USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 671 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 8 MET CE :methyl 161:sc= 0 (180deg=-0.205) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -42:sc= 0.021 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -163:sc= -0.675 (180deg=-1.72!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.234) USER MOD Single : A 38 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.31) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 42 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 55 SER OG : rot 55:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.882 F(o=-2.5,f=-0.88) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.607! USER MOD Single : A 67 SER OG : rot -110:sc= -0.289 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -43:sc= 0.444 USER MOD Single : A 86 ASN : amide:sc= -2.57! C(o=-2.6!,f=-10!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.041 -14.912 -3.951 1.00 0.00 N ATOM 60 CA GLY A 7 -5.898 -13.510 -3.597 1.00 0.00 C ATOM 61 C GLY A 7 -5.870 -12.628 -4.847 1.00 0.00 C ATOM 62 O GLY A 7 -6.470 -12.970 -5.865 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.724 -13.208 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.980 -13.367 -3.026 1.00 0.00 H new ATOM 66 N MET A 8 -5.168 -11.511 -4.729 1.00 0.00 N ATOM 67 CA MET A 8 -5.055 -10.578 -5.837 1.00 0.00 C ATOM 68 C MET A 8 -3.764 -9.763 -5.738 1.00 0.00 C ATOM 69 O MET A 8 -3.075 -9.806 -4.720 1.00 0.00 O ATOM 70 CB MET A 8 -6.258 -9.632 -5.833 1.00 0.00 C ATOM 71 CG MET A 8 -6.563 -9.140 -4.417 1.00 0.00 C ATOM 72 SD MET A 8 -8.292 -9.384 -4.045 1.00 0.00 S ATOM 73 CE MET A 8 -8.979 -7.915 -4.791 1.00 0.00 C ATOM 0 H MET A 8 -4.672 -11.231 -3.883 1.00 0.00 H new ATOM 0 HA MET A 8 -5.033 -11.147 -6.766 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.057 -8.780 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.130 -10.145 -6.240 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.948 -9.678 -3.696 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.309 -8.084 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.047 -8.056 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.822 -7.063 -4.129 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.487 -7.728 -5.746 1.00 0.00 H new ATOM 83 N THR A 9 -3.475 -9.040 -6.810 1.00 0.00 N ATOM 84 CA THR A 9 -2.278 -8.216 -6.856 1.00 0.00 C ATOM 85 C THR A 9 -2.646 -6.756 -7.128 1.00 0.00 C ATOM 86 O THR A 9 -2.901 -6.379 -8.271 1.00 0.00 O ATOM 87 CB THR A 9 -1.336 -8.811 -7.904 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.566 -9.765 -7.177 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.302 -7.799 -8.403 1.00 0.00 C ATOM 0 H THR A 9 -4.048 -9.007 -7.653 1.00 0.00 H new ATOM 0 HA THR A 9 -1.761 -8.214 -5.896 1.00 0.00 H new ATOM 0 HB THR A 9 -1.919 -9.181 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.071 -10.200 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.341 -8.272 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.813 -6.949 -8.855 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.303 -7.454 -7.565 1.00 0.00 H new ATOM 97 N VAL A 10 -2.662 -5.974 -6.059 1.00 0.00 N ATOM 98 CA VAL A 10 -2.994 -4.564 -6.168 1.00 0.00 C ATOM 99 C VAL A 10 -1.711 -3.756 -6.373 1.00 0.00 C ATOM 100 O VAL A 10 -0.692 -4.031 -5.741 1.00 0.00 O ATOM 101 CB VAL A 10 -3.791 -4.118 -4.940 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.056 -2.611 -4.977 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.100 -4.902 -4.821 1.00 0.00 C ATOM 0 H VAL A 10 -2.450 -6.290 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.631 -4.388 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.191 -4.332 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.624 -2.320 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.107 -2.075 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.626 -2.364 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.647 -4.565 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.707 -4.734 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.880 -5.965 -4.727 1.00 0.00 H new ATOM 113 N ARG A 11 -1.802 -2.776 -7.260 1.00 0.00 N ATOM 114 CA ARG A 11 -0.661 -1.927 -7.557 1.00 0.00 C ATOM 115 C ARG A 11 -0.800 -0.582 -6.841 1.00 0.00 C ATOM 116 O ARG A 11 -1.911 -0.098 -6.633 1.00 0.00 O ATOM 117 CB ARG A 11 -0.531 -1.685 -9.062 1.00 0.00 C ATOM 118 CG ARG A 11 -0.538 -3.007 -9.832 1.00 0.00 C ATOM 119 CD ARG A 11 0.103 -2.841 -11.212 1.00 0.00 C ATOM 120 NE ARG A 11 1.516 -3.281 -11.170 1.00 0.00 N ATOM 121 CZ ARG A 11 1.911 -4.553 -11.312 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.003 -5.519 -11.507 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.215 -4.859 -11.260 1.00 0.00 N ATOM 0 H ARG A 11 -2.649 -2.551 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 11 0.234 -2.439 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.352 -1.056 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.393 -1.144 -9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.002 -3.765 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.563 -3.362 -9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.447 -3.425 -11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.047 -1.798 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 11 2.234 -2.571 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.011 -5.286 -11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.304 -6.488 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.906 -4.123 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.516 -5.827 -11.368 1.00 0.00 H new ATOM 137 N VAL A 12 0.344 -0.017 -6.484 1.00 0.00 N ATOM 138 CA VAL A 12 0.364 1.263 -5.796 1.00 0.00 C ATOM 139 C VAL A 12 1.275 2.231 -6.554 1.00 0.00 C ATOM 140 O VAL A 12 2.427 2.432 -6.172 1.00 0.00 O ATOM 141 CB VAL A 12 0.781 1.067 -4.338 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.911 2.411 -3.619 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.197 0.146 -3.606 1.00 0.00 C ATOM 0 H VAL A 12 1.264 -0.422 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.633 1.702 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 12 1.760 0.588 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.209 2.243 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.665 3.020 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.047 2.930 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.123 0.024 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.195 0.584 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.217 -0.827 -4.097 1.00 0.00 H new ATOM 153 N CYS A 13 0.725 2.803 -7.615 1.00 0.00 N ATOM 154 CA CYS A 13 1.474 3.745 -8.430 1.00 0.00 C ATOM 155 C CYS A 13 1.680 5.025 -7.618 1.00 0.00 C ATOM 156 O CYS A 13 0.894 5.965 -7.725 1.00 0.00 O ATOM 157 CB CYS A 13 0.775 4.020 -9.763 1.00 0.00 C ATOM 158 SG CYS A 13 1.541 5.465 -10.584 1.00 0.00 S ATOM 0 H CYS A 13 -0.230 2.632 -7.929 1.00 0.00 H new ATOM 0 HA CYS A 13 2.444 3.318 -8.685 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.847 3.144 -10.408 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.286 4.206 -9.595 1.00 0.00 H new ATOM 0 HG CYS A 13 1.765 6.395 -9.704 1.00 0.00 H new ATOM 164 N LYS A 14 2.741 5.020 -6.824 1.00 0.00 N ATOM 165 CA LYS A 14 3.060 6.170 -5.994 1.00 0.00 C ATOM 166 C LYS A 14 2.903 7.448 -6.820 1.00 0.00 C ATOM 167 O LYS A 14 2.781 7.391 -8.043 1.00 0.00 O ATOM 168 CB LYS A 14 4.446 6.009 -5.366 1.00 0.00 C ATOM 169 CG LYS A 14 4.346 5.397 -3.967 1.00 0.00 C ATOM 170 CD LYS A 14 5.735 5.176 -3.365 1.00 0.00 C ATOM 171 CE LYS A 14 6.496 4.088 -4.126 1.00 0.00 C ATOM 172 NZ LYS A 14 7.659 3.622 -3.339 1.00 0.00 N ATOM 0 H LYS A 14 3.391 4.238 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 14 2.364 6.243 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.065 5.375 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.938 6.980 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.765 6.054 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.813 4.448 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.300 6.108 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.640 4.893 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.831 3.250 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.832 4.476 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.164 2.884 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.300 4.421 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.331 3.233 -2.432 1.00 0.00 H new ATOM 237 N VAL A 19 5.730 1.844 -8.604 1.00 0.00 N ATOM 238 CA VAL A 19 4.561 1.071 -8.218 1.00 0.00 C ATOM 239 C VAL A 19 5.012 -0.218 -7.529 1.00 0.00 C ATOM 240 O VAL A 19 6.045 -0.786 -7.881 1.00 0.00 O ATOM 241 CB VAL A 19 3.675 0.818 -9.439 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.510 0.366 -10.639 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.578 -0.200 -9.119 1.00 0.00 C ATOM 0 HA VAL A 19 3.955 1.627 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 19 3.192 1.759 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.855 0.193 -11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.236 1.139 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.034 -0.557 -10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.962 -0.362 -10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.034 -1.143 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.956 0.179 -8.308 1.00 0.00 H new ATOM 253 N MET A 20 4.215 -0.643 -6.560 1.00 0.00 N ATOM 254 CA MET A 20 4.519 -1.855 -5.818 1.00 0.00 C ATOM 255 C MET A 20 3.332 -2.820 -5.834 1.00 0.00 C ATOM 256 O MET A 20 2.220 -2.448 -5.463 1.00 0.00 O ATOM 257 CB MET A 20 4.865 -1.495 -4.372 1.00 0.00 C ATOM 258 CG MET A 20 6.074 -0.559 -4.314 1.00 0.00 C ATOM 259 SD MET A 20 6.554 -0.286 -2.616 1.00 0.00 S ATOM 260 CE MET A 20 4.944 -0.166 -1.854 1.00 0.00 C ATOM 0 H MET A 20 3.359 -0.170 -6.271 1.00 0.00 H new ATOM 0 HA MET A 20 5.369 -2.346 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.008 -1.017 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.077 -2.403 -3.808 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.906 -0.991 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.832 0.391 -4.789 