USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 66 THR OG1 : rot -47:sc= 0.913 USER MOD Set 1.2: A 121 TYR OH : rot 30:sc= 1.32 USER MOD Set 2.1: A 63 TYR OH : rot 165:sc= -0.867 USER MOD Set 2.2: A 120 LYS NZ :NH3+ 180:sc= -1.37! (180deg=-1.37!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -2.28 (180deg=-5.05!) USER MOD Single : A 60 ASN : amide:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 62 ASN : amide:sc= -1.07! C(o=-1.1!,f=-5.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.867 F(o=-3.2!,f=-0.87) USER MOD Single : A 78 MET CE :methyl 172:sc= -6.17! (180deg=-6.46!) USER MOD Single : A 80 ASN : amide:sc= 0.501 K(o=0.5,f=-0.2) USER MOD Single : A 82 GLN :FLIP amide:sc= -2 F(o=-2.7!,f=-2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -1.5 (180deg=-2.39!) USER MOD Single : A 92 MET CE :methyl 153:sc= -0.248 (180deg=-1.04) USER MOD Single : A 93 SER OG : rot 63:sc= 1.24 USER MOD Single : A 94 GLN :FLIP amide:sc= -7.94! C(o=-11!,f=-7.9!) USER MOD Single : A 97 ASN :FLIP amide:sc= -5.48! C(o=-9.3!,f=-5.5!) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.042) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -63:sc= -0.332 USER MOD Single : A 125 GLN :FLIP amide:sc= -4.44! C(o=-8.7!,f=-4.4!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.949 -9.553 -2.695 1.00 0.00 N ATOM 107 CA ARG A 36 0.907 -8.976 -3.526 1.00 0.00 C ATOM 108 C ARG A 36 1.025 -9.503 -4.949 1.00 0.00 C ATOM 109 O ARG A 36 2.119 -9.842 -5.408 1.00 0.00 O ATOM 110 CB ARG A 36 1.016 -7.450 -3.509 1.00 0.00 C ATOM 111 CG ARG A 36 0.642 -6.927 -2.118 1.00 0.00 C ATOM 112 CD ARG A 36 0.936 -5.428 -2.049 1.00 0.00 C ATOM 113 NE ARG A 36 0.641 -4.899 -0.720 1.00 0.00 N ATOM 114 CZ ARG A 36 1.576 -4.851 0.229 1.00 0.00 C ATOM 115 NH1 ARG A 36 2.765 -5.336 -0.002 1.00 0.00 N ATOM 116 NH2 ARG A 36 1.301 -4.326 1.391 1.00 0.00 N ATOM 0 HA ARG A 36 -0.068 -9.262 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.031 -7.144 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.355 -7.019 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.413 -7.112 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.209 -7.457 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.983 -5.247 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.340 -4.902 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.299 -4.560 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.979 -5.752 -0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.481 -5.299 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.370 -3.952 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.017 -4.290 2.117 1.00 0.00 H new ATOM 130 N ARG A 37 -0.102 -9.575 -5.645 1.00 0.00 N ATOM 131 CA ARG A 37 -0.104 -10.070 -7.014 1.00 0.00 C ATOM 132 C ARG A 37 -1.163 -9.373 -7.851 1.00 0.00 C ATOM 133 O ARG A 37 -2.297 -9.172 -7.413 1.00 0.00 O ATOM 134 CB ARG A 37 -0.371 -11.572 -7.028 1.00 0.00 C ATOM 135 CG ARG A 37 -0.318 -12.091 -8.469 1.00 0.00 C ATOM 136 CD ARG A 37 -0.658 -13.583 -8.482 1.00 0.00 C ATOM 137 NE ARG A 37 -1.965 -13.806 -7.875 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.543 -15.002 -7.903 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.949 -15.998 -8.505 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.701 -15.184 -7.330 1.00 0.00 N ATOM 0 H ARG A 37 -1.017 -9.300 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 37 0.876 -9.861 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.369 -12.089 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.347 -11.782 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.023 -11.540 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.674 -11.929 -8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.656 -13.955 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.104 -14.142 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.445 -13.029 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.043 -15.857 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.391 -16.917 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.165 -14.407 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.143 -16.103 -7.353 1.00 0.00 H new ATOM 154 N GLU A 38 -0.777 -9.016 -9.064 1.00 0.00 N ATOM 155 CA GLU A 38 -1.683 -8.349 -9.983 1.00 0.00 C ATOM 156 C GLU A 38 -1.642 -9.045 -11.335 1.00 0.00 C ATOM 157 O GLU A 38 -0.585 -9.477 -11.793 1.00 0.00 O ATOM 158 CB GLU A 38 -1.283 -6.880 -10.124 1.00 0.00 C ATOM 159 CG GLU A 38 -1.774 -6.108 -8.896 1.00 0.00 C ATOM 160 CD GLU A 38 -1.144 -6.679 -7.629 1.00 0.00 C ATOM 161 OE1 GLU A 38 -0.060 -7.225 -7.722 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.764 -6.569 -6.583 1.00 0.00 O ATOM 0 H GLU A 38 0.159 -9.177 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.700 -8.398 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.200 -6.792 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.715 -6.458 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.519 -5.053 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.860 -6.168 -8.830 1.00 0.00 H new ATOM 169 N LEU A 39 -2.797 -9.160 -11.969 1.00 0.00 N ATOM 170 CA LEU A 39 -2.867 -9.818 -13.263 1.00 0.00 C ATOM 171 C LEU A 39 -3.825 -9.063 -14.175 1.00 0.00 C ATOM 172 O LEU A 39 -4.838 -8.540 -13.715 1.00 0.00 O ATOM 173 CB LEU A 39 -3.345 -11.267 -13.090 1.00 0.00 C ATOM 174 CG LEU A 39 -2.932 -12.096 -14.311 1.00 0.00 C ATOM 175 CD1 LEU A 39 -2.951 -13.583 -13.953 1.00 0.00 C ATOM 176 CD2 LEU A 39 -3.891 -11.837 -15.477 1.00 0.00 C ATOM 0 H LEU A 39 -3.688 -8.812 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.874 -9.823 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.916 -11.696 -12.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.428 -11.291 -12.971 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.925 -11.805 -14.610 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.657 -14.170 -14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.253 -13.770 -13.136 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.956 -13.870 -13.644 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.586 -12.432 -16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.903 -12.115 -15.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.867 -10.779 -15.740 1.00 0.00 H new ATOM 188 N ALA A 40 -3.509 -9.006 -15.464 1.00 0.00 N ATOM 189 CA ALA A 40 -4.371 -8.300 -16.408 1.00 0.00 C ATOM 190 C ALA A 40 -4.461 -9.059 -17.727 1.00 0.00 C ATOM 191 O ALA A 40 -3.474 -9.617 -18.209 1.00 0.00 O ATOM 192 CB ALA A 40 -3.820 -6.895 -16.671 1.00 0.00 C ATOM 0 H ALA A 40 -2.678 -9.431 -15.875 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.367 -8.228 -15.971 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.469 -6.376 -17.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.782 -6.338 -15.