CA LEU A 32 -5.272 -1.897 0.300 1.00 0.00 C ATOM 456 C LEU A 32 -4.606 -3.253 0.063 1.00 0.00 C ATOM 457 O LEU A 32 -5.014 -4.004 -0.822 1.00 0.00 O ATOM 458 CB LEU A 32 -4.306 -0.715 0.219 1.00 0.00 C ATOM 459 CG LEU A 32 -4.093 -0.115 -1.172 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.530 -1.094 -2.263 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.797 1.238 -1.299 1.00 0.00 C ATOM 0 H LEU A 32 -5.523 -1.328 2.302 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.989 -1.747 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.670 0.072 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.339 -1.035 0.607 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.026 0.064 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.368 -0.643 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.946 -2.011 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.588 -1.326 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.630 1.643 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.867 1.108 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.397 1.928 -0.556 1.00 0.00 H new ATOM 473 N LEU A 33 -3.592 -3.528 0.870 1.00 0.00 N ATOM 474 CA LEU A 33 -2.865 -4.781 0.760 1.00 0.00 C ATOM 475 C LEU A 33 -3.750 -5.925 1.257 1.00 0.00 C ATOM 476 O LEU A 33 -3.898 -6.941 0.580 1.00 0.00 O ATOM 477 CB LEU A 33 -1.520 -4.686 1.484 1.00 0.00 C ATOM 478 CG LEU A 33 -0.458 -3.812 0.813 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.317 -4.605 -0.241 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.080 -2.541 0.232 1.00 0.00 C ATOM 0 H LEU A 33 -3.256 -2.904 1.604 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.626 -4.992 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.697 -4.302 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.117 -5.693 1.594 1.00 0.00 H new ATOM 0 HG LEU A 33 0.258 -3.500 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.066 -3.961 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.811 -5.454 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.372 -4.966 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.303 -1.938 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.831 -2.810 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.550 -1.968 1.031 1.00 0.00 H new ATOM 492 N GLN A 34 -4.319 -5.722 2.437 1.00 0.00 N ATOM 493 CA GLN A 34 -5.187 -6.724 3.032 1.00 0.00 C ATOM 494 C GLN A 34 -6.451 -6.900 2.189 1.00 0.00 C ATOM 495 O GLN A 34 -7.325 -7.694 2.532 1.00 0.00 O ATOM 496 CB GLN A 34 -5.537 -6.358 4.475 1.00 0.00 C ATOM 497 CG GLN A 34 -5.182 -7.498 5.432 1.00 0.00 C ATOM 498 CD GLN A 34 -4.092 -7.069 6.417 1.00 0.00 C ATOM 499 OE1 GLN A 34 -3.136 -6.397 6.069 1.00 0.00 O ATOM 500 NE2 GLN A 34 -4.290 -7.494 7.661 1.00 0.00 N ATOM 0 H GLN A 34 -4.196 -4.878 2.997 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.653 -7.674 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.000 -5.455 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.601 -6.134 4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.072 -7.807 5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.842 -8.363 4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.113 -8.054 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.619 -7.260 8.393 1.00 0.00 H new ATOM 509 N LYS A 35 -6.508 -6.147 1.101 1.00 0.00 N ATOM 510 CA LYS A 35 -7.650 -6.208 0.205 1.00 0.00 C ATOM 511 C LYS A 35 -7.158 -6.204 -1.244 1.00 0.00 C ATOM 512 O LYS A 35 -7.876 -5.773 -2.145 1.00 0.00 O ATOM 513 CB LYS A 35 -8.641 -5.087 0.522 1.00 0.00 C ATOM 514 CG LYS A 35 -10.079 -5.611 0.527 1.00 0.00 C ATOM 515 CD LYS A 35 -10.455 -6.167 1.903 1.00 0.00 C ATOM 516 CE LYS A 35 -11.880 -6.721 1.899 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.692 -6.069 2.951 1.00 0.00 N ATOM 0 H LYS A 35 -5.780 -5.490 0.819 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.200 -7.138 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.405 -4.652 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.543 -4.291 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.764 -4.807 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.188 -6.391 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.756 -6.954 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.369 -5.381 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.338 -6.557 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.858 -7.798 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.657 -6.457 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.263 -6.247 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.728 -5.044 2.777 1.00 0.00 H new ATOM 530 N GLU A 36 -5.939 -6.690 -1.423 1.00 0.00 N ATOM 531 CA GLU A 36 -5.343 -6.747 -2.747 1.00 0.00 C ATOM 532 C GLU A 36 -4.560 -8.049 -2.920 1.00 0.00 C ATOM 533 O GLU A 36 -3.874 -8.237 -3.924 1.00 0.00 O ATOM 534 CB GLU A 36 -4.448 -5.531 -2.998 1.00 0.00 C ATOM 535 CG GLU A 36 -5.255 -4.365 -3.570 1.00 0.00 C ATOM 536 CD GLU A 36 -6.490 -4.868 -4.320 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.375 -5.760 -5.175 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.600 -4.301 -3.988 1.00 0.00 O ATOM 0 H GLU A 36 -5.347 -7.048 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.144 -6.726 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.973 -5.226 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.650 -5.799 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.561 -3.700 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.629 -3.781 -4.244 1.00 0.00 H new ATOM 546 N GLY A 37 -4.688 -8.917 -1.928 1.00 