USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 39 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -69:sc= -0.191 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0843 (180deg=-0.252) USER MOD Single : A 102 MET CE :methyl -97:sc= -3.73! (180deg=-5.22!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -4.761 15.149 7.208 1.00 0.00 N ATOM 30 CA ASP A 31 -5.734 14.317 7.970 1.00 0.00 C ATOM 31 C ASP A 31 -5.884 12.955 7.288 1.00 0.00 C ATOM 32 O ASP A 31 -6.978 12.511 7.001 1.00 0.00 O ATOM 33 CB ASP A 31 -7.091 15.022 8.004 1.00 0.00 C ATOM 34 CG ASP A 31 -7.051 16.157 9.029 1.00 0.00 C ATOM 35 OD1 ASP A 31 -6.967 15.860 10.209 1.00 0.00 O ATOM 36 OD2 ASP A 31 -7.105 17.304 8.616 1.00 0.00 O ATOM 0 HA ASP A 31 -5.372 14.176 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.332 15.417 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.876 14.311 8.263 1.00 0.00 H new ATOM 41 N GLY A 32 -4.793 12.289 7.026 1.00 0.00 N ATOM 42 CA GLY A 32 -4.874 10.957 6.363 1.00 0.00 C ATOM 43 C GLY A 32 -3.622 10.732 5.512 1.00 0.00 C ATOM 44 O GLY A 32 -3.228 11.578 4.735 1.00 0.00 O ATOM 0 H GLY A 32 -3.849 12.610 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.963 10.171 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.766 10.904 5.738 1.00 0.00 H new ATOM 48 N VAL A 33 -2.993 9.597 5.654 1.00 0.00 N ATOM 49 CA VAL A 33 -1.768 9.320 4.853 1.00 0.00 C ATOM 50 C VAL A 33 -1.515 7.811 4.814 1.00 0.00 C ATOM 51 O VAL A 33 -1.534 7.142 5.828 1.00 0.00 O ATOM 52 CB VAL A 33 -0.570 10.021 5.496 1.00 0.00 C ATOM 53 CG1 VAL A 33 -0.458 9.602 6.963 1.00 0.00 C ATOM 54 CG2 VAL A 33 0.709 9.624 4.755 1.00 0.00 C ATOM 0 H VAL A 33 -3.275 8.851 6.290 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.905 9.692 3.838 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.707 11.101 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.396 10.102 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.369 9.883 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.321 8.522 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.564 10.123 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.844 8.544 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.631 9.922 3.709 1.00 0.00 H new ATOM 64 N VAL A 34 -1.279 7.270 3.650 1.00 0.00 N ATOM 65 CA VAL A 34 -1.025 5.805 3.547 1.00 0.00 C ATOM 66 C VAL A 34 0.465 5.562 3.301 1.00 0.00 C ATOM 67 O VAL A 34 1.160 6.399 2.760 1.00 0.00 O ATOM 68 CB VAL A 34 -1.835 5.229 2.384 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.443 3.767 2.164 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.327 5.312 2.713 1.00 0.00 C ATOM 0 H VAL A 34 -1.251 7.779 2.766 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.324 5.317 4.475 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.629 5.801 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.020 3.356 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.380 3.706 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.649 3.195 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.905 4.902 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.532 4.740 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.607 6.353 2.871 1.00 0.00 H new ATOM 80 N ARG A 35 0.963 4.421 3.694 1.00 0.00 N ATOM 81 CA ARG A 35 2.408 4.126 3.483 1.00 0.00 C ATOM 82 C ARG A 35 2.558 2.758 2.816 1.00 0.00 C ATOM 83 O ARG A 35 2.470 1.730 3.458 1.00 0.00 O ATOM 84 CB ARG A 35 3.130 4.118 4.832 1.00 0.00 C ATOM 85 CG ARG A 35 4.546 4.668 4.657 1.00 0.00 C ATOM 86 CD ARG A 35 5.209 4.818 6.027 1.00 0.00 C ATOM 87 NE ARG A 35 6.505 5.539 5.875 1.00 0.00 N ATOM 88 CZ ARG A 35 7.353 5.573 6.867 1.00 0.00 C ATOM 89 NH1 ARG A 35 7.622 4.484 7.533 1.00 0.00 N ATOM 90 NH2 ARG A 35 7.931 6.697 7.192 1.00 0.00 N ATOM 0 H ARG A 35 0.431 3.681 4.152 1.00 0.00 H new ATOM 0 HA ARG A 35 2.845 4.892 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.581 4.722 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.169 3.104 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.133 3.998 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.513 5.632 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.553 5.366 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.376 3.837 6.471 1.00 0.00 H new ATOM 0 HE ARG A 35 6.729 6.006 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.170 3.606 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.285 4.511 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.720 7.548 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.594 6.724 7.967 1.00 0.00 H new ATOM 104 N ILE A 36 2.786 2.736 1.531 1.00 0.00 N ATOM 105 CA ILE A 36 2.943 1.433 0.824 1.00 0.00 C ATOM 106 C ILE A 36 4.427 1.178 0.552 1.00 0.00 C ATOM 107 O ILE A 36 5.110 1.994 -0.035 1.00 0.00 O ATOM 108 CB ILE A 36 2.182 1.477 -0.502 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.856 2.216 -0.303 1.00 0.00 C ATOM 110 CG2 ILE A 36 1.902 0.050 -0.977 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.908 3.560 -1.032 1.00 0.00 C ATOM 0 H ILE A 36 2.870 3.563 0.940 1.00 0.00 H new ATOM 0 HA ILE A 36 2.543 0.631 1.445 1.00 0.00 H new ATOM 0 HB ILE A 36 2.782 1.998 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.031 1.615 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.671 2.373 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.360 0.081 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.845 -0.479 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.302 -0.471 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.036 4.087 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.723 4.161 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.074 3.391 -2.096 1.00 0.00 H new ATOM 123 N GLN A 37 4.932 0.051 0.974 1.00 0.00 N ATOM 124 CA GLN A 37 6.372 -0.254 0.739 1.00 0.00 C ATOM 125 C GLN A 37 6.495 -1.565 -0.039 1.00 0.00 C ATOM 126 O GLN A 37 5.531 -2.072 -0.578 1.00 0.00 O ATOM 127 CB GLN A 37 7.090 -0.389 2.084 1.00 0.00 C ATOM 128 CG GLN A 37 6.698 0.778 2.991 1.00 0.00 C ATOM 129 CD GLN A 37 7.448 0.667 4.320 1.00 0.00 C ATOM 130 OE1 GLN A 37 8.168 -0.285 4.547 1.00 0.00 O ATOM 131 NE2 GLN A 37 7.311 1.608 5.214 1.00 0.00 N ATOM 0 H GLN A 37 4.410 -0.671 1.471 1.00 0.00 H new ATOM 0 HA GLN A 37 6.826 0.553 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.825 -1.335 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.169 -0.399 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.935 1.725 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.622 0.770 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.707 2.408 5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.808 1.544 6.102 1.00 0.00 H new ATOM 140 N ARG A 38 7.675 -2.119 -0.104 1.00 0.00 N ATOM 141 CA ARG A 38 7.858 -3.397 -0.848 1.00 0.00 C ATOM 142 C ARG A 38 9.036 -4.170 -0.252 1.00 0.00 C ATOM 143 O ARG A 38 10.097 -3.623 -0.021 1.00 0.00 O ATOM 144 CB ARG A 38 8.141 -3.093 -2.321 1.00 0.00 C ATOM 145 CG ARG A 38 9.136 -1.935 -2.421 1.00 0.00 C ATOM 146 CD ARG A 38 9.798 -1.948 -3.800 1.00 0.00 C ATOM 147 NE ARG A 38 10.800 -0.848 -3.880 1.00 0.00 N ATOM 148 CZ ARG A 38 11.323 -0.524 -5.031 1.00 0.00 C ATOM 149 NH1 ARG A 38 11.431 -1.420 -5.974 1.00 0.00 N ATOM 150 NH2 ARG A 38 11.737 0.696 -5.240 1.00 0.00 N ATOM 0 H ARG A 38 8.520 -1.742 0.326 1.00 0.00 H new ATOM 0 HA ARG A 38 6.952 -3.997 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.545 -3.977 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.215 -2.836 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.623 -0.986 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.893 -2.024 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.282 -2.909 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.045 -1.825 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 38 11.077 -0.348 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.107 -2.373 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.840 -1.167 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.652 1.397 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.146 0.949 -6.140 1.00 0.00 H new ATOM 164 N GLN A 39 8.860 -5.438 -0.001 1.00 0.00 N ATOM 165 CA GLN A 39 9.970 -6.245 0.579 1.00 0.00 C ATOM 166 C GLN A 39 10.354 -7.360 -0.396 1.00 0.00 C ATOM 167 O GLN A 39 9.609 -8.296 -0.607 1.00 0.00 O ATOM 168 CB GLN A 39 9.516 -6.860 1.905 1.00 0.00 C ATOM 169 CG GLN A 39 10.626 -6.708 2.946 1.00 0.00 C ATOM 170 CD GLN A 39 11.083 -8.092 3.411 1.00 0.00 C ATOM 171 OE1 GLN A 39 10.351 -9.055 3.298 1.00 0.00 O ATOM 172 NE2 GLN A 39 12.270 -8.232 3.934 1.00 0.00 N ATOM 0 H GLN A 39 7.995 -5.950 -0.173 1.00 0.00 H new ATOM 0 HA GLN A 39 10.833 -5.602 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.607 -6.369 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.276 -7.914 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.466 -6.160 2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.265 -6.128 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.884 -7.423 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.584 -9.150 4.248 1.00 0.00 H new ATOM 181 N THR A 40 11.511 -7.268 -0.991 1.00 0.00 N ATOM 182 CA THR A 40 11.940 -8.323 -1.952 1.00 0.00 C ATOM 183 C THR A 40 13.073 -9.145 -1.334 1.00 0.00 C ATOM 184 O THR A 40 13.660 -8.763 -0.341 1.00 0.00 O ATOM 185 CB THR A 40 12.432 -7.667 -3.244 1.00 0.00 C ATOM 186 OG1 THR A 40 12.905 -8.670 -4.132 1.00 0.00 O ATOM 187 CG2 THR A 40 13.565 -6.691 -2.924 1.00 0.00 C ATOM 0 H THR A 40 12.178 -6.508 -0.854 1.00 0.00 H new ATOM 0 HA THR A 40 11.096 -8.976 -2.175 1.00 0.00 H new ATOM 0 HB THR A 40 11.610 -7.125 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.219 -8.252 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.914 -6.225 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.201 -5.922 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.388 -7.230 -2.455 1.00 0.00 H new ATOM 266 N LYS A 46 9.091 -12.944 -7.292 1.00 0.00 N ATOM 267 CA LYS A 46 9.123 -12.810 -5.809 1.00 0.00 C ATOM 268 C LYS A 46 9.048 -11.331 -5.428 1.00 0.00 C ATOM 269 O LYS A 46 9.960 -10.568 -5.678 1.00 0.00 O ATOM 270 CB LYS A 46 10.423 -13.411 -5.270 1.00 0.00 C ATOM 271 CG LYS A 46 10.124 -14.231 -4.014 1.00 0.00 C ATOM 272 CD LYS A 46 11.417 -14.861 -3.494 1.00 0.00 C ATOM 273 CE LYS A 46 11.851 -15.986 -4.434 1.00 0.00 C ATOM 274 NZ LYS A 46 12.825 -16.871 -3.734 1.00 0.00 N ATOM 0 HA LYS A 46 8.273 -13.339 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.886 -14.043 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.134 -12.618 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.684 -13.593 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.394 -15.008 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.200 -14.106 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.264 -15.252 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.983 -16.563 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.304 -15.569 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.120 -17.636 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.658 -16.316 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.378 -17.279 -2.889 1.00 0.00 H new ATOM 288 N GLY A 47 7.966 -10.920 -4.826 1.00 0.00 N ATOM 289 CA GLY A 47 7.830 -9.490 -4.428 1.00 0.00 C ATOM 290 C GLY A 47 6.495 -9.289 -3.710 1.00 0.00 C ATOM 291 O GLY A 47 5.458 -9.715 -4.177 1.00 0.00 O ATOM 0 H GLY A 47 7.170 -11.513 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.654 -9.203 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.883 -8.849 -5.308 1.00 0.00 H new ATOM 295 N VAL A 48 6.512 -8.644 -2.575 1.00 0.00 N ATOM 296 CA VAL A 48 5.241 -8.421 -1.829 1.00 0.00 C ATOM 297 C VAL A 48 5.141 -6.951 -1.417 1.00 0.00 C ATOM 298 O VAL A 48 6.132 -6.302 -1.146 1.00 0.00 O ATOM 299 CB VAL A 48 5.223 -9.304 -0.581 1.00 0.00 C ATOM 300 CG1 VAL A 48 5.402 -10.767 -0.988 1.00 0.00 C ATOM 301 CG2 VAL A 48 6.366 -8.892 0.350 1.00 0.00 C ATOM 0 H VAL A 48 7.349 -8.263 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 48 4.395 -8.676 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 48 4.270 -9.184 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.389 -11.396 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.590 -11.062 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.355 -10.887 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.355 -9.521 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.318 -9.013 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.241 -7.849 0.641 1.00 0.00 H new ATOM 311 N CYS A 49 3.949 -6.420 -1.369 1.00 0.00 N ATOM 312 CA CYS A 49 3.784 -4.993 -0.974 1.00 0.00 C ATOM 313 C CYS A 49 2.809 -4.898 0.201 1.00 0.00 C ATOM 314 O CYS A 49 1.657 -5.270 0.097 1.00 0.00 O ATOM 315 CB CYS A 49 3.232 -4.197 -2.159 1.00 0.00 C ATOM 316 SG CYS A 49 4.606 -3.567 -3.155 1.00 0.00 S ATOM 0 H CYS A 49 3.083 -6.913 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 49 4.750 -4.584 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.588 -4.831 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.619 -3.370 -1.801 1.00 0.00 H new ATOM 0 HG CYS A 49 5.246 -2.655 -2.485 1.00 0.00 H new ATOM 322 N LEU A 50 3.262 -4.405 1.321 1.00 0.00 N ATOM 323 CA LEU A 50 2.361 -4.288 2.502 1.00 0.00 C ATOM 324 C LEU A 50 2.121 -2.810 2.817 1.00 0.00 C ATOM 325 O LEU A 50 3.023 -1.999 2.762 1.00 0.00 O ATOM 326 CB LEU A 50 3.013 -4.965 3.710 1.00 0.00 C ATOM 327 CG LEU A 50 4.422 -4.404 3.910 1.00 0.00 C ATOM 328 CD1 LEU A 50 4.693 -4.223 5.405 1.00 0.00 C ATOM 329 CD2 LEU A 50 5.445 -5.377 3.321 1.00 0.00 C ATOM 0 H LEU A 50 4.217 -4.078 1.469 1.00 0.00 H new ATOM 0 HA LEU A 50 1.410 -4.773 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.412 -4.795 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.058 -6.043 3.556 1.00 0.00 H new ATOM 0 HG LEU A 50 4.504 -3.440 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.697 -3.823 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.964 -3.531 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.611 -5.186 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.450 -4.979 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.362 -6.340 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.253 -5.506 2.256 1.00 0.00 H new ATOM 341 N ILE A 51 0.910 -2.454 3.150 1.00 0.00 N ATOM 342 CA ILE A 51 0.615 -1.030 3.471 1.00 0.00 C ATOM 343 C ILE A 51 0.372 -0.888 4.975 1.00 0.00 C ATOM 344 O ILE A 51 -0.494 -1.529 5.536 1.00 0.00 O ATOM 345 CB ILE A 51 -0.633 -0.583 2.707 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.355 -0.640 1.202 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.988 0.851 3.103 1.00 0.00 C ATOM 348 CD1 ILE A 51 -0.250 -2.100 0.757 1.00 0.00 C ATOM 0 H ILE A 51 0.113 -3.088 3.213 1.00 0.00 H new ATOM 0 HA ILE A 51 1.461 -0.408 3.179 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.465 -1.244 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.153 -0.139 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.570 -0.111 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.877 1.169 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.183 0.895 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.157 1.512 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.052 -2.141 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.564 -2.587 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.186 -2.614 0.973 1.00 0.00 H new ATOM 360 N THR A 52 1.131 -0.054 5.632 1.00 0.00 N ATOM 361 CA THR A 52 0.944 0.126 7.099 1.00 0.00 C ATOM 362 C THR A 52 1.246 1.577 7.479 1.00 0.00 C ATOM 363 O THR A 52 1.960 2.275 6.786 1.00 0.00 O ATOM 364 CB THR A 52 1.896 -0.808 7.851 1.00 0.00 C ATOM 365 OG1 THR A 52 2.021 -0.370 9.197 1.00 0.00 O ATOM 366 CG2 THR A 52 3.269 -0.790 7.177 1.00 0.00 C ATOM 0 H THR A 52 1.872 0.510 5.216 1.00 0.00 H new ATOM 0 HA THR A 52 -0.086 -0.111 7.366 1.00 0.00 H new ATOM 0 HB THR A 52 1.499 -1.823 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.629 -0.968 9.680 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.946 -1.455 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.172 -1.126 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.669 0.224 7.193 1.00 0.00 H new ATOM 374 N GLY A 53 0.707 2.038 8.575 1.00 0.00 N ATOM 375 CA GLY A 53 0.962 3.444 8.997 1.00 0.00 C ATOM 376 C GLY A 53 -0.158 4.344 8.472 1.00 0.00 C ATOM 377 O GLY A 53 0.013 5.536 8.313 1.00 0.00 O ATOM 0 H GLY A 53 0.101 1.501 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.013 3.505 10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.925 3.782 8.613 