USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 MET CE :methyl 171:sc= -0.861 (180deg=0) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.865 USER MOD Set 2.1: A 58 SER OG : rot -102:sc= 0.197 USER MOD Set 2.2: A 62 GLN : amide:sc= 0.868 K(o=1.1,f=0.0073) USER MOD Set 3.1: A 24 SER OG : rot -72:sc= 0.0849 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.0888 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 23 HIS : no HE2:sc= -1.01 X(o=-1,f=-1.4) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -3.35 K(o=-3.3,f=-7!) USER MOD Single : A 28 ASN : amide:sc= -0.654 K(o=-0.65,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 33:sc= 0.901 USER MOD Single : A 38 MET CE :methyl -177:sc= -0.467 (180deg=-0.471) USER MOD Single : A 41 TYR OH : rot -120:sc= 0.15 USER MOD Single : A 43 SER OG : rot -127:sc= 1.56 USER MOD Single : A 44 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.125 K(o=-0.13,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 GLN : amide:sc= -2.03 K(o=-2,f=-9.3!) USER MOD Single : A 53 MET CE :methyl -131:sc= -1.77 (180deg=-4.79!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HE2:sc=-0.000717 F(o=-2.2,f=-0.00072) USER MOD Single : A 63 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-2.3) USER MOD Single : A 65 THR OG1 : rot 37:sc= 0.345 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 111:sc= 0.398 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ -152:sc= -2.21 (180deg=-4.87!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -137:sc= -1.84 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -18:sc= -4.05! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -25:sc= 1.15 USER MOD Single : A 124 HIS : no HD1:sc= 0.106 K(o=0.11,f=-1.3) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 170:sc= -2 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -167:sc= -0.0115 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.452 -4.431 7.863 1.00 0.00 N ATOM 107 CA PRO A 9 3.222 -4.717 7.051 1.00 0.00 C ATOM 108 C PRO A 9 2.501 -5.978 7.519 1.00 0.00 C ATOM 109 O PRO A 9 3.123 -6.905 8.047 1.00 0.00 O ATOM 110 CB PRO A 9 3.760 -4.893 5.629 1.00 0.00 C ATOM 111 CG PRO A 9 5.159 -5.374 5.808 1.00 0.00 C ATOM 112 CD PRO A 9 5.687 -4.681 7.060 1.00 0.00 C ATOM 0 HA PRO A 9 2.482 -3.921 7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.164 -5.611 5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.732 -3.954 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.187 -6.458 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.770 -5.128 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.396 -5.310 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.204 -3.752 6.818 1.00 0.00 H new ATOM 120 N THR A 10 1.184 -5.997 7.316 1.00 0.00 N ATOM 121 CA THR A 10 0.347 -7.130 7.704 1.00 0.00 C ATOM 122 C THR A 10 -0.408 -7.658 6.481 1.00 0.00 C ATOM 123 O THR A 10 -0.972 -6.874 5.706 1.00 0.00 O ATOM 124 CB THR A 10 -0.643 -6.689 8.804 1.00 0.00 C ATOM 125 OG1 THR A 10 0.088 -6.181 9.914 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.493 -7.882 9.269 1.00 0.00 C ATOM 0 H THR A 10 0.670 -5.231 6.880 1.00 0.00 H new ATOM 0 HA THR A 10 0.974 -7.930 8.097 1.00 0.00 H new ATOM 0 HB THR A 10 -1.300 -5.919 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.536 -5.898 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.186 -7.555 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.055 -8.279 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.842 -8.659 9.669 1.00 0.00 H new ATOM 134 N THR A 11 -0.396 -8.990 6.301 1.00 0.00 N ATOM 135 CA THR A 11 -1.070 -9.613 5.157 1.00 0.00 C ATOM 136 C THR A 11 -2.432 -10.177 5.541 1.00 0.00 C ATOM 137 O THR A 11 -2.603 -10.740 6.626 1.00 0.00 O ATOM 138 CB THR A 11 -0.200 -10.722 4.547 1.00 0.00 C ATOM 139 OG1 THR A 11 0.308 -11.553 5.581 1.00 0.00 O ATOM 140 CG2 THR A 11 0.959 -10.120 3.738 1.00 0.00 C ATOM 0 H THR A 11 0.069 -9.647 6.928 1.00 0.00 H new ATOM 0 HA THR A 11 -1.225 -8.831 4.413 1.00 0.00 H new ATOM 0 HB THR A 11 -0.815 -11.318 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.861 -12.261 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.563 -10.923 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.559 -9.503 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.579 -9.506 4.392 1.00 0.00 H new ATOM 148 N VAL A 12 -3.398 -10.025 4.625 1.00 0.00 N ATOM 149 CA VAL A 12 -4.760 -10.520 4.836 1.00 0.00 C ATOM 150 C VAL A 12 -5.230 -11.325 3.610 1.00 0.00 C ATOM 151 O VAL A 12 -5.126 -10.856 2.474 1.00 0.00 O ATOM 152 CB VAL A 12 -5.727 -9.335 5.115 1.00 0.00 C ATOM 153 CG1 VAL A 12 -7.160 -9.845 5.347 1.00 0.00 C ATOM 154 CG2 VAL A 12 -5.263 -8.572 6.362 1.00 0.00 C ATOM 0 H VAL A 12 -3.258 -9.561 3.728 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.763 -11.179 5.704 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.719 -8.675 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.820 -9.000 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.504 -10.379 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.172 -10.518 6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.943 -7.742 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.259 -9.245 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.257 -8.186 6.199 1.00 0.00 H new ATOM 164 N ALA A 13 -5.758 -12.527 3.856 1.00 0.00 N ATOM 165 CA ALA A 13 -6.262 -13.384 2.780 1.00 0.00 C ATOM 166 C ALA A 13 -7.787 -13.446 2.812 1.00 0.00 C ATOM 167 O ALA A 13 -8.388 -13.458 3.892 1.00 0.00 O ATOM 168 CB ALA A 13 -5.680 -14.793 2.907 1.00 0.00 C ATOM 0 H ALA A 13 -5.847 -12.928 4.790 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.950 -12.956 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.063 -15.419 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.593 -14.745 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.969 -15.221 3.867 1.00 0.00 H new ATOM 174 N PHE A 14 -8.412 -13.489 1.621 1.00 0.00 N ATOM 175 CA PHE A 14 -9.875 -13.554 1.529 1.00 0.00 C ATOM 176 C PHE A 14 -10.320 -14.386 0.326 1.00 0.00 C ATOM 177 O PHE A 14 -9.533 -14.635 -0.593 1.00 0.00 O ATOM 178 CB PHE A 14 -10.490 -12.133 1.480 1.00 0.00 C ATOM 179 CG PHE A 14 -10.075 -11.399 0.214 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.874 -11.484 -0.933 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.903 -10.635 0.194 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.502 -10.805 -2.098 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.530 -9.956 -0.975 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.330 -10.042 -2.119 1.00 0.00 C ATOM 0 H PHE A 14 -7.931 -13.480 0.722 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.242 -14.050 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.577 -12.202 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.171 -11.565 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.778 -12.074 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.286 -10.568 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.120 -10.870 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.625 -9.367 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.043 -9.519 -3.019 1.00 0.00 H new ATOM 194 N ASP A 15 -11.577 -14.841 0.364 1.00 0.00 N ATOM 195 CA ASP A 15 -12.121 -15.680 -0.698 1.00 0.00 C ATOM 196 C ASP A 15 -12.986 -14.872 -1.657 1.00 0.00 C ATOM 197 O ASP A 15 -13.954 -14.231 -1.233 1.00 0.00 O ATOM 198 CB ASP A 15 -12.967 -16.804 -0.090 1.00 0.00 C ATOM 199 CG ASP A 15 -12.123 -17.638 0.867 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.021 -17.996 0.494 1.00 0.00 O ATOM 201 OD2 ASP A 15 -12.593 -17.905 1.962 1.00 0.00 O ATOM 0 H ASP A 15 -12.232 -14.640 1.119 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.282 -16.098 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.820 -16.381 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.366 -17.438 -0.882 1.00 0.00 H new ATOM 206 N VAL A 16 -12.682 -14.971 -2.963 1.00 0.00 N ATOM 207 CA VAL A 16 -13.499 -14.311 -3.982 1.00 0.00 C ATOM 208 C VAL A 16 -14.518 -15.316 -4.506 1.00 0.00 C ATOM 209 O VAL A 16 -14.161 -16.266 -5.202 1.00 0.00 O ATOM 210 CB VAL A 16 -12.601 -13.777 -5.132 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.455 -13.115 -6.228 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.634 -12.732 -4.572 1.00 0.00 C ATOM 0 H VAL A 16 -11.887 -15.495 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.020 -13.457 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.055 -14.616 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.806 -12.748 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.152 -13.846 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.012 -12.281 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.001 -12.354 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.200 -11.908 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.010 -13.188 -3.803 1.00 0.00 H new ATOM 222 N ARG A 17 -15.783 -15.113 -4.131 1.00 0.00 N ATOM 223 CA ARG A 17 -16.864 -16.024 -4.514 1.00 0.00 C ATOM 224 C ARG A 17 -17.812 -15.367 -5.553 1.00 0.00 C ATOM 225 O ARG A 17 -18.517 -14.412 -5.215 1.00 0.00 O ATOM 226 CB ARG A 17 -17.659 -16.446 -3.267 1.00 0.00 C ATOM 227 CG ARG A 17 -16.734 -17.213 -2.305 1.00 0.00 C ATOM 228 CD ARG A 17 -17.458 -17.480 -0.979 1.00 0.00 C ATOM 229 NE ARG A 17 -18.661 -18.311 -1.198 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.619 -19.665 -1.305 1.00 0.00 C ATOM 231 NH1 ARG A 17 -17.480 -20.326 -1.214 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.726 -20.326 -1.504 1.00 0.00 N ATOM 0 H ARG A 17 -16.085 -14.323 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.418 -16.906 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.070 -15.567 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.503 -17.073 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.427 -18.156 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.827 -16.637 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.784 -17.983 -0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.742 -16.534 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.566 -17.846 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.608 -19.820 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.472 -21.343 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.612 -19.826 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.705 -21.343 -1.586 1.00 0.00 H new ATOM 246 N PRO A 18 -17.848 -15.855 -6.822 1.00 0.00 N ATOM 247 CA PRO A 18 -18.736 -15.272 -7.879 1.00 0.00 C ATOM 248 C PRO A 18 -20.198 -15.680 -7.696 1.00 0.00 C ATOM 249 O PRO A 18 -20.520 -16.509 -6.839 1.00 0.00 O ATOM 250 CB PRO A 18 -18.179 -15.852 -9.168 1.00 0.00 C ATOM 251 CG PRO A 18 -17.650 -17.185 -8.776 1.00 0.00 C ATOM 252 CD PRO A 18 -17.059 -17.001 -7.381 1.00 0.00 C ATOM 0 HA PRO A 18 -18.739 -14.182 -7.854 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.953 -15.940 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.394 -15.219 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.442 -17.934 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.892 -17.528 -9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.170 -17.900 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.994 -16.774 -7.422 1.00 0.00 H new ATOM 260 N GLY A 19 -21.073 -15.086 -8.511 1.00 0.00 N ATOM 261 CA GLY A 19 -22.514 -15.376 -8.455 1.00 0.00 C ATOM 262 C GLY A 19 -23.375 -14.108 -8.614 1.00 0.00 C ATOM 263 O GLY A 19 -24.585 -14.145 -8.369 1.00 0.00 O ATOM 0 H GLY A 19 -20.812 -14.400 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.770 -16.086 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.749 -15.855 -7.504 1.00 0.00 H new ATOM 267 N GLY A 20 -22.746 -12.992 -9.026 1.00 0.00 N ATOM 268 CA GLY A 20 -23.462 -11.726 -9.214 1.00 0.00 C ATOM 269 C GLY A 20 -23.892 -11.115 -7.875 1.00 0.00 C ATOM 270 O GLY A 20 -24.875 -10.372 -7.813 1.00 0.00 O ATOM 0 H GLY A 20 -21.748 -12.945 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.823 -11.022 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.341 -11.894 -9.837 1.00 0.00 H new ATOM 274 N VAL A 21 -23.146 -11.437 -6.807 1.00 0.00 N ATOM 275 CA VAL A 21 -23.445 -10.925 -5.470 1.00 0.00 C ATOM 276 C VAL A 21 -22.369 -9.931 -5.054 1.00 0.00 C ATOM 277 O VAL A 21 -21.171 -10.232 -5.120 1.00 0.00 O ATOM 278 CB VAL A 21 -23.529 -12.092 -4.448 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.864 -11.559 -3.042 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.616 -13.090 -4.878 1.00 0.00 C ATOM 0 H VAL A 21 -22.332 -12.050 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.411 -10.420 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.560 -12.590 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.918 -12.392 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.087 -10.865 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.824 -11.043 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.668 -13.905 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.579 -12.582 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.372 -13.492 -5.862 1.00 0.00 H new ATOM 290 N VAL A 22 -22.809 -8.747 -4.631 1.00 0.00 N ATOM 291 CA VAL A 22 -21.889 -7.699 -4.205 1.00 0.00 C ATOM 292 C VAL A 22 -21.307 -8.065 -2.845 1.00 0.00 C ATOM 293 O VAL A 22 -22.042 -8.235 -1.867 1.00 0.00 O ATOM 294 CB VAL A 22 -22.626 -6.331 -4.140 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.666 -5.217 -3.683 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.177 -5.975 -5.530 1.00 0.00 C ATOM 0 H VAL A 22 -23.795 -8.492 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 22 -21.077 -7.610 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.442 -6.414 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.202 -4.268 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.277 -5.455 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.838 -5.138 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.693 -5.016 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.354 -5.909 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.875 -6.747 -5.853 1.00 0.00 H new ATOM 306 N HIS A 23 -19.982 -8.192 -2.802 1.00 0.00 N ATOM 307 CA HIS A 23 -19.278 -8.549 -1.569 1.00 0.00 C ATOM 308 C HIS A 23 -18.369 -7.424 -1.127 1.00 0.00 C ATOM 309 O HIS A 23 -17.682 -6.808 -1.948 1.00 0.00 O ATOM 310 CB HIS A 23 -18.446 -9.824 -1.763 1.00 0.00 C ATOM 311 CG HIS A 23 -19.344 -10.981 -2.118 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.232 -11.535 -1.209 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.496 -11.698 -3.277 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.875 -12.540 -1.834 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.463 -12.681 -3.097 1.00 0.00 N ATOM 0 H HIS A 23 -19.372 -8.053 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.030 -8.727 -0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.710 -9.670 -2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.894 -10.049 -0.851 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.373 -11.236 -0.244 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.948 -11.525 -4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.631 -13.156 -1.371 1.00 0.00 H new ATOM 323 N SER A 24 -18.361 -7.170 0.178 1.00 0.00 N ATOM 324 CA SER A 24 -17.525 -6.123 0.756 1.00 0.00 C ATOM 325 C SER A 24 -16.508 -6.715 1.721 1.00 0.00 C ATOM 326 O SER A 24 -16.869 -7.430 2.661 1.00 0.00 O ATOM 327 CB SER A 24 -18.393 -5.100 1.489 1.00 0.00 C ATOM 328 OG SER A 24 -19.276 -4.483 0.560 1.00 0.00 O ATOM 0 H SER A 24 -18.927 -7.678 0.858 1.00 0.00 H new ATOM 0 HA SER A 24 -16.991 -5.628 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.962 -5.589 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.765 -4.348 1.966 1.00 0.00 H new ATOM 0 HG SER A 24 -18.769 -3.878 -0.021 1.00 