0.00 N ATOM 547 CA GLY A 37 -4.001 -10.197 -1.957 1.00 0.00 C ATOM 548 C GLY A 37 -2.905 -10.256 -0.892 1.00 0.00 C ATOM 549 O GLY A 37 -1.968 -11.048 -1.002 1.00 0.00 O ATOM 0 H GLY A 37 -5.258 -8.759 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.717 -11.002 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.564 -10.357 -2.943 1.00 0.00 H new ATOM 553 N LEU A 38 -3.056 -9.409 0.116 1.00 0.00 N ATOM 554 CA LEU A 38 -2.091 -9.354 1.200 1.00 0.00 C ATOM 555 C LEU A 38 -2.808 -9.599 2.529 1.00 0.00 C ATOM 556 O LEU A 38 -2.499 -8.958 3.532 1.00 0.00 O ATOM 557 CB LEU A 38 -1.308 -8.040 1.156 1.00 0.00 C ATOM 558 CG LEU A 38 -0.616 -7.716 -0.170 1.00 0.00 C ATOM 559 CD1 LEU A 38 0.170 -8.922 -0.687 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.622 -7.201 -1.202 1.00 0.00 C ATOM 0 H LEU A 38 -3.833 -8.755 0.204 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.348 -10.144 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.991 -7.225 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.552 -8.064 1.941 1.00 0.00 H new ATOM 0 HG LEU A 38 0.102 -6.915 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.652 -8.665 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.929 -9.202 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.510 -9.760 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.104 -6.978 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.381 -7.962 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.098 -6.295 -0.826 1.00 0.00 H new ATOM 572 N LEU A 39 -3.754 -10.527 2.492 1.00 0.00 N ATOM 573 CA LEU A 39 -4.518 -10.863 3.683 1.00 0.00 C ATOM 574 C LEU A 39 -4.088 -12.243 4.186 1.00 0.00 C ATOM 575 O LEU A 39 -4.669 -12.771 5.132 1.00 0.00 O ATOM 576 CB LEU A 39 -6.018 -10.749 3.404 1.00 0.00 C ATOM 577 CG LEU A 39 -6.842 -10.022 4.467 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.334 -10.319 4.303 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.344 -10.357 5.874 1.00 0.00 C ATOM 0 H LEU A 39 -4.009 -11.056 1.658 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.311 -10.153 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.153 -10.234 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.423 -11.754 3.283 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.709 -8.950 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.897 -9.790 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.665 -9.988 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.505 -11.391 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.948 -9.826 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.427 -11.431 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.302 -10.053 5.973 1.00 0.00 H new ATOM 591 N MET A 40 -3.075 -12.788 3.530 1.00 0.00 N ATOM 592 CA MET A 40 -2.560 -14.096 3.897 1.00 0.00 C ATOM 593 C MET A 40 -1.247 -13.971 4.672 1.00 0.00 C ATOM 594 O MET A 40 -0.552 -14.962 4.889 1.00 0.00 O ATOM 595 CB MET A 40 -2.332 -14.929 2.636 1.00 0.00 C ATOM 596 CG MET A 40 -2.192 -16.414 2.977 1.00 0.00 C ATOM 597 SD MET A 40 -3.279 -17.384 1.945 1.00 0.00 S ATOM 598 CE MET A 40 -4.756 -17.368 2.948 1.00 0.00 C ATOM 0 H MET A 40 -2.596 -12.347 2.745 1.00 0.00 H new ATOM 0 HA MET A 40 -3.293 -14.586 4.538 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.165 -14.787 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.433 -14.583 2.125 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.160 -16.733 2.832 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.432 -16.578 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.542 -17.933 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.543 -17.822 3.916 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.086 -16.339 3.094 1.00 0.00 H new ATOM 608 N SER A 41 -0.944 -12.743 5.067 1.00 0.00 N ATOM 609 CA SER A 41 0.274 -12.474 5.812 1.00 0.00 C ATOM 610 C SER A 41 0.947 -11.209 5.277 1.00 0.00 C ATOM 611 O SER A 41 1.333 -11.151 4.111 1.00 0.00 O ATOM 612 CB SER A 41 1.238 -13.660 5.736 1.00 0.00 C ATOM 613 OG SER A 41 2.518 -13.343 6.273 1.00 0.00 O ATOM 0 H SER A 41 -1.522 -11.922 4.885 1.00 0.00 H new ATOM 0 HA SER A 41 0.008 -12.321 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.816 -14.505 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.348 -13.972 4.697 1.00 0.00 H new ATOM 0 HG SER A 41 3.135 -13.128 5.543 1.00 0.00 H new ATOM 619 N PRO A 42 1.070 -10.199 6.180 1.00 0.00 N ATOM 620 CA PRO A 42 1.689 -8.936 5.811 1.00 0.00 C ATOM 621 C PRO A 42 3.210 -9.080 5.711 1.00 0.00 C ATOM 622 O PRO A 42 3.906 -8.126 5.369 1.00 0.00 O ATOM 623 CB PRO A 42 1.255 -7.955 6.886 1.00 0.00 C ATOM 624 CG PRO A 42 0.795 -8.803 8.063 1.00 0.00 C ATOM 625 CD PRO A 42 0.626 -10.230 7.569 1.00 0.00 C ATOM 0 HA PRO A 42 1.379 -8.588 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.078 -7.301 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.449 -7.314 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.525 -8.763 8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.145 -8.423 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.222 -10.926 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.412 -10.555 7.645 1.00 0.00 H new ATOM 633 N SER A 43 3.679 -10.281 6.017 1.00 0.00 N ATOM 634 CA SER A 43 5.104 -10.562 5.967 1.00 0.00 C ATOM 635 C SER A 43 5.598 -10.505 4.520 1.00 0.00 C ATOM 636 O SER A 43 6.802 -10.448 4.272 1.00 0.00 O ATOM 637 CB SER A 43 5.419 -11.928 6.581 1.00 0.00 C ATOM 638 OG SER A 43 6.384 -11.834 7.625 1.00 0.00 O ATOM 0 H SER A 43 3.098 -11.070 6.300 1.00 0.00 H new ATOM 0 HA SER A 43 5.622 -9.803 6.552 