USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 6 THR OG1 : rot 22:sc= 0.747 USER MOD Single : A 7 TYR OH : rot 30:sc= -3.15! USER MOD Single : A 9 MET CE :methyl 145:sc= -12.8! (180deg=-14.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.85e-05) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.82 K(o=0.82,f=-0.91) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -0.0901 (180deg=-0.554) USER MOD Single : A 65 CYS SG : rot -23:sc= 0.099 USER MOD Single : A 68 ASN : amide:sc= -16.8! C(o=-17!,f=-19!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -170:sc= -0.428 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -178:sc= -17.9! (180deg=-18.4!) USER MOD Single : A 88 LYS NZ :NH3+ -128:sc= -3.63! (180deg=-5.08!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 147:sc=-0.00132 (180deg=-0.0343) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -8.37! C(o=-8.4!,f=-8.2!) USER MOD Single : A 105 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 6 -2.030 16.800 -5.830 1.00 0.00 N ATOM 68 CA THR A 6 -1.954 15.643 -4.954 1.00 0.00 C ATOM 69 C THR A 6 -2.803 14.498 -5.509 1.00 0.00 C ATOM 70 O THR A 6 -3.710 14.724 -6.308 1.00 0.00 O ATOM 71 CB THR A 6 -2.370 16.084 -3.550 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.534 17.494 -3.663 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.247 15.920 -2.526 1.00 0.00 C ATOM 0 HA THR A 6 -0.937 15.254 -4.899 1.00 0.00 H new ATOM 0 HB THR A 6 -3.237 15.506 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.694 17.731 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.597 16.248 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.952 14.872 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.390 16.523 -2.826 1.00 0.00 H new ATOM 81 N TYR A 7 -2.479 13.292 -5.063 1.00 0.00 N ATOM 82 CA TYR A 7 -3.200 12.111 -5.505 1.00 0.00 C ATOM 83 C TYR A 7 -3.616 11.246 -4.315 1.00 0.00 C ATOM 84 O TYR A 7 -3.545 11.684 -3.169 1.00 0.00 O ATOM 85 CB TYR A 7 -2.222 11.323 -6.378 1.00 0.00 C ATOM 86 CG TYR A 7 -1.806 12.047 -7.659 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.757 12.674 -8.438 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.479 12.076 -8.037 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.367 13.356 -9.644 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.087 12.759 -9.242 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.051 13.365 -9.987 1.00 0.00 C ATOM 92 OH TYR A 7 -0.682 14.011 -11.126 1.00 0.00 O ATOM 0 H TYR A 7 -1.726 13.108 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.106 12.392 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.329 11.099 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.677 10.369 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.796 12.653 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.266 11.586 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.102 13.849 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.948 12.790 -9.548 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.297 14.755 -11.294 1.00 0.00 H new ATOM 101 N ARG A 8 -4.041 10.031 -4.628 1.00 0.00 N ATOM 102 CA ARG A 8 -4.467 9.099 -3.599 1.00 0.00 C ATOM 103 C ARG A 8 -3.906 7.703 -3.878 1.00 0.00 C ATOM 104 O ARG A 8 -3.640 7.356 -5.028 1.00 0.00 O ATOM 105 CB ARG A 8 -5.994 9.021 -3.525 1.00 0.00 C ATOM 106 CG ARG A 8 -6.573 8.399 -4.798 1.00 0.00 C ATOM 107 CD ARG A 8 -7.139 7.006 -4.518 1.00 0.00 C ATOM 108 NE ARG A 8 -7.302 6.260 -5.788 1.00 0.00 N ATOM 109 CZ ARG A 8 -8.366 6.376 -6.594 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.367 7.206 -6.270 1.00 0.00 N ATOM 111 NH2 ARG A 8 -8.429 5.662 -7.727 1.00 0.00 N ATOM 0 H ARG A 8 -4.099 9.671 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.085 9.463 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.290 8.429 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.406 10.020 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.358 9.041 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.797 8.334 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.472 6.461 -3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.100 7.090 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.559 5.619 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.320 7.751 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.176 7.293 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.667 5.031 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.239 5.750 -8.341 1.00 0.00 H new ATOM 122 N MET A 9 -3.741 6.940 -2.807 1.00 0.00 N ATOM 123 CA MET A 9 -3.215 5.590 -2.923 1.00 0.00 C ATOM 124 C MET A 9 -4.238 4.561 -2.439 1.00 0.00 C ATOM 125 O MET A 9 -4.849 4.735 -1.386 1.00 0.00 O ATOM 126 CB MET A 9 -1.936 5.468 -2.095 1.00 0.00 C ATOM 127 CG MET A 9 -1.494 4.008 -1.979 1.00 0.00 C ATOM 128 SD MET A 9 -1.051 3.377 -3.589 1.00 0.00 S ATOM 129 CE MET A 9 0.581 2.745 -3.234 1.00 0.00 C ATOM 0 H MET A 9 -3.962 7.231 -1.855 1.00 0.00 H new ATOM 0 HA MET A 9 -2.998 5.393 -3.973 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.143 6.056 -2.556 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.102 5.881 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.644 3.929 -1.301 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.298 3.408 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.758 1.844 -3.821 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.326 3.498 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.656 2.507 -2.173 1.00 0.00 H new ATOM 137 N LEU A 10 -4.392 3.510 -3.231 1.00 0.00 N ATOM 138 CA LEU A 10 -5.331 2.453 -2.897 1.00 0.00 C ATOM 139 C LEU A 10 -4.554 1.208 -2.461 1.00 0.00 C ATOM 140 O LEU A 10 -3.663 0.747 -3.173 1.00 0.00 O ATOM 141 CB LEU A 10 -6.292 2.202 -4.061 1.00 0.00 C ATOM 142 CG LEU A 10 -5.652 2.082 -5.446 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.483 1.177 -6.357 1.00 0.00 C ATOM 144 CD2 LEU A 10 -5.422 3.463 -6.063 1.00 0.00 C ATOM 0 H LEU A 10 -3.882 3.368 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.957 2.750 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.846 1.285 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.019 3.014 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.675 1.613 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.006 1.109 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.552 0.182 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.484 1.594 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.966 3.351 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.376 3.981 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.759 4.043 -5.420 1.00 0.00 H new ATOM 155 N VAL A 11 -4.924 0.699 -1.294 1.00 0.00 N ATOM 156 CA VAL A 11 -4.273 -0.485 -0.756 1.00 0.00 C ATOM 157 C VAL A 11 -5.237 -1.670 -0.837 1.00 0.00 C ATOM 158 O VAL A 11 -6.310 -1.645 -0.237 1.00 0.00 O ATOM 159 CB VAL A 11 -3.781 -0.210 0.666 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.466 -1.515 1.400 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.566 0.720 0.656 1.00 0.00 C ATOM 0 H VAL A 11 -5.664 1.084 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.393 -0.740 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.583 0.293 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.118 -1.291 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.366 -2.128 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.689 -2.057 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.236 0.899 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.758 0.257 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.837 1.668 0.191 1.00 0.00 H new ATOM 171 N LEU A 12 -4.818 -2.683 -1.581 1.00 0.00 N ATOM 172 CA LEU A 12 -5.630 -3.876 -1.748 1.00 0.00 C ATOM 173 C LEU A 12 -4.943 -5.056 -1.060 1.00 0.00 C ATOM 174 O LEU A 12 -3.747 -5.277 -1.246 1.00 0.00 O ATOM 175 CB LEU A 12 -5.931 -4.118 -3.228 1.00 0.00 C ATOM 176 CG LEU A 12 -4.743 -3.986 -4.185 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.839 -5.005 -5.322 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.616 -2.554 -4.706 1.00 0.00 C ATOM 0 H LEU A 12 -3.926 -2.702 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.599 -3.746 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.348 -5.119 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.704 -3.416 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.831 -4.208 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.983 -4.890 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.843 -6.013 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.759 -4.839 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.765 -2.487 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.526 -2.279 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.466 -1.874 -3.868 1.00 0.00 H new ATOM 189 N LEU A 13 -5.727 -5.784 -0.279 1.00 0.00 N ATOM 190 CA LEU A 13 -5.209 -6.938 0.436 1.00 0.00 C ATOM 191 C LEU A 13 -6.175 -8.112 0.271 1.00 0.00 C ATOM 192 O LEU A 13 -7.391 -7.930 0.316 1.00 0.00 O ATOM 193 CB LEU A 13 -4.921 -6.578 1.896 1.00 0.00 C ATOM 194 CG LEU A 13 -4.839 -7.753 2.873 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.412 -8.297 2.958 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.387 -7.363 4.246 1.00 0.00 C ATOM 0 H LEU A 13 -6.718 -5.597 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.254 -7.250 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.979 -6.032 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.699 -5.897 2.242 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.468 -8.558 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.382 -9.131 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.094 -8.639 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.742 -7.509 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.317 -8.216 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.805 -6.533 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.430 -7.061 4.149 1.00 0.00 H new ATOM 220 N ASP A 15 -8.031 -11.227 1.521 1.00 0.00 N ATOM 221 CA ASP A 15 -8.501 -11.789 2.776 1.00 0.00 C ATOM 222 C ASP A 15 -9.208 -13.118 2.500 1.00 0.00 C ATOM 223 O ASP A 15 -10.147 -13.173 1.707 1.00 0.00 O ATOM 224 CB ASP A 15 -9.503 -10.855 3.457 1.00 0.00 C ATOM 225 CG ASP A 15 -9.868 -11.235 4.893 1.00 0.00 C ATOM 226 OD1 ASP A 15 -10.395 -12.356 5.066 1.00 0.00 O ATOM 227 OD2 ASP A 15 -9.614 -10.397 5.785 1.00 0.00 O ATOM 0 HA ASP A 15 -7.638 -11.929 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.093 -9.845 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.415 -10.829 2.861 1.00 0.00 H new ATOM 231 N ASP A 16 -8.730 -14.157 3.171 1.00 0.00 N ATOM 232 CA ASP A 16 -9.304 -15.480 3.008 1.00 0.00 C ATOM 233 C ASP A 16 -9.928 -15.928 4.330 1.00 0.00 C ATOM 234 O ASP A 16 -9.226 -16.094 5.328 1.00 0.00 O ATOM 235 CB ASP A 16 -8.231 -16.503 2.622 1.00 0.00 C ATOM 236 CG ASP A 16 -8.744 -17.713 1.838 1.00 0.00 C ATOM 237 OD1 ASP A 16 -9.827 -18.213 2.212 1.00 0.00 O ATOM 238 OD2 ASP A 16 -8.041 -18.111 0.886 1.00 0.00 O ATOM 0 H ASP A 16 -7.952 -14.108 3.828 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.053 -15.426 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.468 -16.000 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.744 -16.857 3.531 1.00 0.00 H new ATOM 242 N THR A 17 -11.240 -16.111 4.298 1.00 0.00 N ATOM 243 CA THR A 17 -11.967 -16.534 5.483 1.00 0.00 C ATOM 244 C THR A 17 -12.443 -17.980 5.329 1.00 0.00 C ATOM 245 O THR A 17 -12.896 -18.377 4.255 1.00 0.00 O ATOM 246 CB THR A 17 -13.106 -15.541 5.719 1.00 0.00 C ATOM 247 OG1 THR A 17 -12.713 -14.833 6.890 1.00 0.00 O ATOM 248 CG2 THR A 17 -14.411 -16.232 6.122 1.00 0.00 C ATOM 0 H THR A 17 -11.819 -15.974 3.469 1.00 0.00 H new ATOM 0 HA THR A 17 -11.325 -16.529 6.364 1.00 0.00 H new ATOM 0 HB THR A 17 -13.269 -14.955 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.396 -14.166 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.187 -15.482 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.720 -16.915 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.257 -16.791 7.045 1.00 0.00 H new ATOM 256 N LYS A 18 -12.324 -18.728 6.415 1.00 0.00 N ATOM 257 CA LYS A 18 -12.737 -20.122 6.413 1.00 0.00 C ATOM 258 C LYS A 18 -12.662 -20.672 7.838 1.00 0.00 C ATOM 259 O LYS A 18 -12.330 -21.840 8.039 1.00 0.00 O ATOM 260 CB LYS A 18 -11.917 -20.922 5.400 1.00 0.00 C ATOM 261 CG LYS A 18 -10.421 -20.826 5.707 1.00 0.00 C ATOM 262 CD LYS A 18 -9.757 -22.203 5.644 1.00 0.00 C ATOM 263 CE LYS A 18 -8.250 -22.075 5.413 1.00 0.00 C ATOM 264 NZ LYS A 18 -7.745 -23.231 4.637 1.00 0.00 N ATOM 0 H LYS A 18 -11.948 -18.396 7.303 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.774 -20.213 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.229 -21.966 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.110 -20.549 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.942 -20.155 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.277 -20.394 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.942 -22.743 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.203 -22.789 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.035 -21.149 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.733 -22.018 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.721 -23.129 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.933 -24.110 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.226 -23.267 3.716 1.00 0.00 H new ATOM 274 N ILE A 19 -12.975 -19.807 8.791 1.00 0.00 N ATOM 275 CA ILE A 19 -12.948 -20.192 10.191 1.00 0.00 C ATOM 276 C ILE A 19 -14.379 -20.242 10.730 1.00 0.00 C ATOM 277 O ILE A 19 -15.196 -19.381 10.410 1.00 0.00 O ATOM 278 CB ILE A 19 -12.024 -19.267 10.984 1.00 0.00 C ATOM 279 CG1 ILE A 19 -10.594 -19.323 10.443 1.00 0.00 C ATOM 280 CG2 ILE A 19 -12.083 -19.583 12.480 1.00 0.00 C ATOM 281 CD1 ILE A 19 -9.949 -20.678 10.741 1.00 0.00 C ATOM 0 H ILE A 19 -13.249 -18.839 8.621 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.530 -21.193 10.302 1.00 0.00 H new ATOM 0 HB ILE A 19 -12.376 -18.243 10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.601 -19.148 9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.000 -18.527 10.892 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.417 -18.911 13.020 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.103 -19.450 12.840 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.771 -20.614 12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.933 -20.692 10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.922 -20.839 11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.532 -21.470 10.271 1.00 0.00 H new ATOM 292 N ASN A 20 -14.638 -21.259 11.539 1.00 0.00 N ATOM 293 CA ASN A 20 -15.957 -21.433 12.124 1.00 0.00 C ATOM 294 C ASN A 20 -16.249 -20.263 13.067 1.00 0.00 C ATOM 295 O ASN A 20 -15.679 -19.183 12.918 1.00 0.00 O ATOM 296 CB ASN A 20 -16.032 -22.726 12.938 1.00 0.00 C ATOM 297 CG ASN A 20 -15.276 -23.859 12.241 1.00 0.00 C ATOM 298 OD1 ASN A 20 -15.285 -23.989 11.027 1.00 0.00 O ATOM 299 ND2 ASN A 20 -14.622 -24.665 13.071 1.00 0.00 N ATOM 0 H ASN A 20 -13.957 -21.971 11.803 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.684 -21.475 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.612 -22.560 13.930 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.075 -23.012 13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.085 -25.450 12.702 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.657 -24.499 14.077 1.00 0.00 H new ATOM 305 N LYS A 21 -17.136 -20.518 14.017 1.00 0.00 N ATOM 306 CA LYS A 21 -17.510 -19.501 14.984 1.00 0.00 C ATOM 307 C LYS A 21 -16.316 -19.201 15.892 1.00 0.00 C ATOM 308 O LYS A 21 -16.346 -18.247 16.669 1.00 0.00 O ATOM 309 CB LYS A 21 -18.770 -19.920 15.743 1.00 0.00 C ATOM 310 CG LYS A 21 -19.580 -18.697 16.183 1.00 0.00 C ATOM 311 CD LYS A 21 -19.601 -18.574 17.707 1.00 0.00 C ATOM 312 CE LYS A 21 -19.666 -17.106 18.136 1.00 0.00 C ATOM 313 NZ LYS A 21 -20.936 -16.828 18.842 1.00 0.00 N ATOM 0 H LYS A 21 -17.607 -21.415 14.138 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.766 -18.571 14.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.385 -20.559 15.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.493 -20.510 16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.150 -17.795 15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.600 -18.777 15.807 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.460 -19.112 18.107 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.709 -19.040 18.126 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.823 -16.874 18.787 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.581 -16.461 17.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.964 -15.828 19.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.736 -17.031 18.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.002 -17.430 19.688 1.00 0.00 H new ATOM 323 N GLU A 22 -15.293 -20.032 15.764 1.00 0.00 N ATOM 324 CA GLU A 22 -14.092 -19.871 16.566 1.00 0.00 C ATOM 325 C GLU A 22 -13.462 -18.501 16.305 1.00 0.00 C ATOM 326 O GLU A 22 -12.649 -18.027 17.097 1.00 0.00 O ATOM 327 CB GLU A 22 -13.092 -20.996 16.289 1.00 0.00 C ATOM 328 CG GLU A 22 -11.874 -20.884 17.207 1.00 0.00 C ATOM 329 CD GLU A 22 -12.255 -21.173 18.661 1.00 0.00 C ATOM 330 OE1 GLU A 22 -12.349 -22.373 18.995 1.00 0.00 O ATOM 331 OE2 GLU A 22 -12.444 -20.186 19.405 1.00 0.00 O ATOM 0 H GLU A 22 -15.271 -20.820 15.116 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.370 -19.929 17.618 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.575 -21.962 16.436 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.772 -20.955 15.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.104 -21.584 16.883 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.447 -19.884 17.131 1.00 0.00 H new ATOM 336 N ASP A 23 -13.861 -17.903 15.193 1.00 0.00 N ATOM 337 CA ASP A 23 -13.347 -16.597 14.819 1.00 0.00 C ATOM 338 C ASP A 23 -14.437 -15.816 14.082 1.00 0.00 C ATOM 339 O ASP A 23 -14.921 -14.798 14.577 1.00 0.00 O ATOM 340 CB ASP A 23 -12.144 -16.726 13.882 1.00 0.00 C ATOM 341 CG ASP A 23 -11.148 -15.567 13.945 1.00 0.00 C ATOM 342 OD1 ASP A 23 -11.618 -14.423 14.126 1.00 0.00 O ATOM 343 OD2 ASP A 23 -9.937 -15.851 13.812 1.00 0.00 O ATOM 0 H ASP A 23 -14.535 -18.299 14.538 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.042 -16.082 15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.617 -17.651 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.508 -16.817 12.859 1.00 0.00 H new ATOM 347 N GLU A 24 -14.792 -16.320 12.910 1.00 0.00 N ATOM 348 CA GLU A 24 -15.818 -15.684 12.101 1.00 0.00 C ATOM 349 C GLU A 24 -16.458 -16.703 11.157 1.00 0.00 C ATOM 350 O GLU A 24 -15.867 -17.074 10.144 1.00 0.00 O ATOM 351 CB GLU A 24 -15.243 -14.499 11.319 1.00 0.00 C ATOM 352 CG GLU A 24 -15.147 -13.255 12.204 1.00 0.00 C ATOM 353 CD GLU A 24 -13.693 -12.969 12.592 1.00 0.00 C ATOM 354 OE1 GLU A 24 -12.816 -13.242 11.745 1.00 0.00 O ATOM 355 OE2 GLU A 24 -13.494 -12.484 13.727 1.00 0.00 O ATOM 0 H GLU A 24 -14.387 -17.162 12.501 1.00 0.00 H new ATOM 0 HA GLU A 24 -16.591 -15.299 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.255 -14.755 10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.874 -14.288 10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.562 -12.396 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.746 -13.397 13.103 1.00 0.00 H new ATOM 360 N LYS A 25 -17.660 -17.127 11.522 1.00 0.00 N ATOM 361 CA LYS A 25 -18.387 -18.096 10.720 1.00 0.00 C ATOM 362 C LYS A 25 -18.767 -17.461 9.381 1.00 0.00 C ATOM 363 O LYS A 25 -18.740 -18.126 8.345 1.00 0.00 O ATOM 364 CB LYS A 25 -19.583 -18.646 11.500 1.00 0.00 C ATOM 365 CG LYS A 25 -20.340 -19.691 10.677 1.00 0.00 C ATOM 366 CD LYS A 25 -19.966 -21.109 11.116 1.00 0.00 C ATOM 367 CE LYS A 25 -21.214 -21.981 11.269 1.00 0.00 C ATOM 368 NZ LYS A 25 -21.950 -21.620 12.500 1.00 0.00 N ATOM 0 H LYS A 25 -18.148 -16.817 12.362 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.756 -18.957 10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.239 -19.092 12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.255 -17.830 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.414 -19.542 10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.112 -19.562 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.293 -21.555 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.426 -21.070 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.861 -21.855 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.928 -23.032 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.785 -22.233 12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.330 -21.746 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.254 -20.627 12.444 1.00 0.00 H new ATOM 378 N PHE A 26 -19.109 -16.182 9.444 1.00 0.00 N ATOM 379 CA PHE A 26 -19.492 -15.451 8.249 1.00 0.00 C ATOM 380 C PHE A 26 -19.873 -14.007 8.588 1.00 0.00 C ATOM 381 O PHE A 26 -20.906 -13.513 8.141 1.00 0.00 O ATOM 382 CB PHE A 26 -20.713 -16.162 7.660 1.00 0.00 C ATOM 383 CG PHE A 26 -20.788 -16.110 6.133 1.00 0.00 C ATOM 384 CD1 PHE A 26 -19.890 -16.806 5.385 1.00 0.00 C ATOM 385 CD2 PHE A 26 -21.750 -15.368 5.525 1.00 0.00 C ATOM 386 CE1 PHE A 26 -19.958 -16.758 3.968 1.00 0.00 C ATOM 387 CE2 PHE A 26 -21.820 -15.320 4.107 1.00 0.00 C ATOM 388 CZ PHE A 26 -20.923 -16.017 3.358 1.00 0.00 C ATOM 0 H PHE A 26 -19.129 -15.634 10.304 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.659 -15.424 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -20.701 -17.205 7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -21.616 -15.713 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.125 -17.395 5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -22.462 -14.815 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.244 -17.309 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.585 -14.730 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.977 -15.982 2.280 1.00 0.00 H new ATOM 397 N LEU A 27 -19.015 -13.373 9.373 1.00 0.00 N ATOM 398 CA LEU A 27 -19.248 -11.998 9.779 1.00 0.00 C ATOM 399 C LEU A 27 -19.348 -11.114 8.533 1.00 0.00 C ATOM 400 O LEU A 27 -18.458 -11.127 7.685 1.00 0.00 O ATOM 401 CB LEU A 27 -18.177 -11.541 10.771 1.00 0.00 C ATOM 402 CG LEU A 27 -16.970 -10.818 10.170 1.00 0.00 C ATOM 403 CD1 LEU A 27 -16.289 -11.682 9.105 1.00 0.00 C ATOM 404 CD2 LEU A 27 -17.368 -9.446 9.625 1.00 0.00 C ATOM 0 H LEU A 27 -18.157 -13.786 9.739 1.00 0.00 H new ATOM 0 HA LEU A 27 -20.196 -11.914 10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -18.645 -10.880 11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.818 -12.414 11.315 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.242 -10.650 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.434 -11.146 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.949 -12.615 