0.00 H new ATOM 334 N PHE A 25 -15.239 -6.378 1.501 1.00 0.00 N ATOM 335 CA PHE A 25 -14.148 -6.832 2.365 1.00 0.00 C ATOM 336 C PHE A 25 -13.329 -5.640 2.821 1.00 0.00 C ATOM 337 O PHE A 25 -13.168 -4.678 2.069 1.00 0.00 O ATOM 338 CB PHE A 25 -13.247 -7.828 1.623 1.00 0.00 C ATOM 339 CG PHE A 25 -14.037 -9.065 1.255 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.630 -9.170 -0.009 1.00 0.00 C ATOM 341 CD2 PHE A 25 -14.172 -10.108 2.180 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.358 -10.317 -0.347 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.901 -11.254 1.841 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.493 -11.359 0.578 1.00 0.00 C ATOM 0 H PHE A 25 -14.938 -5.787 0.726 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.577 -7.334 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.842 -7.364 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.399 -8.101 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.526 -8.366 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.714 -10.028 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.816 -10.398 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.006 -12.057 2.555 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.054 -12.244 0.317 1.00 0.00 H new ATOM 354 N SER A 26 -12.835 -5.690 4.062 1.00 0.00 N ATOM 355 CA SER A 26 -12.057 -4.580 4.609 1.00 0.00 C ATOM 356 C SER A 26 -11.103 -5.043 5.696 1.00 0.00 C ATOM 357 O SER A 26 -11.259 -6.133 6.255 1.00 0.00 O ATOM 358 CB SER A 26 -12.992 -3.511 5.165 1.00 0.00 C ATOM 359 OG SER A 26 -13.685 -4.032 6.292 1.00 0.00 O ATOM 0 H SER A 26 -12.959 -6.478 4.698 1.00 0.00 H new ATOM 0 HA SER A 26 -11.462 -4.162 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.423 -2.627 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.702 -3.199 4.399 1.00 0.00 H new ATOM 0 HG SER A 26 -14.285 -3.346 6.652 1.00 0.00 H new ATOM 365 N HIS A 27 -10.120 -4.191 5.999 1.00 0.00 N ATOM 366 CA HIS A 27 -9.133 -4.481 7.031 1.00 0.00 C ATOM 367 C HIS A 27 -8.845 -3.226 7.855 1.00 0.00 C ATOM 368 O HIS A 27 -8.608 -2.143 7.299 1.00 0.00 O ATOM 369 CB HIS A 27 -7.838 -5.010 6.394 1.00 0.00 C ATOM 370 CG HIS A 27 -6.901 -5.500 7.471 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.624 -4.985 7.633 1.00 0.00 N ATOM 372 CD2 HIS A 27 -7.047 -6.453 8.448 1.00 0.00 C ATOM 373 CE1 HIS A 27 -5.058 -5.626 8.674 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.885 -6.531 9.205 1.00 0.00 N ATOM 0 H HIS A 27 -9.990 -3.290 5.538 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.534 -5.248 7.693 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.067 -5.821 5.702 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.359 -4.221 5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.932 -7.052 8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.059 -5.432 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.702 -7.147 9.997 1.00 0.00 H new ATOM 382 N ASN A 28 -8.885 -3.383 9.181 1.00 0.00 N ATOM 383 CA ASN A 28 -8.644 -2.278 10.104 1.00 0.00 C ATOM 384 C ASN A 28 -7.235 -2.347 10.684 1.00 0.00 C ATOM 385 O ASN A 28 -6.568 -3.383 10.605 1.00 0.00 O ATOM 386 CB ASN A 28 -9.672 -2.307 11.239 1.00 0.00 C ATOM 387 CG ASN A 28 -9.764 -0.936 11.907 1.00 0.00 C ATOM 388 OD1 ASN A 28 -9.665 0.094 11.237 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.949 -0.861 13.197 1.00 0.00 N ATOM 0 H ASN A 28 -9.084 -4.273 9.639 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.743 -1.345 9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.648 -2.594 10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.390 -3.060 11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.012 0.050 13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.031 -1.714 13.751 1.00 0.00 H new ATOM 396 N VAL A 29 -6.797 -1.235 11.276 1.00 0.00 N ATOM 397 CA VAL A 29 -5.468 -1.144 11.893 1.00 0.00 C ATOM 398 C VAL A 29 -5.622 -0.785 13.381 1.00 0.00 C ATOM 399 O VAL A 29 -6.363 0.137 13.727 1.00 0.00 O ATOM 400 CB VAL A 29 -4.608 -0.080 11.150 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.210 0.033 11.793 1.00 0.00 C ATOM 402 CG2 VAL A 29 -4.457 -0.482 9.671 1.00 0.00 C ATOM 0 H VAL A 29 -7.346 -0.378 11.343 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.959 -2.105 11.815 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.109 0.885 11.224 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.624 0.781 11.260 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.313 0.329 12.837 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.705 -0.931 11.737 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.855 0.263 9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.967 -1.454 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.442 -0.540 9.207 1.00 0.00 H new ATOM 412 N GLY A 30 -4.960 -1.562 14.254 1.00 0.00 N ATOM 413 CA GLY A 30 -5.075 -1.360 15.705 1.00 0.00 C ATOM 414 C GLY A 30 -4.836 0.119 16.092 1.00 0.00 C ATOM 415 O GLY A 30 -5.776 0.793 16.526 1.00 0.00 O ATOM 0 H GLY A 30 -4.345 -2.329 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.065 -1.669 16.039 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.353 -1.993 16.220 1.00 0.00 H new ATOM 419 N PRO A 31 -3.611 0.659 15.912 1.00 0.00 N ATOM 420 CA PRO A 31 -3.322 2.103 16.225 1.00 0.00 C ATOM 421 C PRO A 31 -4.286 3.042 15.494 1.00 0.00 C ATOM 422 O PRO A 31 -4.764 4.025 16.068 1.00 0.00 O ATOM 423 CB PRO A 31 -1.893 2.294 15.709 1.00 0.00 C ATOM 424 CG PRO A 31 -1.279 0.941 15.796 1.00 0.00 C ATOM 425 CD PRO A 31 -2.386 -0.033 15.418 1.00 0.00 C ATOM 0 HA PRO A 31 -3.438 2.332 17.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.888 2.667 14.685 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.346 3.017 16.314 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.429 0.851 15.119 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.908 0.742 16.801 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.424 -0.206 14.342 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.250 -1.005 15.892 1.00 0.00 H new ATOM 433 N GLY A 32 -4.581 2.712 14.231 1.00 0.00 N ATOM 434 CA GLY A 32 -5.509 3.502 13.416 1.00 0.00 C ATOM 435 C GLY A 32 -6.933 2.972 13.552 1.00 0.00 C ATOM 436 O GLY A 32 -7.391 2.183 12.718 1.00 0.00 O ATOM 0 H GLY A 32 -4.189 1.902 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.474 4.547 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.202 3.469 12.371 1.00 0.00 H new ATOM 440 N ASP A 33 -7.624 3.400 14.613 1.00 0.00 N ATOM 441 CA ASP A 33 -8.994 2.948 14.875 1.00 0.00 C ATOM 442 C ASP A 33 -9.933 3.325 13.730 1.00 0.00 C ATOM 443 O ASP A 33 -10.856 2.571 13.403 1.00 0.00 O ATOM 444 CB ASP A 33 -9.508 3.557 16.181 1.00 0.00 C ATOM 445 CG ASP A 33 -10.873 2.973 16.529 1.00 0.00 C ATOM 446 OD1 ASP A 33 -10.937 1.783 16.787 1.00 0.00 O ATOM 447 OD2 ASP A 33 -11.834 3.724 16.530 1.00 0.00 O ATOM 0 H ASP A 33 -7.259 4.057 15.303 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.976 1.861 14.960 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.802 3.357 16.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.581 4.640 16.082 1.00 0.00 H new ATOM 452 N LYS A 34 -9.702 4.500 13.138 1.00 0.00 N ATOM 453 CA LYS A 34 -10.545 4.992 12.034 1.00 0.00 C ATOM 454 C LYS A 34 -9.959 4.657 10.656 1.00 0.00 C ATOM 455 O LYS A 34 -10.670 4.719 9.647 1.00 0.00 O ATOM 456 CB LYS A 34 -10.723 6.502 12.149 1.00 0.00 C ATOM 457 CG LYS A 34 -11.478 6.833 13.441 1.00 0.00 C ATOM 458 CD LYS A 34 -11.791 8.335 13.494 1.00 0.00 C ATOM 459 CE LYS A 34 -10.511 9.138 13.777 1.00 0.00 C ATOM 460 NZ LYS A 34 -10.853 10.583 13.899 1.00 0.00 N ATOM 0 H LYS A 34 -8.943 5.129 13.400 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.508 4.488 12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.750 6.994 12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.273 6.880 11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.403 6.258 13.489 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.879 6.547 14.306 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.228 8.656 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.531 8.532 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.042 8.785 14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.790 8.990 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.989 11.129 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.282 10.914 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.527 10.716 14.680 1.00 0.00 H new ATOM 474 N TYR A 35 -8.661 4.340 10.616 1.00 0.00 N ATOM 475 CA TYR A 35 -7.974 4.045 9.349 1.00 0.00 C ATOM 476 C TYR A 35 -8.238 2.610 8.900 1.00 0.00 C ATOM 477 O TYR A 35 -7.893 1.657 9.605 1.00 0.00 O ATOM 478 CB TYR A 35 -6.463 4.265 9.504 1.00 0.00 C ATOM 479 CG TYR A 35 -6.188 5.722 9.810 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.072 6.145 11.140 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.058 6.646 8.768 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.824 7.492 11.428 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.810 7.993 9.056 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.693 8.417 10.385 1.00 0.00 C ATOM 485 OH TYR A 35 -5.451 9.746 10.668 1.00 0.00 O ATOM 0 H TYR A 35 -8.065 4.281 11.441 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.365 4.722 8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.074 3.636 10.305 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.947 3.972 8.589 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.174 5.431 11.944 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.149 6.320 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.734 7.818 12.454 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.709 8.706 8.252 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.386 10.252 9.831 1.00 0.00 H new ATOM 495 N THR A 36 -8.851 2.468 7.715 1.00 0.00 N ATOM 496 CA THR A 36 -9.162 1.149 7.157 1.00 0.00 C ATOM 497 C THR A 36 -9.348 1.211 5.635 1.00 0.00 C ATOM 498 O THR A 36 -9.633 2.276 5.079 1.00 0.00 O ATOM 499 CB THR A 36 -10.423 0.566 7.830 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.686 -0.727 7.304 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.636 1.480 7.590 1.00 0.00 C ATOM 0 H THR A 36 -9.140 3.251 7.128 1.00 0.00 H new ATOM 0 HA THR A 36 -8.316 0.493 7.361 1.00 0.00 H new ATOM 0 HB THR A 36 -10.248 0.497 8.904 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.839 -1.171 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.515 1.052 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.437 2.467 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.817 1.570 6.519 1.00 0.00 H new ATOM 509 N CYS A 37 -9.234 0.047 4.980 1.00 0.00 N ATOM 510 CA CYS A 37 -9.443 -0.052 3.526 1.00 0.00 C ATOM 511 C CYS A 37 -10.658 -0.932 3.233 1.00 0.00 C ATOM 512 O CYS A 37 -10.884 -1.933 3.914 1.00 0.00 O ATOM 513 CB CYS A 37 -8.196 -0.635 2.823 1.00 0.00 C ATOM 514 SG CYS A 37 -6.772 0.466 3.062 1.00 0.00 S ATOM 0 H CYS A 37 -8.999 -0.837 5.431 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.617 0.952 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.972 -1.624 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.394 -0.760 1.758 1.00 0.00 H new ATOM 519 N MET A 38 -11.439 -0.544 2.219 1.00 0.00 N ATOM 520 CA MET A 38 -12.643 -1.289 1.830 1.00 0.00 C ATOM 521 C MET A 38 -12.602 -1.643 0.368 1.00 0.00 C ATOM 522 O MET A 38 -12.071 -0.885 -0.452 1.00 0.00 O ATOM 523 CB MET A 38 -13.905 -0.480 2.108 1.00 0.00 C ATOM 524 CG MET A 38 -14.028 -0.234 3.605 1.00 0.00 C ATOM 525 SD MET A 38 -15.492 0.775 3.942 1.00 0.00 S ATOM 526 CE MET A 38 -15.268 0.907 5.734 1.00 0.00 C ATOM 0 H MET A 38 -11.259 0.284 1.651 1.00 0.00 H new ATOM 0 HA MET A 38 -12.665 -2.201 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.867 0.470 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.781 -1.016 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.100 -1.184 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.135 0.270 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.105 1.456 6.166 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.225 -0.091 6.170 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.339 1.436 5.947 1.00 0.00 H new ATOM 536 N PHE A 39 -13.141 -2.812 0.048 1.00 0.00 N ATOM 537 CA PHE A 39 -13.150 -3.299 -1.328 1.00 0.00 C ATOM 538 C PHE A 39 -14.480 -3.961 -1.653 1.00 0.00 C ATOM 539 O PHE A 39 -14.810 -5.018 -1.106 1.00 0.00 O ATOM 540 CB PHE A 39 -11.987 -4.281 -1.538 1.00 0.00 C ATOM 541 CG PHE A 39 -10.680 -3.572 -1.230 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.173 -3.589 0.078 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.995 -2.891 -2.237 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.979 -2.922 0.375 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.799 -2.228 -1.940 1.00 0.00 C ATOM 546 CZ PHE A 39 -8.292 -2.243 -0.635 1.00 0.00 C ATOM 0 H PHE A 39 -13.578 -3.442 0.721 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.023 -2.454 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.106 -5.150 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.984 -4.647 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.704 -4.117 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.387 -2.876 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.589 -2.932 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.266 -1.704 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.369 -1.729 -0.409 1.00 0.00 H new ATOM 556 N THR A 40 -15.234 -3.332 -2.552 1.00 0.00 N ATOM 557 CA THR A 40 -16.541 -3.849 -2.972 1.00 0.00 C ATOM 558 C THR A 40 -16.501 -4.208 -4.460 1.00 0.00 C ATOM 559 O THR A 40 -16.105 -3.388 -5.286 1.00 0.00 O ATOM 560 CB THR A 40 -17.630 -2.785 -2.704 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.629 -2.457 -1.320 1.00 0.00 O ATOM 562 CG2 THR A 40 -19.017 -3.327 -3.087 1.00 0.00 C ATOM 0 H THR A 40 -14.964 -2.460 -3.007 1.00 0.00 H new ATOM 0 HA THR A 40 -16.778 -4.747 -2.402 1.00 0.00 H new ATOM 0 HB THR A 40 -17.415 -1.901 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.317 -1.781 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.772 -2.565 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 40 -19.027 -3.585 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.237 -4.215 -2.495 1.00 0.00 H new ATOM 570 N TYR A 41 -16.896 -5.448 -4.787 1.00 0.00 N ATOM 571 CA TYR A 41 -16.876 -5.918 -6.182 1.00 0.00 C ATOM 572 C TYR A 41 -17.898 -7.037 -6.432 1.00 0.00 C ATOM 573 O TYR A 41 -18.353 -7.701 -5.496 1.00 0.00 O ATOM 574 CB TYR A 41 -15.457 -6.396 -6.570 1.00 0.00 C ATOM 575 CG TYR A 41 -15.020 -7.535 -5.664 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.355 -8.854 -5.987 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.286 -7.263 -4.503 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.959 -9.902 -5.149 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.888 -8.311 -3.666 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.225 -9.631 -3.989 1.00 0.00 C ATOM 581 OH TYR A 41 -13.834 -10.666 -3.162 1.00 0.00 O ATOM 0 H TYR A 41 -17.230 -6.137 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.157 -5.073 -6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.448 -6.724 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.752 -5.568 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.920 -9.064 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.027 -6.245 -4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.220 -10.920 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.321 -8.102 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.222 -10.538 -2.271 1.00 0.00 H new ATOM 591 N ALA A 42 -18.214 -7.254 -7.714 1.00 0.00 N ATOM 592 CA ALA A 42 -19.139 -8.312 -8.128 1.00 0.00 C ATOM 593 C ALA A 42 -18.490 -9.172 -9.210 1.00 0.00 C ATOM 594 O ALA A 42 -17.841 -8.645 -10.125 1.00 0.00 O ATOM 595 CB ALA A 42 -20.440 -7.705 -8.657 1.00 0.00 C ATOM 0 H ALA A 42 -17.838 -6.705 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.370 -8.934 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.117 -8.504 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.909 -7.110 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.222 -7.068 -9.515 1.00 0.00 H new ATOM 601 N SER A 43 -18.639 -10.498 -9.083 1.00 0.00 N ATOM 602 CA SER A 43 -18.030 -11.434 -10.029 1.00 0.00 C ATOM 603 C SER A 43 -19.028 -12.483 -10.492 1.00 0.00 C ATOM 604 O SER A 43 -19.975 -12.819 -9.774 1.00 0.00 O ATOM 605 CB SER A 43 -16.835 -12.123 -9.385 1.00 0.00 C ATOM 606 OG SER A 43 -15.896 -11.143 -8.962 1.00 0.00 O ATOM 0 H SER A 43 -19.174 -10.942 -8.337 1.00 0.00 H new ATOM 0 HA SER A 43 -17.703 -10.863 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.161 -12.721 -8.534 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.369 -12.806 -10.095 1.00 0.00 H new ATOM 0 HG SER A 43 -15.013 -11.357 -9.329 1.00 0.00 H new ATOM 612 N GLN A 44 -18.782 -13.018 -11.686 1.00 0.00 N ATOM 613 CA GLN A 44 -19.620 -14.062 -12.264 1.00 0.00 C ATOM 614 C GLN A 44 -18.761 -15.265 -12.651 1.00 0.00 C ATOM 615 O GLN A 44 -17.724 -15.116 -13.305 1.00 0.00 O ATOM 616 CB GLN A 44 -20.366 -13.528 -13.499 1.00 0.00 C ATOM 617 CG GLN A 44 -21.409 -14.557 -13.975 1.00 0.00 C ATOM 618 CD GLN A 44 -22.485 -14.769 -12.905 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.133 -13.813 -12.478 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.706 -15.970 -12.443 1.00 0.00 N ATOM 0 H GLN A 44 -17.999 -12.740 -12.277 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.354 -14.373 -11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.858 -12.586 -13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.657 -13.321 -14.300 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.871 -14.213 -14.900 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.918 -15.504 -14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.168 -16.760 -12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.417 -16.118 -11.727 1.00 0.00 H new ATOM 629 N GLY A 45 -19.185 -16.444 -12.209 1.00 0.00 N ATOM 630 CA GLY A 45 -18.459 -17.682 -12.458 1.00 0.00 C ATOM 631 C GLY A 45 -18.987 -18.783 -11.554 1.00 0.00 C ATOM 632 O GLY A 45 -19.993 -18.590 -10.860 1.00 0.00 O ATOM 0 H GLY A 45 -20.041 -16.567 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.568 -17.974 -13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.394 -17.532 -12.279 1.00 0.00 H new ATOM 636 N GLY A 46 -18.318 -19.942 -11.568 1.00 0.00 N ATOM 637 CA GLY A 46 -18.746 -21.081 -10.744 1.00 0.00 C ATOM 638 C GLY A 46 -17.682 -21.527 -9.727 1.00 0.00 C ATOM 639 O GLY A 46 -17.938 -22.438 -8.931 1.00 0.00 O ATOM 0 H GLY A 46 -17.487 -20.116 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.659 -20.813 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.991 -21.920 -11.395 1.00 0.00 H new ATOM 643 N THR A 47 -16.486 -20.904 -9.764 1.00 0.00 N ATOM 644 CA THR A 47 -15.404 -21.284 -8.843 1.00 0.00 C ATOM 645 C THR A 47 -14.806 -20.062 -8.144 1.00 0.00 C ATOM 646 O THR A 47 -14.409 -19.092 -8.797 1.00 0.00 O ATOM 647 CB THR A 47 -14.309 -22.058 -9.611 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.898 -23.183 -10.247 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.218 -22.549 -8.643 1.00 0.00 C ATOM 0 H THR A 47 -16.251 -20.150 -10.410 1.00 0.00 H new ATOM 0 HA THR A 47 -15.825 -21.928 -8.072 1.00 0.00 H new ATOM 0 HB THR A 47 -13.858 -21.394 -10.349 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.210 -23.679 -10.738 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.455 -23.092 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.763 -21.694 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.663 -23.210 -7.899 1.00 0.00 H new ATOM 657 N ASN A 48 -14.698 -20.152 -6.813 1.00 0.00 N ATOM 658 CA ASN A 48 -14.093 -19.095 -6.015 1.00 0.00 C ATOM 659 C ASN A 48 -12.580 -19.281 -5.956 1.00 0.00 C ATOM 660 O ASN A 48 -12.046 -20.242 -6.523 1.00 0.00 O ATOM 661 CB ASN A 48 -14.689 -19.089 -4.593 1.00 0.00 C ATOM 662 CG ASN A 48 -14.317 -20.373 -3.827 1.00 0.00 C ATOM 663 OD1 ASN A 48 -13.911 -21.374 -4.428 1.00 0.00 O ATOM 664 ND2 ASN A 48 -14.436 -20.399 -2.527 1.00 0.00 N ATOM 0 H ASN A 48 -15.025 -20.951 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.309 -18.135 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.325 -18.219 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.774 -18.998 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.194 -21.244 -2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.771 -19.574 -2.029 1.00 0.00 H new ATOM 671 N GLU A 49 -11.891 -18.355 -5.278 1.00 0.00 N ATOM 672 CA GLU A 49 -10.440 -18.418 -5.159 1.00 0.00 C ATOM 673 C GLU A 49 -9.949 -17.629 -3.954 1.00 0.00 C ATOM 674 O GLU A 49 -10.735 -16.972 -3.275 1.00 0.00 O ATOM 675 CB GLU A 49 -9.764 -17.931 -6.441 1.00 0.00 C ATOM 676 CG GLU A 49 -10.105 -16.471 -6.704 1.00 0.00 C ATOM 677 CD GLU A 49 -9.653 -16.080 -8.107 1.00 0.00 C ATOM 678 OE1 GLU A 49 -10.269 -16.536 -9.054 1.00 0.00 O ATOM 679 OE2 GLU A 49 -8.693 -15.335 -8.215 1.00 0.00 O ATOM 0 H GLU A 49 -12.319 -17.558 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.166 -19.462 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.684 -18.048 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.086 -18.543 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.179 -16.315 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.618 -15.835 -5.965 1.00 0.00 H new ATOM 686 N GLN A 50 -8.648 -17.725 -3.685 1.00 0.00 N ATOM 687 CA GLN A 50 -8.041 -17.046 -2.543 1.00 0.00 C ATOM 688 C GLN A 50 -7.079 -15.958 -2.999 1.00 0.00 C ATOM 689 O GLN A 50 -6.193 -16.199 -3.823 1.00 0.00 O ATOM 690 CB GLN A 50 -7.300 -18.062 -1.671 1.00 0.00 C ATOM 691 CG GLN A 50 -8.307 -19.055 -1.093 1.00 0.00 C ATOM 692 CD GLN A 50 -7.591 -20.104 -0.251 1.00 0.00 C ATOM 693 OE1 GLN A 50 -6.674 -19.777 0.501 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.959 -21.354 -0.331 1.00 0.00 N ATOM 0 H GLN A 50 -7.992 -18.269 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.835 -16.577 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.550 -18.588 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.771 -17.552 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.040 -18.527 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.855 -19.539 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.720 -21.623 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.486 -22.062 0.231 1.00 0.00 H new ATOM 703 N TRP A 51 -7.258 -14.764 -2.439 1.00 0.00 N ATOM 704 CA TRP A 51 -6.410 -13.614 -2.753 1.00 0.00 C ATOM 705 C TRP A 51 -5.621 -13.180 -1.530 1.00 0.00 C ATOM 706 O TRP A 51 -6.143 -13.201 -0.417 1.00 0.00 O ATOM 707 CB TRP A 51 -7.261 -12.437 -3.217 1.00 0.00 C ATOM 708 CG TRP A 51 -7.796 -12.671 -4.593 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.659 -13.653 -4.947 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.526 -11.904 -5.803 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.935 -13.526 -6.299 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.257 -12.467 -6.868 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.719 -10.781 -6.072 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.198 -11.938 -8.161 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.654 -10.245 -7.372 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.391 -10.824 -8.415 1.00 0.00 C ATOM 0 H TRP A 51 -7.991 -14.566 -1.758 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.725 -13.915 -3.546 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -8.088 -12.285 -2.523 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.664 -11.525 -3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -9.063 -14.407 -4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.565 -14.142 -6.813 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.147 -10.328 -5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.772 -12.387 -8.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.033 -9.383 -7.567 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.336 -10.411 -9.411 1.00 0.00 H new ATOM 727 N GLN A 52 -4.383 -12.725 -1.755 1.00 0.00 N ATOM 728 CA GLN A 52 -3.546 -12.209 -0.663 1.00 0.00 C ATOM 729 C GLN A 52 -3.559 -10.694 -0.670 1.00 0.00 C ATOM 730 O GLN A 52 -3.638 -10.067 -1.736 1.00 0.00 O ATOM 731 CB GLN A 52 -2.096 -12.709 -0.772 1.00 0.00 C ATOM 732 CG GLN A 52 -2.051 -14.225 -0.547 1.00 0.00 C ATOM 733 CD GLN A 52 -2.601 -14.963 -1.762 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.255 -14.637 -2.898 1.00 0.00 O ATOM 735 NE2 GLN A 52 -3.442 -15.945 -1.589 1.00 0.00 N ATOM 0 H GLN A 52 -3.941 -12.703 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.963 -12.579 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.691 -12.466 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.471 -12.204 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.025 -14.540 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.633 -14.485 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.727 -16.213 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.815 -16.445 -2.396 1.00 0.00 H new ATOM 744 N MET A 53 -3.491 -10.111 0.522 1.00 0.00 N ATOM 745 CA MET A 53 -3.501 -8.661 0.673 1.00 0.00 C ATOM 746 C MET A 53 -2.276 -8.231 1.438 1.00 0.00 C ATOM 747 O MET A 53 -1.769 -8.984 2.264 1.00 0.00 O ATOM 748 CB MET A 53 -4.744 -8.203 1.450 1.00 0.00 C ATOM 749 CG MET A 53 -6.019 -8.645 0.725 1.00 0.00 C ATOM 750 SD MET A 53 -7.473 -8.099 1.664 1.00 0.00 S ATOM 751 CE MET A 53 -7.386 -6.329 1.267 1.00 0.00 C ATOM 0 H MET A 53 -3.428 -10.624 1.402 1.00 0.00 H new ATOM 0 HA MET A 53 -3.512 -8.212 -0.320 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.726 -8.622 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.735 -7.118 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.043 -8.223 -0.280 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.030 -9.729 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.472 -5.746 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.433 -6.110 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.201 -6.067 0.592 1.00 0.00 H new ATOM 761 N SER A 54 -1.817 -7.016 1.175 1.00 0.00 N ATOM 762 CA SER A 54 -0.670 -6.459 1.882 1.00 0.00 C ATOM 763 C SER A 54 -0.884 -4.985 2.155 1.00 0.00 C ATOM 764 O SER A 54 -1.092 -4.200 1.226 1.00 0.00 O ATOM 765 CB SER A 54 0.610 -6.660 1.079 1.00 0.00 C ATOM 766 OG SER A 54 1.703 -6.084 1.785 1.00 0.00 O ATOM 0 H SER A 54 -2.222 -6.394 0.475 1.00 0.00 H new ATOM 0 HA SER A 54 -0.569 -6.984 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.787 -7.723 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.513 -6.198 0.096 1.00 0.00 H new ATOM 0 HG SER A 54 2.528 -6.213 1.272 1.00 0.00 H new ATOM 772 N LEU A 55 -0.807 -4.608 3.433 1.00 0.00 N ATOM 773 CA LEU A 55 -0.970 -3.212 3.829 1.00 0.00 C ATOM 774 C LEU A 55 0.133 -2.798 4.782 1.00 0.00 C ATOM 775 O LEU A 55 0.600 -3.605 5.595 1.00 0.00 O ATOM 776 CB LEU A 55 -2.353 -2.975 4.477 1.00 0.00 C ATOM 777 CG LEU A 55 -2.542 -3.892 5.731 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.410 -3.178 6.776 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.231 -5.207 5.326 1.00 0.00 C ATOM 0 H LEU A 55 -0.633 -5.249 4.207 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.906 -2.599 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.449 -1.929 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.140 -3.178 3.750 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.560 -4.108 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.537 -3.823 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.925 -2.250 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.386 -2.953 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.358 -5.838 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.207 -4.988 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.617 -5.728 4.592 1.00 0.00 H new ATOM 791 N GLY A 56 0.552 -1.539 4.672 1.00 0.00 N ATOM 792 CA GLY A 56 1.610 -1.006 5.514 1.00 0.00 C ATOM 793 C GLY A 56 1.334 0.438 5.871 1.00 0.00 C ATOM 794 O GLY A 56 0.617 1.143 5.149 1.00 0.00 O ATOM 0 H GLY A 56 0.170 -0.870 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.692 -1.601 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.566 -1.081 4.996 1.00 0.00 H new ATOM 798 N THR A 57 1.906 0.872 6.990 1.00 0.00 N ATOM 799 CA THR A 57 1.734 2.239 7.463 1.00 0.00 C ATOM 800 C THR A 57 3.081 2.852 7.799 1.00 0.00 C ATOM 801 O THR A 57 4.036 2.137 8.124 1.00 0.00 O ATOM 802 CB THR A 57 0.833 2.267 8.714 1.00 0.00 C ATOM 803 OG1 THR A 57 1.451 1.523 9.755 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.543 1.659 8.398 1.00 0.00 C ATOM 0 H THR A 57 2.495 0.292 7.588 1.00 0.00 H new ATOM 0 HA THR A 57 1.262 2.818 6.669 1.00 0.00 H new ATOM 0 HB THR A 57 0.696 3.302 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.881 1.540 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.167 1.686 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.021 2.233 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.418 0.626 8.074 1.00 0.00 H new ATOM 812 N SER A 58 3.137 4.179 7.760 1.00 0.00 N ATOM 813 CA SER A 58 4.352 4.911 8.104 1.00 0.00 C ATOM 814 C SER A 58 4.658 4.739 9.587 1.00 0.00 C ATOM 815 O SER A 58 3.748 4.494 10.382 1.00 0.00 O ATOM 816 CB SER A 58 4.192 6.391 7.769 1.00 0.00 C ATOM 817 OG SER A 58 5.365 7.090 8.168 1.00 0.00 O ATOM 0 H SER A 58 2.352 4.772 7.492 1.00 0.00 H new ATOM 0 HA SER A 58 5.181 4.511 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.025 6.518 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.320 6.799 8.279 1.00 0.00 H new ATOM 0 HG SER A 58 5.197 7.555 9.014 1.00 0.00 H new ATOM 823 N GLU A 59 5.944 4.831 9.952 1.00 0.00 N ATOM 824 CA GLU A 59 6.353 4.661 11.355 1.00 0.00 C ATOM 825 C GLU A 59 5.601 5.642 12.279 1.00 0.00 C ATOM 826 O GLU A 59 5.359 5.339 13.450 1.00 0.00 O ATOM 827 CB GLU A 59 7.878 4.848 11.494 1.00 0.00 C ATOM 828 CG GLU A 59 8.285 6.279 11.066 1.00 0.00 C ATOM 829 CD GLU A 59 9.816 6.489 11.160 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.527 5.550 11.512 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.251 7.594 10.877 1.00 0.00 O ATOM 0 H GLU A 59 6.711 5.020 9.306 1.00 0.00 H new ATOM 0 HA GLU A 59 6.094 3.648 11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.181 4.670 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.399 4.115 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.954 6.461 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.778 7.007 11.699 1.00 0.00 H new ATOM 838 N ASP A 60 5.203 6.796 11.721 1.00 0.00 N ATOM 839 CA ASP A 60 4.435 7.803 12.470 1.00 0.00 C ATOM 840 C ASP A 60 2.945 7.830 12.044 1.00 0.00 C ATOM 841 O ASP A 60 2.194 8.718 12.452 1.00 0.00 O ATOM 842 CB ASP A 60 5.065 9.194 12.304 1.00 0.00 C ATOM 843 CG ASP A 60 5.103 9.599 10.834 1.00 0.00 C ATOM 844 OD1 ASP A 60 5.492 8.781 10.022 1.00 0.00 O ATOM 845 OD2 ASP A 60 4.746 10.728 10.546 1.00 0.00 O ATOM 0 H ASP A 60 5.400 7.055 10.754 1.00 0.00 H new ATOM 0 HA ASP A 60 4.469 7.521 13.522 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.494 9.927 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.076 9.191 12.711 1.00 0.00 H new ATOM 850 N HIS A 61 2.527 6.826 11.252 1.00 0.00 N ATOM 851 CA HIS A 61 1.134 6.696 10.796 1.00 0.00 C ATOM 852 C HIS A 61 0.686 7.910 9.960 1.00 0.00 C ATOM 853 O HIS A 61 -0.508 8.231 9.904 1.00 0.00 O ATOM 854 CB HIS A 61 0.194 6.508 12.014 1.00 0.00 C ATOM 855 CG HIS A 61 0.579 5.262 12.816 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.476 4.233 12.580 1.00 0.00 N flip ATOM 857 CD2 HIS A 61 0.015 4.984 