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.503 -12.369 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.789 -12.598 5.805 1.00 0.00 H new ATOM 0 HG SER A 43 7.212 -12.279 7.347 1.00 0.00 H new ATOM 644 N ASP A 44 4.642 -10.521 3.600 1.00 0.00 N ATOM 645 CA ASP A 44 4.965 -10.472 2.185 1.00 0.00 C ATOM 646 C ASP A 44 6.161 -9.542 1.970 1.00 0.00 C ATOM 647 O ASP A 44 6.932 -9.724 1.029 1.00 0.00 O ATOM 648 CB ASP A 44 3.791 -9.928 1.370 1.00 0.00 C ATOM 649 CG ASP A 44 3.889 -10.156 -0.138 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.619 -9.249 -0.941 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.265 -11.340 -0.488 1.00 0.00 O ATOM 0 H ASP A 44 3.645 -10.567 3.809 1.00 0.00 H new ATOM 0 HA ASP A 44 5.192 -11.486 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.872 -10.389 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.705 -8.857 1.555 1.00 0.00 H new ATOM 657 N LEU A 45 6.277 -8.566 2.859 1.00 0.00 N ATOM 658 CA LEU A 45 7.366 -7.606 2.779 1.00 0.00 C ATOM 659 C LEU A 45 8.700 -8.343 2.905 1.00 0.00 C ATOM 660 O LEU A 45 9.695 -7.940 2.306 1.00 0.00 O ATOM 661 CB LEU A 45 7.177 -6.495 3.813 1.00 0.00 C ATOM 662 CG LEU A 45 8.458 -5.921 4.422 1.00 0.00 C ATOM 663 CD1 LEU A 45 8.179 -4.600 5.141 1.00 0.00 C ATOM 664 CD2 LEU A 45 9.134 -6.941 5.341 1.00 0.00 C ATOM 0 H LEU A 45 5.635 -8.419 3.638 1.00 0.00 H new ATOM 0 HA LEU A 45 7.366 -7.110 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.624 -5.681 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.555 -6.880 4.621 1.00 0.00 H new ATOM 0 HG LEU A 45 9.154 -5.706 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.106 -4.214 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.775 -3.878 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.456 -4.766 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.042 -6.507 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.454 -7.210 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.389 -7.833 4.769 1.00 0.00 H new ATOM 676 N TYR A 46 8.677 -9.413 3.688 1.00 0.00 N ATOM 677 CA TYR A 46 9.873 -10.210 3.900 1.00 0.00 C ATOM 678 C TYR A 46 10.458 -10.687 2.570 1.00 0.00 C ATOM 679 O TYR A 46 11.581 -11.187 2.524 1.00 0.00 O ATOM 680 CB TYR A 46 9.428 -11.427 4.714 1.00 0.00 C ATOM 681 CG TYR A 46 9.337 -11.170 6.219 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.734 -9.954 6.737 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.857 -12.154 7.060 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.649 -9.712 8.154 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.771 -11.912 8.476 1.00 0.00 C ATOM 686 CZ TYR A 46 9.170 -10.702 8.955 1.00 0.00 C ATOM 687 OH TYR A 46 9.088 -10.474 10.292 1.00 0.00 O ATOM 0 H TYR A 46 7.849 -9.746 4.183 1.00 0.00 H new ATOM 0 HA TYR A 46 10.640 -9.624 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.454 -11.756 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.127 -12.245 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.109 -9.184 6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.546 -13.106 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.959 -8.765 8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.398 -12.674 9.144 1.00 0.00 H new ATOM 0 HH TYR A 46 8.727 -11.269 10.738 1.00 0.00 H new ATOM 697 N SER A 47 9.669 -10.515 1.519 1.00 0.00 N ATOM 698 CA SER A 47 10.095 -10.922 0.190 1.00 0.00 C ATOM 699 C SER A 47 10.133 -9.709 -0.742 1.00 0.00 C ATOM 700 O SER A 47 9.349 -8.775 -0.583 1.00 0.00 O ATOM 701 CB SER A 47 9.169 -12.000 -0.379 1.00 0.00 C ATOM 702 OG SER A 47 9.450 -12.276 -1.749 1.00 0.00 O ATOM 0 H SER A 47 8.738 -10.100 1.561 1.00 0.00 H new ATOM 0 HA SER A 47 11.097 -11.345 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.276 -12.915 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.133 -11.677 -0.279 1.00 0.00 H new ATOM 0 HG SER A 47 8.839 -12.970 -2.075 1.00 0.00 H new ATOM 708 N PRO A 48 11.078 -9.764 -1.718 1.00 0.00 N ATOM 709 CA PRO A 48 11.229 -8.681 -2.675 1.00 0.00 C ATOM 710 C PRO A 48 10.106 -8.706 -3.713 1.00 0.00 C ATOM 711 O PRO A 48 10.019 -9.632 -4.518 1.00 0.00 O ATOM 712 CB PRO A 48 12.607 -8.885 -3.285 1.00 0.00 C ATOM 713 CG PRO A 48 12.983 -10.329 -2.992 1.00 0.00 C ATOM 714 CD PRO A 48 12.024 -10.855 -1.937 1.00 0.00 C ATOM 0 HA PRO A 48 11.154 -7.697 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.591 -8.696 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.332 -8.197 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.921 -10.931 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.012 -10.391 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.516 -11.757 -2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.550 -11.114 -1.018 1.00 0.00 H new ATOM 722 N GLY A 49 9.273 -7.677 -3.660 1.00 0.00 N ATOM 723 CA GLY A 49 8.157 -7.570 -4.586 1.00 0.00 C ATOM 724 C GLY A 49 6.821 -7.727 -3.857 1.00 0.00 C ATOM 725 O GLY A 49 6.082 -8.678 -4.106 1.00 0.00 O ATOM 0 H GLY A 49 9.348 -6.910 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.189 -6.604 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.246 -8.334 -5.358 1.00 0.00 H new ATOM 729 N SER A 50 6.553 -6.782 -2.969 1.00 0.00 N ATOM 730 CA SER A 50 5.320 -6.802 -2.202 1.00 0.00 C ATOM 731 C SER A 50 4.393 -5.678 -2.668 1.00 0.00 C ATOM 732 O SER A 50 3.200 -5.686 -2.366 1.00 0.00 O ATOM 733 CB SER A 50 5.601 -6.672 -0.703 1.00 0.00 C ATOM 734 OG SER A 50 5.322 -7.881 -0.001 1.00 0.00 O ATOM 0 H SER A 50 7.170 -5.996 -2.763 1.00 0.00 H new ATOM 0 HA SER A 50 4.829 -7.761 