1.00 0.00 H new ATOM 381 N VAL A 54 -1.303 3.781 8.199 1.00 0.00 N ATOM 382 CA VAL A 54 -2.434 4.601 7.683 1.00 0.00 C ATOM 383 C VAL A 54 -3.122 5.315 8.848 1.00 0.00 C ATOM 384 O VAL A 54 -3.697 4.691 9.718 1.00 0.00 O ATOM 385 CB VAL A 54 -3.440 3.690 6.977 1.00 0.00 C ATOM 386 CG1 VAL A 54 -4.431 4.540 6.181 1.00 0.00 C ATOM 387 CG2 VAL A 54 -2.695 2.751 6.025 1.00 0.00 C ATOM 0 H VAL A 54 -1.504 2.787 8.311 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.055 5.341 6.978 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.981 3.103 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.147 3.889 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.962 5.210 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.892 5.128 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.410 2.101 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.154 3.339 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.989 2.143 6.592 1.00 0.00 H new ATOM 397 N ASP A 55 -3.069 6.619 8.872 1.00 0.00 N ATOM 398 CA ASP A 55 -3.721 7.370 9.982 1.00 0.00 C ATOM 399 C ASP A 55 -5.133 7.780 9.559 1.00 0.00 C ATOM 400 O ASP A 55 -5.385 8.920 9.222 1.00 0.00 O ATOM 401 CB ASP A 55 -2.901 8.622 10.302 1.00 0.00 C ATOM 402 CG ASP A 55 -3.417 9.253 11.597 1.00 0.00 C ATOM 403 OD1 ASP A 55 -3.693 8.512 12.525 1.00 0.00 O ATOM 404 OD2 ASP A 55 -3.527 10.468 11.637 1.00 0.00 O ATOM 0 H ASP A 55 -2.603 7.196 8.172 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.776 6.736 10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.847 8.363 10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.974 9.337 9.482 1.00 0.00 H new ATOM 409 N LEU A 56 -6.057 6.859 9.576 1.00 0.00 N ATOM 410 CA LEU A 56 -7.453 7.195 9.176 1.00 0.00 C ATOM 411 C LEU A 56 -8.434 6.387 10.027 1.00 0.00 C ATOM 412 O LEU A 56 -8.041 5.584 10.850 1.00 0.00 O ATOM 413 CB LEU A 56 -7.656 6.854 7.698 1.00 0.00 C ATOM 414 CG LEU A 56 -7.117 7.995 6.832 1.00 0.00 C ATOM 415 CD1 LEU A 56 -6.016 7.463 5.913 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.254 8.571 5.984 1.00 0.00 C ATOM 0 H LEU A 56 -5.906 5.888 9.850 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.630 8.259 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.142 5.924 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.715 6.696 7.492 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.708 8.776 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.632 8.276 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.206 7.051 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.424 6.682 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.872 9.384 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.662 7.789 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.039 8.950 6.638 1.00 0.00 H new ATOM 428 N ASP A 57 -9.709 6.593 9.838 1.00 0.00 N ATOM 429 CA ASP A 57 -10.711 5.836 10.639 1.00 0.00 C ATOM 430 C ASP A 57 -10.489 4.334 10.448 1.00 0.00 C ATOM 431 O ASP A 57 -9.899 3.903 9.477 1.00 0.00 O ATOM 432 CB ASP A 57 -12.121 6.207 10.174 1.00 0.00 C ATOM 433 CG ASP A 57 -13.028 6.392 11.392 1.00 0.00 C ATOM 434 OD1 ASP A 57 -12.511 6.725 12.446 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.224 6.198 11.251 1.00 0.00 O ATOM 0 H ASP A 57 -10.099 7.252 9.164 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.598 6.088 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.092 7.125 9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.519 5.426 9.526 1.00 0.00 H new ATOM 440 N ASP A 58 -10.957 3.535 11.367 1.00 0.00 N ATOM 441 CA ASP A 58 -10.773 2.062 11.238 1.00 0.00 C ATOM 442 C ASP A 58 -11.638 1.538 10.090 1.00 0.00 C ATOM 443 O ASP A 58 -11.179 0.799 9.242 1.00 0.00 O ATOM 444 CB ASP A 58 -11.191 1.380 12.543 1.00 0.00 C ATOM 445 CG ASP A 58 -9.950 0.849 13.262 1.00 0.00 C ATOM 446 OD1 ASP A 58 -8.883 1.399 13.045 1.00 0.00 O ATOM 447 OD2 ASP A 58 -10.088 -0.098 14.019 1.00 0.00 O ATOM 0 H ASP A 58 -11.459 3.838 12.202 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.725 1.844 11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.720 2.087 13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.881 0.562 12.334 1.00 0.00 H new ATOM 452 N ALA A 59 -12.886 1.915 10.056 1.00 0.00 N ATOM 453 CA ALA A 59 -13.778 1.439 8.962 1.00 0.00 C ATOM 454 C ALA A 59 -13.202 1.871 7.612 1.00 0.00 C ATOM 455 O ALA A 59 -13.330 1.179 6.621 1.00 0.00 O ATOM 456 CB ALA A 59 -15.172 2.044 9.140 1.00 0.00 C ATOM 0 H ALA A 59 -13.327 2.532 10.738 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.848 0.352 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -15.825 1.696 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -15.582 1.737 10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.104 3.131 9.105 1.00 0.00 H new ATOM 462 N GLU A 60 -12.569 3.011 7.564 1.00 0.00 N ATOM 463 CA GLU A 60 -11.985 3.485 6.278 1.00 0.00 C ATOM 464 C GLU A 60 -10.965 2.462 5.775 1.00 0.00 C ATOM 465 O GLU A 60 -11.044 1.990 4.657 1.00 0.00 O ATOM 466 CB GLU A 60 -11.291 4.831 6.498 1.00 0.00 C ATOM 467 CG GLU A 60 -11.842 5.859 5.507 1.00 0.00 C ATOM 468 CD GLU A 60 -10.690 6.454 4.695 1.00 0.00 C ATOM 469 OE1 GLU A 60 -9.831 5.696 4.279 1.00 0.00 O ATOM 470 OE2 GLU A 60 -10.687 7.659 4.504 1.00 0.00 O ATOM 0 H GLU A 60 -12.431 3.634 8.360 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.778 3.602 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.453 5.173 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.215 4.723 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.564 5.387 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.370 6.649 6.042 1.00 0.00 H new ATOM 477 N LEU A 61 -10.008 2.113 6.591 1.00 0.00 N ATOM 478 CA LEU A 61 -8.988 1.118 6.157 1.00 0.00 C ATOM 479 C LEU A 61 -9.688 -0.046 5.455 1.00 0.00 C ATOM 480 O LEU A 61 -9.241 -0.526 4.432 1.00 0.00 O ATOM 481 CB LEU A 61 -8.228 0.598 7.378 1.00 0.00 C ATOM 482 CG LEU A 61 -6.939 1.401 7.556 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.102 2.380 8.720 1.00 0.00 C ATOM 484 CD2 LEU A 61 -5.781 0.445 7.853 1.00 0.00 C ATOM 0 H LEU A 61 -9.889 2.473 7.538 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.285 1.590 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.849 0.684 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.996 -0.460 7.252 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.729 1.957 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.183 2.952 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.927 3.061 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.313 1.826 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.861 1.016 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.993 -0.110 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.663 -0.253 7.024 1.00 0.00 H new ATOM 496 N THR A 62 -10.786 -0.501 5.993 1.00 0.00 N ATOM 497 CA THR A 62 -11.515 -1.631 5.352 1.00 0.00 C ATOM 498 C THR A 62 -11.899 -1.236 3.926 1.00 0.00 C ATOM 499 O THR A 62 -11.640 -1.955 2.981 1.00 0.00 O ATOM 500 CB THR A 62 -12.780 -1.945 6.154 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.428 -2.218 7.503 1.00 0.00 O ATOM 502 CG2 THR A 62 -13.479 -3.163 5.550 1.00 0.00 C ATOM 0 H THR A 62 -11.209 -0.140 6.848 1.00 0.00 H new ATOM 0 HA THR A 62 -10.875 -2.513 5.329 1.00 0.00 H new ATOM 0 HB THR A 62 -13.454 -1.089 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.237 -2.418 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.380 -3.386 6.122 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.749 -2.952 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.807 -4.021 5.582 1.00 0.00 H new ATOM 510 N LYS A 63 -12.510 -0.094 3.761 1.00 0.00 N ATOM 511 CA LYS A 63 -12.903 0.349 2.394 1.00 0.00 C ATOM 512 C LYS A 63 -11.682 0.285 1.476 1.00 0.00 C ATOM 513 O LYS A 63 -11.795 0.059 0.288 1.00 0.00 O ATOM 514 CB LYS A 63 -13.424 1.787 2.452 1.00 0.00 C ATOM 515 CG LYS A 63 -14.678 1.845 3.326 1.00 0.00 C ATOM 516 CD LYS A 63 -15.298 3.241 3.238 1.00 0.00 C ATOM 517 CE LYS A 63 -16.347 3.408 4.339 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.798 4.828 4.385 1.00 0.00 N ATOM 0 H LYS A 63 -12.754 0.550 4.513 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.687 -0.303 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.656 2.446 