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.816 -6.970 -17.089 1.00 0.00 H new ATOM 198 N CYS A 41 -5.659 -9.089 -18.296 1.00 0.00 N ATOM 199 CA CYS A 41 -5.881 -9.798 -19.547 1.00 0.00 C ATOM 200 C CYS A 41 -5.124 -9.129 -20.685 1.00 0.00 C ATOM 201 O CYS A 41 -5.067 -7.902 -20.775 1.00 0.00 O ATOM 202 CB CYS A 41 -7.373 -9.813 -19.865 1.00 0.00 C ATOM 203 SG CYS A 41 -8.302 -10.225 -18.367 1.00 0.00 S ATOM 0 H CYS A 41 -6.487 -8.633 -17.913 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.516 -10.819 -19.440 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.685 -8.840 -20.244 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.582 -10.542 -20.648 1.00 0.00 H new ATOM 208 N GLU A 42 -4.538 -9.950 -21.548 1.00 0.00 N ATOM 209 CA GLU A 42 -3.776 -9.441 -22.679 1.00 0.00 C ATOM 210 C GLU A 42 -4.529 -8.361 -23.447 1.00 0.00 C ATOM 211 O GLU A 42 -5.704 -8.519 -23.781 1.00 0.00 O ATOM 212 CB GLU A 42 -3.454 -10.590 -23.632 1.00 0.00 C ATOM 213 CG GLU A 42 -2.687 -10.055 -24.847 1.00 0.00 C ATOM 214 CD GLU A 42 -2.522 -11.160 -25.884 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.922 -12.274 -25.598 1.00 0.00 O ATOM 216 OE2 GLU A 42 -2.007 -10.875 -26.952 1.00 0.00 O ATOM 0 H GLU A 42 -4.576 -10.967 -21.486 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.864 -8.996 -22.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.859 -11.345 -23.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.375 -11.075 -23.956 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.222 -9.212 -25.283 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.709 -9.686 -24.537 1.00 0.00 H new ATOM 223 N GLY A 43 -3.822 -7.279 -23.751 1.00 0.00 N ATOM 224 CA GLY A 43 -4.394 -6.179 -24.517 1.00 0.00 C ATOM 225 C GLY A 43 -4.952 -5.066 -23.642 1.00 0.00 C ATOM 226 O GLY A 43 -5.194 -3.962 -24.134 1.00 0.00 O ATOM 0 H GLY A 43 -2.849 -7.140 -23.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.629 -5.766 -25.175 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.189 -6.564 -25.155 1.00 0.00 H new ATOM 230 N TYR A 44 -5.156 -5.329 -22.354 1.00 0.00 N ATOM 231 CA TYR A 44 -5.686 -4.302 -21.463 1.00 0.00 C ATOM 232 C TYR A 44 -4.608 -3.774 -20.522 1.00 0.00 C ATOM 233 O TYR A 44 -3.718 -4.513 -20.099 1.00 0.00 O ATOM 234 CB TYR A 44 -6.828 -4.868 -20.623 1.00 0.00 C ATOM 235 CG TYR A 44 -7.951 -5.312 -21.520 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.919 -6.584 -22.103 1.00 0.00 C ATOM 237 CD2 TYR A 44 -9.034 -4.457 -21.757 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.970 -7.004 -22.925 1.00 0.00 C ATOM 239 CE2 TYR A 44 -10.088 -4.878 -22.578 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.055 -6.151 -23.163 1.00 0.00 C ATOM 241 OH TYR A 44 -11.094 -6.566 -23.972 1.00 0.00 O ATOM 0 H TYR A 44 -4.966 -6.228 -21.910 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.047 -3.485 -22.088 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.472 -5.709 -20.028 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.186 -4.112 -19.924 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.082 -7.242 -21.918 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.057 -3.475 -21.308 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.945 -7.985 -23.376 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.926 -4.222 -22.760 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.766 -5.855 -24.032 1.00 0.00 H new ATOM 251 N PRO A 45 -4.688 -2.523 -20.169 1.00 0.00 N ATOM 252 CA PRO A 45 -3.718 -1.886 -19.237 1.00 0.00 C ATOM 253 C PRO A 45 -3.840 -2.422 -17.813 1.00 0.00 C ATOM 254 O PRO A 45 -4.921 -2.815 -17.370 1.00 0.00 O ATOM 255 CB PRO A 45 -4.074 -0.400 -19.299 1.00 0.00 C ATOM 256 CG PRO A 45 -5.501 -0.360 -19.725 1.00 0.00 C ATOM 257 CD PRO A 45 -5.717 -1.574 -20.621 1.00 0.00 C ATOM 0 HA PRO A 45 -2.686 -2.092 -19.522 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.939 0.079 -18.329 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.436 0.129 -20.007 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.165 -0.392 -18.861 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.720 0.563 -20.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.720 -1.985 -20.505 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.595 -1.322 -21.674 1.00 0.00 H new ATOM 265 N ILE A 46 -2.721 -2.426 -17.103 1.00 0.00 N ATOM 266 CA ILE A 46 -2.694 -2.901 -15.727 1.00 0.00 C ATOM 267 C ILE A 46 -2.212 -1.787 -14.813 1.00 0.00 C ATOM 268 O ILE A 46 -1.354 -0.990 -15.192 1.00 0.00 O ATOM 269 CB ILE A 46 -1.741 -4.090 -15.611 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.849 -4.718 -14.218 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.308 -3.601 -15.832 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.930 -5.946 -14.140 1.00 0.00 C ATOM 0 H ILE A 46 -1.820 -2.106 -17.457 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.699 -3.207 -15.435 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.004 -4.837 -16.360 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.568 -3.991 -13.456 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.880 -5.008 -14.017 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.380 -4.442 -15.751 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.224 -3.157 -16.824 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.058 -2.854 -15.078 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.005 -6.394 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.232 -6.675 -14.892 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.100 -5.641 -14.323 1.00 0.00 H new ATOM 284 N GLU A 47 -2.774 -1.722 -13.619 1.00 0.00 N ATOM 285 CA GLU A 47 -2.388 -0.681 -12.678 1.00 0.00 C ATOM 286 C GLU A 47 -1.856 -1.277 -11.383 1.00 0.00 C ATOM 287 O GLU A 47 -2.498 -2.126 -10.764 1.00 0.00 O ATOM 288 CB GLU A 47 -3.581 0.224 -12.390 1.00 0.00 C ATOM 289 CG GLU A 47 -3.115 1.419 -11.562 1.00 0.00 C ATOM 290 CD GLU A 47 -4.279 2.384 -11.348 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.353 2.111 -11.862 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.077 3.387 -10.685 1.00 0.00 O ATOM 0 H GLU A 47 -3.489 -2.366 -13.280 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.589 -0.093 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.028 0.565 -13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.351 -0.329 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.731 1.079 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.297 1.929 -12.070 1.00 0.00 H new ATOM 299 N LEU A 48 -0.685 -0.802 -10.972 1.00 0.00 N ATOM 300 CA LEU A 48 -0.058 -1.259 -9.742 1.00 0.00 C ATOM 301 C LEU A 48 0.066 -0.096 -8.772 1.00 0.00 C ATOM 302 O LEU A 48 0.380 1.023 -9.179 1.00 0.00 O ATOM 303 CB LEU A 48 1.319 -1.835 -10.057 1.00 0.00 C ATOM 304 CG LEU A 48 1.155 -2.892 -11.141 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.520 -3.485 -11.498 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.234 -3.998 -10.630 1.00 0.00 C ATOM 0 H LEU A 48 -0.150 -0.096 -11.478 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.670 -2.036 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.993 -1.047 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.762 -2.273 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 48 0.721 -2.435 -12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.397 -4.241 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.176 -2.694 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.961 -3.943 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.114 -4.757 -11.