14.052 1.00 0.00 C flip ATOM 858 CE1 HIS A 61 1.460 3.344 13.645 1.00 0.00 C flip ATOM 859 NE2 HIS A 61 0.566 3.840 14.504 1.00 0.00 N flip ATOM 0 H HIS A 61 3.142 6.087 10.913 1.00 0.00 H new ATOM 0 HA HIS A 61 1.077 5.818 10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.244 7.388 12.656 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.837 6.421 11.672 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.060 4.143 11.749 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.731 5.577 14.560 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.045 2.443 13.756 1.00 0.00 H new ATOM 867 N GLN A 62 1.647 8.551 9.282 1.00 0.00 N ATOM 868 CA GLN A 62 1.355 9.699 8.413 1.00 0.00 C ATOM 869 C GLN A 62 0.763 9.260 7.064 1.00 0.00 C ATOM 870 O GLN A 62 -0.029 9.992 6.462 1.00 0.00 O ATOM 871 CB GLN A 62 2.611 10.562 8.199 1.00 0.00 C ATOM 872 CG GLN A 62 3.728 9.723 7.578 1.00 0.00 C ATOM 873 CD GLN A 62 4.938 10.597 7.274 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.831 11.563 6.518 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.089 10.317 7.821 1.00 0.00 N ATOM 0 H GLN A 62 2.633 8.294 9.318 1.00 0.00 H new ATOM 0 HA GLN A 62 0.603 10.303 8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.376 11.405 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.943 10.976 9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.012 8.921 8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.372 9.252 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.175 9.516 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.903 10.899 7.623 1.00 0.00 H new ATOM 884 N HIS A 63 1.138 8.051 6.607 1.00 0.00 N ATOM 885 CA HIS A 63 0.624 7.508 5.341 1.00 0.00 C ATOM 886 C HIS A 63 0.101 6.081 5.519 1.00 0.00 C ATOM 887 O HIS A 63 0.673 5.288 6.271 1.00 0.00 O ATOM 888 CB HIS A 63 1.706 7.520 4.247 1.00 0.00 C ATOM 889 CG HIS A 63 2.137 8.930 3.940 1.00 0.00 C ATOM 890 ND1 HIS A 63 1.296 9.836 3.316 1.00 0.00 N ATOM 891 CD2 HIS A 63 3.326 9.591 4.125 1.00 0.00 C ATOM 892 CE1 HIS A 63 1.985 10.979 3.148 1.00 0.00 C ATOM 893 NE2 HIS A 63 3.227 10.883 3.624 1.00 0.00 N ATOM 0 H HIS A 63 1.791 7.437 7.094 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.200 8.152 5.032 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.566 6.934 4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.322 7.047 3.343 1.00 0.00 H new ATOM 0 HD1 HIS A 63 0.330 9.667 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.205 9.170 4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.581 11.867 2.684 1.00 0.00 H new ATOM 901 N PHE A 64 -0.978 5.761 4.793 1.00 0.00 N ATOM 902 CA PHE A 64 -1.579 4.418 4.831 1.00 0.00 C ATOM 903 C PHE A 64 -1.738 3.871 3.415 1.00 0.00 C ATOM 904 O PHE A 64 -2.162 4.597 2.522 1.00 0.00 O ATOM 905 CB PHE A 64 -2.958 4.468 5.511 1.00 0.00 C ATOM 906 CG PHE A 64 -2.821 4.931 6.945 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.923 6.292 7.257 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.600 3.996 7.960 1.00 0.00 C ATOM 909 CE1 PHE A 64 -2.802 6.716 8.586 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.479 4.419 9.288 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.580 5.779 9.602 1.00 0.00 C ATOM 0 H PHE A 64 -1.455 6.414 4.171 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.919 3.764 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.616 5.144 4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.421 3.481 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.095 7.015 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.523 2.946 7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.880 7.766 8.827 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.308 3.696 10.071 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.487 6.105 10.627 1.00 0.00 H new ATOM 921 N THR A 65 -1.404 2.582 3.216 1.00 0.00 N ATOM 922 CA THR A 65 -1.532 1.958 1.884 1.00 0.00 C ATOM 923 C THR A 65 -2.067 0.522 1.960 1.00 0.00 C ATOM 924 O THR A 65 -1.674 -0.254 2.838 1.00 0.00 O ATOM 925 CB THR A 65 -0.181 1.981 1.144 1.00 0.00 C ATOM 926 OG1 THR A 65 -0.338 1.400 -0.143 1.00 0.00 O ATOM 927 CG2 THR A 65 0.879 1.201 1.937 1.00 0.00 C ATOM 0 H THR A 65 -1.050 1.962 3.944 1.00 0.00 H new ATOM 0 HA THR A 65 -2.260 2.548 1.326 1.00 0.00 H new ATOM 0 HB THR A 65 0.149 3.015 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.212 1.649 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.827 1.227 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.006 1.655 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.557 0.166 2.054 1.00 0.00 H new ATOM 935 N CYS A 66 -2.918 0.165 0.982 1.00 0.00 N ATOM 936 CA CYS A 66 -3.466 -1.190 0.877 1.00 0.00 C ATOM 937 C CYS A 66 -3.273 -1.738 -0.546 1.00 0.00 C ATOM 938 O CYS A 66 -3.546 -1.039 -1.527 1.00 0.00 O ATOM 939 CB CYS A 66 -4.958 -1.203 1.251 1.00 0.00 C ATOM 940 SG CYS A 66 -5.156 -0.761 3.005 1.00 0.00 S ATOM 0 H CYS A 66 -3.239 0.802 0.253 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.928 -1.830 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.506 -0.499 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.381 -2.190 1.065 1.00 0.00 H new ATOM 945 N THR A 67 -2.780 -2.982 -0.647 1.00 0.00 N ATOM 946 CA THR A 67 -2.520 -3.615 -1.952 1.00 0.00 C ATOM 947 C THR A 67 -3.163 -5.011 -2.020 1.00 0.00 C ATOM 948 O THR A 67 -3.038 -5.804 -1.083 1.00 0.00 O ATOM 949 CB THR A 67 -1.002 -3.721 -2.179 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.422 -2.429 -2.064 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.704 -4.279 -3.580 1.00 0.00 C ATOM 0 H THR A 67 -2.554 -3.569 0.156 1.00 0.00 H new ATOM 0 HA THR A 67 -2.962 -2.998 -2.734 1.00 0.00 H new ATOM 0 HB THR A 67 -0.581 -4.394 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.546 -2.491 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.374 -4.347 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.146 -5.270 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.129 -3.616 -4.334 1.00 0.00 H new ATOM 959 N ILE A 68 -3.855 -5.292 -3.134 1.00 0.00 N ATOM 960 CA ILE A 68 -4.525 -6.593 -3.321 1.00 0.00 C ATOM 961 C ILE A 68 -4.096 -7.248 -4.646 1.00 0.00 C ATOM 962 O ILE A 68 -4.246 -6.649 -5.713 1.00 0.00 O ATOM 963 CB ILE A 68 -6.067 -6.411 -3.325 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.513 -5.738 -2.012 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.757 -7.798 -3.442 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.975 -5.294 -2.124 1.00 0.00 C ATOM 0 H ILE A 68 -3.967 -4.644 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.232 -7.238 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.350 -5.787 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.397 -6.432 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.878 -4.878 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.839 -7.667 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.448 -8.281 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.469 -8.420 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.283 -4.819 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.078 -4.584 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.605 -6.163 -2.315 1.00 0.00 H new ATOM 978 N TRP A 69 -3.674 -8.520 -4.569 1.00 0.00 N ATOM 979 CA TRP A 69 -3.352 -9.296 -5.777 1.00 0.00 C ATOM 980 C TRP A 69 -3.615 -10.794 -5.541 1.00 0.00 C ATOM 981 O TRP A 69 -3.700 -11.245 -4.388 1.00 0.00 O ATOM 982 CB TRP A 69 -1.886 -9.053 -6.244 1.00 0.00 C ATOM 983 CG TRP A 69 -0.904 -9.682 -5.297 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.335 -10.898 -5.471 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.394 -9.166 -4.050 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.502 -11.153 -4.404 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.500 -10.114 -3.499 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.613 -7.976 -3.349 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.149 -9.891 -2.295 1.00 0.00 C ATOM 990 CZ3 TRP A 69 0.041 -7.744 -2.130 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.923 -8.704 -1.606 1.00 0.00 C ATOM 0 H TRP A 69 -3.549 -9.028 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.007 -8.952 -6.578 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.747 -9.465 -7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.696 -7.982 -6.311 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.508 -11.559 -6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.053 -12.005 -4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.288 -7.233 -3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.825 -10.633 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.134 -6.824 -1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.426 -8.520 -0.668 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.725 -11.548 -6.633 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.959 -12.988 -6.549 1.00 0.00 C ATOM 1004 C ARG A 70 -2.612 -13.777 -6.559 1.00 0.00 C ATOM 1005 O ARG A 70 -1.610 -13.277 -7.075 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.882 -13.447 -7.695 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.192 -13.222 -9.030 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.164 -13.460 -10.170 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.546 -13.029 -11.432 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.522 -11.727 -11.838 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.088 -10.775 -11.121 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -3.913 -11.411 -12.948 1.00 0.00 N ATOM 0 H ARG A 70 -3.656 -11.187 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.456 -13.202 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.129 -14.502 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.821 -12.894 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.804 -12.205 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.339 -13.894 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.429 -14.516 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.088 -12.908 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.116 -13.734 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.555 -11.006 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.058 -9.808 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.460 -12.135 -13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.890 -10.440 -13.259 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.571 -14.988 -5.978 1.00 0.00 N ATOM 1027 CA PRO A 71 -1.310 -15.821 -5.912 1.00 0.00 C ATOM 1028 C PRO A 71 -0.920 -16.457 -7.253 1.00 0.00 C ATOM 1029 O PRO A 71 0.268 -16.621 -7.550 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.689 -16.914 -4.923 1.00 0.00 C ATOM 1031 CG PRO A 71 -3.156 -17.084 -5.122 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.704 -15.697 -5.329 1.00 0.00 C ATOM 0 HA PRO A 71 -0.448 -15.215 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.149 -17.839 -5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.456 -16.624 -3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.363 -17.719 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.616 -17.561 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.592 -15.703 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.987 -15.229 -4.386 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.930 -16.876 -8.014 1.00 0.00 N ATOM 1041 CA GLN A 72 -1.713 -17.577 -9.285 1.00 0.00 C ATOM 1042 C GLN A 72 -1.020 -16.695 -10.314 1.00 0.00 C ATOM 1043 O GLN A 72 -0.196 -17.169 -11.103 1.00 0.00 O ATOM 1044 CB GLN A 72 -3.053 -18.061 -9.841 1.00 0.00 C ATOM 1045 CG GLN A 72 -3.592 -19.200 -8.971 1.00 0.00 C ATOM 1046 CD GLN A 72 -4.920 -19.700 -9.530 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -5.054 -19.889 -10.739 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -5.917 -19.924 -8.718 1.00 0.00 N ATOM 0 H GLN A 72 -2.912 -16.743 -7.773 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.060 -18.427 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.767 -17.238 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.929 -18.403 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.871 -20.017 -8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.727 -18.854 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.804 -19.767 -7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.809 -20.256 -9.085 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.412 -15.437 -10.337 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.899 -14.469 -11.314 1.00 0.00 C ATOM 1059 C GLY A 73 -1.889 -14.302 -12.479 1.00 0.00 C ATOM 1060 O GLY A 73 -1.986 -13.225 -13.070 1.00 0.00 O ATOM 0 H GLY A 73 -2.093 -15.047 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.734 -13.507 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.066 -14.804 -11.694 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.681 -15.360 -12.741 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.735 -15.318 -13.754 1.00 0.00 C ATOM 1066 C LYS A 74 -4.958 -16.094 -13.279 1.00 0.00 C ATOM 1067 O LYS A 74 -4.871 -17.290 -12.990 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.251 -15.866 -15.113 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.561 -17.239 -14.953 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.173 -17.792 -16.336 1.00 0.00 C ATOM 1071 CE LYS A 74 -0.968 -17.020 -16.892 1.00 0.00 C ATOM 1072 NZ LYS A 74 -0.573 -17.596 -18.209 1.00 0.00 N ATOM 0 H LYS A 74 -2.604 -16.255 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.007 -14.272 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.099 -15.960 -15.792 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.556 -15.158 -15.566 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.673 -17.139 -14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.230 -17.936 -14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.931 -18.852 -16.258 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.017 -17.707 -17.021 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.219 -15.965 -17.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.133 -17.076 -16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.243 -17.073 -18.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.317 -18.597 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.369 -17.521 -18.874 1.00 0.00 H new ATOM 1086 N SER A 75 -6.097 -15.401 -13.200 1.00 0.00 N ATOM 1087 CA SER A 75 -7.354 -16.018 -12.762 1.00 0.00 C ATOM 1088 C SER A 75 -8.389 -15.990 -13.879 1.00 0.00 C ATOM 1089 O SER A 75 -8.552 -14.967 -14.553 1.00 0.00 O ATOM 1090 CB SER A 75 -7.901 -15.288 -11.537 1.00 0.00 C ATOM 1091 OG SER A 75 -9.177 -15.819 -11.204 1.00 0.00 O ATOM 0 H SER A 75 -6.176 -14.411 -13.434 1.00 0.00 H new ATOM 0 HA SER A 75 -7.149 -17.056 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.217 -15.401 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.981 -14.220 -11.741 1.00 0.00 H new ATOM 0 HG SER A 75 -9.117 -16.307 -10.356 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.087 -17.122 -14.080 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.105 -17.213 -15.134 1.00 0.00 C ATOM 1099 C TYR A 76 -11.525 -17.110 -14.554 1.00 0.00 C ATOM 1100 O TYR A 76 -12.178 -18.124 -14.270 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.947 -18.527 -15.913 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.615 -18.542 -16.626 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.498 -19.113 -16.007 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -8.499 -17.984 -17.904 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -6.265 -19.127 -16.666 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -7.264 -17.998 -18.563 1.00 0.00 C ATOM 1107 CZ TYR A 76 -6.147 -18.570 -17.944 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.930 -18.586 -18.594 1.00 0.00 O ATOM 0 H TYR A 76 -8.965 -17.974 -13.533 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.958 -16.373 -15.813 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.015 -19.375 -15.231 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.757 -18.633 -16.634 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.588 -19.543 -15.020 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.361 -17.543 -18.382 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.403 -19.568 -16.188 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.173 -17.567 -19.549 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.022 -18.160 -19.472 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.005 -15.873 -14.435 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.361 -15.594 -13.962 1.00 0.00 C ATOM 1120 C LEU A 77 -13.967 -14.431 -14.745 1.00 0.00 C ATOM 1121 O LEU A 77 -13.243 -13.526 -15.174 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.367 -15.288 -12.453 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.159 -16.584 -11.644 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.844 -16.229 -10.189 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.444 -17.428 -11.681 1.00 0.00 C ATOM 0 H LEU A 77 -11.467 -15.037 -14.663 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.969 -16.483 -14.