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.040 0.296 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.290 0.442 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.517 -1.163 -1.746 1.00 0.00 H new ATOM 270 N PRO A 21 3.616 -4.073 -6.280 1.00 0.00 N ATOM 271 CA PRO A 21 2.585 -5.094 -6.349 1.00 0.00 C ATOM 272 C PRO A 21 2.248 -5.629 -4.956 1.00 0.00 C ATOM 273 O PRO A 21 3.017 -6.397 -4.379 1.00 0.00 O ATOM 274 CB PRO A 21 3.149 -6.161 -7.274 1.00 0.00 C ATOM 275 CG PRO A 21 4.650 -5.923 -7.317 1.00 0.00 C ATOM 276 CD PRO A 21 4.922 -4.549 -6.728 1.00 0.00 C ATOM 0 HA PRO A 21 1.640 -4.711 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.922 -7.160 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.713 -6.085 -8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.175 -6.692 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.016 -5.978 -8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.628 -4.606 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.355 -3.878 -7.470 1.00 0.00 H new ATOM 284 N VAL A 22 1.099 -5.202 -4.455 1.00 0.00 N ATOM 285 CA VAL A 22 0.651 -5.628 -3.140 1.00 0.00 C ATOM 286 C VAL A 22 -0.366 -6.760 -3.295 1.00 0.00 C ATOM 287 O VAL A 22 -1.120 -6.794 -4.267 1.00 0.00 O ATOM 288 CB VAL A 22 0.099 -4.431 -2.362 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.313 -4.841 -0.947 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.113 -3.285 -2.328 1.00 0.00 C ATOM 0 H VAL A 22 0.464 -4.565 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 22 1.487 -6.019 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.791 -4.075 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.702 -3.973 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.085 -5.609 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.554 -5.234 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.696 -2.447 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.029 -3.624 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.337 -2.967 -3.346 1.00 0.00 H new ATOM 300 N VAL A 23 -0.355 -7.660 -2.322 1.00 0.00 N ATOM 301 CA VAL A 23 -1.267 -8.791 -2.338 1.00 0.00 C ATOM 302 C VAL A 23 -2.219 -8.690 -1.144 1.00 0.00 C ATOM 303 O VAL A 23 -1.844 -8.182 -0.088 1.00 0.00 O ATOM 304 CB VAL A 23 -0.477 -10.100 -2.363 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.403 -11.304 -2.179 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.335 -10.226 -3.654 1.00 0.00 C ATOM 0 H VAL A 23 0.271 -7.629 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.876 -8.777 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 23 0.222 -10.084 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.815 -12.222 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.917 -11.225 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.138 -11.324 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.887 -11.166 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.339 -10.208 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.035 -9.394 -3.726 1.00 0.00 H new ATOM 316 N VAL A 24 -3.432 -9.181 -1.352 1.00 0.00 N ATOM 317 CA VAL A 24 -4.440 -9.152 -0.306 1.00 0.00 C ATOM 318 C VAL A 24 -5.465 -10.259 -0.561 1.00 0.00 C ATOM 319 O VAL A 24 -5.455 -10.887 -1.619 1.00 0.00 O ATOM 320 CB VAL A 24 -5.071 -7.761 -0.225 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.116 -6.763 0.432 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.505 -7.274 -1.610 1.00 0.00 C ATOM 0 H VAL A 24 -3.739 -9.601 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.987 -9.346 0.666 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.962 -7.833 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.589 -5.782 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.878 -7.098 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.199 -6.697 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.950 -6.283 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.637 -7.226 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.237 -7.966 -2.026 1.00 0.00 H new ATOM 332 N VAL A 25 -6.324 -10.465 0.426 1.00 0.00 N ATOM 333 CA VAL A 25 -7.353 -11.486 0.322 1.00 0.00 C ATOM 334 C VAL A 25 -8.308 -11.126 -0.818 1.00 0.00 C ATOM 335 O VAL A 25 -8.441 -9.957 -1.176 1.00 0.00 O ATOM 336 CB VAL A 25 -8.063 -11.652 1.667 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.080 -12.089 2.755 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.788 -10.365 2.067 1.00 0.00 C ATOM 0 H VAL A 25 -6.329 -9.942 1.302 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.910 -12.453 0.082 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.811 -12.437 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.610 -12.200 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.630 -13.042 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.299 -11.337 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.284 -10.510 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.067 -9.552 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.530 -10.115 1.309 1.00 0.00 H new ATOM 348 N GLN A 26 -8.950 -12.153 -1.356 1.00 0.00 N ATOM 349 CA GLN A 26 -9.889 -11.960 -2.448 1.00 0.00 C ATOM 350 C GLN A 26 -10.901 -10.869 -2.091 1.00 0.00 C ATOM 351 O GLN A 26 -11.413 -10.181 -2.972 1.00 0.00 O ATOM 352 CB GLN A 26 -10.596 -13.270 -2.801 1.00 0.00 C ATOM 353 CG GLN A 26 -10.223 -13.732 -4.210 1.00 0.00 C ATOM 354 CD GLN A 26 -11.447 -14.274 -4.952 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.886 -15.393 -4.744 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.971 -13.420 -5.826 1.00 0.00 N ATOM 0 H GLN A 26 -8.838 -13.121 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.332 -11.638 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.325 -14.040 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.675 -13.135 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.794 -12.899 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.457 -14.505 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.554 -12.498 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.791 -13.687 -6.371 1.00 0.00 H new ATOM 365 N ASN A 27 -11.159 -10.747 -0.797 1.00 0.00 N ATOM 366 CA ASN A 27 -12.100 -9.751 -0.313 1.00 0.00 C ATOM 367 C ASN A 27 -11.429 -8.904 0.770 1.00 0.00 C ATOM 368 O ASN A 27 -11.820 -8.955 1.935 1.00 0.00 O ATOM 369 CB ASN A 27 -13.334 -10.414 0.303 1.00 0.00 C ATOM 370 CG ASN A 27 -14.447 -10.574 -0.735 1.00 0.00 C ATOM 371 OD1 ASN A 27 -15.519 -10.003 -0.627 1.00 0.00 O ATOM 372 ND2 ASN A 27 -14.132 -11.381 -1.744 1.00 0.00 N ATOM 0 H ASN A 27 -10.733 -11.321 -0.069 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.405 -9.136 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.064 -11.390 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.695 -9.814 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.807 -11.553 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.215 -11.828 -1.773 1.00 0.00 H new ATOM 379 N ALA A 28 -10.429 -8.145 0.347 1.00 0.00 N ATOM 380 CA ALA A 28 -9.699 -7.288 1.266 1.00 0.00 C ATOM 381 C ALA A 28 -10.397 -5.929 1.353 1.00 0.00 C ATOM 382 O ALA A 28 -11.376 -5.684 0.650 1.00 0.00 O ATOM 383 CB ALA A 28 -8.245 -7.169 0.807 1.00 0.00 C ATOM 0 H ALA A 28 -10.107 -8.106 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.690 -7.718 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.697 -6.526 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.786 -8.158 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.213 -6.738 -0.194 1.00 0.00 H new ATOM 389 N THR A 29 -9.865 -5.081 2.221 1.00 0.00 N ATOM 390 CA THR A 29 -10.424 -3.753 2.408 1.00 0.00 C ATOM 391 C THR A 29 -9.330 -2.691 2.287 1.00 0.00 C ATOM 392 O THR A 29 -8.189 -3.006 1.951 1.00 0.00 O ATOM 393 CB THR A 29 -11.147 -3.730 3.756 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.109 -3.936 4.710 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.072 -4.935 3.946 1.00 0.00 C ATOM 0 H THR A 29 -9.053 -5.288 2.802 1.00 0.00 H new ATOM 0 HA THR A 29 -11.149 -3.516 1.630 1.00 0.00 H new ATOM 0 HB THR A 29 -11.727 -2.811 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.490 -3.934 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.560 -4.869 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.828 -4.941 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.488 -5.854 3.895 1.00 0.00 H new ATOM 403 N VAL A 30 -9.715 -1.455 2.569 1.00 0.00 N ATOM 404 CA VAL A 30 -8.780 -0.345 2.497 1.00 0.00 C ATOM 405 C VAL A 30 -7.683 -0.539 3.545 1.00 0.00 C ATOM 406 O VAL A 30 -6.503 -0.344 3.257 1.00 0.00 O ATOM 407 CB VAL A 30 -9.529 0.980 2.653 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.563 2.165 2.595 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.628 1.116 1.598 1.00 0.00 C ATOM 0 H VAL A 30 -10.662 -1.198 2.848 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.295 -0.316 1.521 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.005 0.983 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.120 3.095 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.833 2.079 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.046 2.166 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.145 2.066 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.184 1.081 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.340 0.298 1.706 1.00 0.00 H new ATOM 419 N LEU A 31 -8.110 -0.920 4.739 1.00 0.00 N ATOM 420 CA LEU A 31 -7.178 -1.143 5.832 1.00 0.00 C ATOM 421 C LEU A 31 -6.116 -2.152 5.393 1.00 0.00 C ATOM 422 O LEU A 31 -4.938 -1.814 5.289 1.00 0.00 O ATOM 423 CB LEU A 31 -7.929 -1.552 7.101 1.00 0.00 C ATOM 424 CG LEU A 31 -7.156 -1.406 8.414 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.441 -0.055 8.482 1.00 0.00 C ATOM 426 CD2 LEU A 31 -8.073 -1.631 9.618 1.00 0.00 C ATOM 0 H LEU A 31 -9.089 -1.080 4.974 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.656 -0.220 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.839 -0.955 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.237 -2.592 6.