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.670 -4.452 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.740 -3.575 -10.382 1.00 0.00 H new ATOM 318 N ARG A 49 -0.178 -0.349 -7.496 1.00 0.00 N ATOM 319 CA ARG A 49 -0.080 0.715 -6.509 1.00 0.00 C ATOM 320 C ARG A 49 0.279 0.171 -5.135 1.00 0.00 C ATOM 321 O ARG A 49 -0.312 -0.798 -4.659 1.00 0.00 O ATOM 322 CB ARG A 49 -1.407 1.462 -6.382 1.00 0.00 C ATOM 323 CG ARG A 49 -1.779 2.120 -7.705 1.00 0.00 C ATOM 324 CD ARG A 49 -3.102 2.865 -7.527 1.00 0.00 C ATOM 325 NE ARG A 49 -2.893 4.079 -6.745 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.607 5.176 -6.972 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.497 5.189 -7.927 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.422 6.242 -6.238 1.00 0.00 N ATOM 0 H ARG A 49 -0.440 -1.262 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 49 0.705 1.388 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.193 0.770 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.331 2.219 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.996 2.811 -8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.871 1.368 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.520 3.118 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.826 2.222 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.185 4.085 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.644 4.357 -8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.045 6.031 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.729 6.232 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.971 7.084 -6.413 1.00 0.00 H new ATOM 342 N CYS A 50 1.229 0.831 -4.497 1.00 0.00 N ATOM 343 CA CYS A 50 1.649 0.449 -3.159 1.00 0.00 C ATOM 344 C CYS A 50 0.907 1.281 -2.116 1.00 0.00 C ATOM 345 O CYS A 50 0.750 2.490 -2.282 1.00 0.00 O ATOM 346 CB CYS A 50 3.149 0.669 -2.999 1.00 0.00 C ATOM 347 SG CYS A 50 4.030 -0.805 -3.553 1.00 0.00 S ATOM 0 H CYS A 50 1.725 1.634 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 50 1.417 -0.606 -3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.465 1.535 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.388 0.879 -1.957 1.00 0.00 H new ATOM 352 N PRO A 51 0.463 0.677 -1.048 1.00 0.00 N ATOM 353 CA PRO A 51 -0.251 1.417 0.021 1.00 0.00 C ATOM 354 C PRO A 51 0.700 2.355 0.761 1.00 0.00 C ATOM 355 O PRO A 51 1.920 2.228 0.655 1.00 0.00 O ATOM 356 CB PRO A 51 -0.800 0.324 0.946 1.00 0.00 C ATOM 357 CG PRO A 51 -0.014 -0.914 0.650 1.00 0.00 C ATOM 358 CD PRO A 51 0.597 -0.754 -0.744 1.00 0.00 C ATOM 0 HA PRO A 51 -1.045 2.053 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.693 0.611 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.863 0.161 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.767 -1.059 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.657 -1.793 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.642 -1.065 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.073 -1.366 -1.479 1.00 0.00 H new ATOM 366 N GLY A 52 0.145 3.290 1.516 1.00 0.00 N ATOM 367 CA GLY A 52 0.965 4.223 2.270 1.00 0.00 C ATOM 368 C GLY A 52 1.998 4.915 1.380 1.00 0.00 C ATOM 369 O GLY A 52 1.713 5.284 0.240 1.00 0.00 O ATOM 0 H GLY A 52 -0.861 3.422 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.327 4.973 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.475 3.692 3.074 1.00 0.00 H new ATOM 373 N SER A 53 3.197 5.082 1.924 1.00 0.00 N ATOM 374 CA SER A 53 4.289 5.728 1.197 1.00 0.00 C ATOM 375 C SER A 53 5.326 4.701 0.755 1.00 0.00 C ATOM 376 O SER A 53 6.476 5.043 0.481 1.00 0.00 O ATOM 377 CB SER A 53 4.953 6.787 2.074 1.00 0.00 C ATOM 378 OG SER A 53 5.861 6.152 2.969 1.00 0.00 O ATOM 0 H SER A 53 3.441 4.780 2.867 1.00 0.00 H new ATOM 0 HA SER A 53 3.872 6.206 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.482 7.511 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.198 7.338 2.634 1.00 0.00 H new ATOM 0 HG SER A 53 6.291 6.828 3.533 1.00 0.00 H new ATOM 384 N ASP A 54 4.909 3.444 0.682 1.00 0.00 N ATOM 385 CA ASP A 54 5.800 2.371 0.264 1.00 0.00 C ATOM 386 C ASP A 54 5.985 2.382 -1.254 1.00 0.00 C ATOM 387 O ASP A 54 5.280 3.092 -1.971 1.00 0.00 O ATOM 388 CB ASP A 54 5.233 1.027 0.713 1.00 0.00 C ATOM 389 CG ASP A 54 5.219 0.953 2.233 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.819 1.815 2.853 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.605 0.038 2.755 1.00 0.00 O ATOM 0 H ASP A 54 3.961 3.143 0.907 1.00 0.00 H new ATOM 0 HA ASP A 54 6.774 2.525 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.222 0.901 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.835 0.214 0.306 1.00 0.00 H new ATOM 396 N VAL A 55 6.930 1.582 -1.737 1.00 0.00 N ATOM 397 CA VAL A 55 7.191 1.501 -3.171 1.00 0.00 C ATOM 398 C VAL A 55 7.149 0.051 -3.645 1.00 0.00 C ATOM 399 O VAL A 55 7.543 -0.864 -2.922 1.00 0.00 O ATOM 400 CB VAL A 55 8.561 2.094 -3.482 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.549 3.591 -3.171 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.610 1.398 -2.613 1.00 0.00 C ATOM 0 H VAL A 55 7.524 0.984 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 55 6.418 2.066 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 55 8.799 1.948 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.528 4.017 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.792 4.083 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.318 3.742 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.594 1.814 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.372 1.553 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.613 0.330 -2.831 1.00 0.00 H new ATOM 412 N ILE A 56 6.657 -0.148 -4.862 1.00 0.00 N ATOM 413 CA ILE A 56 6.550 -1.487 -5.429 1.00 0.00 C ATOM 414 C ILE A 56 7.915 -2.095 -5.740 1.00 0.00 C ATOM 415 O ILE A 56 8.794 -1.436 -6.299 1.00 0.00 O ATOM 416 CB ILE A 56 5.733 -1.442 -6.726 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.300 -0.985 -6.424 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.713 -2.841 -7.350 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.520 -0.780 -7.726 1.00 0.00 C ATOM 0 H ILE A 56 6.327 0.598 -5.474 1.00 0.00 H new ATOM 0 HA ILE A 56 6.058 -2.109 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 56 6.187 -0.736 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.797 -1.728 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.320 -0.056 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.134 -2.819 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.733 -3.156 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.257 -3.544 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.505 -0.456 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.015 -0.020 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.484 -1.718 -8.280 1.00 0.00 H new ATOM 431 N MET A 57 8.061 -3.381 -5.429 1.00 0.00 N ATOM 432 CA MET A 57 9.289 -4.097 -5.736 1.00 0.00 C ATOM 433 C MET A 57 8.927 -5.403 -6.430 1.00 0.00 C ATOM 434 O MET A 57 8.505 -6.372 -5.793 1.00 0.00 O ATOM 435 CB MET A 57 10.137 -4.368 -4.487 1.00 0.00 C ATOM 436 CG MET A 57 9.249 -4.702 -3.293 1.00 0.00 C ATOM 437 SD MET A 57 10.250 -5.521 -2.027 1.00 0.00 S ATOM 438 CE MET A 57 11.647 -4.367 -2.055 1.00 0.00 C ATOM 0 H MET A 57 7.346 -3.943 -4.967 1.00 0.00 H new ATOM 0 HA MET A 57 9.898 -3.474 -6.391 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.822 -5.194 -4.679 