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.579 -14.573 -12.217 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.313 -14.824 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.334 -17.149 -12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.697 -17.144 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.937 -15.626 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.674 -15.664 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.295 -18.343 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.266 -16.859 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.684 -17.681 -12.714 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.298 -14.440 -14.900 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.992 -13.358 -15.599 1.00 0.00 C ATOM 1139 C TYR A 78 -16.458 -12.330 -14.585 1.00 0.00 C ATOM 1140 O TYR A 78 -17.472 -12.525 -13.922 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.192 -13.917 -16.376 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.774 -12.846 -17.274 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.245 -12.642 -18.554 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.842 -12.060 -16.824 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.784 -11.652 -19.386 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.381 -11.070 -17.655 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.852 -10.866 -18.936 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.384 -9.890 -19.755 1.00 0.00 O ATOM 0 H TYR A 78 -15.909 -15.180 -14.553 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.311 -12.886 -16.308 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.881 -14.774 -16.973 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.952 -14.272 -15.680 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.421 -13.248 -18.900 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.250 -12.217 -15.836 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.376 -11.495 -20.374 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.205 -10.464 -17.308 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.119 -9.438 -19.290 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.678 -11.256 -14.439 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.970 -10.218 -13.447 1.00 0.00 C ATOM 1160 C PHE A 79 -16.956 -9.197 -13.982 1.00 0.00 C ATOM 1161 O PHE A 79 -16.782 -8.669 -15.082 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.679 -9.503 -13.039 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.772 -10.463 -12.309 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.786 -11.165 -13.012 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.915 -10.649 -10.930 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.943 -12.054 -12.336 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.072 -11.539 -10.253 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.086 -12.241 -10.957 1.00 0.00 C ATOM 0 H PHE A 79 -14.840 -11.082 -14.994 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.415 -10.708 -12.581 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.174 -9.112 -13.922 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.911 -8.650 -12.401 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.676 -11.020 -14.077 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.675 -10.106 -10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.182 -12.596 -12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.182 -11.684 -9.188 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.436 -12.927 -10.435 1.00 0.00 H new ATOM 1178 N THR A 80 -17.976 -8.895 -13.173 1.00 0.00 N ATOM 1179 CA THR A 80 -18.972 -7.889 -13.538 1.00 0.00 C ATOM 1180 C THR A 80 -18.354 -6.489 -13.423 1.00 0.00 C ATOM 1181 O THR A 80 -18.532 -5.651 -14.301 1.00 0.00 O ATOM 1182 CB THR A 80 -20.205 -8.015 -12.618 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.739 -9.328 -12.731 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.285 -7.001 -13.029 1.00 0.00 C ATOM 0 H THR A 80 -18.132 -9.332 -12.265 1.00 0.00 H new ATOM 0 HA THR A 80 -19.291 -8.048 -14.568 1.00 0.00 H new ATOM 0 HB THR A 80 -19.901 -7.816 -11.590 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.522 -9.414 -12.147 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.148 -7.102 -12.371 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.884 -5.990 -12.949 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.589 -7.191 -14.058 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.598 -6.270 -12.335 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.899 -4.993 -12.086 1.00 0.00 C ATOM 1194 C GLN A 81 -16.248 -5.012 -10.710 1.00 0.00 C ATOM 1195 O GLN A 81 -16.570 -5.874 -9.882 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.853 -3.776 -12.207 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.038 -3.928 -11.245 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.017 -2.774 -11.440 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.644 -1.610 -11.289 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.254 -3.027 -11.772 1.00 0.00 N ATOM 0 H GLN A 81 -17.453 -6.967 -11.605 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.130 -4.885 -12.851 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.311 -2.857 -11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.216 -3.691 -13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.542 -4.878 -11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.682 -3.944 -10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.561 -3.992 -11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.913 -2.260 -11.907 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.340 -4.057 -10.458 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.660 -3.982 -9.154 1.00 0.00 C ATOM 1211 C PHE A 82 -14.560 -2.537 -8.653 1.00 0.00 C ATOM 1212 O PHE A 82 -14.488 -1.600 -9.451 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.260 -4.625 -9.241 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.409 -3.899 -10.272 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.625 -2.807 -9.886 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.411 -4.322 -11.609 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.844 -2.136 -10.833 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.629 -3.650 -12.556 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.846 -2.557 -12.168 1.00 0.00 C ATOM 0 H PHE A 82 -15.062 -3.338 -11.126 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.259 -4.539 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.774 -4.587 -8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.352 -5.677 -9.511 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.623 -2.482 -8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.015 -5.166 -11.908 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.239 -1.293 -10.534 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.630 -3.975 -13.586 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.243 -2.038 -12.899 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.584 -2.372 -7.316 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.531 -1.036 -6.693 1.00 0.00 C ATOM 1231 C LYS A 83 -13.698 -1.085 -5.410 1.00 0.00 C ATOM 1232 O LYS A 83 -13.649 -2.119 -4.733 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.965 -0.527 -6.358 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.898 -0.669 -7.582 1.00 0.00 C ATOM 1235 CD LYS A 83 -16.506 0.331 -8.683 1.00 0.00 C ATOM 1236 CE LYS A 83 -17.137 -0.111 -10.006 1.00 0.00 C ATOM 1237 NZ LYS A 83 -16.854 0.898 -11.064 1.00 0.00 N ATOM 0 H LYS A 83 -14.639 -3.143 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.068 -0.349 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.370 -1.093 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.922 0.517 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.844 -1.686 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.931 -0.498 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.846 1.333 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.421 0.378 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.740 -1.082 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.214 -0.230 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.614 0.879 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.803 1.845 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.947 0.676 -11.522 1.00 0.00 H new ATOM 1251 N ALA A 84 -13.070 0.045 -5.067 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.263 0.145 -3.848 1.00 0.00 C ATOM 1253 C ALA A 84 -12.406 1.527 -3.230 1.00 0.00 C ATOM 1254 O ALA A 84 -12.540 2.518 -3.948 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.792 -0.131 -4.164 1.00 0.00 C ATOM 0 H ALA A 84 -13.106 0.903 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.620 -0.599 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.203 -0.054 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.691 -1.135 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.433 0.598 -4.890 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.379 1.588 -1.892 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.508 2.860 -1.180 1.00 0.00 C ATOM 1263 C GLU A 85 -11.830 2.778 0.188 1.00 0.00 C ATOM 1264 O GLU A 85 -11.542 1.689 0.664 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.999 3.240 -1.044 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.748 2.181 -0.222 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.255 2.380 -0.351 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.823 1.857 -1.295 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.819 3.053 0.495 1.00 0.00 O ATOM 0 H GLU A 85 -12.270 0.775 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.008 3.641 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.090 4.214 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.450 3.329 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.475 1.183 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.454 2.248 0.825 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.569 3.939 0.807 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.914 3.976 2.128 1.00 0.00 C ATOM 1278 C VAL A 86 -11.669 4.876 3.096 1.00 0.00 C ATOM 1279 O VAL A 86 -12.411 5.770 2.676 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.450 4.441 2.008 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.664 3.449 1.150 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.382 5.834 1.360 1.00 0.00 C ATOM 0 H VAL A 86 -11.797 4.856 0.422 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.926 2.960 2.523 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.017 4.490 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.629 3.780 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.693 2.463 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.109 3.395 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.341 6.149 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.825 5.794 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.932 6.548 1.973 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.467 4.635 4.398 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.124 5.429 5.437 1.00 0.00 C ATOM 1294 C ARG A 87 -11.136 5.867 6.505 1.00 0.00 C ATOM 1295 O ARG A 87 -10.164 5.162 6.795 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.268 4.634 6.081 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.342 4.285 5.028 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.132 5.545 4.632 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.808 6.123 5.816 1.00 0.00 N ATOM 1300 CZ ARG A 87 -15.720 7.435 6.178 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -15.014 8.308 5.478 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -16.353 7.842 7.244 1.00 0.00 N ATOM 0 H ARG A 87 -10.856 3.899 4.753 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.532 6.320 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.877 3.720 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.715 5.216 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.869 3.852 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.022 3.532 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.459 6.282 4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.870 5.295 3.870 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.373 5.503 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.515 8.006 4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.968 9.283 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.904 7.182 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.297 8.820 7.528 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.398 7.042 7.086 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.537 7.598 8.135 1.00 0.00 C ATOM 1318 C GLY A 88 -9.292 8.302 7.558 1.00 0.00 C ATOM 1319 O GLY A 88 -8.432 8.753 8.317 1.00 0.00 O ATOM 0 H GLY A 88 -12.199 7.627 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.109 8.308 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.222 6.798 8.805 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.194 8.371 6.217 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.049 8.999 5.556 1.00 0.00 C ATOM 1325 C ALA A 89 -8.421 9.475 4.153 1.00 0.00 C ATOM 1326 O ALA A 89 -9.482 9.122 3.629 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.881 8.014 5.476 1.00 0.00 C ATOM 0 H ALA A 89 -9.895 7.999 5.577 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.750 9.865 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.035 8.492 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.591 7.712 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.184 7.136 4.906 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.529 10.267 3.545 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.746 10.785 2.188 1.00 0.00 C ATOM 1335 C GLU A 90 -6.887 10.012 1.192 1.00 0.00 C ATOM 1336 O GLU A 90 -5.812 9.534 1.542 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.414 12.294 2.119 1.00 0.00 C ATOM 1338 CG GLU A 90 -5.957 12.547 2.561 1.00 0.00 C ATOM 1339 CD GLU A 90 -5.641 14.042 2.526 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -6.043 14.695 1.573 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -5.001 14.512 3.452 1.00 0.00 O ATOM 0 H GLU A 90 -6.651 10.563 3.971 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.797 10.653 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.560 12.659 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.097 12.852 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.804 