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.645 -6.398 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.997 -5.865 -0.289 1.00 0.00 H new ATOM 0 HG SER A 50 6.092 -8.484 -0.069 1.00 0.00 H new ATOM 740 N TRP A 51 4.977 -4.738 -3.395 1.00 0.00 N ATOM 741 CA TRP A 51 4.218 -3.608 -3.906 1.00 0.00 C ATOM 742 C TRP A 51 3.816 -3.922 -5.348 1.00 0.00 C ATOM 743 O TRP A 51 2.925 -3.280 -5.902 1.00 0.00 O ATOM 744 CB TRP A 51 5.015 -2.309 -3.776 1.00 0.00 C ATOM 745 CG TRP A 51 5.088 -1.762 -2.350 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.037 -1.979 -1.429 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.128 -0.893 -1.713 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.762 -1.317 -0.251 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.564 -0.635 -0.428 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.931 -0.343 -2.204 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.862 0.179 0.470 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.243 0.469 -1.293 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.668 0.738 0.002 1.00 0.00 C ATOM 0 H TRP A 51 5.966 -4.735 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 51 3.313 -3.454 -3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.028 -2.479 -4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.566 -1.554 -4.421 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.909 -2.596 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.333 -1.326 0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.570 -0.532 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.223 0.365 1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.317 0.918 -1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.079 1.376 0.645 1.00 0.00 H new ATOM 764 N ASP A 52 4.493 -4.910 -5.917 1.00 0.00 N ATOM 765 CA ASP A 52 4.218 -5.316 -7.284 1.00 0.00 C ATOM 766 C ASP A 52 2.987 -6.223 -7.303 1.00 0.00 C ATOM 767 O ASP A 52 2.266 -6.277 -8.298 1.00 0.00 O ATOM 768 CB ASP A 52 5.394 -6.100 -7.873 1.00 0.00 C ATOM 769 CG ASP A 52 5.928 -5.561 -9.201 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.256 -6.332 -10.116 1.00 0.00 O ATOM 771 OD2 ASP A 52 6.004 -4.276 -9.279 1.00 0.00 O ATOM 0 H ASP A 52 5.231 -5.441 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 52 4.052 -4.417 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.207 -6.106 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.086 -7.136 -8.016 1.00 0.00 H new ATOM 777 N PRO A 53 2.778 -6.935 -6.163 1.00 0.00 N ATOM 778 CA PRO A 53 1.648 -7.839 -6.040 1.00 0.00 C ATOM 779 C PRO A 53 0.346 -7.062 -5.835 1.00 0.00 C ATOM 780 O PRO A 53 -0.708 -7.471 -6.318 1.00 0.00 O ATOM 781 CB PRO A 53 1.991 -8.741 -4.867 1.00 0.00 C ATOM 782 CG PRO A 53 3.078 -8.017 -4.087 1.00 0.00 C ATOM 783 CD PRO A 53 3.612 -6.897 -4.964 1.00 0.00 C ATOM 0 HA PRO A 53 1.480 -8.428 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.116 -8.919 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.340 -9.714 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.677 -7.615 -3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.878 -8.706 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.540 -5.932 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.663 -7.052 -5.208 1.00 0.00 H new ATOM 791 N ILE A 54 0.461 -5.953 -5.117 1.00 0.00 N ATOM 792 CA ILE A 54 -0.693 -5.115 -4.842 1.00 0.00 C ATOM 793 C ILE A 54 -1.082 -4.358 -6.113 1.00 0.00 C ATOM 794 O ILE A 54 -2.226 -3.930 -6.259 1.00 0.00 O ATOM 795 CB ILE A 54 -0.421 -4.205 -3.643 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.662 -4.078 -2.758 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.098 -2.839 -4.098 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.033 -2.611 -2.538 1.00 0.00 C ATOM 0 H ILE A 54 1.337 -5.616 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.550 -5.727 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 54 0.361 -4.663 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.498 -4.602 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.478 -4.558 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.283 -2.211 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.026 -2.969 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.645 -2.362 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.919 -2.551 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.205 -2.095 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.241 -2.140 -3.499 1.00 0.00 H new ATOM 810 N THR A 55 -0.109 -4.216 -7.001 1.00 0.00 N ATOM 811 CA THR A 55 -0.336 -3.518 -8.255 1.00 0.00 C ATOM 812 C THR A 55 -1.343 -4.282 -9.116 1.00 0.00 C ATOM 813 O THR A 55 -2.405 -3.759 -9.448 1.00 0.00 O ATOM 814 CB THR A 55 1.019 -3.318 -8.936 1.00 0.00 C ATOM 815 OG1 THR A 55 1.308 -1.937 -8.738 1.00 0.00 O ATOM 816 CG2 THR A 55 0.936 -3.467 -10.457 1.00 0.00 C ATOM 0 H THR A 55 0.839 -4.573 -6.877 1.00 0.00 H new ATOM 0 HA THR A 55 -0.779 -2.536 -8.087 1.00 0.00 H new ATOM 0 HB THR A 55 1.735 -4.038 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.261 -1.467 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.924 -3.316 -10.892 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.579 -4.466 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.246 -2.725 -10.858 1.00 0.00 H new ATOM 824 N ALA A 56 -0.974 -5.509 -9.454 1.00 0.00 N ATOM 825 CA ALA A 56 -1.831 -6.351 -10.271 1.00 0.00 C ATOM 826 C ALA A 56 -3.009 -6.842 -9.427 1.00 0.00 C ATOM 827 O ALA A 56 -3.973 -7.391 -9.959 1.00 0.00 O ATOM 828 CB ALA A 56 -1.011 -7.504 -10.852 1.00 0.00 C ATOM 0 H ALA A 56 -0.092 -5.940 