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.747 -3.494 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.802 -3.793 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.429 -5.350 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.215 -4.461 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.293 -4.598 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.275 -3.347 -2.150 1.00 0.00 H new ATOM 448 N VAL A 58 9.071 -5.389 -7.749 1.00 0.00 N ATOM 449 CA VAL A 58 8.748 -6.548 -8.573 1.00 0.00 C ATOM 450 C VAL A 58 9.678 -7.724 -8.257 1.00 0.00 C ATOM 451 O VAL A 58 10.900 -7.605 -8.367 1.00 0.00 O ATOM 452 CB VAL A 58 8.870 -6.168 -10.052 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.354 -7.312 -10.933 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.038 -4.909 -10.324 1.00 0.00 C ATOM 0 H VAL A 58 9.411 -4.583 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 58 7.726 -6.858 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 58 9.918 -5.979 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.445 -7.032 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.942 -8.210 -10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.308 -7.508 -10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.123 -4.637 -11.376 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.993 -5.104 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.405 -4.090 -9.706 1.00 0.00 H new ATOM 464 N GLU A 59 9.092 -8.863 -7.886 1.00 0.00 N ATOM 465 CA GLU A 59 9.882 -10.054 -7.582 1.00 0.00 C ATOM 466 C GLU A 59 9.837 -11.005 -8.766 1.00 0.00 C ATOM 467 O GLU A 59 10.871 -11.495 -9.220 1.00 0.00 O ATOM 468 CB GLU A 59 9.337 -10.774 -6.343 1.00 0.00 C ATOM 469 CG GLU A 59 9.419 -9.859 -5.117 1.00 0.00 C ATOM 470 CD GLU A 59 10.872 -9.505 -4.817 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.746 -10.132 -5.390 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.090 -8.618 -4.006 1.00 0.00 O ATOM 0 H GLU A 59 8.084 -8.985 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 59 10.908 -9.743 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.303 -11.073 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.907 -11.686 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.845 -8.949 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.973 -10.354 -4.255 1.00 0.00 H new ATOM 479 N ASN A 60 8.631 -11.260 -9.264 1.00 0.00 N ATOM 480 CA ASN A 60 8.468 -12.158 -10.398 1.00 0.00 C ATOM 481 C ASN A 60 7.279 -11.746 -11.249 1.00 0.00 C ATOM 482 O ASN A 60 6.275 -11.241 -10.747 1.00 0.00 O ATOM 483 CB ASN A 60 8.254 -13.588 -9.912 1.00 0.00 C ATOM 484 CG ASN A 60 9.362 -13.976 -8.945 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.516 -14.118 -9.347 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.077 -14.153 -7.684 1.00 0.00 N ATOM 0 H ASN A 60 7.763 -10.862 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 60 9.375 -12.103 -10.999 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.284 -13.674 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.243 -14.272 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.813 -14.410 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.118 -14.034 -7.356 1.00 0.00 H new ATOM 493 N ALA A 61 7.410 -11.971 -12.548 1.00 0.00 N ATOM 494 CA ALA A 61 6.356 -11.626 -13.481 1.00 0.00 C ATOM 495 C ALA A 61 6.584 -12.329 -14.814 1.00 0.00 C ATOM 496 O ALA A 61 7.717 -12.635 -15.182 1.00 0.00 O ATOM 497 CB ALA A 61 6.322 -10.110 -13.696 1.00 0.00 C ATOM 0 H ALA A 61 8.235 -12.390 -12.976 1.00 0.00 H new ATOM 0 HA ALA A 61 5.402 -11.950 -13.066 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.527 -9.860 -14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.136 -9.612 -12.745 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.279 -9.778 -14.098 1.00 0.00 H new ATOM 503 N ASN A 62 5.496 -12.586 -15.527 1.00 0.00 N ATOM 504 CA ASN A 62 5.576 -13.257 -16.819 1.00 0.00 C ATOM 505 C ASN A 62 4.467 -12.789 -17.739 1.00 0.00 C ATOM 506 O ASN A 62 3.341 -12.558 -17.302 1.00 0.00 O ATOM 507 CB ASN A 62 5.446 -14.771 -16.654 1.00 0.00 C ATOM 508 CG ASN A 62 5.622 -15.446 -18.012 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.736 -15.519 -18.531 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.579 -15.933 -18.630 1.00 0.00 N ATOM 0 H ASN A 62 4.550 -12.341 -15.235 1.00 0.00 H new ATOM 0 HA ASN A 62 6.547 -13.011 -17.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.196 -15.137 -15.953 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.471 -15.020 -16.235 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.687 -16.374 -19.543 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.656 -15.872 -18.199 1.00 0.00 H new ATOM 517 N TYR A 63 4.777 -12.695 -19.021 1.00 0.00 N ATOM 518 CA TYR A 63 3.781 -12.307 -20.001 1.00 0.00 C ATOM 519 C TYR A 63 3.564 -13.478 -20.941 1.00 0.00 C ATOM 520 O TYR A 63 4.498 -13.935 -21.599 1.00 0.00 O ATOM 521 CB TYR A 63 4.245 -11.081 -20.783 1.00 0.00 C ATOM 522 CG TYR A 63 3.291 -10.819 -21.924 1.00 0.00 C ATOM 523 CD1 TYR A 63 1.996 -10.356 -21.663 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.704 -11.039 -23.243 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.114 -10.114 -22.722 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.821 -10.797 -24.303 1.00 0.00 C ATOM 527 CZ TYR A 63 1.525 -10.333 -24.042 1.00 0.00 C ATOM 528 OH TYR A 63 0.653 -10.091 -25.084 1.00 0.00 O ATOM 0 H TYR A 63 5.704 -12.881 -19.404 1.00 0.00 H new ATOM 0 HA TYR A 63 2.849 -12.047 -19.499 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.289 -10.213 -20.126 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.252 -11.242 -21.167 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.678 -10.186 -20.645 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.704 -11.395 -23.444 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.115 -9.758 -22.521 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.139 -10.968 -25.321 1.00 0.00 H new ATOM 0 HH TYR A 63 1.152 -10.058 -25.927 1.00 0.00 H new ATOM 538 N GLY A 64 2.340 -13.982 -20.972 1.00 0.00 N ATOM 539 CA GLY A 64 2.037 -15.133 -21.810 1.00 0.00 C ATOM 540 C GLY A 64 0.760 -15.817 -21.332 1.00 0.00 C ATOM 541 O GLY A 64 -0.237 -15.159 -21.043 1.00 0.00 O ATOM 0 H GLY A 64 1.551 -13.620 -20.436 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.921 -14.816 -22.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.867 -15.839 -21.783 1.00 0.00 H new ATOM 545 N ARG A 65 0.802 -17.144 -21.261 1.00 0.00 N ATOM 546 CA ARG A 65 -0.359 -17.910 -20.827 1.00 0.00 C ATOM 547 C ARG A 65 0.040 -19.265 -20.255 1.00 0.00 C ATOM 548 O ARG A 65 0.620 -20.105 -20.944 1.00 0.00 O ATOM 549 CB ARG A 65 -1.318 -18.110 -21.996 1.00 0.00 C ATOM 550 CG ARG A 65 -2.267 -19.264 -21.682 1.00 0.00 C ATOM 551 CD ARG A 65 -3.575 -19.066 -22.452 1.00 0.00 C ATOM 552 NE ARG A 65 -4.257 -17.870 -21.967 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.548 -17.879 -21.649 1.00 0.00 C ATOM 554 NH1 ARG A 65 -6.259 -18.963 -21.800 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.107 -16.796 -21.188 1.00 0.00 N ATOM 0 H ARG A 65 1.620 -17.706 -21.496 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.852 -17.343 -20.