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.998 -11.902 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.492 -8.954 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -18.124 -9.568 8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.773 -8.837 10.433 1.00 0.00 H new ATOM 415 N LYS A 28 -20.441 -10.368 8.461 1.00 0.00 N ATOM 416 CA LYS A 28 -20.669 -9.480 7.335 1.00 0.00 C ATOM 417 C LYS A 28 -19.694 -8.303 7.414 1.00 0.00 C ATOM 418 O LYS A 28 -20.039 -7.240 7.928 1.00 0.00 O ATOM 419 CB LYS A 28 -22.139 -9.058 7.273 1.00 0.00 C ATOM 420 CG LYS A 28 -22.515 -8.204 8.485 1.00 0.00 C ATOM 421 CD LYS A 28 -23.733 -8.782 9.207 1.00 0.00 C ATOM 422 CE LYS A 28 -25.028 -8.409 8.486 1.00 0.00 C ATOM 423 NZ LYS A 28 -26.085 -8.062 9.462 1.00 0.00 N ATOM 0 H LYS A 28 -21.179 -10.361 9.165 1.00 0.00 H new ATOM 0 HA LYS A 28 -20.471 -9.997 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -22.322 -8.496 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -22.774 -9.943 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -21.671 -8.151 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -22.728 -7.184 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -23.645 -9.867 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -23.763 -8.410 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -24.850 -7.565 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -25.358 -9.242 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -26.957 -7.811 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -26.267 -8.877 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -25.774 -7.253 10.037 1.00 0.00 H new ATOM 433 N GLY A 29 -18.497 -8.533 6.897 1.00 0.00 N ATOM 434 CA GLY A 29 -17.469 -7.504 6.902 1.00 0.00 C ATOM 435 C GLY A 29 -16.320 -7.874 5.962 1.00 0.00 C ATOM 436 O GLY A 29 -15.794 -7.018 5.251 1.00 0.00 O ATOM 0 H GLY A 29 -18.215 -9.416 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.901 -6.551 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.087 -7.371 7.914 1.00 0.00 H new ATOM 557 N VAL A 38 -9.192 -1.367 -0.258 1.00 0.00 N ATOM 558 CA VAL A 38 -9.693 -1.364 1.107 1.00 0.00 C ATOM 559 C VAL A 38 -9.978 0.076 1.538 1.00 0.00 C ATOM 560 O VAL A 38 -10.941 0.332 2.258 1.00 0.00 O ATOM 561 CB VAL A 38 -8.703 -2.080 2.028 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.514 -1.177 2.362 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.395 -2.568 3.302 1.00 0.00 C ATOM 0 HA VAL A 38 -10.632 -1.914 1.171 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.322 -2.953 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.825 -1.710 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.998 -0.900 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.870 -0.277 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.669 -3.073 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.816 -1.716 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.193 -3.262 3.039 1.00 0.00 H new ATOM 573 N ASP A 39 -9.123 0.978 1.080 1.00 0.00 N ATOM 574 CA ASP A 39 -9.271 2.386 1.409 1.00 0.00 C ATOM 575 C ASP A 39 -8.306 3.209 0.555 1.00 0.00 C ATOM 576 O ASP A 39 -7.363 2.667 -0.022 1.00 0.00 O ATOM 577 CB ASP A 39 -8.939 2.645 2.880 1.00 0.00 C ATOM 578 CG ASP A 39 -10.143 2.960 3.770 1.00 0.00 C ATOM 579 OD1 ASP A 39 -11.020 3.713 3.292 1.00 0.00 O ATOM 580 OD2 ASP A 39 -10.159 2.441 4.907 1.00 0.00 O ATOM 0 H ASP A 39 -8.325 0.761 0.483 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.306 2.670 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.429 1.769 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.237 3.477 2.937 1.00 0.00 H new ATOM 584 N GLU A 40 -8.575 4.505 0.497 1.00 0.00 N ATOM 585 CA GLU A 40 -7.742 5.408 -0.279 1.00 0.00 C ATOM 586 C GLU A 40 -7.208 6.534 0.611 1.00 0.00 C ATOM 587 O GLU A 40 -7.944 7.088 1.425 1.00 0.00 O ATOM 588 CB GLU A 40 -8.512 5.973 -1.473 1.00 0.00 C ATOM 589 CG GLU A 40 -9.815 6.636 -1.022 1.00 0.00 C ATOM 590 CD GLU A 40 -9.868 8.100 -1.461 1.00 0.00 C ATOM 591 OE1 GLU A 40 -9.060 8.884 -0.919 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.715 8.403 -2.329 1.00 0.00 O ATOM 0 H GLU A 40 -9.358 4.951 0.975 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.894 4.845 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.893 6.700 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.733 5.173 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.665 6.097 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.901 6.575 0.063 1.00 0.00 H new ATOM 597 N LEU A 41 -5.931 6.835 0.426 1.00 0.00 N ATOM 598 CA LEU A 41 -5.289 7.881 1.202 1.00 0.00 C ATOM 599 C LEU A 41 -4.563 8.841 0.256 1.00 0.00 C ATOM 600 O LEU A 41 -4.021 8.418 -0.765 1.00 0.00 O ATOM 601 CB LEU A 41 -4.385 7.274 2.277 1.00 0.00 C ATOM 602 CG LEU A 41 -5.078 6.395 3.319 1.00 0.00 C ATOM 603 CD1 LEU A 41 -5.002 4.918 2.929 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.510 6.649 4.716 1.00 0.00 C ATOM 0 H LEU A 41 -5.324 6.372 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.034 8.467 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.616 6.680 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.876 8.086 2.796 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.133 6.666 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.502 4.315 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.492 4.770 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.958 4.614 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.020 6.011 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.444 6.423 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.661 7.694 4.985 1.00 0.00 H new ATOM 615 N ILE A 42 -4.573 10.111 0.631 1.00 0.00 N ATOM 616 CA ILE A 42 -3.923 11.133 -0.173 1.00 0.00 C ATOM 617 C ILE A 42 -2.462 11.263 0.262 1.00 0.00 C ATOM 618 O ILE A 42 -2.178 11.608 1.407 1.00 0.00 O ATOM 619 CB ILE A 42 -4.704 12.447 -0.105 1.00 0.00 C ATOM 620 CG1 ILE A 42 -6.197 12.210 -0.346 1.00 0.00 C ATOM 621 CG2 ILE A 42 -4.124 13.481 -1.070 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.458 11.797 -1.796 1.00 0.00 C ATOM 0 H ILE A 42 -5.020 10.456 1.480 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.920 10.846 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.601 12.854 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.559 11.434 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.755 13.118 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.698 14.405 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.084 13.679 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.176 13.097 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.526 11.635 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.116 12.586 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.918 10.876 -2.015 1.00 0.00 H new ATOM 633 N LEU A 43 -1.571 10.979 -0.678 1.00 0.00 N ATOM 634 CA LEU A 43 -0.146 11.062 -0.408 1.00 0.00 C ATOM 635 C LEU A 43 0.404 12.365 -0.989 1.00 0.00 C ATOM 636 O LEU A 43 -0.107 12.868 -1.989 1.00 0.00 O ATOM 637 CB LEU A 43 0.570 9.810 -0.918 1.00 0.00 C ATOM 638 CG LEU A 43 -0.332 8.658 -1.367 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.660 8.767 -2.858 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.291 7.305 -1.014 1.00 0.00 C ATOM 0 H LEU A 43 -1.809 10.691 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 43 0.037 11.090 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.206 10.095 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.227 9.444 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.275 8.730 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.302 7.936 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.175 9.709 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.263 8.734 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.370 6.503 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.256 7.208 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.431 7.239 0.065 1.00 0.00 H new ATOM 651 N PRO A 44 1.467 12.888 -0.322 1.00 0.00 N ATOM 652 CA PRO A 44 2.093 14.124 -0.762 1.00 0.00 C ATOM 653 C PRO A 44 2.946 13.893 -2.010 1.00 0.00 C ATOM 654 O PRO A 44 4.048 14.431 -2.122 1.00 0.00 O ATOM 655 CB PRO A 44 2.904 14.602 0.431 1.00 0.00 C ATOM 656 CG PRO A 44 3.077 13.388 1.331 1.00 0.00 C ATOM 657 CD PRO A 44 2.101 12.321 0.864 1.00 0.00 C ATOM 0 HA PRO A 44 1.366 14.879 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.870 14.994 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.390 15.407 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.101 13.018 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.885 13.653 2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.616 11.389 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.365 12.093 1.635 1.00 0.00 H new ATOM 662 N PHE A 45 2.406 13.093 -2.918 1.00 0.00 N ATOM 663 CA PHE A 45 3.105 12.783 -4.153 1.00 0.00 C ATOM 664 C PHE A 45 2.700 13.747 -5.269 1.00 0.00 C ATOM 665 O PHE A 45 1.514 14.002 -5.474 1.00 0.00 O ATOM 666 CB PHE A 45 2.700 11.361 -4.551 1.00 0.00 C ATOM 667 CG PHE A 45 3.007 11.013 -6.010 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.181 11.407 -6.570 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.104 10.309 -6.744 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.465 11.083 -7.923 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.389 9.984 -8.096 1.00 0.00 C ATOM 672 CZ PHE A 45 3.564 10.378 -8.658 1.00 0.00 C ATOM 0 H PHE A 45 1.492 12.650 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 45 4.181 12.873 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.215 10.652 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.632 11.235 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.897 11.966 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.171 9.997 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.397 11.397 -8.369 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.673 9.424 -8.679 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.781 10.131 -9.687 1.00 0.00 H new ATOM 681 N ASN A 46 3.707 14.256 -5.962 1.00 0.00 N ATOM 682 CA ASN A 46 3.471 15.187 -7.053 1.00 0.00 C ATOM 683 C ASN A 46 4.106 14.638 -8.331 1.00 0.00 C ATOM 684 O ASN A 46 4.969 13.763 -8.275 1.00 0.00 O ATOM 685 CB ASN A 46 4.100 16.551 -6.760 1.00 0.00 C ATOM 686 CG ASN A 46 3.031 17.579 -6.387 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.864 17.948 -5.236 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.318 18.018 -7.420 1.00 0.00 N ATOM 0 H ASN A 46 4.689 14.042 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 46 2.394 15.305 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.819 16.457 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.652 16.896 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.579 18.706 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.510 17.667 -8.358 1.00 0.00 H new ATOM 694 N VAL A 47 3.653 15.173 -9.456 1.00 0.00 N ATOM 695 CA VAL A 47 4.167 14.750 -10.748 1.00 0.00 C ATOM 696 C VAL A 47 5.565 15.336 -10.953 1.00 0.00 C ATOM 697 O VAL A 47 6.336 14.839 -11.774 1.00 0.00 O ATOM 698 CB VAL A 47 3.186 15.140 -11.855 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.661 14.624 -13.215 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.775 14.638 -11.540 1.00 0.00 C ATOM 0 H VAL A 47 2.935 15.896 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 47 4.262 13.665 -10.784 1.00 0.00 H new ATOM 0 HB VAL A 47 3.151 16.228 