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.238 -5.785 -11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.654 -8.135 -11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.204 -7.104 -11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.589 -8.096 -10.040 1.00 0.00 H new ATOM 834 N ALA A 57 -2.893 -6.627 -8.123 1.00 0.00 N ATOM 835 CA ALA A 57 -3.937 -7.040 -7.201 1.00 0.00 C ATOM 836 C ALA A 57 -5.238 -6.316 -7.552 1.00 0.00 C ATOM 837 O ALA A 57 -6.122 -6.889 -8.185 1.00 0.00 O ATOM 838 CB ALA A 57 -3.485 -6.769 -5.765 1.00 0.00 C ATOM 0 H ALA A 57 -2.092 -6.172 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.124 -8.110 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.268 -7.079 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.574 -7.331 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.290 -5.704 -5.640 1.00 0.00 H new ATOM 844 N LEU A 58 -5.314 -5.065 -7.122 1.00 0.00 N ATOM 845 CA LEU A 58 -6.493 -4.255 -7.382 1.00 0.00 C ATOM 846 C LEU A 58 -6.799 -4.275 -8.881 1.00 0.00 C ATOM 847 O LEU A 58 -7.957 -4.384 -9.280 1.00 0.00 O ATOM 848 CB LEU A 58 -6.312 -2.848 -6.810 1.00 0.00 C ATOM 849 CG LEU A 58 -5.286 -1.962 -7.518 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.896 -2.601 -7.487 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.735 -1.634 -8.942 1.00 0.00 C ATOM 0 H LEU A 58 -4.579 -4.592 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.362 -4.672 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.277 -2.341 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.024 -2.938 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.218 -1.018 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.185 -1.951 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.583 -2.740 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.929 -3.568 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.988 -1.003 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.849 -2.558 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.689 -1.107 -8.911 1.00 0.00 H new ATOM 863 N SER A 59 -5.740 -4.166 -9.671 1.00 0.00 N ATOM 864 CA SER A 59 -5.881 -4.170 -11.116 1.00 0.00 C ATOM 865 C SER A 59 -6.676 -5.399 -11.561 1.00 0.00 C ATOM 866 O SER A 59 -7.462 -5.326 -12.505 1.00 0.00 O ATOM 867 CB SER A 59 -4.515 -4.145 -11.804 1.00 0.00 C ATOM 868 OG SER A 59 -4.605 -3.711 -13.157 1.00 0.00 O ATOM 0 H SER A 59 -4.781 -4.074 -9.336 1.00 0.00 H new ATOM 0 HA SER A 59 -6.421 -3.270 -11.408 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.845 -3.483 -11.255 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.075 -5.142 -11.772 1.00 0.00 H new ATOM 0 HG SER A 59 -3.712 -3.708 -13.560 1.00 0.00 H new ATOM 874 N GLN A 60 -6.443 -6.501 -10.862 1.00 0.00 N ATOM 875 CA GLN A 60 -7.128 -7.743 -11.173 1.00 0.00 C ATOM 876 C GLN A 60 -8.588 -7.672 -10.720 1.00 0.00 C ATOM 877 O GLN A 60 -9.432 -8.417 -11.217 1.00 0.00 O ATOM 878 CB GLN A 60 -6.415 -8.937 -10.536 1.00 0.00 C ATOM 879 CG GLN A 60 -7.393 -10.080 -10.262 1.00 0.00 C ATOM 880 CD GLN A 60 -7.986 -10.617 -11.566 1.00 0.00 C ATOM 881 OE1 GLN A 60 -9.189 -10.738 -11.728 1.00 0.00 O ATOM 882 NE2 GLN A 60 -7.077 -10.932 -12.486 1.00 0.00 N ATOM 0 H GLN A 60 -5.789 -6.559 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.109 -7.884 -12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.620 -9.285 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.942 -8.627 -9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.880 -10.883 -9.733 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.194 -9.730 -9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.085 -10.806 -12.286 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.373 -11.299 -13.391 1.00 0.00 H new ATOM 891 N ARG A 61 -8.840 -6.772 -9.783 1.00 0.00 N ATOM 892 CA ARG A 61 -10.184 -6.593 -9.258 1.00 0.00 C ATOM 893 C ARG A 61 -10.272 -5.296 -8.451 1.00 0.00 C ATOM 894 O ARG A 61 -10.393 -5.330 -7.227 1.00 0.00 O ATOM 895 CB ARG A 61 -10.587 -7.769 -8.366 1.00 0.00 C ATOM 896 CG ARG A 61 -9.452 -8.149 -7.413 1.00 0.00 C ATOM 897 CD ARG A 61 -9.997 -8.817 -6.149 1.00 0.00 C ATOM 898 NE ARG A 61 -9.127 -9.950 -5.760 1.00 0.00 N ATOM 899 CZ ARG A 61 -9.089 -10.484 -4.521 1.00 0.00 C ATOM 900 NH1 ARG A 61 -9.874 -9.994 -3.539 1.00 0.00 N ATOM 901 NH2 ARG A 61 -8.274 -11.495 -4.285 1.00 0.00 N ATOM 0 H ARG A 61 -8.137 -6.158 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.867 -6.543 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.476 -7.507 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.849 -8.627 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.761 -8.825 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.886 -7.258 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.048 -8.091 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.013 -9.171 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.518 -10.352 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.503 -9.214 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.839 -10.404 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.685 -11.861 -5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.233 -11.910 -3.354 1.00 0.00 H new ATOM 913 N ALA A 62 -10.208 -4.185 -9.169 1.00 0.00 N ATOM 914 CA ALA A 62 -10.277 -2.880 -8.534 1.00 0.00 C ATOM 915 C ALA A 62 -11.649 -2.711 -7.875 1.00 0.00 C ATOM 916 O ALA A 62 -11.858 -1.779 -7.100 1.00 0.00 O ATOM 917 CB ALA A 62 -9.991 -1.792 -9.572 1.00 0.00 C ATOM 0 H ALA A 62 -10.109 -4.161 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.522 -2.792 