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.652 2.142 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.398 1.095 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.424 1.613 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.523 4.001 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.757 3.385 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.196 2.752 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.928 3.117 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.511 4.942 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.985 5.444 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.213 5.090 3.468 1.00 0.00 H new ATOM 532 N LEU A 64 -10.513 0.484 2.021 1.00 0.00 N ATOM 533 CA LEU A 64 -9.281 0.434 1.184 1.00 0.00 C ATOM 534 C LEU A 64 -9.038 -1.003 0.719 1.00 0.00 C ATOM 535 O LEU A 64 -8.892 -1.269 -0.458 1.00 0.00 O ATOM 536 CB LEU A 64 -8.086 0.914 2.010 1.00 0.00 C ATOM 537 CG LEU A 64 -7.536 2.207 1.406 1.00 0.00 C ATOM 538 CD1 LEU A 64 -8.534 3.344 1.633 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.206 2.557 2.078 1.00 0.00 C ATOM 0 H LEU A 64 -10.358 0.679 3.010 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.404 1.080 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.389 1.083 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.310 0.149 2.026 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.380 2.069 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.141 4.265 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.482 3.096 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.691 3.482 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.813 3.478 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.364 2.694 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.493 1.748 1.917 1.00 0.00 H new ATOM 551 N ALA A 65 -8.997 -1.934 1.634 1.00 0.00 N ATOM 552 CA ALA A 65 -8.765 -3.353 1.243 1.00 0.00 C ATOM 553 C ALA A 65 -9.772 -3.751 0.162 1.00 0.00 C ATOM 554 O ALA A 65 -9.476 -4.532 -0.719 1.00 0.00 O ATOM 555 CB ALA A 65 -8.944 -4.254 2.466 1.00 0.00 C ATOM 0 H ALA A 65 -9.114 -1.773 2.634 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.752 -3.465 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.774 -5.292 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.228 -3.968 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.957 -4.145 2.853 1.00 0.00 H new ATOM 561 N ALA A 66 -10.961 -3.216 0.222 1.00 0.00 N ATOM 562 CA ALA A 66 -11.986 -3.560 -0.803 1.00 0.00 C ATOM 563 C ALA A 66 -11.611 -2.904 -2.132 1.00 0.00 C ATOM 564 O ALA A 66 -11.721 -3.501 -3.185 1.00 0.00 O ATOM 565 CB ALA A 66 -13.355 -3.045 -0.350 1.00 0.00 C ATOM 0 H ALA A 66 -11.267 -2.556 0.937 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.029 -4.642 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.105 -3.297 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.622 -3.508 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.314 -1.963 -0.227 1.00 0.00 H new ATOM 571 N GLU A 67 -11.167 -1.677 -2.093 1.00 0.00 N ATOM 572 CA GLU A 67 -10.783 -0.982 -3.353 1.00 0.00 C ATOM 573 C GLU A 67 -9.576 -1.688 -3.974 1.00 0.00 C ATOM 574 O GLU A 67 -9.299 -1.547 -5.148 1.00 0.00 O ATOM 575 CB GLU A 67 -10.422 0.473 -3.043 1.00 0.00 C ATOM 576 CG GLU A 67 -10.594 1.322 -4.304 1.00 0.00 C ATOM 577 CD GLU A 67 -9.839 2.642 -4.139 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.279 2.853 -3.076 1.00 0.00 O ATOM 579 OE2 GLU A 67 -9.835 3.421 -5.078 1.00 0.00 O ATOM 0 H GLU A 67 -11.054 -1.126 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.618 -1.006 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.059 0.855 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.394 0.536 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.218 0.782 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.652 1.516 -4.483 1.00 0.00 H new ATOM 586 N LEU A 68 -8.855 -2.448 -3.195 1.00 0.00 N ATOM 587 CA LEU A 68 -7.668 -3.163 -3.743 1.00 0.00 C ATOM 588 C LEU A 68 -8.118 -4.472 -4.395 1.00 0.00 C ATOM 589 O LEU A 68 -7.874 -4.711 -5.561 1.00 0.00 O ATOM 590 CB LEU A 68 -6.686 -3.467 -2.610 1.00 0.00 C ATOM 591 CG LEU A 68 -5.584 -2.407 -2.595 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.806 -2.460 -3.910 1.00 0.00 C ATOM 593 CD2 LEU A 68 -6.214 -1.022 -2.432 1.00 0.00 C ATOM 0 H LEU A 68 -9.037 -2.604 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.178 -2.536 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.209 -3.477 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.251 -4.457 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.905 -2.600 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.021 -1.704 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.358 -3.447 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.484 -2.267 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.430 -0.265 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.892 -0.830 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.769 -0.983 -1.495 1.00 0.00 H new ATOM 605 N LYS A 69 -8.774 -5.320 -3.653 1.00 0.00 N ATOM 606 CA LYS A 69 -9.240 -6.612 -4.234 1.00 0.00 C ATOM 607 C LYS A 69 -10.188 -6.332 -5.401 1.00 0.00 C ATOM 608 O LYS A 69 -10.375 -7.156 -6.273 1.00 0.00 O ATOM 609 CB LYS A 69 -9.977 -7.417 -3.162 1.00 0.00 C ATOM 610 CG LYS A 69 -8.970 -8.247 -2.364 1.00 0.00 C ATOM 611 CD LYS A 69 -9.716 -9.132 -1.364 1.00 0.00 C ATOM 612 CE LYS A 69 -9.232 -10.577 -1.499 1.00 0.00 C ATOM 613 NZ LYS A 69 -10.389 -11.504 -1.348 1.00 0.00 N ATOM 0 H LYS A 69 -9.008 -5.176 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.381 -7.181 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.519 -6.745 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.716 -8.070 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.375 -8.863 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.277 -7.590 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.546 -8.774 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.789 -9.079 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.759 -10.724 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.479 -10.792 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.061 -12.487 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.822 -11.369 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.093 -11.304 -2.087 1.00 0.00 H new ATOM 627 N LYS A 70 -10.788 -5.174 -5.424 1.00 0.00 N ATOM 628 CA LYS A 70 -11.724 -4.841 -6.534 1.00 0.00 C ATOM 629 C LYS A 70 -11.052 -5.139 -7.875 1.00 0.00 C ATOM 630 O LYS A 70 -11.657 -5.686 -8.776 1.00 0.00 O ATOM 631 CB LYS A 70 -12.089 -3.357 -6.466 1.00 0.00 C ATOM 632 CG LYS A 70 -13.611 -3.209 -6.436 1.00 0.00 C ATOM 633 CD LYS A 70 -13.978 -1.730 -6.308 1.00 0.00 C ATOM 634 CE LYS A 70 -15.475 -1.598 -6.022 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.674 -0.789 -4.787 1.00 0.00 N ATOM 0 H LYS A 70 -10.670 -4.444 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.628 -5.443 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.651 -2.904 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.678 -2.830 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.045 -3.625 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.025 -3.771 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.402 -1.270 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.724 -1.201 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.977 -1.124 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.921 -2.585 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.691 -0.699 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.208 -1.259 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.262 0.156 -4.921 1.00 0.00 H new ATOM 649 N LYS A 71 -9.805 -4.786 -8.014 1.00 0.00 N ATOM 650 CA LYS A 71 -9.096 -5.051 -9.297 1.00 0.00 C ATOM 651 C LYS A 71 -7.773 -5.762 -9.007 1.00 0.00 C ATOM 652 O LYS A 71 -6.707 -5.200 -9.160 1.00 0.00 O ATOM 653 CB LYS A 71 -8.820 -3.728 -10.014 1.00 0.00 C ATOM 654 CG LYS A 71 -8.297 -2.699 -9.010 1.00 0.00 C ATOM 655 CD LYS A 71 -7.950 -1.402 -9.744 1.00 0.00 C ATOM 656 CE LYS A 71 -6.784 -1.655 -10.701 1.00 0.00 C ATOM 657 NZ LYS A 71 -5.745 -0.604 -10.509 1.00 0.00 N ATOM 0 H LYS A 71 -9.246 -4.326 