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.946 14.915 -13.984 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.637 15.052 -13.446 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.739 13.537 -13.185 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.098 14.929 -12.343 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.787 13.552 -11.451 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.434 15.075 -10.602 1.00 0.00 H new ATOM 710 N ASP A 48 5.851 16.383 -10.193 1.00 0.00 N ATOM 711 CA ASP A 48 7.143 17.042 -10.282 1.00 0.00 C ATOM 712 C ASP A 48 7.989 16.658 -9.066 1.00 0.00 C ATOM 713 O ASP A 48 8.713 17.491 -8.524 1.00 0.00 O ATOM 714 CB ASP A 48 6.986 18.563 -10.289 1.00 0.00 C ATOM 715 CG ASP A 48 8.195 19.336 -10.821 1.00 0.00 C ATOM 716 OD1 ASP A 48 9.191 19.418 -10.070 1.00 0.00 O ATOM 717 OD2 ASP A 48 8.097 19.826 -11.967 1.00 0.00 O ATOM 0 H ASP A 48 5.210 16.791 -9.513 1.00 0.00 H new ATOM 0 HA ASP A 48 7.621 16.726 -11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.115 18.820 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.779 18.896 -9.272 1.00 0.00 H new ATOM 721 N GLU A 49 7.869 15.400 -8.674 1.00 0.00 N ATOM 722 CA GLU A 49 8.615 14.895 -7.533 1.00 0.00 C ATOM 723 C GLU A 49 8.795 13.381 -7.642 1.00 0.00 C ATOM 724 O GLU A 49 8.769 12.674 -6.635 1.00 0.00 O ATOM 725 CB GLU A 49 7.928 15.273 -6.219 1.00 0.00 C ATOM 726 CG GLU A 49 8.429 16.626 -5.708 1.00 0.00 C ATOM 727 CD GLU A 49 8.615 16.602 -4.188 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.831 15.881 -3.532 1.00 0.00 O ATOM 729 OE2 GLU A 49 9.535 17.304 -3.718 1.00 0.00 O ATOM 0 H GLU A 49 7.266 14.713 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 49 9.602 15.358 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.849 15.313 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.119 14.504 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.375 16.874 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.719 17.407 -5.979 1.00 0.00 H new ATOM 734 N LEU A 50 8.972 12.926 -8.874 1.00 0.00 N ATOM 735 CA LEU A 50 9.156 11.507 -9.129 1.00 0.00 C ATOM 736 C LEU A 50 10.529 11.073 -8.606 1.00 0.00 C ATOM 737 O LEU A 50 10.656 10.021 -7.984 1.00 0.00 O ATOM 738 CB LEU A 50 8.934 11.194 -10.610 1.00 0.00 C ATOM 739 CG LEU A 50 7.477 11.082 -11.060 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.764 9.939 -10.335 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.746 12.414 -10.887 1.00 0.00 C ATOM 0 H LEU A 50 8.992 13.515 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 50 8.410 10.923 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.418 11.971 -11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.438 10.256 -10.842 1.00 0.00 H new ATOM 0 HG LEU A 50 7.466 10.844 -12.124 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.730 9.882 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.270 8.998 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.784 10.121 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.712 12.307 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.766 12.706 -9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.239 13.180 -11.486 1.00 0.00 H new ATOM 752 N ASP A 51 11.520 11.908 -8.881 1.00 0.00 N ATOM 753 CA ASP A 51 12.877 11.626 -8.446 1.00 0.00 C ATOM 754 C ASP A 51 12.939 11.674 -6.917 1.00 0.00 C ATOM 755 O ASP A 51 13.483 10.769 -6.286 1.00 0.00 O ATOM 756 CB ASP A 51 13.858 12.666 -8.991 1.00 0.00 C ATOM 757 CG ASP A 51 14.093 12.602 -10.501 1.00 0.00 C ATOM 758 OD1 ASP A 51 14.931 11.768 -10.911 1.00 0.00 O ATOM 759 OD2 ASP A 51 13.433 13.390 -11.212 1.00 0.00 O ATOM 0 H ASP A 51 11.410 12.780 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 51 13.152 10.640 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.489 13.660 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.815 12.542 -8.484 1.00 0.00 H new ATOM 763 N GLU A 52 12.374 12.738 -6.367 1.00 0.00 N ATOM 764 CA GLU A 52 12.359 12.916 -4.925 1.00 0.00 C ATOM 765 C GLU A 52 11.478 11.852 -4.268 1.00 0.00 C ATOM 766 O GLU A 52 11.784 11.378 -3.176 1.00 0.00 O ATOM 767 CB GLU A 52 11.890 14.324 -4.552 1.00 0.00 C ATOM 768 CG GLU A 52 12.697 14.876 -3.374 1.00 0.00 C ATOM 769 CD GLU A 52 11.943 16.010 -2.678 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.852 15.720 -2.138 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.473 17.143 -2.698 1.00 0.00 O ATOM 0 H GLU A 52 11.923 13.486 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 52 13.376 12.797 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.995 14.986 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.831 14.302 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.899 14.077 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.662 15.239 -3.728 1.00 0.00 H new ATOM 776 N LEU A 53 10.403 11.509 -4.960 1.00 0.00 N ATOM 777 CA LEU A 53 9.475 10.512 -4.457 1.00 0.00 C ATOM 778 C LEU A 53 10.109 9.124 -4.578 1.00 0.00 C ATOM 779 O LEU A 53 9.945 8.284 -3.695 1.00 0.00 O ATOM 780 CB LEU A 53 8.123 10.632 -5.162 1.00 0.00 C ATOM 781 CG LEU A 53 7.062 9.607 -4.760 1.00 0.00 C ATOM 782 CD1 LEU A 53 6.069 10.206 -3.761 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.359 9.033 -5.993 1.00 0.00 C ATOM 0 H LEU A 53 10.153 11.904 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 53 9.273 10.681 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.725 11.629 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.288 10.552 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 53 7.562 8.778 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.326 9.455 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.602 10.526 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.571 11.064 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.609 8.307 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.875 9.839 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.092 8.544 -6.635 1.00 0.00 H new ATOM 794 N ASN A 54 10.819 8.928 -5.679 1.00 0.00 N ATOM 795 CA ASN A 54 11.479 7.657 -5.926 1.00 0.00 C ATOM 796 C ASN A 54 12.591 7.456 -4.895 1.00 0.00 C ATOM 797 O ASN A 54 12.844 6.334 -4.461 1.00 0.00 O ATOM 798 CB ASN A 54 12.113 7.629 -7.319 1.00 0.00 C ATOM 799 CG ASN A 54 11.192 6.938 -8.327 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.405 5.804 -8.726 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.162 7.683 -8.715 1.00 0.00 N ATOM 0 H ASN A 54 10.952 9.627 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 54 10.731 6.868 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.320 8.647 -7.649 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.069 7.107 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.490 7.313 -9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.044 8.624 -8.341 1.00 0.00 H new ATOM 807 N THR A 55 13.228 8.560 -4.535 1.00 0.00 N ATOM 808 CA THR A 55 14.308 8.520 -3.563 1.00 0.00 C ATOM 809 C THR A 55 13.749 8.304 -2.155 1.00 0.00 C ATOM 810 O THR A 55 14.281 7.500 -1.390 1.00 0.00 O ATOM 811 CB THR A 55 15.120 9.807 -3.706 1.00 0.00 C ATOM 812 OG1 THR A 55 16.472 9.384 -3.550 1.00 0.00 O ATOM 813 CG2 THR A 55 14.895 10.773 -2.538 1.00 0.00 C ATOM 0 H THR A 55 13.017 9.489 -4.899 1.00 0.00 H new ATOM 0 HA THR A 55 14.975 7.678 -3.746 1.00 0.00 H new ATOM 0 HB THR A 55 14.858 10.300 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.068 10.158 -3.630 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.494 11.671 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.841 11.045 -2.488 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.190 10.291 -1.606 1.00 0.00 H new ATOM 821 N TRP A 56 12.687 9.035 -1.855 1.00 0.00 N ATOM 822 CA TRP A 56 12.052 8.934 -0.553 1.00 0.00 C ATOM 823 C TRP A 56 11.392 7.557 -0.455 1.00 0.00 C ATOM 824 O TRP A 56 11.486 6.893 0.576 1.00 0.00 O ATOM 825 CB TRP A 56 11.068 10.085 -0.332 1.00 0.00 C ATOM 826 CG TRP A 56 9.621 9.635 -0.116 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.719 9.287 -1.043 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.944 9.498 1.151 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.514 8.936 -0.469 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.656 9.070 0.908 1.00 0.00 C ATOM 831 CE3 TRP A 56 9.405 9.729 2.459 1.00 0.00 C ATOM 832 CZ2 TRP A 56 6.721 8.835 1.924 1.00 0.00 C ATOM 833 CZ3 TRP A 56 8.459 9.489 3.463 1.00 0.00 C ATOM 834 CH2 TRP A 56 7.158 9.058 3.235 1.00 0.00 C ATOM 0 H TRP A 56 12.250 9.701 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 56 12.790 9.025 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.391 10.664 0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 56 11.105 10.752 -1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.911 9.282 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.674 8.634 -0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 56 10.409 10.065 2.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.717 8.500 1.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.762 9.650 4.487 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.487 8.896 4.065 1.00 0.00 H new ATOM 844 N PHE A 57 10.739 7.170 -1.540 1.00 0.00 N ATOM 845 CA PHE A 57 10.064 5.884 -1.589 1.00 0.00 C ATOM 846 C PHE A 57 11.074 4.734 -1.608 1.00 0.00 C ATOM 847 O PHE A 57 10.826 3.676 -1.031 1.00 0.00 O ATOM 848 CB PHE A 57 9.251 5.854 -2.884 1.00 0.00 C ATOM 849 CG PHE A 57 8.466 4.557 -3.097 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.538 4.167 -2.181 1.00 0.00 C ATOM 851 CD2 PHE A 57 8.695 3.797 -4.200 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.811 2.964 -2.378 1.00 0.00 C ATOM 853 CE2 PHE A 57 7.966 2.594 -4.397 1.00 0.00 C ATOM 854 CZ PHE A 57 7.039 2.204 -3.482 1.00 0.00 C ATOM 0 H PHE A 57 10.663 7.724 -2.393 1.00 0.00 H new ATOM 0 HA PHE A 57 9.432 5.762 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.554 6.692 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.925 6.001 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.355 4.772 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.431 4.108 -4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.076 2.652 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.148 1.989 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.484 1.290 -3.632 1.00 0.00 H new ATOM 863 N ASP A 58 12.192 4.982 -2.275 1.00 0.00 N ATOM 864 CA ASP A 58 13.239 3.980 -2.377 1.00 0.00 C ATOM 865 C ASP A 58 13.750 3.639 -0.976 1.00 0.00 C ATOM 866 O ASP A 58 13.945 2.469 -0.650 1.00 0.00 O ATOM 867 CB ASP A 58 14.422 4.502 -3.196 1.00 0.00 C ATOM 868 CG ASP A 58 15.676 3.630 -3.149 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.711 2.641 -3.915 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.574 3.967 -2.347 1.00 0.00 O ATOM 0 H ASP A 58 12.395 5.862 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 58 12.819 3.102 -2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.108 4.605 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.678 5.500 -2.840 1.00 0.00 H new ATOM 874 N LYS A 59 13.950 4.681 -0.182 1.00 0.00 N ATOM 875 CA LYS A 59 14.435 4.506 1.177 1.00 0.00 C ATOM 876 C LYS A 59 13.327 3.889 2.032 1.00 0.00 C ATOM 877 O LYS A 59 13.557 2.909 2.740 1.00 0.00 O ATOM 878 CB LYS A 59 14.974 5.827 1.728 1.00 0.00 C ATOM 879 CG LYS A 59 15.564 5.638 3.126 1.00 0.00 C ATOM 880 CD LYS A 59 14.457 5.486 4.172 1.00 0.00 C ATOM 881 CE LYS A 59 14.939 5.941 5.551 1.00 0.00 C ATOM 882 NZ LYS A 59 15.172 7.403 5.562 1.00 0.00 N ATOM 0 H