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.885 -17.197 -22.176 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.759 -18.322 -22.907 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.808 -20.213 -21.959 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.465 -19.306 -20.611 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.369 -18.972 -23.518 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.217 -19.938 -22.327 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.728 -17.003 -21.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.825 -19.811 -22.164 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.249 -18.962 -21.554 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.555 -15.946 -21.073 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.097 -16.798 -20.943 1.00 0.00 H new ATOM 569 N THR A 66 -0.291 -19.463 -18.981 1.00 0.00 N ATOM 570 CA THR A 66 0.009 -20.708 -18.290 1.00 0.00 C ATOM 571 C THR A 66 -1.267 -21.286 -17.695 1.00 0.00 C ATOM 572 O THR A 66 -1.239 -22.304 -17.005 1.00 0.00 O ATOM 573 CB THR A 66 1.011 -20.443 -17.167 1.00 0.00 C ATOM 574 OG1 THR A 66 0.360 -19.734 -16.118 1.00 0.00 O ATOM 575 CG2 THR A 66 2.166 -19.604 -17.713 1.00 0.00 C ATOM 0 H THR A 66 -0.770 -18.770 -18.406 1.00 0.00 H new ATOM 0 HA THR A 66 0.434 -21.417 -19.001 1.00 0.00 H new ATOM 0 HB THR A 66 1.397 -21.387 -16.783 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.150 -18.987 -16.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.884 -19.412 -16.916 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.658 -20.144 -18.522 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.781 -18.657 -18.091 1.00 0.00 H new ATOM 583 N ASP A 67 -2.385 -20.621 -17.968 1.00 0.00 N ATOM 584 CA ASP A 67 -3.677 -21.061 -17.462 1.00 0.00 C ATOM 585 C ASP A 67 -4.764 -20.736 -18.474 1.00 0.00 C ATOM 586 O ASP A 67 -4.623 -19.810 -19.274 1.00 0.00 O ATOM 587 CB ASP A 67 -3.986 -20.376 -16.128 1.00 0.00 C ATOM 588 CG ASP A 67 -5.182 -21.047 -15.466 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.801 -21.878 -16.113 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.464 -20.722 -14.324 1.00 0.00 O ATOM 0 H ASP A 67 -2.421 -19.775 -18.537 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.644 -22.139 -17.303 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.118 -20.431 -15.471 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.196 -19.319 -16.292 1.00 0.00 H new ATOM 595 N ASP A 68 -5.854 -21.492 -18.432 1.00 0.00 N ATOM 596 CA ASP A 68 -6.957 -21.257 -19.354 1.00 0.00 C ATOM 597 C ASP A 68 -8.192 -20.781 -18.607 1.00 0.00 C ATOM 598 O ASP A 68 -9.234 -20.543 -19.212 1.00 0.00 O ATOM 599 CB ASP A 68 -7.302 -22.542 -20.108 1.00 0.00 C ATOM 600 CG ASP A 68 -8.036 -23.519 -19.188 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.409 -23.121 -18.097 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.218 -24.653 -19.593 1.00 0.00 O ATOM 0 H ASP A 68 -5.997 -22.262 -17.779 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.643 -20.488 -20.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.924 -22.308 -20.972 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.391 -23.004 -20.487 1.00 0.00 H new ATOM 607 N LYS A 69 -8.086 -20.649 -17.289 1.00 0.00 N ATOM 608 CA LYS A 69 -9.231 -20.211 -16.509 1.00 0.00 C ATOM 609 C LYS A 69 -9.094 -18.742 -16.126 1.00 0.00 C ATOM 610 O LYS A 69 -9.894 -18.222 -15.350 1.00 0.00 O ATOM 611 CB LYS A 69 -9.392 -21.065 -15.245 1.00 0.00 C ATOM 612 CG LYS A 69 -9.474 -22.552 -15.624 1.00 0.00 C ATOM 613 CD LYS A 69 -9.969 -23.368 -14.423 1.00 0.00 C ATOM 614 CE LYS A 69 -9.868 -24.865 -14.736 1.00 0.00 C ATOM 615 NZ LYS A 69 -11.225 -25.404 -15.054 1.00 0.00 N ATOM 0 H LYS A 69 -7.239 -20.835 -16.751 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.120 -20.332 -17.128 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.550 -20.898 -14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.292 -20.768 -14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.150 -22.685 -16.469 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.494 -22.911 -15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.375 -23.131 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.001 -23.104 -14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.195 -25.026 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.445 -25.397 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.154 -26.420 -15.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.854 -25.264 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.612 -24.904 -15.880 1.00 0.00 H new ATOM 629 N ILE A 70 -8.085 -18.069 -16.676 1.00 0.00 N ATOM 630 CA ILE A 70 -7.869 -16.654 -16.388 1.00 0.00 C ATOM 631 C ILE A 70 -8.213 -15.831 -17.616 1.00 0.00 C ATOM 632 O ILE A 70 -7.829 -16.176 -18.733 1.00 0.00 O ATOM 633 CB ILE A 70 -6.404 -16.420 -16.010 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.026 -17.353 -14.859 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.195 -14.965 -15.581 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.867 -17.023 -13.621 1.00 0.00 C ATOM 0 H ILE A 70 -7.408 -18.479 -17.320 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.507 -16.354 -15.556 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.773 -16.626 -16.875 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.187 -18.390 -15.153 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.966 -17.248 -14.628 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.149 -14.811 -15.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.462 -14.301 -16.404 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.825 -14.746 -14.719 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.592 -17.692 -12.805 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.684 -15.991 -13.321 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.924 -17.151 -13.854 1.00 0.00 H new ATOM 648 N CYS A 71 -8.960 -14.759 -17.415 1.00 0.00 N ATOM 649 CA CYS A 71 -9.361 -13.931 -18.537 1.00 0.00 C ATOM 650 C CYS A 71 -9.938 -14.834 -19.620 1.00 0.00 C ATOM 651 O CYS A 71 -9.236 -15.239 -20.544 1.00 0.00 O ATOM 652 CB CYS A 71 -8.154 -13.160 -19.079 1.00 0.00 C ATOM 653 SG CYS A 71 -7.557 -12.016 -17.807 1.00 0.00 S ATOM 0 H CYS A 71 -9.295 -14.446 -16.504 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.112 -13.208 -18.218 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.362 -13.853 -19.362 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.433 -12.610 -19.978 1.00 0.00 H new ATOM 658 N ASP A 72 -11.215 -15.168 -19.473 1.00 0.00 N ATOM 659 CA ASP A 72 -11.890 -16.049 -20.418 1.00 0.00 C ATOM 660 C ASP A 72 -11.908 -15.460 -21.828 1.00 0.00 C ATOM 661 O ASP A 72 -12.668 -14.536 -22.120 1.00 0.00 O ATOM 662 CB ASP A 72 -13.318 -16.308 -19.936 1.00 0.00 C ATOM 663 CG ASP A 72 -14.035 -17.266 -20.881 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.392 -17.774 -21.784 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.220 -17.478 -20.682 1.00 0.00 O ATOM 0 H ASP A 72 -11.804 -14.841 -18.707 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.338 -16.988 -20.465 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.298 -16.727 -18.930 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.865 -15.367 -19.879 1.00 0.00 H new ATOM 670 N ALA