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.717 -5.682 -9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.090 -3.879 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.732 -3.361 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.049 -2.507 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.416 -3.088 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.817 -1.041 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.684 -0.625 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.357 -2.641 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.138 -1.647 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.952 -0.776 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.157 0.331 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.400 -0.632 -9.528 1.00 0.00 H new ATOM 671 N CYS A 72 -7.835 -6.996 -8.586 1.00 0.00 N ATOM 672 CA CYS A 72 -6.583 -7.744 -8.284 1.00 0.00 C ATOM 673 C CYS A 72 -6.760 -9.212 -8.677 1.00 0.00 C ATOM 674 O CYS A 72 -5.880 -9.821 -9.253 1.00 0.00 O ATOM 675 CB CYS A 72 -6.283 -7.647 -6.786 1.00 0.00 C ATOM 676 SG CYS A 72 -4.621 -6.972 -6.545 1.00 0.00 S ATOM 0 H CYS A 72 -8.699 -7.518 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.755 -7.315 -8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.020 -7.010 -6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.357 -8.632 -6.325 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.367 -6.888 -5.273 1.00 0.00 H new ATOM 682 N GLY A 73 -7.892 -9.785 -8.372 1.00 0.00 N ATOM 683 CA GLY A 73 -8.127 -11.213 -8.729 1.00 0.00 C ATOM 684 C GLY A 73 -8.377 -12.023 -7.455 1.00 0.00 C ATOM 685 O GLY A 73 -9.433 -12.593 -7.267 1.00 0.00 O ATOM 0 H GLY A 73 -8.665 -9.326 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.983 -11.295 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.265 -11.612 -9.263 1.00 0.00 H new ATOM 689 N CYS A 74 -7.412 -12.076 -6.579 1.00 0.00 N ATOM 690 CA CYS A 74 -7.589 -12.846 -5.315 1.00 0.00 C ATOM 691 C CYS A 74 -6.256 -12.903 -4.566 1.00 0.00 C ATOM 692 O CYS A 74 -5.340 -13.595 -4.961 1.00 0.00 O ATOM 693 CB CYS A 74 -8.054 -14.268 -5.639 1.00 0.00 C ATOM 694 SG CYS A 74 -8.004 -15.278 -4.138 1.00 0.00 S ATOM 0 H CYS A 74 -6.506 -11.618 -6.684 1.00 0.00 H new ATOM 0 HA CYS A 74 -8.338 -12.355 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.066 -14.248 -6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.414 -14.705 -6.405 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.401 -16.485 -4.414 1.00 0.00 H new ATOM 700 N GLY A 75 -6.141 -12.179 -3.487 1.00 0.00 N ATOM 701 CA GLY A 75 -4.867 -12.190 -2.714 1.00 0.00 C ATOM 702 C GLY A 75 -4.801 -10.948 -1.826 1.00 0.00 C ATOM 703 O GLY A 75 -3.825 -10.223 -1.828 1.00 0.00 O ATOM 0 H GLY A 75 -6.874 -11.580 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.807 -13.091 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.016 -12.209 -3.395 1.00 0.00 H new ATOM 707 N GLY A 76 -5.832 -10.694 -1.068 1.00 0.00 N ATOM 708 CA GLY A 76 -5.828 -9.497 -0.183 1.00 0.00 C ATOM 709 C GLY A 76 -5.928 -9.937 1.279 1.00 0.00 C ATOM 710 O GLY A 76 -6.907 -10.522 1.696 1.00 0.00 O ATOM 0 H GLY A 76 -6.677 -11.264 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.916 -8.921 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.664 -8.844 -0.434 1.00 0.00 H new ATOM 714 N ALA A 77 -4.923 -9.653 2.061 1.00 0.00 N ATOM 715 CA ALA A 77 -4.960 -10.047 3.498 1.00 0.00 C ATOM 716 C ALA A 77 -5.252 -8.808 4.347 1.00 0.00 C ATOM 717 O ALA A 77 -4.433 -7.919 4.464 1.00 0.00 O ATOM 718 CB ALA A 77 -3.607 -10.639 3.902 1.00 0.00 C ATOM 0 H ALA A 77 -4.077 -9.165 1.767 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.739 -10.793 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.635 -10.927 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.397 -11.517 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.825 -9.895 3.750 1.00 0.00 H new ATOM 724 N VAL A 78 -6.415 -8.737 4.933 1.00 0.00 N ATOM 725 CA VAL A 78 -6.756 -7.547 5.764 1.00 0.00 C ATOM 726 C VAL A 78 -6.223 -7.737 7.185 1.00 0.00 C ATOM 727 O VAL A 78 -6.935 -8.159 8.074 1.00 0.00 O ATOM 728 CB VAL A 78 -8.275 -7.373 5.810 1.00 0.00 C ATOM 729 CG1 VAL A 78 -8.613 -5.919 6.146 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.872 -7.731 4.447 1.00 0.00 C ATOM 0 H VAL A 78 -7.143 -9.449 4.873 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.300 -6.660 5.323 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.691 -8.030 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.695 -5.795 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.189 -5.662 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.196 -5.263 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.954 -7.607 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.455 -7.075 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.633 -8.767 4.206 1.00 0.00 H new ATOM 740 N LYS A 79 -4.978 -7.418 7.408 1.00 0.00 N ATOM 741 CA LYS A 79 -4.406 -7.571 8.775 1.00 0.00 C ATOM 742 C LYS A 79 -4.599 -6.262 9.544 1.00 0.00 C ATOM 743 O LYS A 79 -4.967 -5.251 8.980 1.00 0.00 O ATOM 744 CB LYS A 79 -2.913 -7.891 8.674 1.00 0.00 C ATOM 745 CG LYS A 79 -2.700 -9.398 8.832 1.00 0.00 C ATOM 746 CD LYS A 79 -2.675 -9.758 10.319 1.00 0.00 C ATOM 747 CE LYS A 79 -2.227 -11.211 10.486 1.00 0.00 C ATOM 748 NZ LYS A 79 -2.190 -11.555 11.935 1.00 0.00 N ATOM 0 H LYS A 79 -4.333 -7.059 6.704 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.911 -8.384 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.523 -7.557 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.362 -7.353 9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.498 -9.943 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.764 -9.695 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.996 -9.093 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.665 -9.619 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.912 -11.877 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.241 -11.352 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.885 -12.543 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.520 -10.927 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.138 -11.435 12.345 1.00 0.00 H new ATOM 762 N ASP A 80 -4.358 -6.269 10.826 1.00 0.00 N ATOM 763 CA ASP A 80 -4.536 -5.020 11.619 1.00 0.00 C ATOM 764 C ASP A 80 -3.599 -3.934 11.083 1.00 0.00 C ATOM 765 O ASP A 80 -2.393 -4.029 11.195 1.00 0.00 O ATOM 766 CB ASP A 80 -4.212 -5.293 13.089 1.00 0.00 C ATOM 767 CG ASP A 80 -4.683 -4.114 13.942 1.00 0.00 C ATOM 768 OD1 ASP A 80 -4.876 -3.045 13.386 1.00 0.00 O ATOM 769 OD2 ASP A 80 -4.843 -4.299 15.137 1.00 0.00 O ATOM 0 H ASP A 80 -4.047 -7.082 11.357 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.569 -4.683 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.701 -6.211 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.139 -5.441 13.215 1.00 0.00 H new ATOM 774 N GLY A 81 -4.147 -2.901 10.504 1.00 0.00 N ATOM 775 CA GLY A 81 -3.292 -1.806 9.963 1.00 0.00 C ATOM 776 C GLY A 81 -2.220 -2.395 9.044 1.00 0.00 C ATOM 777 O GLY A 81 -1.151 -1.840 8.887 1.00 0.00 O ATOM 0 H GLY A 81 -5.151 -2.768 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.904 -1.092 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.823 -1.260 10.781 1.00 0.00 H new ATOM 781 N VAL A 82 -2.495 -3.515 8.434 1.00 0.00 N ATOM 782 CA VAL A 82 -1.488 -4.134 7.528 1.00 0.00 C ATOM 783 C VAL A 82 -2.196 -4.738 6.312 1.00 0.00 C ATOM 784 O VAL A 82 -2.554 -5.899 6.305 1.00 0.00 O ATOM 785 CB VAL A 82 -0.735 -5.233 8.280 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.071 -6.074 7.288 1.00 0.00 C ATOM 787 CG2 VAL A 82 0.216 -4.597 9.296 1.00 0.00 C ATOM 0 H VAL A 82 -3.372 -4.027 8.524 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.783 -3.373 7.194 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.451 -5.870 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.607 -6.856 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.605 -6.529 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.786 -5.437 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.753 -5.380 9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.930 -3.958 8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.356 -3.999 10.005 1.00 0.00 H new ATOM 797 