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.043 -0.813 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.995 -1.940 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.731 -1.847 -10.370 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.482 3.608 -7.693 1.00 0.00 N ATOM 1041 CA LEU A 71 -8.124 3.125 -7.502 1.00 0.00 C ATOM 1042 C LEU A 71 -7.240 4.278 -7.025 1.00 0.00 C ATOM 1043 O LEU A 71 -6.022 4.239 -7.184 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.614 2.444 -8.774 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.994 0.973 -8.945 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.403 0.400 -10.235 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.588 0.154 -7.717 1.00 0.00 C ATOM 0 HA LEU A 71 -8.097 2.360 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.989 2.998 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.527 2.523 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.079 0.909 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.688 -0.647 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.783 0.960 -11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.316 0.478 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.870 -0.888 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.509 0.221 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.095 0.545 -6.835 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.889 5.281 -6.450 1.00 0.00 N ATOM 1060 CA LYS A 72 -7.178 6.444 -5.948 1.00 0.00 C ATOM 1061 C LYS A 72 -6.282 6.023 -4.781 1.00 0.00 C ATOM 1062 O LYS A 72 -5.123 6.432 -4.705 1.00 0.00 O ATOM 1063 CB LYS A 72 -8.159 7.563 -5.598 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.449 8.917 -5.537 1.00 0.00 C ATOM 1065 CD LYS A 72 -7.190 9.462 -6.942 1.00 0.00 C ATOM 1066 CE LYS A 72 -5.687 9.553 -7.226 1.00 0.00 C ATOM 1067 NZ LYS A 72 -5.442 10.271 -8.496 1.00 0.00 N ATOM 0 H LYS A 72 -8.900 5.311 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.526 6.854 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.955 7.599 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.629 7.352 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.057 9.626 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.504 8.813 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.665 8.816 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.643 10.448 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.187 10.070 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.260 8.552 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.419 10.324 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.903 9.762 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.832 11.233 -8.432 1.00 0.00 H new ATOM 1080 N THR A 73 -6.851 5.214 -3.901 1.00 0.00 N ATOM 1081 CA THR A 73 -6.119 4.733 -2.741 1.00 0.00 C ATOM 1082 C THR A 73 -4.897 3.923 -3.181 1.00 0.00 C ATOM 1083 O THR A 73 -3.799 4.117 -2.660 1.00 0.00 O ATOM 1084 CB THR A 73 -7.089 3.942 -1.864 1.00 0.00 C ATOM 1085 OG1 THR A 73 -8.375 4.424 -2.245 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.976 4.316 -0.384 1.00 0.00 C ATOM 0 H THR A 73 -7.812 4.878 -3.967 1.00 0.00 H new ATOM 0 HA THR A 73 -5.726 5.560 -2.150 1.00 0.00 H new ATOM 0 HB THR A 73 -6.901 2.875 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.816 3.762 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.686 3.726 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.964 4.113 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.197 5.376 -0.259 1.00 0.00 H new ATOM 1094 N TRP A 74 -5.128 3.033 -4.135 1.00 0.00 N ATOM 1095 CA TRP A 74 -4.061 2.193 -4.649 1.00 0.00 C ATOM 1096 C TRP A 74 -2.972 3.105 -5.216 1.00 0.00 C ATOM 1097 O TRP A 74 -1.783 2.820 -5.078 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.599 1.193 -5.675 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.509 0.387 -6.388 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.711 -0.556 -5.872 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -3.129 0.494 -7.776 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.847 -1.063 -6.821 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.110 -0.404 -8.016 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.632 1.323 -8.796 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.506 -0.562 -9.270 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -3.017 1.155 -10.042 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.990 0.254 -10.301 1.00 0.00 C ATOM 0 H TRP A 74 -6.039 2.876 -4.565 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.627 1.589 -3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.278 0.503 -5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.185 1.732 -6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.740 -0.879 -4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.145 -1.788 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.429 2.032 -8.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.711 -1.274 -9.