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.388 -2.179 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.899 0.023 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.739 0.027 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.175 0.749 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.499 -1.522 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.879 -0.897 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.495 -2.635 9.571 1.00 0.00 H new ATOM 438 N ASP A 32 -6.571 -3.373 5.147 1.00 0.00 N ATOM 439 CA ASP A 32 -5.674 -4.434 4.722 1.00 0.00 C ATOM 440 C ASP A 32 -4.678 -3.876 3.703 1.00 0.00 C ATOM 441 O ASP A 32 -3.467 -3.976 3.894 1.00 0.00 O ATOM 442 CB ASP A 32 -6.447 -5.573 4.054 1.00 0.00 C ATOM 443 CG ASP A 32 -6.441 -6.896 4.822 1.00 0.00 C ATOM 444 OD1 ASP A 32 -7.085 -6.934 5.893 1.00 0.00 O ATOM 445 OD2 ASP A 32 -5.792 -7.840 4.321 1.00 0.00 O ATOM 0 H ASP A 32 -7.549 -3.650 5.234 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.160 -4.816 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.481 -5.257 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.028 -5.744 3.062 1.00 0.00 H new ATOM 450 N LEU A 33 -5.226 -3.302 2.642 1.00 0.00 N ATOM 451 CA LEU A 33 -4.400 -2.728 1.592 1.00 0.00 C ATOM 452 C LEU A 33 -3.203 -2.015 2.223 1.00 0.00 C ATOM 453 O LEU A 33 -2.061 -2.432 2.042 1.00 0.00 O ATOM 454 CB LEU A 33 -5.240 -1.832 0.680 1.00 0.00 C ATOM 455 CG LEU A 33 -4.845 -1.822 -0.798 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.569 -1.007 -1.020 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.718 -3.246 -1.341 1.00 0.00 C ATOM 0 H LEU A 33 -6.231 -3.222 2.486 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.001 -3.512 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.281 -2.145 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.186 -0.811 1.057 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.640 -1.333 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.311 -1.016 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.733 0.021 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.753 -1.444 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.436 -3.210 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.954 -3.783 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.673 -3.761 -1.238 1.00 0.00 H new ATOM 469 N LYS A 34 -3.506 -0.950 2.952 1.00 0.00 N ATOM 470 CA LYS A 34 -2.469 -0.174 3.610 1.00 0.00 C ATOM 471 C LYS A 34 -1.475 -1.125 4.280 1.00 0.00 C ATOM 472 O LYS A 34 -0.301 -1.160 3.913 1.00 0.00 O ATOM 473 CB LYS A 34 -3.089 0.843 4.571 1.00 0.00 C ATOM 474 CG LYS A 34 -3.571 2.085 3.818 1.00 0.00 C ATOM 475 CD LYS A 34 -5.093 2.222 3.904 1.00 0.00 C ATOM 476 CE LYS A 34 -5.493 3.645 4.298 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.466 4.537 3.117 1.00 0.00 N ATOM 0 H LYS A 34 -4.455 -0.607 3.101 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.910 0.411 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.926 0.386 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.356 1.131 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.098 2.974 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.266 2.022 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.540 1.968 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.485 1.515 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.492 3.641 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.813 4.022 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.740 5.499 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.506 4.555 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.133 4.185 2.401 1.00 0.00 H new ATOM 491 N LYS A 35 -1.980 -1.873 5.249 1.00 0.00 N ATOM 492 CA LYS A 35 -1.151 -2.821 5.973 1.00 0.00 C ATOM 493 C LYS A 35 -0.217 -3.530 4.990 1.00 0.00 C ATOM 494 O LYS A 35 1.003 -3.436 5.110 1.00 0.00 O ATOM 495 CB LYS A 35 -2.020 -3.777 6.793 1.00 0.00 C ATOM 496 CG LYS A 35 -2.474 -3.122 8.099 1.00 0.00 C ATOM 497 CD LYS A 35 -3.998 -2.998 8.149 1.00 0.00 C ATOM 498 CE LYS A 35 -4.604 -4.052 9.078 1.00 0.00 C ATOM 499 NZ LYS A 35 -4.797 -5.329 8.355 1.00 0.00 N ATOM 0 H LYS A 35 -2.954 -1.842 5.550 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.521 -2.301 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.891 -4.074 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.459 -4.685 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.126 -3.712 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.022 -2.134 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.274 -2.002 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.409 -3.113 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.950 -4.208 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.560 -3.698 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.014 -6.084 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.585 -5.232 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.928 -5.569 7.837 1.00 0.00 H new ATOM 513 N ALA A 36 -0.827 -4.223 4.039 1.00 0.00 N ATOM 514 CA ALA A 36 -0.065 -4.947 3.036 1.00 0.00 C ATOM 515 C ALA A 36 1.086 -4.068 2.543 1.00 0.00 C ATOM 516 O ALA A 36 2.254 -4.385 2.765 1.00 0.00 O ATOM 517 CB ALA A 36 -0.996 -5.379 1.901 1.00 0.00 C ATOM 0 H ALA A 36 -1.840 -4.298 3.942 1.00 0.00 H new ATOM 0 HA ALA A 36 0.370 -5.851 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.424 -5.922 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.779 -6.025 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.449 -4.498 1.447 1.00 0.00 H new ATOM 523 N ILE A 37 0.717 -2.980 1.883 1.00 0.00 N ATOM 524 CA ILE A 37 1.704 -2.052 1.357 1.00 0.00 C ATOM 525 C ILE A 37 2.839 -1.893 2.371 1.00 0.00 C ATOM 526 O ILE A 37 4.004 -1.781 1.992 1.00 0.00 O ATOM 527 CB ILE A 37 1.042 -0.731 0.963 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.029 -0.940 -0.164 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.091 0.323 0.604 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.930 0.248 -0.268 1.00 0.00 C ATOM 0 H ILE A 37 -0.252 -2.720 1.700 1.00 0.00 H new ATOM 0 HA ILE A 37 2.146 -2.445 0.441 1.00 0.00 H new ATOM 0 HB ILE A 37 0.491 -0.355 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.554 -1.072 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.537 -1.854 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.593 1.252 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.738 0.500 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.690 -0.031 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.639 0.073 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.471 0.362 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.363 1.156 -0.472 1.00 0.00 H new ATOM 542 N GLN A 38 2.460 -1.889 3.640 1.00 0.00 N ATOM 543 CA GLN A 38 3.431 -1.745 4.712 1.00 0.00 C ATOM 544 C GLN A 38 4.173 -3.064 4.936 1.00 0.00 C ATOM 545 O GLN A 38 5.398 -3.080 5.049 1.00 0.00 O ATOM 546 CB GLN A 38 2.759 -1.268 6.001 1.00 0.00 C ATOM 547 CG GLN A 38 3.009 0.224 6.230 1.00 0.00 C ATOM 548 CD GLN A 38 2.416 0.680 7.564 1.00 0.00 C ATOM 549 OE1 GLN A 38 3.118 0.961 8.522 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.087 0.739 7.573 1.00 0.00 N ATOM 0 H GLN A 38 1.493 -1.983 3.951 1.00 0.00 H new ATOM 0 HA GLN A 38 4.157 -0.987 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.687 -1.457 5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.141 -1.839 6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.081 0.423 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.568 0.800 5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.560 0.490 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.595 1.033 8.417 1.00 0.00 H new ATOM 559 N ARG A 39 3.400 -4.139 4.992 1.00 0.00 N ATOM 560 CA ARG A 39 3.969 -5.460 5.201 1.00 0.00 C ATOM 561 C ARG A 39 4.785 -5.885 3.978 1.00 0.00 C ATOM 562 O ARG A 39 5.462 -6.911 4.006 1.00 0.00 O ATOM 563 CB ARG A 39 2.874 -6.496 5.460 1.00 0.00 C ATOM 564 CG ARG A 39 3.027 -7.119 6.850 1.00 0.00 C ATOM 565 CD ARG A 39 2.533 -6.162 7.937 1.00 0.00 C ATOM 566 NE ARG A 39 3.328 -6.347 9.172 1.00 0.00 N ATOM 567 CZ ARG A 39 3.121 -7.330 10.058 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.145 -8.224 9.852 1.00 0.00 N ATOM 569 NH2 ARG A 39 3.891 -7.420 11.151 1.00 0.00 N ATOM 0 H ARG A 39 2.385 -4.122 4.896 1.00 0.00 H new ATOM 0 HA ARG A 39 4.618 -5.408 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.895 -6.025 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.920 -7.277 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.465 -8.051 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.073 -7.368 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.616 -5.132 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.478 -6.345 8.142 1.00 0.00 H new ATOM 0 HE ARG A 39 4.080 -5.685 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.559 -8.156 9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.988 -8.972 10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.635 -6.740 11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.733 -8.169 11.826 1.00 0.00 H new ATOM 583 N TYR A 40 4.692 -5.075 2.934 1.00 0.00 N ATOM 584 CA TYR A 40 5.414 -5.355 1.704 1.00 0.00 C ATOM 585 C TYR A 40 6.832 -4.783 1.758 1.00 0.00 C ATOM 586 O TYR A 40 7.774 -5.402 1.265 1.00 0.00 O ATOM 587 CB TYR A 40 4.635 -4.652 0.590 1.00 0.00 C ATOM 588 CG TYR A 40 5.344 -4.662 -0.766 1.00 0.00 C ATOM 589 CD1 TYR A 40 5.213 -5.750 -1.605 1.00 0.00 C ATOM 590 CD2 TYR A 40 6.114 -3.583 -1.150 1.00 0.00 C ATOM 591 CE1 TYR A 40 5.880 -5.760 -2.881 1.00 0.00 C ATOM 592 CE2 TYR A 40 6.781 -3.593 -2.427 1.00 0.00 C ATOM 593 CZ TYR A 40 6.631 -4.681 -3.229 1.00 0.00 C ATOM 594 OH TYR A 40 7.261 -4.690 -4.434 1.00 0.00 O ATOM 0 H TYR A 40 4.128 -4.225 2.914 1.00 0.00 H new ATOM 0 HA TYR A 40 5.497 -6.430 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.662 -5.131 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.451 -3.619 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.610 -6.594 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.217 -2.732 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.786 -6.605 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.386 -2.755 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 40 7.760 -3.854 -4.549 1.00 0.00 H new ATOM 604 N VAL A 41 6.939 -3.608 2.360 1.00 0.00 N ATOM 605 CA VAL A 41 8.227 -2.946 2.485 1.00 0.00 C ATOM 606 C VAL A 41 8.852 -3.306 3.834 1.00 0.00 C ATOM 607 O VAL A 41 10.060 -3.520 