N ILE A 83 -2.397 -3.961 5.282 1.00 0.00 N ATOM 798 CA ILE A 83 -3.079 -4.496 4.069 1.00 0.00 C ATOM 799 C ILE A 83 -2.054 -5.213 3.187 1.00 0.00 C ATOM 800 O ILE A 83 -1.285 -4.591 2.481 1.00 0.00 O ATOM 801 CB ILE A 83 -3.711 -3.344 3.288 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.312 -2.332 4.268 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.815 -3.888 2.379 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.156 -3.069 5.310 1.00 0.00 C ATOM 0 H ILE A 83 -2.119 -2.981 5.228 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.857 -5.198 4.367 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.948 -2.856 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.518 -1.770 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.927 -1.611 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.266 -3.066 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.389 -4.609 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.578 -4.377 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.584 -2.349 6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.959 -3.611 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.527 -3.773 5.855 1.00 0.00 H new ATOM 816 N GLU A 84 -2.035 -6.518 3.225 1.00 0.00 N ATOM 817 CA GLU A 84 -1.059 -7.276 2.393 1.00 0.00 C ATOM 818 C GLU A 84 -1.603 -7.431 0.971 1.00 0.00 C ATOM 819 O GLU A 84 -2.705 -7.899 0.765 1.00 0.00 O ATOM 820 CB GLU A 84 -0.836 -8.660 3.008 1.00 0.00 C ATOM 821 CG GLU A 84 0.611 -9.098 2.771 1.00 0.00 C ATOM 822 CD GLU A 84 0.648 -10.177 1.687 1.00 0.00 C ATOM 823 OE1 GLU A 84 0.444 -11.332 2.022 1.00 0.00 O ATOM 824 OE2 GLU A 84 0.877 -9.829 0.541 1.00 0.00 O ATOM 0 H GLU A 84 -2.654 -7.092 3.797 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.114 -6.734 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.048 -8.633 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.523 -9.381 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.216 -8.243 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.042 -9.482 3.696 1.00 0.00 H new ATOM 831 N ILE A 85 -0.837 -7.044 -0.012 1.00 0.00 N ATOM 832 CA ILE A 85 -1.307 -7.172 -1.421 1.00 0.00 C ATOM 833 C ILE A 85 -0.190 -7.774 -2.277 1.00 0.00 C ATOM 834 O ILE A 85 0.820 -7.147 -2.526 1.00 0.00 O ATOM 835 CB ILE A 85 -1.675 -5.790 -1.964 1.00 0.00 C ATOM 836 CG1 ILE A 85 -2.951 -5.296 -1.279 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.910 -5.881 -3.473 1.00 0.00 C ATOM 838 CD1 ILE A 85 -4.146 -6.113 -1.775 1.00 0.00 C ATOM 0 H ILE A 85 0.095 -6.644 0.100 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.182 -7.821 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.861 -5.093 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.856 -5.391 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.106 -4.239 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.172 -4.897 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.002 -6.233 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.724 -6.578 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.055 -5.761 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.245 -5.995 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.991 -7.165 -1.538 1.00 0.00 H new ATOM 850 N GLN A 86 -0.363 -8.987 -2.728 1.00 0.00 N ATOM 851 CA GLN A 86 0.691 -9.626 -3.566 1.00 0.00 C ATOM 852 C GLN A 86 0.698 -8.987 -4.956 1.00 0.00 C ATOM 853 O GLN A 86 -0.324 -8.877 -5.605 1.00 0.00 O ATOM 854 CB GLN A 86 0.402 -11.124 -3.694 1.00 0.00 C ATOM 855 CG GLN A 86 1.342 -11.906 -2.774 1.00 0.00 C ATOM 856 CD GLN A 86 1.717 -13.233 -3.437 1.00 0.00 C ATOM 857 OE1 GLN A 86 1.613 -13.376 -4.639 1.00 0.00 O ATOM 858 NE2 GLN A 86 2.152 -14.217 -2.699 1.00 0.00 N ATOM 0 H GLN A 86 -1.187 -9.562 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 86 1.664 -9.482 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.636 -11.329 -3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.537 -11.444 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.240 -11.322 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.859 -12.090 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.240 -14.098 -1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.405 -15.106 -3.131 1.00 0.00 H new ATOM 867 N GLY A 87 1.842 -8.563 -5.419 1.00 0.00 N ATOM 868 CA GLY A 87 1.914 -7.930 -6.767 1.00 0.00 C ATOM 869 C GLY A 87 2.965 -6.820 -6.756 1.00 0.00 C ATOM 870 O GLY A 87 3.044 -6.036 -5.831 1.00 0.00 O ATOM 0 H GLY A 87 2.730 -8.627 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.168 -8.678 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.941 -7.521 -7.040 1.00 0.00 H new ATOM 874 N ASP A 88 3.774 -6.746 -7.777 1.00 0.00 N ATOM 875 CA ASP A 88 4.820 -5.686 -7.823 1.00 0.00 C ATOM 876 C ASP A 88 4.304 -4.496 -8.635 1.00 0.00 C ATOM 877 O ASP A 88 4.487 -4.424 -9.834 1.00 0.00 O ATOM 878 CB ASP A 88 6.084 -6.243 -8.482 1.00 0.00 C ATOM 879 CG ASP A 88 7.007 -6.823 -7.409 1.00 0.00 C ATOM 880 OD1 ASP A 88 6.501 -7.220 -6.372 1.00 0.00 O ATOM 881 OD2 ASP A 88 8.204 -6.861 -7.642 1.00 0.00 O ATOM 0 H ASP A 88 3.756 -7.373 -8.581 1.00 0.00 H new ATOM 0 HA ASP A 88 5.053 -5.361 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.820 -7.015 -9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.598 -5.454 -9.031 1.00 0.00 H new ATOM 886 N LYS A 89 3.659 -3.561 -7.992 1.00 0.00 N ATOM 887 CA LYS A 89 3.132 -2.378 -8.728 1.00 0.00 C ATOM 888 C LYS A 89 3.241 -1.135 -7.842 1.00 0.00 C ATOM 889 O LYS A 89 2.277 -0.427 -7.628 1.00 0.00 O ATOM 890 CB LYS A 89 1.665 -2.617 -9.093 1.00 0.00 C ATOM 891 CG LYS A 89 1.533 -2.758 -10.611 1.00 0.00 C ATOM 892 CD LYS A 89 0.226 -3.479 -10.946 1.00 0.00 C ATOM 893 CE LYS A 89 -0.230 -3.083 -12.352 1.00 0.00 C ATOM 894 NZ LYS A 89 -0.924 -4.237 -12.992 1.00 0.00 N ATOM 0 H LYS A 89 3.474 -3.566 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 89 3.713 -2.227 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.299 -3.518 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.052 -1.788 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.549 -1.775 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.381 -3.315 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.369 -4.558 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.542 -3.220 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.900 -2.225 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.628 -2.782 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.234 -3.969 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.271 -5.044 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.752 -4.504 -12.422 1.00 0.00 H new ATOM 908 N ARG A 90 4.409 -0.863 -7.326 1.00 0.00 N ATOM 909 CA ARG A 90 4.578 0.334 -6.456 1.00 0.00 C ATOM 910 C ARG A 90 4.318 1.600 -7.274 1.00 0.00 C ATOM 911 O ARG A 90 3.697 2.535 -6.809 1.00 0.00 O ATOM 912 CB ARG A 90 6.005 0.368 -5.904 1.00 0.00 C ATOM 913 CG ARG A 90 6.242 1.695 -5.181 1.00 0.00 C ATOM 914 CD ARG A 90 7.711 1.797 -4.766 1.00 0.00 C ATOM 915 NE ARG A 90 7.858 2.843 -3.714 1.00 0.00 N ATOM 916 CZ ARG A 90 9.045 3.172 -3.284 1.00 0.00 C ATOM 917 NH1 ARG A 90 9.580 2.523 -2.286 1.00 0.00 N ATOM 918 NH2 ARG A 90 9.695 4.152 -3.849 1.00 0.00 N ATOM 0 H ARG A 90 5.253 -1.418 -7.470 1.00 0.00 H new ATOM 0 HA ARG A 90 3.870 0.284 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.161 -0.465 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.723 0.251 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.979 2.528 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.600 1.762 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.061 0.836 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.328 2.045 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 90 7.031 3.301 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.070 1.759 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.508 2.780 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.275 4.661 -4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.623 4.409 -3.513 1.00 0.00 H new ATOM 932 N ASP A 91 4.789 1.639 -8.491 1.00 0.00 N ATOM 933 CA ASP A 91 4.569 2.845 -9.337 1.00 0.00 C ATOM 934 C ASP A 91 3.074 3.166 -9.388 1.00 0.00 C ATOM 935 O ASP A 91 2.669 4.305 -9.268 1.00 0.00 O ATOM 936 CB ASP A 91 5.081 2.575 -10.754 1.00 