LYS A 59 13.785 5.650 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 59 15.277 3.813 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.738 6.220 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.172 6.564 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.204 4.756 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.193 6.492 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.588 6.073 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.137 4.445 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.198 5.679 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.859 5.418 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.047 7.767 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.140 7.603 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.492 7.868 4.926 1.00 0.00 H new ATOM 892 N PHE A 60 12.148 4.487 1.939 1.00 0.00 N ATOM 893 CA PHE A 60 11.005 4.008 2.696 1.00 0.00 C ATOM 894 C PHE A 60 10.619 2.590 2.268 1.00 0.00 C ATOM 895 O PHE A 60 10.123 1.806 3.077 1.00 0.00 O ATOM 896 CB PHE A 60 9.841 4.954 2.394 1.00 0.00 C ATOM 897 CG PHE A 60 9.497 5.905 3.542 1.00 0.00 C ATOM 898 CD1 PHE A 60 10.369 6.886 3.897 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.319 5.769 4.208 1.00 0.00 C ATOM 900 CE1 PHE A 60 10.051 7.768 4.962 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.000 6.652 5.275 1.00 0.00 C ATOM 902 CZ PHE A 60 8.872 7.633 5.628 1.00 0.00 C ATOM 0 H PHE A 60 11.960 5.299 1.351 1.00 0.00 H new ATOM 0 HA PHE A 60 11.245 3.985 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.085 5.542 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.959 4.362 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.304 6.994 3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.626 4.990 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.745 8.546 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.065 6.544 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.629 8.306 6.437 1.00 0.00 H new ATOM 911 N ASP A 61 10.861 2.304 0.998 1.00 0.00 N ATOM 912 CA ASP A 61 10.546 0.995 0.452 1.00 0.00 C ATOM 913 C ASP A 61 11.281 -0.079 1.259 1.00 0.00 C ATOM 914 O ASP A 61 10.726 -1.142 1.534 1.00 0.00 O ATOM 915 CB ASP A 61 10.997 0.881 -1.005 1.00 0.00 C ATOM 916 CG ASP A 61 10.832 -0.508 -1.626 1.00 0.00 C ATOM 917 OD1 ASP A 61 11.569 -1.415 -1.188 1.00 0.00 O ATOM 918 OD2 ASP A 61 9.973 -0.629 -2.526 1.00 0.00 O ATOM 0 H ASP A 61 11.272 2.957 0.331 1.00 0.00 H new ATOM 0 HA ASP A 61 9.466 0.859 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.433 1.598 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.046 1.169 -1.068 1.00 0.00 H new ATOM 922 N ALA A 62 12.517 0.237 1.615 1.00 0.00 N ATOM 923 CA ALA A 62 13.333 -0.688 2.385 1.00 0.00 C ATOM 924 C ALA A 62 12.875 -0.670 3.845 1.00 0.00 C ATOM 925 O ALA A 62 12.769 -1.719 4.478 1.00 0.00 O ATOM 926 CB ALA A 62 14.808 -0.314 2.233 1.00 0.00 C ATOM 0 H ALA A 62 12.974 1.120 1.385 1.00 0.00 H new ATOM 0 HA ALA A 62 13.214 -1.706 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.420 -1.007 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.091 -0.369 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.966 0.701 2.599 1.00 0.00 H new ATOM 932 N GLU A 63 12.616 0.532 4.336 1.00 0.00 N ATOM 933 CA GLU A 63 12.174 0.699 5.711 1.00 0.00 C ATOM 934 C GLU A 63 10.834 -0.008 5.926 1.00 0.00 C ATOM 935 O GLU A 63 10.546 -0.481 7.024 1.00 0.00 O ATOM 936 CB GLU A 63 12.076 2.181 6.080 1.00 0.00 C ATOM 937 CG GLU A 63 13.322 2.639 6.840 1.00 0.00 C ATOM 938 CD GLU A 63 12.996 3.808 7.773 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.205 4.674 7.341 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.545 3.809 8.894 1.00 0.00 O ATOM 0 H GLU A 63 12.703 1.400 3.807 1.00 0.00 H new ATOM 0 HA GLU A 63 12.915 0.243 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.957 2.778 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.190 2.350 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.725 1.808 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.095 2.939 6.132 1.00 0.00 H new ATOM 945 N ILE A 64 10.049 -0.059 4.859 1.00 0.00 N ATOM 946 CA ILE A 64 8.747 -0.701 4.917 1.00 0.00 C ATOM 947 C ILE A 64 8.897 -2.180 4.559 1.00 0.00 C ATOM 948 O ILE A 64 8.121 -3.016 5.023 1.00 0.00 O ATOM 949 CB ILE A 64 7.741 0.047 4.039 1.00 0.00 C ATOM 950 CG1 ILE A 64 7.149 1.245 4.781 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.656 -0.900 3.521 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.711 0.963 5.221 1.00 0.00 C ATOM 0 H ILE A 64 10.290 0.334 3.949 1.00 0.00 H new ATOM 0 HA ILE A 64 8.345 -0.657 5.929 1.00 0.00 H new ATOM 0 HB ILE A 64 8.270 0.437 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.761 1.476 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.170 2.123 4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.954 -0.344 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.116 -1.691 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.124 -1.340 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.314 1.832 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.096 0.757 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.697 0.099 5.886 1.00 0.00 H new ATOM 963 N CYS A 65 9.897 -2.460 3.737 1.00 0.00 N ATOM 964 CA CYS A 65 10.159 -3.824 3.312 1.00 0.00 C ATOM 965 C CYS A 65 10.857 -4.559 4.457 1.00 0.00 C ATOM 966 O CYS A 65 10.694 -5.768 4.615 1.00 0.00 O ATOM 967 CB CYS A 65 10.980 -3.867 2.021 1.00 0.00 C ATOM 968 SG CYS A 65 11.222 -5.602 1.491 1.00 0.00 S ATOM 0 H CYS A 65 10.537 -1.764 3.353 1.00 0.00 H new ATOM 0 HA CYS A 65 9.217 -4.323 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.470 -3.306 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.946 -3.388 2.179 1.00 0.00 H new ATOM 0 HG CYS A 65 11.092 -6.391 2.516 1.00 0.00 H new ATOM 973 N ILE A 66 11.620 -3.798 5.229 1.00 0.00 N ATOM 974 CA ILE A 66 12.343 -4.362 6.355 1.00 0.00 C ATOM 975 C ILE A 66 11.356 -5.070 7.286 1.00 0.00 C ATOM 976 O ILE A 66 11.545 -6.237 7.624 1.00 0.00 O ATOM 977 CB ILE A 66 13.179 -3.285 7.048 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.637 -3.344 6.592 1.00 0.00 C ATOM 979 CG2 ILE A 66 13.050 -3.386 8.570 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.738 -3.261 5.067 1.00 0.00 C ATOM 0 H ILE A 66 11.753 -2.795 5.096 1.00 0.00 H new ATOM 0 HA ILE A 66 13.055 -5.114 6.014 1.00 0.00 H new ATOM 0 HB ILE A 66 12.790 -2.310 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.196 -2.524 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.094 -4.270 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.654 -2.609 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.006 -3.256 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.398 -4.365 8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.785 -3.305 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.198 -4.096 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.302 -2.323 4.724 1.00 0.00 H new ATOM 991 N PRO A 67 10.299 -4.313 7.685 1.00 0.00 N ATOM 992 CA PRO A 67 9.284 -4.855 8.572 1.00 0.00 C ATOM 993 C PRO A 67 8.359 -5.818 7.823 1.00 0.00 C ATOM 994 O PRO A 67 7.416 -6.355 8.402 1.00 0.00 O ATOM 995 CB PRO A 67 8.555 -3.642 9.125 1.00 0.00 C ATOM 996 CG PRO A 67 8.878 -2.495 8.180 1.00 0.00 C ATOM 997 CD PRO A 67 10.043 -2.927 7.303 1.00 0.00 C ATOM 0 HA PRO A 67 9.707 -5.451 9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.481 -3.819 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.885 -3.417 10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.010 -2.249 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.136 -1.598 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.793 -2.847 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.919 -2.301 7.472 1.00 0.00 H new ATOM 1002 N ASN A 68 8.660 -6.004 6.547 1.00 0.00 N ATOM 1003 CA ASN A 68 7.867 -6.891 5.712 1.00 0.00 C ATOM 1004 C ASN A 68 8.567 -8.248 5.609 1.00 0.00 C ATOM 1005 O ASN A 68 9.793 -8.315 5.555 1.00 0.00 O ATOM 1006 CB ASN A 68 7.716 -6.327 4.297 1.00 0.00 C ATOM 1007 CG ASN A 68 6.957 -4.999 4.315 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.372 -4.602 5.308 1.00 0.00 O ATOM 1009 ND2 ASN A 68 7.001 -4.336 3.162 1.00 0.00 N ATOM 0 H ASN A 68 9.442 -5.556 6.070 1.00 0.00 H new ATOM 0 HA ASN A 68 6.881 -6.991 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.701 -6.181 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.186 -7.044 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.526 -3.438 3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.510 -4.726 2.369 1.00 0.00 H new ATOM 1015 N GLU A 69 7.755 -9.296 5.582 1.00 0.00 N ATOM 1016 CA GLU A 69 8.281 -10.646 5.486 1.00 0.00 C ATOM 1017 C GLU A 69 7.622 -11.390 4.322 1.00 0.00 C ATOM 1018 O GLU A 69 6.941 -12.395 4.528 1.00 0.00 O ATOM 1019 CB GLU A 69 8.089 -11.405 6.800 1.00 0.00 C ATOM 1020 CG GLU A 69 9.372 -11.390 7.634 1.00 0.00 C ATOM 1021 CD GLU A 69 9.726 -12.798 8.119 1.00 0.00 C ATOM 1022 OE1 GLU A 69 10.205 -13.585 7.276 1.00 0.00 O ATOM 1023 OE2 GLU A 69 9.509 -13.054 9.323 1.00 0.00 O ATOM 0 H GLU A 69 6.738 -9.236 5.625 1.00 0.00 H new ATOM 0 HA GLU A 69 9.352 -10.585 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.276 -10.954 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.799 -12.435 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.193 -10.989 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.246 -10.727 8.490 1.00 0.00 H new ATOM 1028 N GLY A 70 7.845 -10.869 3.126 1.00 0.00 N ATOM 1029 CA GLY A 70 7.282 -11.471 1.929 1.00 0.00 C ATOM 1030 C GLY A 70 7.507 -10.578 0.708 1.00 0.00 C ATOM 1031 O GLY A 70 8.399 -9.730 0.709 1.00 0.00 O ATOM 0 H GLY A 70 8.409 -10.035 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.738 -12.446 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.214 -11.638 2.070 1.00 0.00 H new ATOM 1035 N HIS A 71 6.683 -10.797 -0.307 1.00 0.00 N ATOM 1036 CA HIS A 71 6.779 -10.022 -1.532 1.00 0.00 C ATOM 1037 C HIS A 71 5.708 -8.929 -1.534 1.00 0.00 C ATOM 1038 O HIS A 71 4.635 -9.107 -0.961 1.00 0.00 O ATOM 1039 CB HIS A 71 6.700 -10.932 -2.759 1.00 0.00 C ATOM 1040 CG HIS A 71 7.817 -11.945 -2.845 1.00 0.00 C ATOM 1041 ND1 HIS A 71 8.906 -11.790 -3.685 1.00 0.00 N ATOM 1042 CD2 HIS A 71 8.002 -13.127 -2.189 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.705 -12.837 -3.533 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.142 -13.664 -2.606 1.00 0.00 N ATOM 0 H HIS A 71 5.945 -11.501 -0.305 1.00 0.00 H new ATOM 0 HA HIS A 71 7.750 -9.530 -1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.746 -11.459 -2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.713 -10.315 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.334 -13.553 -1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.637 -13.005 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.533 -14.550 -2.286 1.00 0.00 H new ATOM 1051 N ILE A 72 6.039 -7.823 -2.185 1.00 0.00 N ATOM 1052 CA ILE A 72 5.118 -6.703 -2.270 1.00 0.00 C ATOM 1053 C ILE A 72 5.192 -6.093 -3.671 1.00 0.00 C ATOM 1054 O ILE A 72 6.271 -5.997 -4.253 1.00 0.00 O ATOM 1055 CB ILE A 72 5.390 -5.700 -1.147 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.347 -4.601 -1.614 1.00 0.00 C ATOM 1057 CG2 ILE A 72 5.900 -6.409 0.109 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.914 -3.826 -0.423 1.00 0.00 C ATOM 0 H ILE A 72 6.931 -7.679 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 72 4.092 -7.041 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 72 4.449 -5.217 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.163 -5.043 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.823 -3.917 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.086 -5.674 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.152 -7.124 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.826 -6.936 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.591 -3.051 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.098 -3.365 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.458 -4.509 0.230 1.00 0.00 H new ATOM 1069 N LYS A 73 4.030 -5.696 -4.171 1.00 0.00 N ATOM 1070 CA LYS A 73 3.950 -5.099 -5.492 1.00 0.00 C ATOM 1071 C LYS A 73 3.210 -3.763 -5.401 1.00 0.00 C ATOM 1072 O LYS A 73 2.239 -3.638 -4.653 1.00 0.00 O ATOM 1073 CB LYS A 73 3.327 -6.080 -6.487 1.00 0.00 C ATOM 1074 CG LYS A 73 1.860 -6.350 -6.145 1.00 0.00 C ATOM 1075 CD LYS A 73 1.470 -7.785 -6.501 1.00 0.00 C ATOM 1076 CE LYS A 73 0.291 -7.808 -7.476 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.656 -8.529 -8.715 1.00 0.00 N ATOM 0 H LYS A 73 3.137 -5.777 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 73 4.949 -4.885 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.400 -5.675 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.885 -7.016 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.693 -6.177 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.222 -5.651 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.323 -8.298 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.207 -8.330 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.567 -8.290 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.009 -6.788 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.156 -8.535 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.461 -8.052 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.920 -9.508 -8.482 1.00 0.00 H new ATOM 1087 N TYR A 74 3.694 -2.799 -6.169 1.00 0.00 N ATOM 1088 CA TYR A 74 3.091 -1.477 -6.182 1.00 0.00 C ATOM 1089 C TYR A 74 3.042 -0.910 -7.603 1.00 0.00 C ATOM 1090 O TYR A 74 3.834 -1.303 -8.458 1.00 0.00 O ATOM 1091 CB TYR A 74 3.995 -0.591 -5.323 1.00 0.00 C ATOM 1092 CG TYR A 74 5.479 -0.953 -5.406 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.260 -0.437 -6.422 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.039 -1.793 -4.465 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.657 -0.777 -6.501 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.437 -2.133 -4.544 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.176 -1.608 -5.557 1.00 0.00 C ATOM 1098 OH TYR A 74 9.495 -1.929 -5.631 1.00 0.00 O ATOM 0 H TYR A 74 4.498 -2.907 -6.788 1.00 0.00 H new ATOM 0 HA TYR A 74 2.069 -1.519 -5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.867 0.447 -5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.672 -0.659 -4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.823 0.222 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.429 -2.195 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.278 -0.382 -7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.888 -2.790 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 74 9.728 -2.529 -4.892 1.00 0.00 H new ATOM 1107 N GLU A 75 2.104 0.002 -7.809 1.00 0.00 N ATOM 1108 CA GLU A 75 1.941 0.625 -9.112 1.00 0.00 C ATOM 1109 C GLU A 75 1.746 2.135 -8.957 1.00 0.00 C ATOM 1110 O GLU A 75 0.775 2.580 -8.346 1.00 0.00 O ATOM 1111 CB GLU A 75 0.776 -0.003 -9.879 1.00 0.00 C ATOM 1112 CG GLU A 75 1.226 -0.492 -11.255 1.00 0.00 C ATOM 1113 CD GLU A 75 1.489 -2.001 -11.243 1.00 0.00 C ATOM 1114 OE1 GLU A 75 2.310 -2.427 -10.401 1.00 0.00 O ATOM 1115 OE2 GLU A 75 0.862 -2.693 -12.074 1.00 0.00 O ATOM 0 H GLU A 75 1.449 0.325 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 75 2.848 0.453 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.368 -0.837 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.025 0.728 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.461 -0.259 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.131 0.036 -11.554 1.00 0.00 H new ATOM 1120 N ILE A 76 2.685 2.882 -9.520 1.00 0.00 N ATOM 1121 CA ILE A 76 2.627 4.332 -9.453 1.00 0.00 C ATOM 1122 C ILE A 76 2.593 4.903 -10.872 1.00 0.00 C ATOM 1123 O ILE A 76 3.582 4.831 -11.598 1.00 0.00 O ATOM 1124 CB ILE A 76 3.775 4.874 -8.600 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.833 4.165 -7.245 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.674 6.393 -8.448 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.513 5.046 -6.194 1.00 0.00 C ATOM 0 H ILE A 76 3.490 2.510 -10.024 1.00 0.00 H new ATOM 0 HA ILE A 76 1.711 4.654 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 76 4.713 4.663 -9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.824 3.915 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.377 3.226 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.502 6.753 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.718 6.861 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.730 6.649 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.541 4.519 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.530 5.274 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.953 5.974 -6.079 1.00 0.00 H new ATOM 1138 N SER A 77 1.442 5.458 -11.224 1.00 0.00 N ATOM 1139 CA SER A 77 1.266 6.041 -12.544 1.00 0.00 C ATOM 1140 C SER A 77 1.481 7.554 -12.481 1.00 0.00 C ATOM 1141 O SER A 77 0.806 8.250 -11.723 1.00 0.00 O ATOM 1142 CB SER A 77 -0.123 5.725 -13.104 1.00 0.00 C ATOM 1143 OG SER A 77 -0.337 6.334 -14.375 1.00 0.00 O ATOM 0 H SER A 77 0.623 5.516 -10.619 1.00 0.00 H new ATOM 0 HA SER A 77 2.007 5.603 -13.213 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.240 4.645 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.884 6.070 -12.404 1.00 0.00 H new ATOM 0 HG SER A 77 -1.280 6.243 -14.627 1.00 0.00 H new ATOM 1148 N SER A 78 2.424 8.021 -13.287 1.00 0.00 N ATOM 1149 CA SER A 78 2.735 9.438 -13.332 1.00 0.00 C ATOM 1150 C SER A 78 1.455 10.251 -13.537 1.00 0.00 C ATOM 1151 O SER A 78 1.377 11.408 -13.126 1.00 0.00 O ATOM 1152 CB SER A 78 3.742 9.745 -14.444 1.00 0.00 C ATOM 1153 OG SER A 78 4.996 9.107 -14.221 1.00 0.00 O ATOM 0 H SER A 78 2.982 7.442 -13.914 1.00 0.00 H new ATOM 0 HA SER A 78 3.186 9.719 -12.380 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.335 9.419 -15.401 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.891 10.823 -14.511 1.00 0.00 H new ATOM 0 HG SER A 78 5.609 9.326 -14.953 1.00 0.00 H new ATOM 1158 N ASP A 79 0.482 9.611 -14.169 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.792 10.260 -14.433 1.00 0.00 C ATOM 1160 C ASP A 79 -1.408 10.721 -13.111 1.00 0.00 C ATOM 1161 O ASP A 79 -2.252 11.614 -13.094 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.774 9.294 -15.100 1.00 0.00 C ATOM 1163 CG ASP A 79 -2.272 9.730 -16.479 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -1.563 9.424 -17.462 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -3.351 10.359 -16.520 1.00 0.00 O ATOM 0 H ASP A 79 0.550 8.651 -14.506 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.609 11.105 -15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.295 8.320 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.635 9.163 -14.444 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.960 10.092 -12.035 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.457 10.427 -10.711 1.00 0.00 C ATOM 1171 C GLY A 80 -2.296 9.284 -10.135 1.00 0.00 C ATOM 1172 O GLY A 80 -3.349 9.519 -9.544 1.00 0.00 O ATOM 0 H GLY A 80 -0.258 9.352 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.619 10.638 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.059 11.334 -10.763 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.800 8.072 -10.328 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.491 6.893 -9.836 1.00 0.00 C ATOM 1178 C LEU A 81 -1.493 5.989 -9.106 1.00 0.00 C ATOM 1179 O LEU A 81 -0.551 5.482 -9.714 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.235 6.193 -10.975 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.671 5.758 -10.670 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -4.725 4.897 -9.406 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.602 6.968 -10.581 1.00 0.00 C ATOM 0 H LEU A 81 -0.927 7.880 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.256 7.175 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.254 6.862 -11.835 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.664 5.312 -11.268 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.025 5.140 -11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.756 4.601 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.112 4.007 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.346 5.469 -8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.616 6.632 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.261 7.631 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.593 7.504 -11.530 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.735 5.815 -7.816 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.869 4.983 -6.997 1.00 0.00 C ATOM 1196 C ILE A 82 -1.700 3.870 -6.356 1.00 0.00 C ATOM 1197 O ILE A 82 -2.755 4.129 -5.780 1.00 0.00 O ATOM 1198 CB ILE A 82 -0.102 5.838 -5.988 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.395 7.134 -6.630 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.038 5.042 -5.348 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.532 8.305 -6.295 1.00 0.00 C ATOM 0 H ILE A 82 -2.519 6.236 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.109 4.501 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.788 6.118 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.404 7.353 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.452 7.009 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.567 5.674 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.630 4.174 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.730 4.711 -6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.155 9.214 -6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.534 8.094 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.568 8.443 -5.214 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.190 2.652 -6.476 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.871 1.497 -5.916 1.00 0.00 C ATOM 1214 C VAL A 83 -0.869 0.653 -5.125 1.00 0.00 C ATOM 1215 O VAL A 83 0.294 0.544 -5.509 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.570 0.712 -7.028 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.572 0.287 -8.108 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.313 -0.499 -6.460 1.00 0.00 C ATOM 0 H VAL A 83 -0.313 2.441 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.649 1.812 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.306 1.369 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.094 -0.269 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.108 1.172 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.803 -0.345 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.801 -1.040 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.604 -1.159 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.064 -0.163 -5.745 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.360 0.077 -4.037 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.520 -0.754 -3.190 1.00 0.00 C ATOM 1230 