3.925 1.00 0.00 O ATOM 608 CB VAL A 41 8.061 -1.438 2.286 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.421 -0.751 2.148 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.170 -1.139 1.079 1.00 0.00 C ATOM 0 H VAL A 41 6.155 -3.097 2.767 1.00 0.00 H new ATOM 0 HA VAL A 41 8.910 -3.290 1.709 1.00 0.00 H new ATOM 0 HB VAL A 41 7.570 -1.035 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.275 0.320 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.008 -0.922 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.950 -1.161 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.068 -0.060 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.620 -1.562 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.186 -1.581 1.235 1.00 0.00 H new ATOM 620 N GLN A 42 8.002 -3.362 4.849 1.00 0.00 N ATOM 621 CA GLN A 42 8.456 -3.693 6.189 1.00 0.00 C ATOM 622 C GLN A 42 9.088 -5.086 6.206 1.00 0.00 C ATOM 623 O GLN A 42 10.293 -5.222 6.414 1.00 0.00 O ATOM 624 CB GLN A 42 7.308 -3.599 7.195 1.00 0.00 C ATOM 625 CG GLN A 42 7.831 -3.269 8.595 1.00 0.00 C ATOM 626 CD GLN A 42 7.297 -4.262 9.628 1.00 0.00 C ATOM 627 OE1 GLN A 42 6.892 -5.369 9.312 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.317 -3.807 10.878 1.00 0.00 N ATOM 0 H GLN A 42 7.001 -3.184 4.770 1.00 0.00 H new ATOM 0 HA GLN A 42 9.214 -2.968 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.602 -2.832 6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.763 -4.543 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.921 -3.290 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.532 -2.257 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.669 -2.870 11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.980 -4.395 11.640 1.00 0.00 H new ATOM 637 N LEU A 43 8.247 -6.085 5.985 1.00 0.00 N ATOM 638 CA LEU A 43 8.709 -7.463 5.972 1.00 0.00 C ATOM 639 C LEU A 43 9.963 -7.568 5.103 1.00 0.00 C ATOM 640 O LEU A 43 10.905 -8.279 5.449 1.00 0.00 O ATOM 641 CB LEU A 43 7.581 -8.402 5.541 1.00 0.00 C ATOM 642 CG LEU A 43 7.586 -8.825 4.071 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.711 -9.823 3.791 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.219 -9.371 3.653 1.00 0.00 C ATOM 0 H LEU A 43 7.248 -5.968 5.813 1.00 0.00 H new ATOM 0 HA LEU A 43 8.990 -7.780 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.627 -9.300 6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.629 -7.917 5.756 1.00 0.00 H new ATOM 0 HG LEU A 43 7.780 -7.942 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.692 -10.107 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.671 -9.364 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.573 -10.710 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.250 -9.664 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.971 -10.238 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.461 -8.600 3.792 1.00 0.00 H new ATOM 656 N LYS A 44 9.935 -6.850 3.990 1.00 0.00 N ATOM 657 CA LYS A 44 11.058 -6.854 3.068 1.00 0.00 C ATOM 658 C LYS A 44 12.356 -6.645 3.851 1.00 0.00 C ATOM 659 O LYS A 44 13.203 -7.535 3.902 1.00 0.00 O ATOM 660 CB LYS A 44 10.840 -5.828 1.953 1.00 0.00 C ATOM 661 CG LYS A 44 11.050 -6.461 0.577 1.00 0.00 C ATOM 662 CD LYS A 44 10.633 -5.500 -0.538 1.00 0.00 C ATOM 663 CE LYS A 44 11.845 -5.053 -1.359 1.00 0.00 C ATOM 664 NZ LYS A 44 11.429 -4.127 -2.435 1.00 0.00 N ATOM 0 H LYS A 44 9.152 -6.261 3.706 1.00 0.00 H new ATOM 0 HA LYS A 44 11.138 -7.820 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.831 -5.422 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.529 -4.993 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.098 -6.733 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.471 -7.382 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.907 -5.987 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.140 -4.629 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.571 -4.563 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.340 -5.923 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.263 -3.834 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.754 -4.607 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.977 -3.289 -2.016 1.00 0.00 H new ATOM 678 N GLN A 45 12.470 -5.464 4.440 1.00 0.00 N ATOM 679 CA GLN A 45 13.650 -5.127 5.218 1.00 0.00 C ATOM 680 C GLN A 45 13.988 -6.261 6.188 1.00 0.00 C ATOM 681 O GLN A 45 15.088 -6.811 6.146 1.00 0.00 O ATOM 682 CB GLN A 45 13.455 -3.806 5.966 1.00 0.00 C ATOM 683 CG GLN A 45 13.587 -2.614 5.016 1.00 0.00 C ATOM 684 CD GLN A 45 13.348 -1.296 5.755 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.885 -1.261 6.883 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.690 -0.216 5.058 1.00 0.00 N ATOM 0 H GLN A 45 11.765 -4.729 4.394 1.00 0.00 H new ATOM 0 HA GLN A 45 14.488 -4.999 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.473 -3.793 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.193 -3.723 6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.581 -2.609 4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.871 -2.713 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.072 -0.316 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.570 0.712 5.464 1.00 0.00 H new ATOM 695 N GLU A 46 13.023 -6.578 7.038 1.00 0.00 N ATOM 696 CA GLU A 46 13.204 -7.637 8.016 1.00 0.00 C ATOM 697 C GLU A 46 13.955 -8.814 7.391 1.00 0.00 C ATOM 698 O GLU A 46 14.938 -9.297 7.952 1.00 0.00 O ATOM 699 CB GLU A 46 11.861 -8.087 8.593 1.00 0.00 C ATOM 700 CG GLU A 46 11.858 -7.989 10.120 1.00 0.00 C ATOM 701 CD GLU A 46 12.035 -9.368 10.758 1.00 0.00 C ATOM 702 OE1 GLU A 46 13.206 -9.765 10.938 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.994 -9.994 11.052 1.00 0.00 O ATOM 0 H GLU A 46 12.112 -6.120 7.070 1.00 0.00 H new ATOM 0 HA GLU A 46 13.802 -7.246 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.061 -7.470 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.658 -9.114 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.660 -7.327 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.921 -7.546 10.458 1.00 0.00 H new ATOM 832 N SER A 55 8.561 6.321 8.781 1.00 0.00 N ATOM 833 CA SER A 55 7.363 7.012 9.227 1.00 0.00 C ATOM 834 C SER A 55 6.224 6.778 8.232 1.00 0.00 C ATOM 835 O SER A 55 5.976 7.609 7.360 1.00 0.00 O ATOM 836 CB SER A 55 7.621 8.510 9.394 1.00 0.00 C ATOM 837 OG SER A 55 7.623 9.195 8.145 1.00 0.00 O ATOM 0 HA SER A 55 7.078 6.609 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.856 8.939 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.580 8.659 9.891 1.00 0.00 H new ATOM 0 HG SER A 55 6.787 9.009 7.669 1.00 0.00 H new ATOM 843 N TRP A 56 5.562 5.642 8.396 1.00 0.00 N ATOM 844 CA TRP A 56 4.456 5.288 7.523 1.00 0.00 C ATOM 845 C TRP A 56 3.250 6.144 7.917 1.00 0.00 C ATOM 846 O TRP A 56 2.575 6.705 7.056 1.00 0.00 O ATOM 847 CB TRP A 56 4.168 3.786 7.584 1.00 0.00 C ATOM 848 CG TRP A 56 5.087 2.940 6.701 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.097 2.147 7.083 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.037 2.833 5.263 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.701 1.540 6.000 1.00 0.00 N ATOM 852 CE2 TRP A 56 6.035 1.971 4.858 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.177 3.446 4.334 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.268 1.642 3.517 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.423 3.107 2.998 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.424 2.240 2.574 1.00 0.00 C ATOM 0 H TRP A 56 5.770 4.955 9.120 1.00 0.00 H new ATOM 0 HA TRP A 56 4.705 5.495 6.482 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.263 3.450 8.617 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.134 3.612 7.286 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.401 2.001 8.109 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.490 0.895 6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.390 4.124 4.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.056 0.964 3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.790 3.550 2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.550 2.029 1.522 1.00 0.00 H new ATOM 867 N SER A 57 3.017 6.217 9.219 1.00 0.00 N ATOM 868 CA SER A 57 1.905 6.995 9.738 1.00 0.00 C ATOM 869 C SER A 57 1.773 8.304 8.956 1.00 0.00 C ATOM 870 O SER A 57 0.745 8.555 8.328 1.00 0.00 O ATOM 871 CB SER A 57 2.083 7.284 11.230 1.00 0.00 C ATOM 872 OG SER A 57 1.516 6.261 12.043 1.00 0.00 O ATOM 0 H SER A 57 3.579 5.750 9.930 1.00 0.00 H new ATOM 0 HA SER A 57 0.993 6.411 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.145 7.380 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.618 8.239 11.472 1.00 0.00 H new ATOM 0 HG SER A 57 1.652 6.481 12.988 1.00 0.00 H new ATOM 878 N TYR A 58 2.827 9.103 9.020 1.00 0.00 N ATOM 879 CA TYR A 58 2.842 10.380 8.325 1.00 0.00 C ATOM 880 C TYR A 58 2.315 10.233 6.896 1.00 0.00 C ATOM 881 O TYR A 58 1.399 10.948 6.492 1.00 0.00 O ATOM 882 CB TYR A 58 4.307 10.815 8.273 1.00 0.00 C ATOM 883 CG TYR A 58 4.511 12.261 7.817 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.145 13.304 8.644 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.061 12.523 6.579 1.00 0.00 C ATOM 886 CE1 TYR A 58 4.337 14.665 8.215 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.253 13.884 6.150 1.00 0.00 C ATOM 888 CZ TYR A 58 4.882 14.888 6.989 1.00 0.00 C ATOM 889 OH TYR A 58 5.063 16.173 6.584 1.00 0.00 O ATOM 0 H TYR A 58 3.677 8.892 9.542 1.00 0.00 H new ATOM 0 HA TYR A 58 2.209 11.104 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.747 10.691 9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.848 10.152 7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.715 13.099 9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.347 11.707 5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.055 15.490 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.682 14.103 5.183 1.00 0.00 H new ATOM 0 HH TYR A 58 5.462 16.181 5.689 1.00 0.00 H new ATOM 899 N VAL A 59 2.916 9.301 6.171 1.00 0.00 N ATOM 900 CA VAL A 59 2.519 9.051 4.796 1.00 0.00 C ATOM 901 C VAL A 59 1.002 8.861 4.734 1.00 0.00 C ATOM 902 O VAL A 59 0.322 9.522 3.950 1.00 0.00 O ATOM 903 CB VAL A 59 3.294 7.856 4.237 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.716 