A 73 -11.077 -16.024 -22.699 1.00 0.00 N ATOM 671 CA ALA A 73 -10.998 -15.585 -24.091 1.00 0.00 C ATOM 672 C ALA A 73 -11.528 -16.693 -24.997 1.00 0.00 C ATOM 673 O ALA A 73 -12.153 -17.637 -24.514 1.00 0.00 O ATOM 674 CB ALA A 73 -9.546 -15.267 -24.455 1.00 0.00 C ATOM 0 H ALA A 73 -10.445 -16.790 -22.465 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.600 -14.686 -24.224 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.494 -14.941 -25.494 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.174 -14.474 -23.806 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.934 -16.160 -24.325 1.00 0.00 H new ATOM 680 N ASP A 74 -11.280 -16.602 -26.303 1.00 0.00 N ATOM 681 CA ASP A 74 -11.754 -17.644 -27.205 1.00 0.00 C ATOM 682 C ASP A 74 -11.052 -18.965 -26.873 1.00 0.00 C ATOM 683 O ASP A 74 -9.865 -18.987 -26.547 1.00 0.00 O ATOM 684 CB ASP A 74 -11.518 -17.249 -28.669 1.00 0.00 C ATOM 685 CG ASP A 74 -10.238 -16.431 -28.815 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.691 -16.029 -27.802 1.00 0.00 O ATOM 687 OD2 ASP A 74 -9.827 -16.215 -29.942 1.00 0.00 O ATOM 0 H ASP A 74 -10.769 -15.840 -26.748 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.828 -17.770 -27.069 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.453 -18.146 -29.285 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.367 -16.671 -29.035 1.00 0.00 H new ATOM 692 N PRO A 75 -11.765 -20.056 -26.911 1.00 0.00 N ATOM 693 CA PRO A 75 -11.203 -21.390 -26.553 1.00 0.00 C ATOM 694 C PRO A 75 -9.927 -21.729 -27.316 1.00 0.00 C ATOM 695 O PRO A 75 -8.999 -22.307 -26.751 1.00 0.00 O ATOM 696 CB PRO A 75 -12.320 -22.382 -26.890 1.00 0.00 C ATOM 697 CG PRO A 75 -13.340 -21.616 -27.672 1.00 0.00 C ATOM 698 CD PRO A 75 -13.171 -20.146 -27.304 1.00 0.00 C ATOM 0 HA PRO A 75 -10.909 -21.417 -25.504 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.934 -23.220 -27.470 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.758 -22.798 -25.982 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.197 -21.765 -28.742 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.347 -21.960 -27.434 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.396 -19.492 -28.147 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.835 -19.856 -26.490 1.00 0.00 H new ATOM 706 N PHE A 76 -9.887 -21.375 -28.594 1.00 0.00 N ATOM 707 CA PHE A 76 -8.721 -21.665 -29.423 1.00 0.00 C ATOM 708 C PHE A 76 -7.492 -20.910 -28.939 1.00 0.00 C ATOM 709 O PHE A 76 -6.377 -21.430 -28.982 1.00 0.00 O ATOM 710 CB PHE A 76 -9.017 -21.286 -30.870 1.00 0.00 C ATOM 711 CG PHE A 76 -10.138 -22.154 -31.373 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.863 -23.429 -31.879 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.455 -21.688 -31.326 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.906 -24.240 -32.339 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.499 -22.497 -31.786 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.225 -23.774 -32.293 1.00 0.00 C ATOM 0 H PHE A 76 -10.642 -20.890 -29.078 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.512 -22.732 -29.352 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.294 -20.234 -30.937 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.128 -21.421 -31.486 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.845 -23.787 -31.915 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.666 -20.704 -30.935 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.694 -25.224 -32.729 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.517 -22.137 -31.750 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.031 -24.399 -32.648 1.00 0.00 H new ATOM 726 N GLN A 77 -7.692 -19.688 -28.468 1.00 0.00 N ATOM 727 CA GLN A 77 -6.576 -18.901 -27.978 1.00 0.00 C ATOM 728 C GLN A 77 -6.312 -19.241 -26.516 1.00 0.00 C ATOM 729 O GLN A 77 -5.328 -18.790 -25.927 1.00 0.00 O ATOM 730 CB GLN A 77 -6.875 -17.409 -28.145 1.00 0.00 C ATOM 731 CG GLN A 77 -7.092 -17.102 -29.632 1.00 0.00 C ATOM 732 CD GLN A 77 -7.091 -15.596 -29.867 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.090 -14.788 -28.849 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.093 -15.146 -31.013 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.601 -19.228 -28.416 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.683 -19.137 -28.556 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.761 -17.137 -27.572 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.049 -16.814 -27.755 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.306 -17.570 -30.225 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.039 -17.528 -29.964 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.094 -15.782 -31.811 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.094 -14.137 -31.165 1.00 0.00 H new ATOM 743 N MET A 78 -7.201 -20.050 -25.946 1.00 0.00 N ATOM 744 CA MET A 78 -7.070 -20.473 -24.557 1.00 0.00 C ATOM 745 C MET A 78 -6.610 -21.923 -24.464 1.00 0.00 C ATOM 746 O MET A 78 -6.382 -22.437 -23.369 1.00 0.00 O ATOM 747 CB MET A 78 -8.410 -20.337 -23.841 1.00 0.00 C ATOM 748 CG MET A 78 -8.769 -18.861 -23.718 1.00 0.00 C ATOM 749 SD MET A 78 -10.359 -18.693 -22.862 1.00 0.00 S ATOM 750 CE MET A 78 -9.849 -19.365 -21.259 1.00 0.00 C ATOM 0 H MET A 78 -8.019 -20.425 -26.425 1.00 0.00 H new ATOM 0 HA MET A 78 -6.325 -19.833 -24.085 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.186 -20.867 -24.394 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.355 -20.793 -22.853 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.991 -18.331 -23.169 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.827 -18.406 -24.707 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.649 -19.222 -20.533 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.638 -20.430 -21.361 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.952 -18.849 -20.917 1.00 0.00 H new ATOM 760 N GLU A 79 -6.500 -22.590 -25.610 1.00 0.00 N ATOM 761 CA GLU A 79 -6.094 -23.994 -25.610 1.00 0.00 C ATOM 762 C GLU A 79 -4.684 -24.180 -25.063 1.00 0.00 C ATOM 763 O GLU A 79 -4.455 -25.070 -24.245 1.00 0.00 O ATOM 764 CB GLU A 79 -6.133 -24.586 -27.028 1.00 0.00 C ATOM 765 CG GLU A 79 -7.561 -24.969 -27.420 1.00 0.00 C ATOM 766 CD GLU A 79 -7.530 -25.775 -28.714 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.533 -25.696 -29.410 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.499 -26.464 -28.988 1.00 0.00 O ATOM 0 H GLU A 79 -6.682 -22.193 -26.532 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.805 -24.512 -24.966 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.738 -23.861 -27.740 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.490 -25.465 -27.078 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.024 -25.554 -26.625 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.167 -24.073 -27.551 1.00 0.00 H new ATOM 775 N ASN A 80 -3.727 -23.378 -25.526 1.00 0.00 N ATOM 776 CA ASN A 80 -2.349 -23.536 -25.073 1.00 0.00 C ATOM 777 C ASN A 80 -2.098 -22.918 -23.705 1.00 0.00 C ATOM 778 O ASN A 80 -2.259 -21.715 -23.506 1.00 0.00 O ATOM 779 CB ASN A 80 -1.387 -22.905 -26.075 1.00 0.00 C ATOM 780 CG ASN A 80 0.045 -23.241 -25.676 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.383 -24.413 -25.511 