12.160 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.273 12.009 1.905 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.394 9.852 -0.033 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.686 9.077 -1.064 1.00 0.00 C ATOM 1350 C ILE A 91 -5.722 9.969 -1.849 1.00 0.00 C ATOM 1351 O ILE A 91 -6.135 10.959 -2.464 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.708 8.400 -2.027 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.649 7.481 -1.213 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.956 7.548 -3.079 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.851 7.055 -2.074 1.00 0.00 C ATOM 0 H ILE A 91 -8.285 10.244 -0.337 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.103 8.300 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.288 9.172 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.105 6.600 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.997 8.003 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.676 7.078 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.288 8.188 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.373 6.778 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.506 6.408 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.403 7.940 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.497 6.515 -2.952 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.445 9.573 -1.860 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.420 10.291 -2.614 1.00 0.00 C ATOM 1369 C GLU A 92 -3.431 9.842 -4.072 1.00 0.00 C ATOM 1370 O GLU A 92 -3.302 10.665 -4.985 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.037 10.031 -2.011 1.00 0.00 C ATOM 1372 CG GLU A 92 -1.977 10.584 -0.588 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.597 10.335 0.009 1.00 0.00 C ATOM 1374 OE1 GLU A 92 0.374 10.746 -0.604 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.531 9.738 1.071 1.00 0.00 O ATOM 0 H GLU A 92 -4.099 8.758 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.637 11.358 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.829 8.961 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.269 10.500 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.192 11.653 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.740 10.109 0.028 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.603 8.525 -4.282 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.652 7.960 -5.629 1.00 0.00 C ATOM 1384 C TYR A 93 -4.095 6.498 -5.583 1.00 0.00 C ATOM 1385 O TYR A 93 -3.568 5.706 -4.796 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.274 8.059 -6.288 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.403 7.876 -7.787 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.707 8.976 -8.601 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.218 6.613 -8.362 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.826 8.814 -9.986 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -2.338 6.452 -9.749 1.00 0.00 C ATOM 1392 CZ TYR A 93 -2.641 7.552 -10.560 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.758 7.392 -11.926 1.00 0.00 O ATOM 0 H TYR A 93 -3.709 7.839 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.375 8.528 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.825 9.028 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.609 7.300 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.850 9.951 -8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.983 5.764 -7.737 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.061 9.663 -10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.196 5.478 -10.193 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.598 6.454 -12.160 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.042 6.144 -6.454 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.540 4.770 -6.547 1.00 0.00 C ATOM 1405 C ALA A 94 -5.399 4.257 -7.974 1.00 0.00 C ATOM 1406 O ALA A 94 -5.745 4.959 -8.931 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.008 4.708 -6.117 1.00 0.00 C ATOM 0 H ALA A 94 -5.481 6.793 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.949 4.140 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.366 3.681 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.100 5.051 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.605 5.348 -6.767 1.00 0.00 H new ATOM 1413 N MET A 95 -4.871 3.040 -8.112 1.00 0.00 N ATOM 1414 CA MET A 95 -4.658 2.431 -9.427 1.00 0.00 C ATOM 1415 C MET A 95 -4.527 0.917 -9.320 1.00 0.00 C ATOM 1416 O MET A 95 -4.420 0.376 -8.225 1.00 0.00 O ATOM 1417 CB MET A 95 -3.415 3.035 -10.113 1.00 0.00 C ATOM 1418 CG MET A 95 -2.161 2.797 -9.255 1.00 0.00 C ATOM 1419 SD MET A 95 -0.710 3.470 -10.102 1.00 0.00 S ATOM 1420 CE MET A 95 0.490 3.148 -8.788 1.00 0.00 C ATOM 0 H MET A 95 -4.582 2.455 -7.328 1.00 0.00 H new ATOM 0 HA MET A 95 -5.532 2.650 -10.040 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.281 2.586 -11.097 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.560 4.104 -10.267 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.279 3.272 -8.281 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.028 1.730 -9.076 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.496 3.342 -9.159 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.284 3.800 -7.939 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.414 2.107 -8.473 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.538 0.251 -10.471 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.415 -1.205 -10.534 1.00 0.00 C ATOM 1432 C ALA A 96 -3.542 -1.600 -11.716 1.00 0.00 C ATOM 1433 O ALA A 96 -3.358 -0.805 -12.635 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.799 -1.845 -10.669 1.00 0.00 C ATOM 0 H ALA A 96 -4.632 0.700 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.951 -1.561 -9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.696 -2.929 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.410 -1.575 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.278 -1.487 -11.580 1.00 0.00 H new ATOM 1440 N TYR A 97 -2.972 -2.815 -11.674 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.092 -3.281 -12.764 1.00 0.00 C ATOM 1442 C TYR A 97 -2.647 -4.526 -13.449 1.00 0.00 C ATOM 1443 O TYR A 97 -2.573 -5.629 -12.900 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.700 -3.586 -12.224 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.050 -2.320 -11.725 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.162 -1.957 -10.379 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.670 -1.511 -12.611 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.449 -0.786 -9.918 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.279 -0.339 -12.150 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.170 0.023 -10.805 1.00 0.00 C ATOM 1451 OH TYR A 97 1.774 1.176 -10.351 1.00 0.00 O ATOM 0 H TYR A 97 -3.099 -3.483 -10.914 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.039 -2.479 -13.501 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.766 -4.313 -11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.088 -4.035 -13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.720 -2.580 -9.696 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.756 -1.791 -13.650 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.365 -0.506 -8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.834 0.286 -12.834 1.00 0.00 H new ATOM 0 HH TYR A 97 2.234 1.619 -11.095 1.00 0.00 H new ATOM 1461 N SER A 98 -3.152 -4.348 -14.678 1.00 0.00 N ATOM 1462 CA SER A 98 -3.658 -5.472 -15.475 1.00 0.00 C ATOM 1463 C SER A 98 -2.514 -6.386 -15.896 1.00 0.00 C ATOM 1464 O SER A 98 -2.645 -7.613 -15.885 1.00 0.00 O ATOM 1465 CB SER A 98 -4.372 -4.959 -16.719 1.00 0.00 C ATOM 1466 OG SER A 98 -5.517 -4.219 -16.330 1.00 0.00 O ATOM 0 H SER A 98 -3.220 -3.441 -15.139 1.00 0.00 H new ATOM 0 HA SER A 98 -4.360 -6.035 -14.859 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.701 -4.331 -17.305 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.664 -5.794 -17.356 1.00 0.00 H new ATOM 0 HG SER A 98 -6.273 -4.459 -16.906 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.396 -5.765 -16.283 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.215 -6.493 -16.735 1.00 0.00 C ATOM 1474 C LYS A 99 1.039 -5.941 -16.058 1.00 0.00 C ATOM 1475 O LYS A 99 1.267 -4.726 -16.046 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.086 -6.386 -18.280 1.00 0.00 C ATOM 1477 CG LYS A 99 1.161 -7.155 -18.797 1.00 0.00 C ATOM 1478 CD LYS A 99 0.983 -8.669 -18.596 1.00 0.00 C ATOM 1479 CE LYS A 99 2.196 -9.405 -19.171 1.00 0.00 C ATOM 1480 NZ LYS A 99 2.030 -10.872 -18.974 1.00 0.00 N ATOM 0 H LYS A 99 -1.288 -4.751 -16.291 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.321 -7.543 -16.462 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.984 -6.787 -18.751 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.015 -5.338 -18.569 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.316 -6.939 -19.854 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.051 -6.814 -18.268 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.875 -8.896 -17.535 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.071 -9.008 -19.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.301 -9.180 -20.232 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.108 -9.063 -18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.855 -11.370 -19.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.950 -11.079 -17.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.169 -11.192 -19.461 1.00 0.00 H new ATOM 1494 N ALA A 100 1.854 -6.847 -15.519 1.00 0.00 N ATOM 1495 CA ALA A 100 3.099 -6.469 -14.862 1.00 0.00 C ATOM 1496 C ALA A 100 4.204 -6.282 -15.890 1.00 0.00 C ATOM 1497 O ALA A 100 4.229 -6.967 -16.919 1.00 0.00 O ATOM 1498 CB ALA A 100 3.510 -7.540 -13.851 1.00 0.00 C ATOM 0 H ALA A 100 1.671 -7.850 -15.526 1.00 0.00 H new ATOM 0 HA ALA A 100 2.940 -5.527 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.441 -7.245 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.729 -7.649 -13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.653 -8.490 -14.365 1.00 0.00 H new ATOM 1599 N ASP A 107 4.886 -1.724 -17.463 1.00 0.00 N ATOM 1600 CA ASP A 107 3.646 -2.376 -17.098 1.00 0.00 C ATOM 1601 C ASP A 107 2.441 -1.576 -17.594 1.00 0.00 C ATOM 1602 O ASP A 107 2.568 -0.390 -17.917 1.00 0.00 O ATOM 1603 CB ASP A 107 3.594 -2.519 -15.575 1.00 0.00 C ATOM 1604 CG ASP A 107 3.536 -1.141 -14.867 1.00 0.00 C ATOM 1605 OD1 ASP A 107 3.499 -0.119 -15.547 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.539 -1.138 -13.648 1.00 0.00 O ATOM 0 HA ASP A 107 3.607 -3.360 -17.566 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.721 -3.108 -15.295 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.471 -3.067 -15.232 1.00 0.00 H new ATOM 1611 N VAL A 108 1.269 -2.233 -17.654 1.00 0.00 N ATOM 1612 CA VAL A 108 0.038 -1.567 -18.119 1.00 0.00 C ATOM 1613 C VAL A 108 -0.969 -1.390 -16.935 1.00 0.00 C ATOM 1614 O VAL A 108 -1.587 -2.371 -16.512 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.618 -2.404 -19.256 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -1.888 -1.705 -19.773 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.370 -2.562 -20.423 1.00 0.00 C ATOM 0 H VAL A 108 1.148 -3.211 -17.390 1.00 0.00 H new ATOM 0 HA VAL A 108 0.297 -0.581 -18.504 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.881 -3.383 -18.854 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.335 -2.303 -20.567 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.601 -1.596 -18.956 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.629 -0.720 -20.162 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.094 -3.149 -21.216 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.638 -1.578 -20.809 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.268 -3.071 -20.073 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.173 -0.151 -16.413 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.153 0.103 -15.308 1.00 0.00 C ATOM 1629 C PRO A 109 -3.589 0.297 -15.823 1.00 0.00 C ATOM 1630 O PRO A 109 -3.794 0.788 -16.937 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.630 1.392 -14.688 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.077 2.160 -15.842 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.493 1.123 -16.809 1.00 0.00 C ATOM 0 HA PRO A 109 -2.219 -0.735 -14.614 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.426 1.944 -14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.863 1.191 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.856 2.748 -16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.309 2.859 -15.511 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.700 1.382 -17.847 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.590 1.047 -16.709 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.573 -0.028 -14.970 1.00 0.00 N ATOM 1642 CA LEU A 110 -5.992 0.181 -15.301 1.00 0.00 C ATOM 1643 C LEU A 110 -6.360 1.658 -15.210 1.00 0.00 C ATOM 1644 O LEU A 110 -5.772 2.407 -14.423 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.904 -0.636 -14.368 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.843 -2.129 -14.736 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.484 -2.962 -13.613 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.622 -2.366 -16.047 1.00 0.00 C ATOM 0 H LEU A 110 -4.413 -0.435 -14.049 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.142 -0.159 -16.326 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.595 -0.497 -13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.930 -0.277 -14.445 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.803 -2.427 -14.866 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.441 -4.019 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.942 -2.796 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.524 -2.662 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.580 -3.423 -16.309 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.661 -2.067 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.176 -1.776 -16.847 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.335 2.067 -16.025 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.795 3.446 -16.058 1.00 0.00 C ATOM 1662 C LYS A 111 -8.474 3.825 -14.738 1.00 0.00 C ATOM 1663 O LYS A 111 -9.344 3.103 -14.242 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.759 3.636 -17.244 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.130 5.121 -17.403 1.00 0.00 C ATOM 1666 CD LYS A 111 -9.776 5.367 -18.785 1.00 0.00 C ATOM 1667 CE LYS A 111 -11.175 4.730 -18.853 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.798 5.040 -20.172 1.00 0.00 N ATOM 0 H LYS A 111 -7.822 1.451 -16.675 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.936 4.105 -16.188 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.295 3.271 -18.160 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.661 3.044 -17.086 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.821 5.417 -16.613 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.239 5.739 -17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.849 6.438 -18.972 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.142 4.949 -19.568 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.102 3.651 -18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.800 5.111 -18.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.744 4.610 -20.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.881 6.071 -20.