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.365 1.768 -10.860 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.567 0.184 -11.292 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.417 4.185 -5.843 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.495 5.142 -6.432 1.00 0.00 C ATOM 1120 C GLY A 75 -1.417 5.553 -5.427 1.00 0.00 C ATOM 1121 O GLY A 75 -0.231 5.565 -5.753 1.00 0.00 O ATOM 0 H GLY A 75 -4.404 4.418 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.027 4.706 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.043 6.024 -6.764 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.868 5.881 -4.226 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.956 6.292 -3.171 1.00 0.00 C ATOM 1127 C LEU A 76 -0.047 5.118 -2.801 1.00 0.00 C ATOM 1128 O LEU A 76 1.176 5.228 -2.878 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.733 6.865 -1.983 1.00 0.00 C ATOM 1130 CG LEU A 76 -1.910 8.384 -1.968 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -2.188 8.918 -3.374 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -2.994 8.799 -0.971 1.00 0.00 C ATOM 0 H LEU A 76 -2.852 5.871 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.311 7.098 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.720 6.404 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.225 6.569 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.975 8.834 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.310 10.000 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.353 8.670 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.100 8.464 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.100 9.884 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.942 8.339 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.713 8.470 0.030 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.679 4.021 -2.410 1.00 0.00 N ATOM 1145 CA VAL A 77 0.058 2.829 -2.028 1.00 0.00 C ATOM 1146 C VAL A 77 1.062 2.482 -3.130 1.00 0.00 C ATOM 1147 O VAL A 77 2.262 2.392 -2.875 1.00 0.00 O ATOM 1148 CB VAL A 77 -0.915 1.687 -1.726 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -0.923 1.354 -0.233 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -2.324 2.023 -2.220 1.00 0.00 C ATOM 0 H VAL A 77 -1.693 3.933 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 77 0.625 3.006 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.572 0.803 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.623 0.539 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.077 1.052 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.229 2.233 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.996 1.195 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.679 2.925 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.302 2.188 -3.297 1.00 0.00 H new ATOM 1160 N LEU A 78 0.535 2.297 -4.330 1.00 0.00 N ATOM 1161 CA LEU A 78 1.371 1.961 -5.471 1.00 0.00 C ATOM 1162 C LEU A 78 2.254 3.162 -5.820 1.00 0.00 C ATOM 1163 O LEU A 78 3.478 3.068 -5.781 1.00 0.00 O ATOM 1164 CB LEU A 78 0.513 1.469 -6.637 1.00 0.00 C ATOM 1165 CG LEU A 78 0.932 0.137 -7.262 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.299 0.254 -7.939 1.00 0.00 C ATOM 1167 CD2 LEU A 78 0.899 -0.989 -6.227 1.00 0.00 C ATOM 0 H LEU A 78 -0.461 2.373 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 78 2.038 1.134 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.517 1.378 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.521 2.232 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 78 0.210 -0.118 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.573 -0.707 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.253 1.009 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.047 0.544 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.201 -1.925 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.584 -0.755 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.112 -1.091 -5.833 1.00 0.00 H new ATOM 1179 N GLY A 79 1.595 4.262 -6.157 1.00 0.00 N ATOM 1180 CA GLY A 79 2.305 5.478 -6.514 1.00 0.00 C ATOM 1181 C GLY A 79 3.563 5.650 -5.660 1.00 0.00 C ATOM 1182 O GLY A 79 4.541 6.249 -6.104 1.00 0.00 O ATOM 0 H GLY A 79 0.578 4.336 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.579 5.447 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.650 6.339 -6.380 1.00 0.00 H new ATOM 1186 N ALA A 80 3.495 5.114 -4.451 1.00 0.00 N ATOM 1187 CA ALA A 80 4.618 5.200 -3.530 1.00 0.00 C ATOM 1188 C ALA A 80 5.723 4.249 -3.990 1.00 0.00 C ATOM 1189 O ALA A 80 6.884 4.644 -4.095 1.00 0.00 O ATOM 1190 CB ALA A 80 4.138 4.894 -2.111 1.00 0.00 C ATOM 0 H ALA A 80 2.681 4.619 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 80 5.033 6.208 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.979 4.958 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.375 5.616 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.718 3.889 -2.078 1.00 0.00 H new ATOM 1196 N LEU A 81 5.325 3.013 -4.254 1.00 0.00 N ATOM 1197 CA LEU A 81 6.268 2.002 -4.700 1.00 0.00 C ATOM 1198 C LEU A 81 7.026 2.523 -5.923 1.00 0.00 C ATOM 1199 O LEU A 81 8.243 2.369 -6.015 1.00 0.00 O ATOM 1200 CB LEU A 81 5.553 0.672 -4.942 1.00 0.00 C ATOM 1201 CG LEU A 81 6.194 -0.257 -5.977 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.407 -0.978 -5.390 1.00 0.00 C ATOM 1203 CD2 LEU A 81 5.165 -1.235 -6.547 1.00 0.00 C ATOM 0 H LEU A 81 4.362 2.689 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 81 7.008 1.803 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.490 0.138 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.531 0.884 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 81 6.553 0.352 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.843 -1.631 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.148 -0.244 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.096 -1.574 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.646 -1.883 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.754 -1.842 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.361 -0.678 -7.028 1.00 0.00 H new ATOM 1215 N LYS A 82 6.277 3.129 -6.831 1.00 0.00 N ATOM 1216 CA LYS A 82 6.863 3.674 -8.044 1.00 