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.911 -22.281 -25.500 1.00 0.00 N ATOM 0 H ASN A 80 -3.876 -22.628 -26.201 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.177 -24.609 -24.994 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.594 -23.276 -27.079 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.526 -21.824 -26.100 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.868 -22.502 -25.226 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.631 -21.310 -25.637 1.00 0.00 H new ATOM 789 N VAL A 81 -1.692 -23.770 -22.772 1.00 0.00 N ATOM 790 CA VAL A 81 -1.396 -23.333 -21.413 1.00 0.00 C ATOM 791 C VAL A 81 0.107 -23.376 -21.144 1.00 0.00 C ATOM 792 O VAL A 81 0.543 -23.647 -20.023 1.00 0.00 O ATOM 793 CB VAL A 81 -2.138 -24.212 -20.411 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.637 -24.136 -20.700 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.668 -25.663 -20.547 1.00 0.00 C ATOM 0 H VAL A 81 -1.560 -24.769 -22.932 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.732 -22.302 -21.300 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.935 -23.864 -19.398 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.177 -24.761 -19.989 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.974 -23.104 -20.605 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.831 -24.489 -21.713 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.201 -26.287 -19.829 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.871 -26.018 -21.557 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.597 -25.718 -20.351 1.00 0.00 H new ATOM 805 N GLN A 82 0.889 -23.104 -22.185 1.00 0.00 N ATOM 806 CA GLN A 82 2.345 -23.106 -22.070 1.00 0.00 C ATOM 807 C GLN A 82 2.956 -21.972 -22.894 1.00 0.00 C ATOM 808 O GLN A 82 3.405 -22.186 -24.020 1.00 0.00 O ATOM 809 CB GLN A 82 2.914 -24.445 -22.546 1.00 0.00 C ATOM 810 CG GLN A 82 2.515 -25.548 -21.564 1.00 0.00 C ATOM 811 CD GLN A 82 3.002 -25.205 -20.158 1.00 0.00 C ATOM 812 OE1 GLN A 82 2.170 -25.281 -19.156 1.00 0.00 O flip ATOM 813 NE2 GLN A 82 4.170 -24.862 -19.967 1.00 0.00 N flip ATOM 0 H GLN A 82 0.540 -22.880 -23.117 1.00 0.00 H new ATOM 0 HA GLN A 82 2.600 -22.957 -21.021 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.539 -24.678 -23.543 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.000 -24.385 -22.620 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.432 -25.669 -21.562 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.941 -26.500 -21.882 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.819 -24.803 -20.752 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.488 -24.637 -19.024 1.00 0.00 H new ATOM 822 N CYS A 83 2.992 -20.769 -22.325 1.00 0.00 N ATOM 823 CA CYS A 83 3.572 -19.617 -23.010 1.00 0.00 C ATOM 824 C CYS A 83 4.303 -18.755 -21.982 1.00 0.00 C ATOM 825 O CYS A 83 3.712 -18.344 -20.985 1.00 0.00 O ATOM 826 CB CYS A 83 2.470 -18.802 -23.694 1.00 0.00 C ATOM 827 SG CYS A 83 3.175 -17.293 -24.402 1.00 0.00 S ATOM 0 H CYS A 83 2.627 -20.567 -21.394 1.00 0.00 H new ATOM 0 HA CYS A 83 4.273 -19.955 -23.774 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.998 -19.396 -24.477 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.692 -18.548 -22.974 1.00 0.00 H new ATOM 832 N TYR A 84 5.592 -18.510 -22.203 1.00 0.00 N ATOM 833 CA TYR A 84 6.373 -17.726 -21.247 1.00 0.00 C ATOM 834 C TYR A 84 7.253 -16.678 -21.932 1.00 0.00 C ATOM 835 O TYR A 84 7.619 -16.820 -23.099 1.00 0.00 O ATOM 836 CB TYR A 84 7.253 -18.670 -20.429 1.00 0.00 C ATOM 837 CG TYR A 84 6.383 -19.597 -19.616 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.853 -20.758 -20.197 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.108 -19.299 -18.274 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.050 -21.617 -19.439 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.304 -20.161 -17.515 1.00 0.00 C ATOM 842 CZ TYR A 84 4.775 -21.320 -18.100 1.00 0.00 C ATOM 843 OH TYR A 84 3.984 -22.175 -17.360 1.00 0.00 O ATOM 0 H TYR A 84 6.111 -18.835 -23.019 1.00 0.00 H new ATOM 0 HA TYR A 84 5.672 -17.193 -20.604 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.898 -19.248 -21.091 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.905 -18.096 -19.770 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.065 -20.989 -21.230 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.516 -18.405 -17.825 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.642 -22.510 -19.888 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.092 -19.932 -16.481 1.00 0.00 H new ATOM 0 HH TYR A 84 3.890 -21.827 -16.449 1.00 0.00 H new ATOM 853 N LEU A 85 7.597 -15.632 -21.176 1.00 0.00 N ATOM 854 CA LEU A 85 8.454 -14.554 -21.671 1.00 0.00 C ATOM 855 C LEU A 85 9.291 -13.988 -20.525 1.00 0.00 C ATOM 856 O LEU A 85 8.871 -13.049 -19.848 1.00 0.00 O ATOM 857 CB LEU A 85 7.604 -13.438 -22.274 1.00 0.00 C ATOM 858 CG LEU A 85 8.516 -12.323 -22.788 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.320 -12.830 -23.984 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.662 -11.131 -23.225 1.00 0.00 C ATOM 0 H LEU A 85 7.291 -15.510 -20.211 1.00 0.00 H new ATOM 0 HA LEU A 85 9.113 -14.958 -22.440 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.996 -13.830 -23.089 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.917 -13.044 -21.525 1.00 0.00 H new ATOM 0 HG LEU A 85 9.197 -12.017 -21.994 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.969 -12.035 -24.349 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.927 -13.683 -23.679 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.638 -13.135 -24.778 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.309 -10.335 -23.592 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.983 -11.442 -24.019 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.084 -10.767 -22.376 1.00 0.00 H new ATOM 872 N PRO A 86 10.447 -14.547 -20.280 1.00 0.00 N ATOM 873 CA PRO A 86 11.345 -14.098 -19.172 1.00 0.00 C ATOM 874 C PRO A 86 11.509 -12.580 -19.109 1.00 0.00 C ATOM 875 O PRO A 86 11.423 -11.980 -18.037 1.00 0.00 O ATOM 876 CB PRO A 86 12.685 -14.764 -19.501 1.00 0.00 C ATOM 877 CG PRO A 86 12.344 -15.971 -20.310 1.00 0.00 C ATOM 878 CD PRO A 86 11.027 -15.670 -21.033 1.00 0.00 C ATOM 0 HA PRO A 86 10.939 -14.373 -18.199 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.332 -14.088 -20.059 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.220 -15.039 -18.592 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.135 -16.191 -21.026 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.241 -16.847 -19.670 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.198 -15.403 -22.076 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.365 -16.536 -21.030 1.00 0.00 H new ATOM 886 N ASP A 87 11.788 -11.975 -20.256 1.00 0.00 N ATOM 887 CA ASP A 87 12.015 -10.532 -20.334 1.00 0.00 C ATOM 888 C ASP A 87 10.829 -9.725 -19.803 1.00 0.00 C ATOM 889 O ASP A 87 10.989 -8.565 -19.431 1.00 0.00 O ATOM 890 CB ASP A 87 12.274 -10.144 -21.790 1.00 0.00 C ATOM 891 CG ASP A 87 13.586 -10.761 -22.267 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.293 -11.319 -21.443 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.862 -10.672 -23.453 1.00 0.00 O ATOM 0 H ASP A 87 11.863 -12.460 -21.150 