0.00 C ATOM 937 CG ASP A 91 5.048 3.872 -11.564 1.00 0.00 C ATOM 938 OD1 ASP A 91 4.680 4.890 -11.002 1.00 0.00 O ATOM 939 OD2 ASP A 91 5.391 3.825 -12.734 1.00 0.00 O ATOM 0 H ASP A 91 5.317 0.887 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 91 5.108 3.691 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.097 2.183 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.465 1.817 -11.237 1.00 0.00 H new ATOM 944 N LEU A 92 2.250 2.169 -9.566 1.00 0.00 N ATOM 945 CA LEU A 92 0.782 2.416 -9.626 1.00 0.00 C ATOM 946 C LEU A 92 0.251 2.688 -8.217 1.00 0.00 C ATOM 947 O LEU A 92 -0.746 3.361 -8.039 1.00 0.00 O ATOM 948 CB LEU A 92 0.082 1.184 -10.206 1.00 0.00 C ATOM 949 CG LEU A 92 -1.433 1.387 -10.161 1.00 0.00 C ATOM 950 CD1 LEU A 92 -2.047 0.950 -11.492 1.00 0.00 C ATOM 951 CD2 LEU A 92 -2.025 0.547 -9.027 1.00 0.00 C ATOM 0 H LEU A 92 2.531 1.194 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 92 0.585 3.280 -10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.407 1.019 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.357 0.295 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.653 2.440 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.127 1.095 -11.460 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.625 1.547 -12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.827 -0.103 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.105 0.691 -8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.804 -0.506 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.588 0.858 -8.078 1.00 0.00 H new ATOM 963 N LEU A 93 0.907 2.172 -7.215 1.00 0.00 N ATOM 964 CA LEU A 93 0.437 2.402 -5.819 1.00 0.00 C ATOM 965 C LEU A 93 0.470 3.900 -5.510 1.00 0.00 C ATOM 966 O LEU A 93 -0.440 4.441 -4.914 1.00 0.00 O ATOM 967 CB LEU A 93 1.354 1.660 -4.844 1.00 0.00 C ATOM 968 CG LEU A 93 0.954 0.185 -4.789 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.091 -0.629 -4.169 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.307 0.031 -3.936 1.00 0.00 C ATOM 0 H LEU A 93 1.748 1.601 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.583 2.032 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.392 1.754 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.283 2.104 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 93 0.757 -0.176 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.806 -1.680 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.990 -0.519 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.288 -0.268 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.593 -1.020 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.110 0.392 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.118 0.611 -4.377 1.00 0.00 H new ATOM 982 N LYS A 94 1.513 4.575 -5.910 1.00 0.00 N ATOM 983 CA LYS A 94 1.604 6.037 -5.639 1.00 0.00 C ATOM 984 C LYS A 94 0.531 6.775 -6.441 1.00 0.00 C ATOM 985 O LYS A 94 0.082 7.839 -6.064 1.00 0.00 O ATOM 986 CB LYS A 94 2.988 6.546 -6.049 1.00 0.00 C ATOM 987 CG LYS A 94 3.041 8.067 -5.891 1.00 0.00 C ATOM 988 CD LYS A 94 4.452 8.564 -6.212 1.00 0.00 C ATOM 989 CE LYS A 94 4.366 9.880 -6.986 1.00 0.00 C ATOM 990 NZ LYS A 94 5.442 10.801 -6.522 1.00 0.00 N ATOM 0 H LYS A 94 2.306 4.177 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 94 1.449 6.219 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.756 6.079 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.197 6.270 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.318 8.538 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.768 8.347 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.017 8.708 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.987 7.818 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.469 9.693 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.389 10.340 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.384 11.696 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.324 10.989 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.370 10.362 -6.688 1.00 0.00 H new ATOM 1004 N SER A 95 0.116 6.219 -7.547 1.00 0.00 N ATOM 1005 CA SER A 95 -0.928 6.890 -8.372 1.00 0.00 C ATOM 1006 C SER A 95 -2.274 6.822 -7.648 1.00 0.00 C ATOM 1007 O SER A 95 -2.854 7.831 -7.298 1.00 0.00 O ATOM 1008 CB SER A 95 -1.040 6.185 -9.723 1.00 0.00 C ATOM 1009 OG SER A 95 -1.459 7.121 -10.708 1.00 0.00 O ATOM 0 H SER A 95 0.455 5.330 -7.914 1.00 0.00 H new ATOM 0 HA SER A 95 -0.652 7.933 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.079 5.753 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.753 5.363 -9.659 1.00 0.00 H new ATOM 0 HG SER A 95 -1.530 6.672 -11.576 1.00 0.00 H new ATOM 1015 N LEU A 96 -2.777 5.640 -7.422 1.00 0.00 N ATOM 1016 CA LEU A 96 -4.086 5.507 -6.723 1.00 0.00 C ATOM 1017 C LEU A 96 -4.029 6.247 -5.385 1.00 0.00 C ATOM 1018 O LEU A 96 -5.020 6.767 -4.909 1.00 0.00 O ATOM 1019 CB LEU A 96 -4.384 4.027 -6.474 1.00 0.00 C ATOM 1020 CG LEU A 96 -3.260 3.415 -5.636 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.518 3.691 -4.154 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -3.215 1.904 -5.871 1.00 0.00 C ATOM 0 H LEU A 96 -2.338 4.760 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.873 5.937 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.338 3.919 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.474 3.498 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.308 3.859 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.717 3.255 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.551 4.767 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.470 3.248 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.414 1.467 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.168 1.462 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.031 1.705 -6.927 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.878 6.299 -4.772 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.761 7.004 -3.465 1.00 0.00 C ATOM 1036 C LEU A 97 -2.966 8.506 -3.673 1.00 0.00 C ATOM 1037 O LEU A 97 -3.708 9.146 -2.954 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.371 6.756 -2.875 1.00 0.00 C ATOM 1039 CG LEU A 97 -1.483 6.585 -1.359 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.073 7.855 -0.743 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.396 5.397 -1.047 1.00 0.00 C ATOM 0 H LEU A 97 -2.014 5.884 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.520 6.626 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.929 5.865 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.710 7.591 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.493 6.405 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.153 7.732 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.424 8.702 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.063 8.036 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.477 5.274 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.386 5.579 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.977 4.491 -1.485 1.00 0.00 H new ATOM 1053 N GLU A 98 -2.313 9.075 -4.649 1.00 0.00 N ATOM 1054 CA GLU A 98 -2.472 10.535 -4.900 1.00 0.00 C ATOM 1055 C GLU A 98 -3.877 10.813 -5.437 1.00 0.00 C ATOM 1056 O GLU A 98 -4.334 11.939 -5.455 1.00 0.00 O ATOM 1057 CB GLU A 98 -1.434 10.991 -5.928 1.00 0.00 C ATOM 1058 CG GLU A 98 -0.936 12.391 -5.564 1.00 0.00 C ATOM 1059 CD GLU A 98 0.535 12.319 -5.150 1.00 0.00 C ATOM 1060 OE1 GLU A 98 0.942 11.277 -4.663 1.00 0.00 O ATOM 1061 OE2 GLU A 98 1.229 13.306 -5.327 1.00 0.00 O ATOM 0 H GLU A 98 -1.677 8.592 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.326 11.081 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.599 10.291 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.873 10.998 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.053 13.062 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.534 12.801 -4.750 1.00 0.00 H new ATOM 1068 N ALA A 99 -4.567 9.796 -5.875 1.00 0.00 N ATOM 1069 CA ALA A 99 -5.942 10.004 -6.411 1.00 0.00 C ATOM 1070 C ALA A 99 -6.885 10.377 -5.265 1.00 0.00 C ATOM 1071 O ALA A 99 -7.998 10.815 -5.482 1.00 0.00 O ATOM 1072 CB ALA A 99 -6.431 8.715 -7.075 1.00 0.00 C ATOM 0 H ALA A 99 -4.238 8.830 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.928 10.809 