7.409 2.892 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.784 8.179 4.113 1.00 0.00 C ATOM 0 H VAL A 59 3.675 8.710 6.510 1.00 0.00 H new ATOM 0 HA VAL A 59 2.766 9.906 4.166 1.00 0.00 H new ATOM 0 HB VAL A 59 3.188 7.029 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.285 6.558 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.673 7.119 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.778 8.231 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.312 7.313 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.918 9.027 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.186 8.427 5.096 1.00 0.00 H new ATOM 915 N TRP A 60 0.516 7.956 5.571 1.00 0.00 N ATOM 916 CA TRP A 60 -0.908 7.671 5.621 1.00 0.00 C ATOM 917 C TRP A 60 -1.626 8.933 6.106 1.00 0.00 C ATOM 918 O TRP A 60 -2.798 9.141 5.798 1.00 0.00 O ATOM 919 CB TRP A 60 -1.192 6.449 6.496 1.00 0.00 C ATOM 920 CG TRP A 60 -0.452 5.184 6.057 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.502 4.515 6.718 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.647 4.458 4.825 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.936 3.416 6.005 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.215 3.380 4.817 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.521 4.704 3.752 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.286 2.463 3.762 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.438 3.779 2.705 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.576 2.689 2.682 1.00 0.00 C ATOM 0 H TRP A 60 1.083 7.411 6.220 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.285 7.414 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.917 6.680 7.525 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.264 6.251 6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.884 4.800 7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.654 2.752 6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.203 5.541 3.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.969 1.626 3.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.089 3.922 1.856 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.571 2.019 1.835 1.00 0.00 H new ATOM 939 N ARG A 61 -0.891 9.742 6.855 1.00 0.00 N ATOM 940 CA ARG A 61 -1.443 10.977 7.385 1.00 0.00 C ATOM 941 C ARG A 61 -1.145 12.141 6.437 1.00 0.00 C ATOM 942 O ARG A 61 -1.199 13.303 6.839 1.00 0.00 O ATOM 943 CB ARG A 61 -0.864 11.292 8.766 1.00 0.00 C ATOM 944 CG ARG A 61 -1.948 11.226 9.843 1.00 0.00 C ATOM 945 CD ARG A 61 -1.336 11.311 11.243 1.00 0.00 C ATOM 946 NE ARG A 61 -2.012 12.368 12.028 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.327 12.388 12.285 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.115 11.409 11.820 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.854 13.387 13.006 1.00 0.00 N ATOM 0 H ARG A 61 0.082 9.566 7.107 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.521 10.845 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.069 10.584 9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.414 12.285 8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.656 12.042 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.509 10.297 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.434 10.351 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.270 11.526 11.170 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.441 13.129 12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.714 10.649 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.116 11.424 12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.254 14.132 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.855 13.402 13.201 1.00 0.00 H new ATOM 963 N THR A 62 -0.837 11.789 5.198 1.00 0.00 N ATOM 964 CA THR A 62 -0.530 12.790 4.190 1.00 0.00 C ATOM 965 C THR A 62 -1.140 12.395 2.843 1.00 0.00 C ATOM 966 O THR A 62 -1.799 13.207 2.195 1.00 0.00 O ATOM 967 CB THR A 62 0.990 12.962 4.141 1.00 0.00 C ATOM 968 OG1 THR A 62 1.271 13.869 5.204 1.00 0.00 O ATOM 969 CG2 THR A 62 1.455 13.702 2.886 1.00 0.00 C ATOM 0 H THR A 62 -0.793 10.825 4.869 1.00 0.00 H new ATOM 0 HA THR A 62 -0.973 13.754 4.442 1.00 0.00 H new ATOM 0 HB THR A 62 1.468 11.983 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.236 14.035 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.541 13.797 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.152 13.143 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.004 14.694 2.861 1.00 0.00 H new ATOM 977 N TYR A 63 -0.899 11.149 2.463 1.00 0.00 N ATOM 978 CA TYR A 63 -1.417 10.637 1.206 1.00 0.00 C ATOM 979 C TYR A 63 -2.519 9.604 1.447 1.00 0.00 C ATOM 980 O TYR A 63 -2.760 9.201 2.584 1.00 0.00 O ATOM 981 CB TYR A 63 -0.237 9.955 0.511 1.00 0.00 C ATOM 982 CG TYR A 63 0.902 10.906 0.140 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.847 11.621 -1.040 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.984 11.050 0.984 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.919 12.516 -1.389 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.056 11.946 0.635 1.00 0.00 C ATOM 987 CZ TYR A 63 2.971 12.635 -0.534 1.00 0.00 C ATOM 988 OH TYR A 63 3.983 13.481 -0.864 1.00 0.00 O ATOM 0 H TYR A 63 -0.352 10.479 3.004 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.844 11.443 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.154 9.174 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.596 9.464 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.000 11.509 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.027 10.490 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.889 13.081 -2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.908 12.068 1.287 1.00 0.00 H new ATOM 0 HH TYR A 63 4.665 13.465 -0.161 1.00 0.00 H new ATOM 998 N HIS A 64 -3.159 9.204 0.358 1.00 0.00 N ATOM 999 CA HIS A 64 -4.230 8.225 0.437 1.00 0.00 C ATOM 1000 C HIS A 64 -4.264 7.396 -0.849 1.00 0.00 C ATOM 1001 O HIS A 64 -3.637 7.760 -1.843 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.567 8.905 0.738 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.701 9.393 2.161 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -5.176 10.489 2.780 1.00 0.00 N flip ATOM 1005 CD2 HIS A 64 -6.446 8.724 3.116 1.00 0.00 C flip ATOM 1006 CE1 HIS A 64 -5.580 10.491 4.045 1.00 0.00 C flip ATOM 1007 NE2 HIS A 64 -6.367 9.397 4.255 1.00 0.00 N flip ATOM 0 H HIS A 64 -2.957 9.540 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.041 7.541 1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.694 9.750 0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.375 8.204 0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.998 7.809 2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.327 11.236 4.785 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.816 9.142 5.134 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.001 6.297 -0.788 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.124 5.414 -1.935 1.00 0.00 C ATOM 1017 C LEU A 65 -6.373 5.793 -2.733 1.00 0.00 C ATOM 1018 O LEU A 65 -7.451 5.962 -2.164 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.100 3.950 -1.489 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.995 3.568 -0.502 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.297 2.225 0.166 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.625 3.574 -1.184 1.00 0.00 C ATOM 0 H LEU A 65 -5.519 5.998 0.038 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.270 5.534 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.063 3.713 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.002 3.322 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.966 4.320 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.496 1.977 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.241 2.292 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.369 1.448 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.857 3.299 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.624 2.857 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.417 4.571 -1.573 1.00 0.00 H new ATOM 1034 N THR A 66 -6.188 5.915 -4.039 1.00 0.00 N ATOM 1035 CA THR A 66 -7.286 6.271 -4.921 1.00 0.00 C ATOM 1036 C THR A 66 -7.734 5.053 -5.733 1.00 0.00 C ATOM 1037 O THR A 66 -7.087 4.008 -5.699 1.00 0.00 O ATOM 1038 CB THR A 66 -6.833 7.446 -5.789 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.805 7.503 -6.830 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.520 7.163 -6.520 1.00 0.00 C ATOM 0 H THR A 66 -5.293 5.773 -4.508 1.00 0.00 H new ATOM 0 HA THR A 66 -8.163 6.585 -4.355 1.00 0.00 H new ATOM 0 HB THR A 66 -6.717 8.333 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.589 8.240 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.244 8.029 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.734 6.962 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.644 6.296 -7.169 1.00 0.00 H new ATOM 1048 N SER A 67 -8.839 5.230 -6.443 1.00 0.00 N ATOM 1049 CA SER A 67 -9.381 4.159 -7.261 1.00 0.00 C ATOM 1050 C SER A 67 -10.760 4.554 -7.794 1.00 0.00 C ATOM 1051 O SER A 67 -11.531 5.215 -7.100 1.00 0.00 O ATOM 1052 CB SER A 67 -9.472 2.852 -6.469 1.00 0.00 C ATOM 1053 OG SER A 67 -10.331 1.906 -7.099 1.00 0.00 O ATOM 0 H SER A 67 -9.373 6.099 -6.468 1.00 0.00 H new ATOM 0 HA SER A 67 -8.707 3.996 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.476 2.423 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.838 3.062 -5.464 1.00 0.00 H new ATOM 0 HG SER A 67 -11.146 1.798 -6.565 1.00 0.00 H new ATOM 1059 N ALA A 68 -11.028 4.132 -9.021 1.00 0.00 N ATOM 1060 CA ALA A 68 -12.300 4.434 -9.655 1.00 0.00 C ATOM 1061 C ALA A 68 -12.705 5.870 -9.318 1.00 0.00 C ATOM 1062 O ALA A 68 -13.747 6.098 -8.706 1.00 0.00 O ATOM 1063 CB ALA A 68 -13.348 3.413 -9.207 1.00 0.00 C ATOM 0 H ALA A 68 -10.386 3.583 -9.593 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.215 4.361 -10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.303 3.639 -9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.027 2.412 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.462 3.460 -8.124 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.859 6.802 -9.732 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.115 8.210 -9.482 1.00 