C LEU A 84 -1.151 -2.142 -3.061 1.00 0.00 C ATOM 1231 O LEU A 84 -2.296 -2.270 -2.630 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.267 -0.066 -1.847 1.00 0.00 C ATOM 1233 CG LEU A 84 1.089 -0.341 -1.197 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.241 -1.823 -0.848 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.234 0.158 -2.084 1.00 0.00 C ATOM 0 H LEU A 84 -2.326 0.169 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 84 0.462 -0.890 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.368 1.010 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.049 -0.371 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 84 1.138 0.217 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.215 -1.990 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.455 -2.115 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.162 -2.421 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.188 -0.050 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.198 -0.353 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.132 1.232 -2.239 1.00 0.00 H new ATOM 1246 N MET A 85 -0.375 -3.147 -3.440 1.00 0.00 N ATOM 1247 CA MET A 85 -0.843 -4.520 -3.371 1.00 0.00 C ATOM 1248 C MET A 85 0.027 -5.351 -2.423 1.00 0.00 C ATOM 1249 O MET A 85 1.222 -5.517 -2.659 1.00 0.00 O ATOM 1250 CB MET A 85 -0.809 -5.142 -4.768 1.00 0.00 C ATOM 1251 CG MET A 85 -1.909 -4.552 -5.656 1.00 0.00 C ATOM 1252 SD MET A 85 -1.181 -3.661 -7.019 1.00 0.00 S ATOM 1253 CE MET A 85 -0.563 -2.225 -6.157 1.00 0.00 C ATOM 0 H MET A 85 0.575 -3.037 -3.796 1.00 0.00 H new ATOM 0 HA MET A 85 -1.864 -4.516 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.165 -4.967 -5.225 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.937 -6.222 -4.693 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.550 -5.349 -6.033 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.541 -3.884 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.106 -1.541 -6.871 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.387 -1.723 -5.650 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.181 -2.534 -5.423 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.607 -5.847 -1.372 1.00 0.00 N ATOM 1262 CA LEU A 86 0.093 -6.655 -0.388 1.00 0.00 C ATOM 1263 C LEU A 86 -0.659 -7.973 -0.189 1.00 0.00 C ATOM 1264 O LEU A 86 -1.888 -8.005 -0.240 1.00 0.00 O ATOM 1265 CB LEU A 86 0.300 -5.865 0.905 1.00 0.00 C ATOM 1266 CG LEU A 86 0.929 -4.479 0.750 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.937 -3.728 2.084 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.327 -4.575 0.138 1.00 0.00 C ATOM 0 H LEU A 86 -1.599 -5.705 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 86 1.092 -6.907 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.666 -5.751 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.929 -6.455 1.571 1.00 0.00 H new ATOM 0 HG LEU A 86 0.315 -3.902 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.389 -2.746 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.086 -3.609 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.513 -4.293 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.750 -3.575 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.966 -5.178 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.262 -5.040 -0.846 1.00 0.00 H new ATOM 1279 N ASP A 87 0.110 -9.028 0.032 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.467 -10.345 0.240 1.00 0.00 C ATOM 1281 C ASP A 87 -0.926 -10.472 1.694 1.00 0.00 C ATOM 1282 O ASP A 87 -0.625 -9.613 2.522 1.00 0.00 O ATOM 1283 CB ASP A 87 0.561 -11.447 -0.028 1.00 0.00 C ATOM 1284 CG ASP A 87 1.755 -11.022 -0.884 1.00 0.00 C ATOM 1285 OD1 ASP A 87 1.516 -10.687 -2.065 1.00 0.00 O ATOM 1286 OD2 ASP A 87 2.879 -11.041 -0.340 1.00 0.00 O ATOM 0 H ASP A 87 1.129 -8.998 0.072 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.304 -10.458 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.932 -11.818 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.059 -12.280 -0.520 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.649 -11.550 1.962 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.153 -11.800 3.301 1.00 0.00 C ATOM 1292 C LYS A 88 -0.993 -12.211 4.210 1.00 0.00 C ATOM 1293 O LYS A 88 -0.961 -11.848 5.384 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.295 -12.817 3.264 1.00 0.00 C ATOM 1295 CG LYS A 88 -3.963 -12.944 4.634 1.00 0.00 C ATOM 1296 CD LYS A 88 -4.776 -11.691 4.965 1.00 0.00 C ATOM 1297 CE LYS A 88 -5.394 -11.791 6.361 1.00 0.00 C ATOM 1298 NZ LYS A 88 -4.557 -11.075 7.350 1.00 0.00 N ATOM 0 H LYS A 88 -1.898 -12.260 1.274 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.582 -10.890 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.034 -12.512 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.911 -13.788 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.614 -13.818 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.204 -13.102 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.134 -10.812 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.564 -11.558 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.399 -11.368 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.491 -12.838 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.348 -11.706 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.667 -10.778 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.067 -10.237 7.694 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.068 -12.964 3.630 1.00 0.00 N ATOM 1309 CA GLU A 89 1.091 -13.429 4.373 1.00 0.00 C ATOM 1310 C GLU A 89 1.952 -12.241 4.811 1.00 0.00 C ATOM 1311 O GLU A 89 2.848 -12.391 5.639 1.00 0.00 O ATOM 1312 CB GLU A 89 1.909 -14.423 3.547 1.00 0.00 C ATOM 1313 CG GLU A 89 2.278 -13.833 2.184 1.00 0.00 C ATOM 1314 CD GLU A 89 1.322 -14.326 1.097 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.135 -14.529 1.432 1.00 0.00 O ATOM 1316 OE2 GLU A 89 1.800 -14.487 -0.047 1.00 0.00 O ATOM 0 H GLU A 89 -0.098 -13.263 2.655 1.00 0.00 H new ATOM 0 HA GLU A 89 0.742 -13.949 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.816 -14.691 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.338 -15.341 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.247 -12.745 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.300 -14.111 1.928 1.00 0.00 H new ATOM 1321 N ILE A 90 1.648 -11.087 4.233 1.00 0.00 N ATOM 1322 CA ILE A 90 2.384 -9.875 4.552 1.00 0.00 C ATOM 1323 C ILE A 90 1.399 -8.778 4.958 1.00 0.00 C ATOM 1324 O ILE A 90 1.658 -7.595 4.742 1.00 0.00 O ATOM 1325 CB ILE A 90 3.299 -9.483 3.391 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.491 -8.892 2.233 1.00 0.00 C ATOM 1327 CG2 ILE A 90 4.158 -10.667 2.944 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.415 -8.282 1.175 1.00 0.00 C ATOM 0 H ILE A 90 0.903 -10.966 3.547 1.00 0.00 H new ATOM 0 HA ILE A 90 3.043 -10.042 5.404 1.00 0.00 H new ATOM 0 HB ILE A 90 3.980 -8.706 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.876 -9.670 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.811 -8.128 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.799 -10.360 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.776 -11.003 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.512 -11.483 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.816 -7.869 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.011 -7.489 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.077 -9.054 0.781 1.00 0.00 H new ATOM 1339 N GLU A 91 0.287 -9.208 5.537 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.738 -8.276 5.975 1.00 0.00 C ATOM 1341 C GLU A 91 -0.130 -7.203 6.879 1.00 0.00 C ATOM 1342 O GLU A 91 -0.666 -6.101 6.985 1.00 0.00 O ATOM 1343 CB GLU A 91 -1.878 -9.009 6.684 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.015 -8.047 7.035 1.00 0.00 C ATOM 1345 CD GLU A 91 -3.819 -8.561 8.230 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.187 -9.174 9.118 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.048 -8.331 8.229 1.00 0.00 O ATOM 0 H GLU A 91 0.074 -10.190 5.713 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.156 -7.787 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.256 -9.806 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.503 -9.480 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.606 -7.063 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.673 -7.927 6.174 1.00 0.00 H new ATOM 1352 N GLU A 92 0.979 -7.562 7.507 1.00 0.00 N ATOM 1353 CA GLU A 92 1.665 -6.645 8.399 1.00 0.00 C ATOM 1354 C GLU A 92 2.021 -5.353 7.662 1.00 0.00 C ATOM 1355 O GLU A 92 1.796 -4.258 8.175 1.00 0.00 O ATOM 1356 CB GLU A 92 2.914 -7.294 9.000 1.00 0.00 C ATOM 1357 CG GLU A 92 4.118 -6.353 8.911 1.00 0.00 C ATOM 1358 CD GLU A 92 5.266 -6.849 9.793 1.00 0.00 C ATOM 1359 OE1 GLU A 92 5.422 -8.085 9.881 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.962 -5.978 10.358 1.00 0.00 O ATOM 0 H GLU A 92 1.420 -8.477 7.415 1.00 0.00 H new ATOM 0 HA GLU A 92 0.992 -6.399 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.727 -7.554 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.134 -8.223 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.454 -6.282 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.824 -5.350 9.220 1.00 0.00 H new ATOM 1365 N VAL A 93 2.570 -5.522 6.468 1.00 0.00 N ATOM 1366 CA VAL A 93 2.958 -4.383 5.653 1.00 0.00 C ATOM 1367 C VAL A 93 1.719 -3.541 5.338 1.00 0.00 C ATOM 1368 O VAL A 93 1.805 -2.319 5.236 1.00 0.00 O ATOM 1369 CB VAL A 93 3.691 -4.862 4.398 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.757 -5.667 3.492 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.310 -3.686 3.642 1.00 0.00 C ATOM 0 H VAL A 93 2.756 -6.431 6.045 1.00 0.00 H new ATOM 0 HA VAL A 93 3.655 -3.745 6.196 1.00 0.00 H new ATOM 0 HB VAL A 93 4.501 -5.520 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.302 -5.996 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.386 -6.537 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.917 -5.042 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.825 -4.054 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.525 -2.991 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.022 -3.173 4.288 1.00 0.00 H new ATOM 1381 N VAL A 94 0.598 -4.230 5.193 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.656 -3.562 4.890 1.00 0.00 C ATOM 1383 C VAL A 94 -0.907 -2.464 5.927 1.00 0.00 C ATOM 1384 O VAL A 94 -1.204 -1.326 5.570 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.791 -4.585 4.817 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.770 -4.403 5.977 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.515 -4.506 3.471 1.00 0.00 C ATOM 0 H VAL A 94 0.531 -5.244 5.280 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.606 -3.082 3.913 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.351 -5.579 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.567 -5.143 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.243 -4.534 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.200 -3.402 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.317 -5.244 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.935 -3.509 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.809 -4.710 2.666 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.778 -2.847 7.188 1.00 0.00 N ATOM 1398 CA GLU A 95 -0.987 -1.908 8.278 1.00 0.00 C ATOM 1399 C GLU A 95 0.159 -0.896 8.335 1.00 0.00 C ATOM 1400 O GLU