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.437 8.867 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.759 8.449 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.446 7.910 -6.340 1.00 0.00 H new ATOM 1078 N LYS A 100 -6.450 10.207 -4.046 1.00 0.00 N ATOM 1079 CA LYS A 100 -7.323 10.552 -2.889 1.00 0.00 C ATOM 1080 C LYS A 100 -7.183 12.042 -2.570 1.00 0.00 C ATOM 1081 O LYS A 100 -8.138 12.704 -2.216 1.00 0.00 O ATOM 1082 CB LYS A 100 -6.904 9.727 -1.670 1.00 0.00 C ATOM 1083 CG LYS A 100 -7.933 8.622 -1.424 1.00 0.00 C ATOM 1084 CD LYS A 100 -7.223 7.370 -0.905 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.638 6.162 -1.747 1.00 0.00 C ATOM 1086 NZ LYS A 100 -7.064 6.289 -3.116 1.00 0.00 N ATOM 0 H LYS A 100 -5.528 9.844 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.361 10.330 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.919 9.291 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.827 10.369 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.677 8.957 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.466 8.394 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.143 7.506 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.478 7.202 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.289 5.242 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.725 6.099 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.124 5.373 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.599 7.002 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.068 6.581 -3.049 1.00 0.00 H new ATOM 1100 N GLY A 101 -5.998 12.575 -2.691 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.798 14.022 -2.393 1.00 0.00 C ATOM 1102 C GLY A 101 -5.172 14.177 -1.007 1.00 0.00 C ATOM 1103 O GLY A 101 -5.286 15.209 -0.375 1.00 0.00 O ATOM 0 H GLY A 101 -5.160 12.072 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.153 14.473 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.752 14.547 -2.433 1.00 0.00 H new ATOM 1107 N MET A 102 -4.510 13.160 -0.527 1.00 0.00 N ATOM 1108 CA MET A 102 -3.877 13.250 0.819 1.00 0.00 C ATOM 1109 C MET A 102 -2.366 13.052 0.686 1.00 0.00 C ATOM 1110 O MET A 102 -1.833 12.985 -0.403 1.00 0.00 O ATOM 1111 CB MET A 102 -4.456 12.164 1.729 1.00 0.00 C ATOM 1112 CG MET A 102 -4.030 10.787 1.215 1.00 0.00 C ATOM 1113 SD MET A 102 -5.415 9.631 1.367 1.00 0.00 S ATOM 1114 CE MET A 102 -4.482 8.250 2.070 1.00 0.00 C ATOM 0 H MET A 102 -4.380 12.270 -1.009 1.00 0.00 H new ATOM 0 HA MET A 102 -4.078 14.231 1.250 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.106 12.307 2.751 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.543 12.235 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.714 10.857 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.175 10.423 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.210 7.554 1.277 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.578 8.627 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.095 7.736 2.810 1.00 0.00 H new ATOM 1124 N LYS A 103 -1.671 12.959 1.787 1.00 0.00 N ATOM 1125 CA LYS A 103 -0.195 12.766 1.722 1.00 0.00 C ATOM 1126 C LYS A 103 0.120 11.273 1.610 1.00 0.00 C ATOM 1127 O LYS A 103 -0.705 10.431 1.905 1.00 0.00 O ATOM 1128 CB LYS A 103 0.449 13.330 2.990 1.00 0.00 C ATOM 1129 CG LYS A 103 1.527 14.347 2.607 1.00 0.00 C ATOM 1130 CD LYS A 103 2.125 14.959 3.875 1.00 0.00 C ATOM 1131 CE LYS A 103 3.308 15.854 3.501 1.00 0.00 C ATOM 1132 NZ LYS A 103 3.606 16.781 4.629 1.00 0.00 N ATOM 0 H LYS A 103 -2.062 13.008 2.728 1.00 0.00 H new ATOM 0 HA LYS A 103 0.202 13.287 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.308 13.804 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.887 12.523 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.308 13.862 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.098 15.129 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.369 15.540 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.452 14.170 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.183 15.244 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.077 16.423 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.410 17.390 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.772 17.372 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.844 16.229 5.478 1.00 0.00 H new ATOM 1146 N VAL A 104 1.308 10.938 1.187 1.00 0.00 N ATOM 1147 CA VAL A 104 1.674 9.500 1.057 1.00 0.00 C ATOM 1148 C VAL A 104 3.186 9.342 1.230 1.00 0.00 C ATOM 1149 O VAL A 104 3.949 10.250 0.967 1.00 0.00 O ATOM 1150 CB VAL A 104 1.263 8.991 -0.325 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.033 9.758 -1.402 1.00 0.00 C ATOM 1152 CG2 VAL A 104 1.584 7.499 -0.435 1.00 0.00 C ATOM 0 H VAL A 104 2.041 11.598 0.926 1.00 0.00 H new ATOM 0 HA VAL A 104 1.158 8.923 1.824 1.00 0.00 H new ATOM 0 HB VAL A 104 0.193 9.145 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.740 9.395 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.805 10.821 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.103 9.605 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.291 7.135 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.654 7.346 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.036 6.951 0.332 1.00 0.00 H new ATOM 1162 N LYS A 105 3.626 8.195 1.670 1.00 0.00 N ATOM 1163 CA LYS A 105 5.088 7.980 1.859 1.00 0.00 C ATOM 1164 C LYS A 105 5.497 6.654 1.213 1.00 0.00 C ATOM 1165 O LYS A 105 5.474 5.614 1.841 1.00 0.00 O ATOM 1166 CB LYS A 105 5.409 7.939 3.354 1.00 0.00 C ATOM 1167 CG LYS A 105 6.217 9.181 3.738 1.00 0.00 C ATOM 1168 CD LYS A 105 6.609 9.099 5.214 1.00 0.00 C ATOM 1169 CE LYS A 105 6.433 10.471 5.867 1.00 0.00 C ATOM 1170 NZ LYS A 105 6.331 10.308 7.345 1.00 0.00 N ATOM 0 H LYS A 105 3.036 7.397 1.907 1.00 0.00 H new ATOM 0 HA LYS A 105 5.638 8.797 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.487 7.899 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.974 7.037 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.110 9.253 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.629 10.081 3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.992 8.360 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.644 8.770 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.277 11.115 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.537 10.957 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.211 11.240 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.512 9.708 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.198 9.861 7.706 1.00 0.00 H new ATOM 1184 N LEU A 106 5.870 6.682 -0.037 1.00 0.00 N ATOM 1185 CA LEU A 106 6.280 5.423 -0.720 1.00 0.00 C ATOM 1186 C LEU A 106 7.394 4.747 0.082 1.00 0.00 C ATOM 1187 O LEU A 106 7.527 3.539 0.081 1.00 0.00 O ATOM 1188 CB LEU A 106 6.788 5.747 -2.126 1.00 0.00 C ATOM 1189 CG LEU A 106 5.602 5.852 -3.087 1.00 0.00 C ATOM 1190 CD1 LEU A 106 4.899 4.497 -3.180 1.00 0.00 C ATOM 1191 CD2 LEU A 106 4.617 6.901 -2.566 1.00 0.00 C ATOM 0 H LEU A 106 5.909 7.522 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 106 5.424 4.752 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.345 6.684 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.475 4.971 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 106 5.959 6.145 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.054 4.572 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.600 3.748 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.541 4.204 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.771 6.977 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.260 6.607 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.117 7.867 -2.498 1.00 0.00 H new ATOM 1203 N ALA A 107 8.196 5.516 0.766 1.00 0.00 N ATOM 1204 CA ALA A 107 9.300 4.916 1.567 1.00 0.00 C ATOM 1205 C ALA A 107 10.424 4.469 0.630 1.00 0.00 C ATOM 1206 O ALA A 107 10.479 3.329 0.212 1.00 0.00 O ATOM 1207 CB ALA A 107 8.770 3.708 2.342 1.00 0.00 C ATOM 0 H ALA A 107 8.135 6.533 0.805 1.00 0.00 H new ATOM 0 HA ALA A 107 9.685 5.656 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.577 3.269 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.969 4.027 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.385 2.967 1.642 1.00 0.00 H new