0.00 C ATOM 1071 C GLY A 69 -12.706 8.420 -8.086 1.00 0.00 C ATOM 1072 O GLY A 69 -13.555 9.289 -7.892 1.00 0.00 O ATOM 0 H GLY A 69 -10.995 6.609 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.187 8.774 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.802 8.598 -10.234 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.235 7.610 -7.150 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.706 7.696 -5.778 1.00 0.00 C ATOM 1078 C GLU A 70 -11.540 7.518 -4.804 1.00 0.00 C ATOM 1079 O GLU A 70 -10.562 6.842 -5.118 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.806 6.667 -5.511 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.190 7.263 -5.773 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.969 7.436 -4.468 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.517 8.258 -3.642 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.999 6.742 -4.325 1.00 0.00 O ATOM 0 H GLU A 70 -11.531 6.890 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.135 8.686 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.655 5.795 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.744 6.323 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.086 8.228 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.747 6.615 -6.450 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.682 8.138 -3.642 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.653 8.056 -2.619 1.00 0.00 C ATOM 1093 C LYS A 71 -10.918 6.839 -1.731 1.00 0.00 C ATOM 1094 O LYS A 71 -12.055 6.595 -1.330 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.559 9.373 -1.847 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.859 10.566 -2.757 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.219 11.845 -2.214 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.100 12.333 -3.136 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.585 13.427 -4.007 1.00 0.00 N ATOM 0 H LYS A 71 -12.494 8.699 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.674 7.910 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.262 9.361 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.561 9.478 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.484 10.365 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.937 10.702 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.978 12.621 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.819 11.661 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.256 12.682 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.739 11.506 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.813 13.746 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.375 13.083 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.908 14.222 -3.419 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.849 6.108 -1.449 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.952 4.923 -0.615 1.00 0.00 C ATOM 1115 C LEU A 72 -9.617 5.291 0.831 1.00 0.00 C ATOM 1116 O LEU A 72 -8.465 5.189 1.251 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.086 3.794 -1.179 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.127 3.613 -2.698 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.149 2.524 -3.146 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.553 3.336 -3.179 1.00 0.00 C ATOM 0 H LEU A 72 -8.908 6.314 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.973 4.543 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.053 3.972 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.395 2.858 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.806 4.546 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.197 2.415 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.136 2.802 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.416 1.579 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.554 3.211 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.925 2.426 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.197 4.173 -2.910 1.00 0.00 H new ATOM 1132 N THR A 73 -10.644 5.712 1.555 1.00 0.00 N ATOM 1133 CA THR A 73 -10.472 6.097 2.945 1.00 0.00 C ATOM 1134 C THR A 73 -11.180 5.100 3.865 1.00 0.00 C ATOM 1135 O THR A 73 -10.576 4.573 4.798 1.00 0.00 O ATOM 1136 CB THR A 73 -10.975 7.533 3.104 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.381 7.434 2.900 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.498 8.449 1.975 1.00 0.00 C ATOM 0 H THR A 73 -11.598 5.795 1.205 1.00 0.00 H new ATOM 0 HA THR A 73 -9.422 6.072 3.236 1.00 0.00 H new ATOM 0 HB THR A 73 -10.638 7.931 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.787 8.321 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.883 9.456 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.408 8.475 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.862 8.070 1.020 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.452 4.871 3.570 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.248 3.947 4.359 1.00 0.00 C ATOM 1148 C GLU A 74 -12.491 2.633 4.562 1.00 0.00 C ATOM 1149 O GLU A 74 -12.014 2.032 3.601 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.609 3.700 3.704 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.735 4.333 4.524 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.560 5.297 3.670 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.178 6.486 3.627 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.554 4.823 3.079 1.00 0.00 O ATOM 0 H GLU A 74 -12.950 5.310 2.796 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.427 4.395 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.612 4.114 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.782 2.628 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.381 3.552 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.314 4.866 5.376 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.404 2.226 5.820 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.713 0.995 6.162 1.00 0.00 C ATOM 1163 C ASP A 75 -12.726 -0.149 6.240 1.00 0.00 C ATOM 1164 O ASP A 75 -12.441 -1.267 5.814 1.00 0.00 O ATOM 1165 CB ASP A 75 -11.024 1.110 7.524 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.774 2.541 8.003 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.860 3.178 7.436 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.503 2.966 8.926 1.00 0.00 O ATOM 0 H ASP A 75 -12.801 2.727 6.615 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.964 0.804 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.633 0.595 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.069 0.587 7.477 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.890 0.170 6.789 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.947 -0.817 6.929 1.00 0.00 C ATOM 1175 C ARG A 76 -15.418 -1.289 5.551 1.00 0.00 C ATOM 1176 O ARG A 76 -15.938 -2.395 5.415 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.138 -0.243 7.698 1.00 0.00 C ATOM 1178 CG ARG A 76 -16.050 -0.594 9.185 1.00 0.00 C ATOM 1179 CD ARG A 76 -17.319 -1.308 9.656 1.00 0.00 C ATOM 1180 NE ARG A 76 -17.109 -1.876 11.006 1.00 0.00 N ATOM 1181 CZ ARG A 76 -18.096 -2.321 11.796 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -19.367 -2.268 11.374 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -17.811 -2.820 13.006 1.00 0.00 N ATOM 0 H ARG A 76 -14.124 1.098 7.142 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.541 -1.661 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.166 0.840 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.067 -0.634 7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.183 -1.231 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.902 0.315 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.155 -0.608 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.581 -2.101 8.956 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.153 -1.932 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.583 -1.889 10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.118 -2.607 11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.843 -2.861 13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.562 -3.159 13.608 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.219 -0.426 4.566 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.617 -0.740 3.204 1.00 0.00 C ATOM 1199 C LYS A 77 -14.577 -1.669 2.575 1.00 0.00 C ATOM 1200 O LYS A 77 -13.389 -1.572 2.878 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.858 0.543 2.406 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.349 0.225 0.993 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.260 1.336 0.466 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.493 0.752 -0.227 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.684 1.587 0.042 1.00 0.00 N ATOM 0 H LYS A 77 -14.787 0.491 4.684 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.567 -1.274 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.593 1.162 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.936 1.121 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.495 0.103 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.889 -0.722 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.572 1.977 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.708 1.963 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.319 0.692 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.668 -0.265 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.511 1.176 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.858 1.623 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.521 2.550 -0.315 1.00 0.00 H new ATOM 1219 N LYS A 78 -15.061 -2.549 1.711 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.188 -3.495 1.037 1.00 0.00 C ATOM 1221 C LYS A 78 -13.765 -2.917 -0.315 1.00 0.00 C ATOM 1222 O LYS A 78 -14.517 -2.168 -0.937 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.859 -4.866 0.937 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.369 -5.328 2.304 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.888 -5.512 2.289 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.319 -6.596 3.278 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.674 -6.312 3.801 1.00 0.00 N ATOM 0 H LYS A 78 -16.047 -2.627 1.462 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.278 -3.653 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.689 -4.818 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.149 -5.594 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.888 -6.267 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.095 -4.597 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.374 -4.570 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.215 -5.780 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.309 -7.569 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.608 -6.648 4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.951 -7.058 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.673 -5.393 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.352 -6.286 3.013 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.563 -3.289 -0.732 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.032 -2.817 -1.999 1.00 0.00 C ATOM 1243 C LEU A 79 -13.003 -3.183 -3.123 1.00 0.00 C ATOM 1244 O LEU A 79 -13.221 -2.394 -4.041 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.613 -3.347 -2.215 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.630 -3.124 -1.063 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.281 -3.782 -1.358 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.484 -1.634 -0.749 1.00 0.00 C ATOM 0 H LEU A 79 -11.942 -3.912 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.945 -1.730 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.673 -4.417 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.204 -2.879 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.034 -3.604 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.601 -3.608 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.421 -4.854 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.858 -3.353 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.780 -1.503 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.114 -1.111 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.454 -1.225 -0.465 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.560 -4.380 -3.014 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.503 -4.860 -4.009 1.00 0.00 C ATOM 1262 C ARG A 80 -15.662 -3.873 -4.162 1.00 0.00 C ATOM 1263 O ARG A 80 -16.093 -3.584 -5.278 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.059 -6.233 -3.625 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.446 -7.036 -4.868 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.733 -7.828 -4.631 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.427 -8.064 -5.917 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.709 -8.438 -6.020 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -19.445 -8.621 -4.916 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.256 -8.629 -7.229 1.00 0.00 N ATOM 0 H ARG A 80 -13.376 -5.032 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.969 -4.949 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.314 -6.783 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.930 -6.109 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.581 -6.361 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.638 -7.719 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.501 -8.780 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.386 -7.281 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.896 -7.934 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.029 -8.476 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.421 -8.906 -4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.696 -8.490 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.232 -8.914 -7.308 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.134 -3.383 -3.025 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.235 -2.435 -3.019 1.00 0.00 C ATOM 1286 C ASP A 81 -16.815 -1.168 -3.768 1.00 0.00 C ATOM 1287 O ASP A 81 -17.661 -0.437 -4.281 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.610 -2.037 -1.590 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.099 -3.186 -0.706 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -18.831 -4.044 -1.244 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -17.728 -3.180 0.488 1.00 0.00 O ATOM 0 H ASP A 81 -15.774 -3.625 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.092 -2.909 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.742 -1.579 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.388 -1.275 -1.633 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.509 -0.947 -3.807 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.968 0.218 -4.485 1.00 0.00 C ATOM 1298 C TYR A 82 -14.679 -0.088 -5.956 1.00 0.00 C ATOM 1299 O TYR A 82 -14.035 0.703 -6.643 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.651 0.544 -3.776 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.755 1.689 -2.766 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.841 2.993 -3.208 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.763 1.416 -1.413 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.939 4.070 -2.257 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.860 2.494 -0.462 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.943 3.768 -0.932 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.035 4.785 -0.034 1.00 0.00 O ATOM 0 H TYR A 82 -14.810 -1.555 -3.380 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.677 1.045 -4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.296 -0.349 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.901 0.800 -4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.835 3.206 -4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.697 0.395 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.008 5.095 -2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.867 2.295 0.600 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.454 5.523 -0.315 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.169 -1.238 -6.395 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.972 -1.658 -7.772 1.00 0.00 C ATOM 1319 C GLY A 83 -13.529 -2.111 -8.005 1.00 0.00 C ATOM 1320 O GLY A 83 -13.013 -2.003 -9.117 1.00 0.00 O ATOM 0 H GLY A 83 -15.702 -1.892 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.656 -2.473 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.212 -0.835 -8.445 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.919 -2.608 -6.940 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.546 -3.078 -7.015 1.00 0.00 C ATOM 1326 C ILE A 84 -11.534 -4.608 -7.017 1.00 0.00 C ATOM 1327 O ILE A 84 -11.888 -5.236 -6.020 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.706 -2.458 -5.897 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -11.017 -0.968 -5.739 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.215 -2.711 -6.127 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.457 -0.428 -4.421 1.00 0.00 C ATOM 0 H ILE A 84 -13.350 -2.696 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.083 -2.754 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.974 -2.944 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.590 -0.413 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -12.095 -0.812 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.640 -2.260 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.027 -3.784 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.913 -2.269 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.692 0.633 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.904 -0.969 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.376 -0.563 -4.403 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.124 -5.163 -8.148 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.062 -6.608 -8.292 1.00 0.00 C ATOM 1345 C ARG A 85 -9.605 -7.076 -8.317 1.00 0.00 C ATOM 1346 O ARG A 85 -8.690 -6.279 -8.118 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.758 -7.063 -9.576 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.247 -6.710 -9.548 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.504 -5.366 -10.232 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.887 -5.322 -10.757 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.351 -4.367 -11.574 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.545 -3.370 -11.965 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.621 -4.408 -12.001 1.00 0.00 N ATOM 0 H ARG A 85 -10.832 -4.639 -8.973 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.575 -7.049 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.285 -6.591 -10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.638 -8.140 -9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.819 -7.492 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.596 -6.670 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.349 -4.552 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.793 -5.220 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.527 -6.066 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.578 -3.338 -11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.898 -2.643 -12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.235 -5.167 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.974 -3.681 -12.623 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.437 -8.367 -8.561 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.107 -8.952 -8.614 1.00 0.00 C ATOM 1369 C ASN A 86 -7.326 -8.328 -9.772 1.00 0.00 C ATOM 1370 O ASN A 86 -7.919 -7.834 -10.730 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.178 -10.461 -8.851 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.819 -11.013 -9.286 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.782 -10.685 -8.734 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.882 -11.866 -10.304 1.00 0.00 N ATOM 0 H ASN A 86 -10.199 -9.025 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.616 -8.760 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.502 -10.961 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.924 -10.678 -9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.028 -12.289 -10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.784 -12.097 -10.720 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.008 -8.370 -9.646 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.140 -7.815 -10.670 1.00 0.00 C ATOM 1383 C ARG A 87 -5.610 -6.413 -11.062 1.00 0.00 C ATOM 1384 O ARG A 87 -5.889 -6.152 -12.231 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.118 -8.705 -11.915 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.969 -9.713 -11.848 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.750 -10.386 -13.205 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.311 -10.666 -13.404 1.00 0.00 N ATOM 1389 CZ ARG A 87 -1.822 -11.404 -14.410 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.654 -11.940 -15.314 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -0.501 -11.607 -14.513 1.00 0.00 N ATOM 0 H ARG A 87 -5.520 -8.780 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.133 -7.762 -10.257 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.066 -9.235 -12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.013 -8.087 -12.807 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.055 -9.208 -11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.187 -10.469 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.320 -11.314 -13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.117 -9.741 -14.004 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.650 -10.273 -12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.659 -11.786 -15.236 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.282 -12.502 -16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.133 -11.200 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.130 -12.169 -15.279 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.684 -5.547 -10.062 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.116 -4.178 -10.287 1.00 0.00 C ATOM 1407 C ASP A 88 -4.948 -3.228 -10.016 1.00 0.00 C ATOM 1408 O ASP A 88 -3.962 -3.614 -9.389 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.261 -3.800 -9.345 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.664 -3.978 -9.929 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.960 -5.114 -10.360 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.409 -2.974 -9.932 1.00 0.00 O ATOM 0 H ASP A 88 -5.452 -5.767 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.456 -4.097 -11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.181 -4.403 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.137 -2.759 -9.047 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.096 -2.005 -10.503 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.066 -0.997 -10.321 1.00 0.00 C ATOM 1419 C GLU A 89 -4.595 0.156 -9.466 1.00 0.00 C ATOM 1420 O GLU A 89 -5.733 0.591 -9.640 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.552 -0.488 -11.669 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.777 0.820 -11.503 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.323 1.365 -12.859 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -1.464 0.701 -13.478 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -2.845 2.433 -13.245 1.00 0.00 O ATOM 0 H GLU A 89 -5.914 -1.689 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.226 -1.455 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.908 -1.241 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.391 -0.334 -12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.404 1.557 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.909 0.654 -10.865 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.746 0.617 -8.560 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.114 1.711 -7.677 1.00 0.00 C ATOM 1434 C VAL A 90 -2.931 2.670 -7.539 1.00 0.00 C ATOM 1435 O VAL A 90 -1.777 2.259 -7.652 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.596 1.159 -6.333 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.336 2.159 -5.205 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -6.076 0.777 -6.397 1.00 0.00 C ATOM 0 H VAL A 90 -2.804 0.253 -8.418 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.944 2.278 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.026 0.255 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.688 1.742 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.267 2.361 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.868 3.088 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.393 0.388 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.669 1.657 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.222 0.013 -7.161 1.00 0.00 H new ATOM 1448 N SER A 91 -3.257 3.931 -7.297 1.00 0.00 N ATOM 1449 CA SER A 91 -2.235 4.952 -7.142 1.00 0.00 C ATOM 1450 C SER A 91 -2.435 5.697 -5.821 1.00 0.00 C ATOM 1451 O SER A 91 -3.485 5.580 -5.190 1.00 0.00 O ATOM 1452 CB SER A 91 -2.257 5.936 -8.314 1.00 0.00 C ATOM 1453 OG SER A 91 -3.490 5.889 -9.027 1.00 0.00 O ATOM 0 H SER A 91 -4.215 4.269 -7.204 1.00 0.00 H new ATOM 0 HA SER A 91 -1.261 4.462 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.092 6.947 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.436 5.708 -8.994 1.00 0.00 H new ATOM 0 HG SER A 91 -3.465 6.532 -9.766 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.411 6.447 -5.440 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.461 7.211 -4.205 1.00 0.00 C ATOM 1461 C PHE A 92 -1.788 8.680 -4.482 1.00 0.00 C ATOM 1462 O PHE A 92 -1.303 9.255 -5.456 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.074 7.121 -3.567 1.00 0.00 C ATOM 1464 CG PHE A 92 -0.015 6.219 -2.332 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.849 6.447 -1.282 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.871 5.188 -2.285 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.793 5.610 -0.137 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.926 4.351 -1.139 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.093 4.580 -0.089 1.00 0.00 C ATOM 0 H PHE A 92 -0.542 6.542 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.236 6.811 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.633 6.750 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.252 8.123 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.554 7.265 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.533 5.006 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.455 5.792 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.630 3.532 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.135 3.944 0.783 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.607 9.246 -3.608 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.004 10.637 -3.746 1.00 0.00 C ATOM 1481 C ILE A 93 -2.453 11.439 -2.565 1.00 0.00 C ATOM 1482 O ILE A 93 -2.117 10.872 -1.527 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.521 10.748 -3.911 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.916 12.128 -4.440 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.241 10.407 -2.605 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.988 12.014 -5.525 1.00 0.00 C ATOM 0 H ILE A 93 -3.007 8.766 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.577 11.067 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.838 10.016 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.288 12.743 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.038 12.632 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.318 10.494 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.996 9.387 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.923 11.097 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.250 13.009 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.605 11.419 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.874 11.532 -5.112 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.379 12.747 -2.764 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.875 13.633 -1.728 1.00 0.00 C ATOM 1500 C LYS A 94 -3.043 14.399 -1.105 1.00 0.00 C ATOM 1501 O LYS A 94 -3.911 14.902 -1.817 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.774 14.538 -2.286 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.404 15.633 -1.284 1.00 0.00 C ATOM 1504 CD LYS A 94 0.790 16.451 -1.781 1.00 0.00 C ATOM 1505 CE LYS A 94 1.724 16.817 -0.625 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.594 17.953 -1.002 1.00 0.00 N ATOM 0 H LYS A 94 -2.659 13.214 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.408 13.057 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.108 13.942 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.109 14.992 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.259 16.290 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.165 15.183 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.339 15.881 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.435 17.359 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.137 17.077 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.336 15.956 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.221 18.189 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.167 17.692 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.006 18.778 -1.235 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.028 14.464 0.218 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.076 15.160 0.945 1.00 0.00 C ATOM 1522 C LYS A 95 -4.205 16.586 0.406 1.00 0.00 C ATOM 1523 O LYS A 95 -3.242 17.145 -0.117 1.00 0.00 O ATOM 1524 CB LYS A 95 -3.818 15.094 2.452 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.388 13.806 3.050 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.429 14.115 4.127 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.849 13.943 3.584 1.00 0.00 C ATOM 1528 NZ LYS A 95 -7.638 15.177 3.796 1.00 0.00 N ATOM 0 H LYS A 95 -2.307 14.046 0.806 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.037 14.671 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.746 15.145 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.270 15.957 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.842 13.205 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.581 13.212 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.280 13.455 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.294 15.135 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.812 13.706 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.335 13.103 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.599 15.043 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.689 15.386 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.181 15.970 3.302 1.00 0.00 H new