A 95 -0.050 0.264 8.688 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.135 -2.644 9.613 1.00 0.00 C ATOM 1402 CG GLU A 95 -1.905 -3.954 9.435 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.518 -4.414 10.758 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -1.755 -4.980 11.571 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -3.735 -4.189 10.928 1.00 0.00 O ATOM 0 H GLU A 95 -0.532 -3.793 7.480 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.915 -1.366 8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.149 -2.851 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.655 -2.007 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.692 -3.819 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.235 -4.725 9.053 1.00 0.00 H new ATOM 1410 N LYS A 96 1.344 -1.370 7.980 1.00 0.00 N ATOM 1411 CA LYS A 96 2.522 -0.521 7.986 1.00 0.00 C ATOM 1412 C LYS A 96 2.427 0.482 6.835 1.00 0.00 C ATOM 1413 O LYS A 96 2.975 1.581 6.917 1.00 0.00 O ATOM 1414 CB LYS A 96 3.794 -1.370 7.959 1.00 0.00 C ATOM 1415 CG LYS A 96 3.725 -2.498 8.990 1.00 0.00 C ATOM 1416 CD LYS A 96 4.838 -2.358 10.030 1.00 0.00 C ATOM 1417 CE LYS A 96 4.271 -1.933 11.387 1.00 0.00 C ATOM 1418 NZ LYS A 96 5.149 -2.399 12.485 1.00 0.00 N ATOM 0 H LYS A 96 1.513 -2.332 7.686 1.00 0.00 H new ATOM 0 HA LYS A 96 2.572 0.056 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.933 -1.791 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.660 -0.740 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.755 -2.483 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.811 -3.461 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.365 -3.306 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.568 -1.623 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.177 -0.848 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.270 -2.345 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.750 -2.102 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.218 -3.436 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.097 -1.986 12.371 1.00 0.00 H new ATOM 1428 N VAL A 97 1.727 0.070 5.788 1.00 0.00 N ATOM 1429 CA VAL A 97 1.553 0.918 4.623 1.00 0.00 C ATOM 1430 C VAL A 97 0.514 1.997 4.933 1.00 0.00 C ATOM 1431 O VAL A 97 0.719 3.170 4.622 1.00 0.00 O ATOM 1432 CB VAL A 97 1.186 0.068 3.405 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.282 0.845 2.446 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.440 -0.437 2.690 1.00 0.00 C ATOM 0 H VAL A 97 1.274 -0.841 5.723 1.00 0.00 H new ATOM 0 HA VAL A 97 2.486 1.425 4.379 1.00 0.00 H new ATOM 0 HB VAL A 97 0.630 -0.801 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.036 0.218 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.635 1.131 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.800 1.741 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.150 -1.038 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.035 0.413 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.029 -1.046 3.376 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.578 1.563 5.544 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.651 2.478 5.900 1.00 0.00 C ATOM 1446 C LYS A 98 -1.102 3.566 6.823 1.00 0.00 C ATOM 1447 O LYS A 98 -1.364 4.750 6.617 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.835 1.709 6.491 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.849 1.344 5.403 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.215 1.024 6.014 1.00 0.00 C ATOM 1451 CE LYS A 98 -6.086 2.278 6.098 1.00 0.00 C ATOM 1452 NZ LYS A 98 -6.176 2.753 7.497 1.00 0.00 N ATOM 0 H LYS A 98 -0.744 0.590 5.802 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.036 2.979 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.477 0.802 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.320 2.314 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.946 2.170 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.489 0.484 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.718 0.267 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.082 0.602 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.667 3.062 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.084 2.061 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.247 3.791 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.019 2.344 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.326 2.459 8.019 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.349 3.127 7.821 1.00 0.00 N ATOM 1463 CA LYS A 99 0.238 4.050 8.777 1.00 0.00 C ATOM 1464 C LYS A 99 1.295 4.903 8.072 1.00 0.00 C ATOM 1465 O LYS A 99 1.435 6.090 8.362 1.00 0.00 O ATOM 1466 CB LYS A 99 0.772 3.293 9.995 1.00 0.00 C ATOM 1467 CG LYS A 99 1.812 2.250 9.580 1.00 0.00 C ATOM 1468 CD LYS A 99 3.229 2.822 9.674 1.00 0.00 C ATOM 1469 CE LYS A 99 3.943 2.316 10.926 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.752 3.260 12.050 1.00 0.00 N ATOM 0 H LYS A 99 -0.132 2.144 7.988 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.520 4.733 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.218 3.997 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.052 2.803 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.727 1.372 10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.616 1.921 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.798 2.540 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.185 3.911 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.558 1.334 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.007 2.196 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.244 2.900 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.141 4.190 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.737 3.354 12.256 1.00 0.00 H new ATOM 1480 N PHE A 100 2.014 4.264 7.161 1.00 0.00 N ATOM 1481 CA PHE A 100 3.054 4.948 6.413 1.00 0.00 C ATOM 1482 C PHE A 100 2.465 6.067 5.551 1.00 0.00 C ATOM 1483 O PHE A 100 2.930 7.205 5.603 1.00 0.00 O ATOM 1484 CB PHE A 100 3.708 3.908 5.500 1.00 0.00 C ATOM 1485 CG PHE A 100 4.062 4.436 4.108 1.00 0.00 C ATOM 1486 CD1 PHE A 100 5.009 5.403 3.969 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.430 3.940 3.011 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.338 5.892 2.677 1.00 0.00 C ATOM 1489 CE2 PHE A 100 3.759 4.430 1.720 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.707 5.395 1.580 1.00 0.00 C ATOM 0 H PHE A 100 1.896 3.279 6.924 1.00 0.00 H new ATOM 0 HA PHE A 100 3.772 5.395 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.615 3.539 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.034 3.058 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.510 5.798 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.678 3.173 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.090 6.659 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.256 4.036 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.959 5.766 0.598 1.00 0.00 H new ATOM 1499 N VAL A 101 1.451 5.704 4.781 1.00 0.00 N ATOM 1500 CA VAL A 101 0.792 6.663 3.910 1.00 0.00 C ATOM 1501 C VAL A 101 0.230 7.810 4.752 1.00 0.00 C ATOM 1502 O VAL A 101 0.470 8.980 4.455 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.276 5.960 3.069 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -1.186 6.976 2.377 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.363 5.013 2.050 1.00 0.00 C ATOM 0 H VAL A 101 1.069 4.759 4.742 1.00 0.00 H new ATOM 0 HA VAL A 101 1.507 7.094 3.209 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.891 5.363 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.936 6.450 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.682 7.591 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.590 7.612 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.418 4.526 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.014 5.580 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.949 4.257 2.573 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.507 7.434 5.788 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.105 8.417 6.675 1.00 0.00 C ATOM 1517 C GLU A 102 -0.024 9.112 7.504 1.00 0.00 C ATOM 1518 O GLU A 102 -0.238 10.212 8.011 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.158 7.770 7.578 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.512 7.177 8.833 1.00 0.00 C ATOM 1521 CD GLU A 102 -1.817 8.034 10.063 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -1.960 9.262 9.877 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -1.896 7.444 11.162 1.00 0.00 O ATOM 0 H GLU A 102 -0.703 6.463 6.032 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.607 9.169 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.903 8.512 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.682 6.987 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.880 6.163 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.433 7.107 8.693 1.00 0.00 H new ATOM 1528 N GLU A 103 1.114 8.443 7.614 1.00 0.00 N ATOM 1529 CA GLU A 103 2.229 8.984 8.373 1.00 0.00 C ATOM 1530 C GLU A 103 2.846 10.173 7.632 1.00 0.00 C ATOM 1531 O GLU A 103 3.223 11.165 8.253 1.00 0.00 O ATOM 1532 CB GLU A 103 3.279 7.905 8.648 1.00 0.00 C ATOM 1533 CG GLU A 103 3.037 7.238 10.004 1.00 0.00 C ATOM 1534 CD GLU A 103 3.741 8.004 11.125 1.00 0.00 C ATOM 1535 OE1 GLU A 103 4.979 8.142 11.026 1.00 0.00 O ATOM 1536 OE2 GLU A 103 3.026 8.433 12.056 1.00 0.00 O ATOM 0 H GLU A 103 1.288 7.532 7.191 1.00 0.00 H new ATOM 0 HA GLU A 103 1.854 9.334 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.249 7.154 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.275 8.348 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.967 7.194 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.399 6.210 9.978 1.00 0.00 H new ATOM 1541 N ASN A 104 2.930 10.032 6.319 1.00 0.00 N ATOM 1542 CA ASN A 104 3.493 11.083 5.488 1.00 0.00 C ATOM 1543 C ASN A 104 2.381 12.044 5.065 1.00 0.00 C ATOM 1544 O ASN A 104 2.652 13.180 4.676 1.00 0.00 O ATOM 1545 CB ASN A 104 4.125 10.504 4.220 1.00 0.00 C ATOM 1546 CG ASN A 104 5.512 11.099 3.978 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.803 11.659 2.933 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.351 10.950 4.998 1.00 0.00 N ATOM 0 H ASN A 104 2.618 9.206 5.809 1.00 0.00 H new ATOM 0 HA ASN A 104 4.258 11.599 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.201 9.420 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.483 10.709 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.301 11.315 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.044 10.471 5.845 1.00 0.00 H new ATOM 1554 N ASN A 105 1.154 11.556 5.156 1.00 0.00 N ATOM 1555 CA ASN A 105 -0.001 12.358 4.788 1.00 0.00 C ATOM 1556 C ASN A 105 0.215 13.799 5.254 1.00 0.00 C ATOM 1557 O ASN A 105 -0.593 14.678 4.959 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.274 11.831 5.455 1.00 0.00 C ATOM 1559 CG ASN A 105 -2.264 11.311 4.410 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -3.255 11.945 4.089 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.942 10.127 3.901 1.00 0.00 N ATOM 0 H ASN A 105 0.933 10.614 5.480 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.115 12.308 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -1.020 11.031 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.739 12.626 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.540 9.695 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.097 9.650 4.215 1.00 0.00 H new