0.00 C ATOM 1217 C LYS A 82 7.694 4.909 -7.694 1.00 0.00 C ATOM 1218 O LYS A 82 8.611 5.274 -8.428 1.00 0.00 O ATOM 1219 CB LYS A 82 5.779 3.939 -9.091 1.00 0.00 C ATOM 1220 CG LYS A 82 5.612 2.738 -10.024 1.00 0.00 C ATOM 1221 CD LYS A 82 4.391 1.905 -9.630 1.00 0.00 C ATOM 1222 CE LYS A 82 4.812 0.546 -9.066 1.00 0.00 C ATOM 1223 NZ LYS A 82 6.080 0.100 -9.685 1.00 0.00 N ATOM 0 H LYS A 82 5.268 3.255 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 82 7.541 2.951 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.833 4.152 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.039 4.823 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.505 3.084 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.507 2.117 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.803 2.444 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.750 1.759 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.933 0.616 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.030 -0.190 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.181 -0.928 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.072 0.333 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.879 0.581 -9.225 1.00 0.00 H new ATOM 1236 N ALA A 83 7.344 5.520 -6.571 1.00 0.00 N ATOM 1237 CA ALA A 83 8.047 6.706 -6.113 1.00 0.00 C ATOM 1238 C ALA A 83 9.454 6.317 -5.656 1.00 0.00 C ATOM 1239 O ALA A 83 10.402 7.082 -5.831 1.00 0.00 O ATOM 1240 CB ALA A 83 7.239 7.381 -5.002 1.00 0.00 C ATOM 0 H ALA A 83 6.582 5.215 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 83 8.152 7.426 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.766 8.271 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.259 7.665 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.115 6.688 -4.170 1.00 0.00 H new ATOM 1246 N ALA A 84 9.546 5.127 -5.079 1.00 0.00 N ATOM 1247 CA ALA A 84 10.822 4.626 -4.597 1.00 0.00 C ATOM 1248 C ALA A 84 11.764 4.413 -5.783 1.00 0.00 C ATOM 1249 O ALA A 84 12.901 4.881 -5.770 1.00 0.00 O ATOM 1250 CB ALA A 84 10.597 3.345 -3.793 1.00 0.00 C ATOM 0 H ALA A 84 8.758 4.496 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 84 11.291 5.350 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.554 2.969 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.947 3.558 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.129 2.594 -4.429 1.00 0.00 H new ATOM 1256 N ARG A 85 11.255 3.704 -6.780 1.00 0.00 N ATOM 1257 CA ARG A 85 12.036 3.422 -7.973 1.00 0.00 C ATOM 1258 C ARG A 85 12.435 4.726 -8.668 1.00 0.00 C ATOM 1259 O ARG A 85 13.459 4.786 -9.345 1.00 0.00 O ATOM 1260 CB ARG A 85 11.250 2.550 -8.953 1.00 0.00 C ATOM 1261 CG ARG A 85 11.677 1.083 -8.846 1.00 0.00 C ATOM 1262 CD ARG A 85 10.789 0.189 -9.714 1.00 0.00 C ATOM 1263 NE ARG A 85 11.268 0.208 -11.114 1.00 0.00 N ATOM 1264 CZ ARG A 85 12.316 -0.513 -11.567 1.00 0.00 C ATOM 1265 NH1 ARG A 85 13.004 -1.321 -10.730 1.00 0.00 N ATOM 1266 NH2 ARG A 85 12.656 -0.420 -12.838 1.00 0.00 N ATOM 0 H ARG A 85 10.312 3.316 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 85 12.931 2.883 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.183 2.638 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.410 2.906 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.717 0.980 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.620 0.759 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.800 -0.831 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.756 0.535 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 85 10.775 0.804 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.733 -1.389 -9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.795 -1.863 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.130 0.190 -13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.445 -0.958 -13.195 1.00 0.00 H new ATOM 1278 N GLU A 86 11.601 5.739 -8.476 1.00 0.00 N ATOM 1279 CA GLU A 86 11.852 7.039 -9.076 1.00 0.00 C ATOM 1280 C GLU A 86 12.382 8.014 -8.024 1.00 0.00 C ATOM 1281 O GLU A 86 12.447 9.219 -8.267 1.00 0.00 O ATOM 1282 CB GLU A 86 10.591 7.586 -9.747 1.00 0.00 C ATOM 1283 CG GLU A 86 9.742 8.381 -8.752 1.00 0.00 C ATOM 1284 CD GLU A 86 9.999 9.884 -8.892 1.00 0.00 C ATOM 1285 OE1 GLU A 86 10.015 10.407 -10.015 1.00 0.00 O ATOM 1286 OE2 GLU A 86 10.184 10.510 -7.780 1.00 0.00 O ATOM 0 H GLU A 86 10.752 5.685 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 86 12.611 6.921 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.869 8.225 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.005 6.762 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.686 8.172 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.972 8.062 -7.735 1.00 0.00 H new ATOM 1294 N GLU A 87 12.748 7.460 -6.878 1.00 0.00 N ATOM 1295 CA GLU A 87 13.270 8.266 -5.789 1.00 0.00 C ATOM 1296 C GLU A 87 13.628 7.378 -4.595 1.00 0.00 C ATOM 1297 O GLU A 87 14.804 7.199 -4.282 1.00 0.00 O ATOM 1298 CB GLU A 87 12.272 9.352 -5.383 1.00 0.00 C ATOM 1299 CG GLU A 87 12.834 10.221 -4.256 1.00 0.00 C ATOM 1300 CD GLU A 87 13.045 11.662 -4.726 1.00 0.00 C ATOM 1301 OE1 GLU A 87 14.075 11.968 -5.343 1.00 0.00 O ATOM 1302 OE2 GLU A 87 12.091 12.477 -4.428 1.00 0.00 O ATOM 0 H GLU A 87 12.693 6.461 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 87 14.177 8.762 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.038 9.976 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.339 8.891 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.150 10.208 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.780 9.806 -3.909 1.00 0.00 H new