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.205 4.656 -20.935 1.00 0.00 H new ATOM 1682 N THR A 112 -8.075 4.974 -14.193 1.00 0.00 N ATOM 1683 CA THR A 112 -8.638 5.492 -12.940 1.00 0.00 C ATOM 1684 C THR A 112 -10.147 5.745 -13.104 1.00 0.00 C ATOM 1685 O THR A 112 -10.928 5.542 -12.171 1.00 0.00 O ATOM 1686 CB THR A 112 -7.909 6.795 -12.533 1.00 0.00 C ATOM 1687 OG1 THR A 112 -6.522 6.523 -12.386 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.456 7.322 -11.194 1.00 0.00 C ATOM 0 H THR A 112 -7.357 5.571 -14.603 1.00 0.00 H new ATOM 0 HA THR A 112 -8.495 4.753 -12.152 1.00 0.00 H new ATOM 0 HB THR A 112 -8.072 7.547 -13.305 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.053 7.344 -12.130 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.932 8.239 -10.923 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.522 7.528 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.302 6.573 -10.418 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.529 6.217 -14.293 1.00 0.00 N ATOM 1697 CA GLU A 113 -11.930 6.545 -14.604 1.00 0.00 C ATOM 1698 C GLU A 113 -12.852 5.305 -14.610 1.00 0.00 C ATOM 1699 O GLU A 113 -14.060 5.435 -14.824 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.012 7.261 -15.950 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.346 8.639 -15.832 1.00 0.00 C ATOM 1702 CD GLU A 113 -11.375 9.406 -17.176 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -11.712 8.807 -18.196 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -11.061 10.585 -17.161 1.00 0.00 O ATOM 0 H GLU A 113 -9.884 6.383 -15.065 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.285 7.201 -13.809 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.517 6.670 -16.720 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.053 7.372 -16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.856 9.225 -15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.313 8.517 -15.505 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.280 4.114 -14.374 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.061 2.869 -14.341 1.00 0.00 C ATOM 1713 C GLU A 114 -14.096 2.901 -13.198 1.00 0.00 C ATOM 1714 O GLU A 114 -15.146 2.258 -13.284 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.126 1.667 -14.151 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.874 0.359 -14.483 1.00 0.00 C ATOM 1717 CD GLU A 114 -13.761 -0.094 -13.313 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -13.410 0.174 -12.175 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -14.784 -0.705 -13.579 1.00 0.00 O ATOM 0 H GLU A 114 -11.282 3.988 -14.204 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.590 2.774 -15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.253 1.770 -14.795 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.763 1.637 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.488 0.505 -15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.153 -0.424 -14.719 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.778 3.644 -12.125 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.662 3.763 -10.961 1.00 0.00 C ATOM 1728 C PHE A 115 -14.451 5.112 -10.247 1.00 0.00 C ATOM 1729 O PHE A 115 -13.462 5.807 -10.502 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.440 2.581 -9.993 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.023 2.606 -9.437 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.765 3.245 -8.223 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.978 1.997 -10.142 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.462 3.273 -7.709 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.677 2.026 -9.629 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.419 2.663 -8.412 1.00 0.00 C ATOM 0 H PHE A 115 -12.910 4.173 -12.043 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.695 3.729 -11.308 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.159 2.633 -9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.616 1.639 -10.513 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.570 3.718 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.176 1.505 -11.082 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.263 3.766 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.871 1.556 -10.174 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.415 2.684 -8.015 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.406 5.484 -9.384 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.350 6.766 -8.665 1.00 0.00 C ATOM 1748 C GLU A 116 -15.206 6.553 -7.145 1.00 0.00 C ATOM 1749 O GLU A 116 -15.965 5.793 -6.542 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.625 7.581 -8.975 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.600 8.944 -8.240 1.00 0.00 C ATOM 1752 CD GLU A 116 -15.417 9.818 -8.709 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.889 9.569 -9.788 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -15.059 10.724 -7.976 1.00 0.00 O ATOM 0 H GLU A 116 -16.226 4.917 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.472 7.316 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.705 7.744 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.506 7.015 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.537 9.472 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.527 8.778 -7.165 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.241 7.267 -6.540 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.018 7.198 -5.085 1.00 0.00 C ATOM 1763 C VAL A 117 -13.956 8.596 -4.461 1.00 0.00 C ATOM 1764 O VAL A 117 -13.453 9.539 -5.078 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.726 6.422 -4.762 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.859 4.990 -5.260 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.516 7.088 -5.444 1.00 0.00 C ATOM 0 H VAL A 117 -13.606 7.895 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.866 6.667 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.572 6.428 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.946 4.439 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.705 4.510 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.022 4.993 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.611 6.529 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.665 7.095 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.414 8.112 -5.085 1.00 0.00 H new ATOM 1777 N THR A 118 -14.431 8.701 -3.216 1.00 0.00 N ATOM 1778 CA THR A 118 -14.395 9.962 -2.471 1.00 0.00 C ATOM 1779 C THR A 118 -13.963 9.735 -1.036 1.00 0.00 C ATOM 1780 O THR A 118 -13.945 8.599 -0.551 1.00 0.00 O ATOM 1781 CB THR A 118 -15.752 10.669 -2.505 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.741 9.830 -1.937 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.122 11.021 -3.947 1.00 0.00 C ATOM 0 H THR A 118 -14.846 7.924 -2.702 1.00 0.00 H new ATOM 0 HA THR A 118 -13.662 10.604 -2.958 1.00 0.00 H new ATOM 0 HB THR A 118 -15.692 11.590 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.416 8.905 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.089 11.524 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.363 11.681 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.178 10.109 -4.541 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.607 10.825 -0.369 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.157 10.778 1.021 1.00 0.00 C ATOM 1793 C LYS A 119 -14.222 10.187 1.961 1.00 0.00 C ATOM 1794 O LYS A 119 -13.893 9.746 3.069 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.758 12.190 1.491 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.976 13.135 1.431 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.566 14.534 1.900 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.775 15.470 1.834 1.00 0.00 C ATOM 1799 NZ LYS A 119 -14.379 16.831 2.297 1.00 0.00 N ATOM 0 H LYS A 119 -13.621 11.762 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.290 10.118 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.372 12.147 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.956 12.578 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.363 13.181 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.779 12.750 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.183 14.489 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.761 14.918 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.155 15.518 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.582 15.083 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.201 17.466 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.036 16.778 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.623 17.199 1.685 1.00 0.00 H new ATOM 1813 N THR A 120 -15.497 10.219 1.533 1.00 0.00 N ATOM 1814 CA THR A 120 -16.591 9.721 2.381 1.00 0.00 C ATOM 1815 C THR A 120 -17.751 9.115 1.565 1.00 0.00 C ATOM 1816 O THR A 120 -18.888 9.051 2.050 1.00 0.00 O ATOM 1817 CB THR A 120 -17.106 10.855 3.291 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.128 10.353 4.140 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.659 12.012 2.444 1.00 0.00 C ATOM 0 H THR A 120 -15.790 10.577 0.624 1.00 0.00 H new ATOM 0 HA THR A 120 -16.185 8.914 2.992 1.00 0.00 H new ATOM 0 HB THR A 120 -16.278 11.228 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.548 9.573 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.018 12.804 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.869 12.403 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.482 11.651 1.827 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.454 8.662 0.340 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.471 8.053 -0.525 1.00 0.00 C ATOM 1829 C ALA A 121 -17.824 7.201 -1.616 1.00 0.00 C ATOM 1830 O ALA A 121 -16.624 7.325 -1.881 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.357 9.136 -1.154 1.00 0.00 C ATOM 0 H ALA A 121 -16.522 8.706 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.092 7.403 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.106 8.668 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.854 9.702 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.741 9.809 -1.751 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.629 6.338 -2.246 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.141 5.468 -3.318 1.00 0.00 C ATOM 1839 C VAL A 122 -19.153 5.414 -4.475 1.00 0.00 C ATOM 1840 O VAL A 122 -20.367 5.380 -4.248 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.852 4.050 -2.761 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -19.140 3.415 -2.220 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -17.255 3.156 -3.863 1.00 0.00 C ATOM 0 H VAL A 122 -19.620 6.225 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.211 5.879 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.133 4.140 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -18.920 2.420 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -19.543 4.035 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -19.873 3.338 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.057 2.163 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -17.961 3.077 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.324 3.594 -4.222 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.633 5.409 -5.706 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.470 5.360 -6.899 1.00 0.00 C ATOM 1855 C ALA A 123 -18.778 4.575 -8.007 1.00 0.00 C ATOM 1856 O ALA A 123 -17.558 4.397 -7.983 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.781 6.778 -7.383 1.00 0.00 C ATOM 0 H ALA A 123 -17.632 5.439 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.403 4.857 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.407 6.729 -8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.308 7.323 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -18.851 7.294 -7.621 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.571 4.106 -8.973 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.055 3.337 -10.103 1.00 0.00 C ATOM 1865 C HIS A 124 -19.210 4.124 -11.405 1.00 0.00 C ATOM 1866 O HIS A 124 -20.012 5.061 -11.481 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.774 1.969 -10.201 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.265 2.159 -10.402 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.112 2.525 -9.366 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.064 2.033 -11.512 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.359 2.606 -9.872 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.384 2.315 -11.175 1.00 0.00 N ATOM 0 H HIS A 124 -20.581 4.248 -8.993 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.993 3.155 -9.940 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.361 1.394 -11.030 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.595 1.393 -9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.720 1.757 -12.498 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.231 2.874 -9.294 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.197 2.302 -11.791 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.416 3.755 -12.412 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.432 4.440 -13.706 1.00 0.00 C ATOM 1882 C ARG A 125 -18.982 3.520 -14.820 1.00 0.00 C ATOM 1883 O ARG A 125 -18.783 2.303 -14.762 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.010 4.889 -14.063 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.531 5.961 -13.064 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.215 7.300 -13.380 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.631 8.389 -12.571 1.00 0.00 N ATOM 1888 CZ ARG A 125 -17.040 9.684 -12.667 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -18.002 10.040 -13.500 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -16.470 10.593 -11.922 1.00 0.00 N ATOM 0 H ARG A 125 -17.752 2.983 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.088 5.307 -13.628 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.334 4.034 -14.044 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.990 5.289 -15.077 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.764 5.653 -12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.448 6.071 -13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.105 7.529 -14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.284 7.224 -13.179 1.00 0.00 H new ATOM 0 HE ARG A 125 -15.888 8.161 -11.911 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.454 9.339 -14.087 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -18.293 11.016 -13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.726 10.330 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.769 11.566 -11.986 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.656 4.077 -15.858 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.192 3.255 -16.989 1.00 0.00 C ATOM 1906 C PRO A 126 -19.070 2.737 -17.874 1.00 0.00 C ATOM 1907 O PRO A 126 -18.005 3.360 -17.963 1.00 0.00 O ATOM 1908 CB PRO A 126 -21.085 4.232 -17.756 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.494 5.573 -17.490 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.971 5.524 -16.058 1.00 0.00 C ATOM 0 HA PRO A 126 -20.728 2.370 -16.646 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -21.093 4.007 -18.823 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -22.118 4.179 -17.411 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.689 5.791 -18.192 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.241 6.359 -17.606 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.088 6.150 -15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.716 5.876 -15.345 1.00 0.00 H new ATOM 1918 N GLY A 127 -19.309 1.594 -18.520 1.00 0.00 N ATOM 1919 CA GLY A 127 -18.304 0.987 -19.396 1.00 0.00 C ATOM 1920 C GLY A 127 -17.238 0.209 -18.602 1.00 0.00 C ATOM 1921 O GLY A 127 -16.181 -0.127 -19.145 1.00 0.00 O ATOM 0 H GLY A 127 -20.183 1.073 -18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.795 0.314 -20.099 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.820 1.765 -19.986 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.515 -0.062 -17.310 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.576 -0.781 -16.447 1.00 0.00 C ATOM 1927 C ALA A 128 -16.086 -2.063 -17.117 1.00 0.00 C ATOM 1928 O ALA A 128 -16.812 -2.692 -17.892 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.241 -1.119 -15.113 1.00 0.00 C ATOM 0 H ALA A 128 -18.383 0.209 -16.848 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.717 -0.134 -16.270 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.534 -1.654 -14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.549 -0.199 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.115 -1.746 -15.291 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.833 -2.415 -16.833 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.197 -3.594 -17.424 1.00 0.00 C ATOM 1937 C PHE A 129 -14.806 -4.881 -16.889 1.00 0.00 C ATOM 1938 O PHE A 129 -15.197 -4.958 -15.721 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.697 -3.575 -17.134 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.036 -2.489 -17.959 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.990 -1.178 -17.481 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.471 -2.801 -19.203 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.381 -0.174 -18.243 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.861 -1.798 -19.966 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.816 -0.484 -19.486 1.00 0.00 C ATOM 0 H PHE A 129 -14.233 -1.896 -16.192 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.364 -3.562 -18.501 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.523 -3.397 -16.073 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.258 -4.544 -17.371 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.425 -0.938 -16.522 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.506 -3.815 -19.573 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.347 0.840 -17.872 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.425 -2.038 -20.925 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.346 0.290 -20.074 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.881 -5.892 -17.761 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.440 -7.194 -17.396 1.00 0.00 C ATOM 1957 C LYS A 130 -14.543 -8.319 -17.871 1.00 0.00 C ATOM 1958 O LYS A 130 -13.791 -8.158 -18.839 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.841 -7.363 -17.975 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.768 -6.330 -17.348 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.174 -6.475 -17.931 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.099 -5.435 -17.296 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.466 -5.573 -17.870 1.00 0.00 N ATOM 0 H LYS A 130 -14.560 -5.831 -18.727 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.504 -7.236 -16.309 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.818 -7.239 -19.058 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.211 -8.369 -17.777 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.797 -6.463 -16.267 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.388 -5.326 -17.536 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.146 -6.341 -19.012 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.555 -7.479 -17.744 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.131 -5.572 -16.215 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.715 -4.431 -17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -22.096 -4.867 -17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.428 -5.422 -18.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.830 -6.527 -17.674 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.604 -9.450 -17.167 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.767 -10.607 -17.494 1.00 0.00 C ATOM 1979 C ALA A 131 -12.276 -10.233 -17.504 1.00 0.00 C ATOM 1980 O ALA A 131 -11.452 -10.973 -18.051 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.163 -11.180 -18.858 1.00 0.00 C ATOM 0 H ALA A 131 -15.223 -9.590 -16.368 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.927 -11.361 -16.723 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.533 -12.039 -19.088 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.207 -11.492 -18.832 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.031 -10.417 -19.625 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.936 -9.087 -16.882 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.552 -8.633 -16.810 1.00 0.00 C ATOM 1989 C GLU A 132 -9.976 -8.934 -15.425 1.00 0.00 C ATOM 1990 O GLU A 132 -10.609 -8.647 -14.405 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.468 -7.130 -17.118 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.988 -6.704 -17.237 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.852 -5.221 -17.648 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -9.848 -4.506 -17.631 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.746 -4.829 -17.982 1.00 0.00 O ATOM 0 H GLU A 132 -12.606 -8.467 -16.426 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.963 -9.168 -17.555 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.996 -6.909 -18.046 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.958 -6.559 -16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.485 -6.865 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.486 -7.333 -17.972 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.790 -9.543 -15.406 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.128 -9.931 -14.150 1.00 0.00 C ATOM 2004 C LEU A 133 -6.939 -9.018 -13.869 1.00 0.00 C ATOM 2005 O LEU A 133 -6.087 -8.811 -14.739 1.00 0.00 O ATOM 2006 CB LEU A 133 -7.672 -11.420 -14.199 1.00 0.00 C ATOM 2007 CG LEU A 133 -6.879 -11.725 -15.518 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -5.845 -12.846 -15.274 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.859 -12.161 -16.646 1.00 0.00 C ATOM 0 H LEU A 133 -8.263 -9.781 -16.246 1.00 0.00 H new ATOM 0 HA LEU A 133 -8.848 -9.823 -13.339 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.045 -11.640 -13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.543 -12.072 -14.135 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.358 -10.818 -15.824 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -5.302 -13.047 -16.197 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -5.143 -12.532 -14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -6.359 -13.751 -14.951 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.297 -12.370 -17.556 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.394 -13.059 -16.336 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.574 -11.360 -16.837 1.00 0.00 H new ATOM 2021 N SER A 134 -6.922 -8.424 -12.663 1.00 0.00 N ATOM 2022 CA SER A 134 -5.874 -7.474 -12.290 1.00 0.00 C ATOM 2023 C SER A 134 -5.752 -7.324 -10.774 1.00 0.00 C ATOM 2024 O SER A 134 -6.576 -7.841 -10.016 1.00 0.00 O ATOM 2025 CB SER A 134 -6.175 -6.114 -12.912 1.00 0.00 C ATOM 2026 OG SER A 134 -5.140 -5.202 -12.576 1.00 0.00 O ATOM 0 H SER A 134 -7.620 -8.587 -11.938 1.00 0.00 H new ATOM 0 HA SER A 134 -4.926 -7.861 -12.664 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.255 -6.207 -13.995 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.134 -5.741 -12.552 1.00 0.00 H new ATOM 0 HG SER A 134 -5.244 -4.381 -13.101 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.723 -6.580 -10.350 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.479 -6.308 -8.926 1.00 0.00 C ATOM 2034 C LYS A 135 -4.625 -4.813 -8.654 1.00 0.00 C ATOM 2035 O LYS A 135 -4.357 -3.993 -9.533 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.058 -6.771 -8.498 1.00 0.00 C ATOM 2037 CG LYS A 135 -1.973 -6.246 -9.484 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.705 -7.284 -10.592 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.863 -8.434 -10.032 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.566 -9.406 -11.121 1.00 0.00 N ATOM 0 H LYS A 135 -4.041 -6.153 -10.977 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.213 -6.867 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.843 -6.411 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.023 -7.860 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.301 -5.307 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.051 -6.037 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -2.649 -7.667 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.185 -6.813 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.065 -8.048 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.398 -8.930 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.006 -10.188 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.457 -9.782 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.039 -8.927 -11.879 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.075 -4.466 -7.440 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.295 -3.055 -7.071 1.00 0.00 C ATOM 2056 C LEU A 136 -4.294 -2.575 -6.021 1.00 0.00 C ATOM 2057 O LEU A 136 -3.846 -3.346 -5.176 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.725 -2.837 -6.534 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.798 -3.348 -7.553 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.180 -4.808 -7.236 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -9.061 -2.465 -7.460 1.00 0.00 C ATOM 0 H LEU A 136 -5.293 -5.134 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.153 -2.473 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.843 -3.360 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.884 -1.777 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.381 -3.295 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -8.927 -5.152 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.294 -5.439 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.590 -4.866 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.807 -2.822 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.467 -2.516 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.801 -1.433 -7.695 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.993 -1.274 -6.065 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.099 -0.639 -5.097 1.00 0.00 C ATOM 2075 C VAL A 137 -3.604 0.779 -4.773 1.00 0.00 C ATOM 2076 O VAL A 137 -3.828 1.591 -5.677 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.647 -0.613 -5.645 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.565 0.222 -6.930 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.696 -0.029 -4.590 1.00 0.00 C ATOM 0 H VAL A 137 -4.361 -0.635 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.095 -1.217 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.351 -1.637 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.538 0.226 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.219 -0.211 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.880 1.244 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.320 -0.015 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.004 0.987 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.728 -0.644 -3.691 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.827 1.038 -3.483 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.357 2.328 -3.028 1.00 0.00 C ATOM 2091 C ILE A 138 -3.436 2.952 -1.974 1.00 0.00 C ATOM 2092 O ILE A 138 -3.131 2.324 -0.954 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.792 2.147 -2.444 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.725 1.484 -3.499 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.376 3.523 -2.056 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.591 -0.043 -3.456 1.00 0.00 C ATOM 0 H ILE A 138 -3.649 0.371 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.405 2.999 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.729 1.508 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.759 1.769 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.473 1.848 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.378 3.391 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.738 3.991 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.424 4.160 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.251 -0.487 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.560 -0.324 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.866 -0.405 -2.465 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.046 4.210 -2.207 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.214 4.952 -1.253 1.00 0.00 C ATOM 2110 C VAL A 139 -2.996 6.169 -0.757 1.00 0.00 C ATOM 2111 O VAL A 139 -3.444 6.999 -1.555 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.882 5.389 -1.922 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.006 6.161 -0.920 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.115 4.148 -2.402 1.00 0.00 C ATOM 0 H VAL A 139 -3.292 4.735 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.967 4.312 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.114 6.035 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.924 6.460 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.539 7.048 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.219 5.522 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.819 4.457 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.102 3.503 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.721 3.603 -3.125 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.178 6.243 0.561 1.00 0.00 N ATOM 2125 CA ALA A 140 -3.935 7.327 1.180 1.00 0.00 C ATOM 2126 C ALA A 140 -3.119 8.006 2.266 1.00 0.00 C ATOM 2127 O ALA A 140 -2.313 7.365 2.936 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.235 6.780 1.775 1.00 0.00 C ATOM 0 H ALA A 140 -2.809 5.560 1.223 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.168 8.064 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.795 7.594 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.835 6.328 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.002 6.028 2.529 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.337 9.310 2.427 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.635 10.097 3.428 1.00 0.00 C ATOM 2136 C LYS A 141 -3.492 10.227 4.680 1.00 0.00 C ATOM 2137 O LYS A 141 -4.714 10.401 4.587 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.336 11.485 2.880 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.354 12.196 3.805 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.033 13.581 3.239 1.00 0.00 C ATOM 2141 CE LYS A 141 0.093 14.222 4.051 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.357 14.434 5.458 1.00 0.00 N ATOM 0 H LYS A 141 -4.002 9.844 1.868 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.700 9.595 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.917 11.409 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.257 12.062 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.781 12.289 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.440 11.610 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.738 13.497 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.921 14.212 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.976 13.583 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.380 15.174 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.314 15.060 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.301 14.870 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.398 13.519 5.951 1.00 0.00 H new ATOM 2156 N ALA A 142 -2.849 10.142 5.849 1.00 0.00 N ATOM 2157 CA ALA A 142 -3.562 10.251 7.117 1.00 0.00 C ATOM 2158 C ALA A 142 -4.325 11.570 7.189 1.00 0.00 C ATOM 2159 O ALA A 142 -3.761 12.639 6.934 1.00 0.00 O ATOM 2160 CB ALA A 142 -2.581 10.156 8.284 1.00 0.00 C ATOM 0 H ALA A 142 -1.843 9.999 5.939 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.275 9.429 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.125 10.239 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -2.064 9.197 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -1.853 10.964 8.214 1.00 0.00 H new