1.00 0.00 H new ATOM 0 HA ASP A 87 12.877 -10.300 -19.709 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.452 -10.486 -22.418 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.317 -9.059 -21.884 1.00 0.00 H new ATOM 898 N ALA A 88 9.648 -10.325 -19.773 1.00 0.00 N ATOM 899 CA ALA A 88 8.469 -9.617 -19.278 1.00 0.00 C ATOM 900 C ALA A 88 8.710 -9.112 -17.858 1.00 0.00 C ATOM 901 O ALA A 88 8.253 -8.026 -17.483 1.00 0.00 O ATOM 902 CB ALA A 88 7.254 -10.544 -19.287 1.00 0.00 C ATOM 0 H ALA A 88 9.478 -11.283 -20.079 1.00 0.00 H new ATOM 0 HA ALA A 88 8.279 -8.767 -19.933 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.382 -10.005 -18.916 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.064 -10.885 -20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.448 -11.404 -18.647 1.00 0.00 H new ATOM 908 N PHE A 89 9.452 -9.896 -17.084 1.00 0.00 N ATOM 909 CA PHE A 89 9.782 -9.536 -15.712 1.00 0.00 C ATOM 910 C PHE A 89 10.664 -8.288 -15.640 1.00 0.00 C ATOM 911 O PHE A 89 10.433 -7.398 -14.820 1.00 0.00 O ATOM 912 CB PHE A 89 10.503 -10.707 -15.047 1.00 0.00 C ATOM 913 CG PHE A 89 11.094 -10.243 -13.744 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.271 -10.066 -12.627 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.465 -9.974 -13.659 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.819 -9.621 -11.424 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.012 -9.527 -12.453 1.00 0.00 C ATOM 918 CZ PHE A 89 12.189 -9.351 -11.335 1.00 0.00 C ATOM 0 H PHE A 89 9.838 -10.790 -17.387 1.00 0.00 H new ATOM 0 HA PHE A 89 8.851 -9.312 -15.191 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.807 -11.528 -14.873 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.287 -11.087 -15.702 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.213 -10.273 -12.696 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.098 -10.111 -14.523 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.185 -9.485 -10.560 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.069 -9.318 -12.384 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.612 -9.006 -10.403 1.00 0.00 H new ATOM 928 N LYS A 90 11.682 -8.237 -16.489 1.00 0.00 N ATOM 929 CA LYS A 90 12.596 -7.103 -16.490 1.00 0.00 C ATOM 930 C LYS A 90 11.888 -5.821 -16.928 1.00 0.00 C ATOM 931 O LYS A 90 12.188 -4.741 -16.418 1.00 0.00 O ATOM 932 CB LYS A 90 13.814 -7.399 -17.379 1.00 0.00 C ATOM 933 CG LYS A 90 13.489 -7.183 -18.863 1.00 0.00 C ATOM 934 CD LYS A 90 14.262 -5.974 -19.404 1.00 0.00 C ATOM 935 CE LYS A 90 15.773 -6.198 -19.254 1.00 0.00 C ATOM 936 NZ LYS A 90 16.072 -7.656 -19.282 1.00 0.00 N ATOM 0 H LYS A 90 11.894 -8.958 -17.178 1.00 0.00 H new ATOM 0 HA LYS A 90 12.948 -6.947 -15.470 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.644 -6.754 -17.089 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.140 -8.427 -17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.749 -8.075 -19.433 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.418 -7.025 -18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.013 -5.815 -20.453 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.966 -5.074 -18.866 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.306 -5.693 -20.059 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.123 -5.764 -18.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.074 -7.800 -19.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.875 -8.069 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.476 -8.119 -19.998 1.00 0.00 H new ATOM 950 N ILE A 91 10.955 -5.938 -17.868 1.00 0.00 N ATOM 951 CA ILE A 91 10.225 -4.771 -18.355 1.00 0.00 C ATOM 952 C ILE A 91 9.421 -4.107 -17.243 1.00 0.00 C ATOM 953 O ILE A 91 9.490 -2.891 -17.059 1.00 0.00 O ATOM 954 CB ILE A 91 9.270 -5.160 -19.490 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.066 -5.736 -20.667 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.504 -3.916 -19.952 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.102 -6.192 -21.769 1.00 0.00 C ATOM 0 H ILE A 91 10.688 -6.820 -18.305 1.00 0.00 H new ATOM 0 HA ILE A 91 10.969 -4.065 -18.724 1.00 0.00 H new ATOM 0 HB ILE A 91 8.569 -5.913 -19.131 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.751 -4.984 -21.058 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.673 -6.576 -20.331 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.823 -4.187 -20.759 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.933 -3.509 -19.117 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.210 -3.166 -20.309 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.671 -6.601 -22.604 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.435 -6.959 -21.375 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.514 -5.341 -22.113 1.00 0.00 H new ATOM 969 N MET A 92 8.643 -4.902 -16.515 1.00 0.00 N ATOM 970 CA MET A 92 7.822 -4.354 -15.449 1.00 0.00 C ATOM 971 C MET A 92 8.671 -3.920 -14.266 1.00 0.00 C ATOM 972 O MET A 92 8.353 -2.939 -13.597 1.00 0.00 O ATOM 973 CB MET A 92 6.786 -5.378 -15.004 1.00 0.00 C ATOM 974 CG MET A 92 5.844 -5.661 -16.173 1.00 0.00 C ATOM 975 SD MET A 92 4.313 -6.391 -15.551 1.00 0.00 S ATOM 976 CE MET A 92 3.628 -4.882 -14.819 1.00 0.00 C ATOM 0 H MET A 92 8.566 -5.911 -16.643 1.00 0.00 H new ATOM 0 HA MET A 92 7.310 -3.473 -15.838 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.277 -6.297 -14.683 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.225 -5.001 -14.149 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.627 -4.738 -16.711 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.320 -6.338 -16.882 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.540 -4.946 -14.804 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.999 -4.771 -13.800 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.932 -4.019 -15.412 1.00 0.00 H new ATOM 986 N SER A 93 9.751 -4.646 -14.011 1.00 0.00 N ATOM 987 CA SER A 93 10.622 -4.302 -12.901 1.00 0.00 C ATOM 988 C SER A 93 11.182 -2.896 -13.076 1.00 0.00 C ATOM 989 O SER A 93 11.159 -2.095 -12.151 1.00 0.00 O ATOM 990 CB SER A 93 11.770 -5.300 -12.811 1.00 0.00 C ATOM 991 OG SER A 93 11.251 -6.593 -12.542 1.00 0.00 O ATOM 0 H SER A 93 10.040 -5.463 -14.549 1.00 0.00 H new ATOM 0 HA SER A 93 10.038 -4.337 -11.982 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.333 -5.309 -13.745 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.463 -5.003 -12.024 1.00 0.00 H new ATOM 0 HG SER A 93 10.674 -6.875 -13.283 1.00 0.00 H new ATOM 997 N GLN A 94 11.658 -2.586 -14.272 1.00 0.00 N ATOM 998 CA GLN A 94 12.186 -1.256 -14.531 1.00 0.00 C ATOM 999 C GLN A 94 11.072 -0.207 -14.462 1.00 0.00 C ATOM 1000 O GLN A 94 11.288 0.926 -14.028 1.00 0.00 O ATOM 1001 CB GLN A 94 12.888 -1.219 -15.894 1.00 0.00 C ATOM 1002 CG GLN A 94 14.283 -1.849 -15.766 1.00 0.00 C ATOM 1003 CD GLN A 94 14.188 -3.371 -15.824 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.240 -3.972 -16.977 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 14.073 -4.031 -14.790 1.00 0.00 N flip ATOM 0 H GLN A 94 11.690 -3.225 -15.066 1.00 0.00 H new ATOM 0 HA GLN A 94 12.919 -1.018 -13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.299 -1.761 -16.634 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.972 -0.190 -16.244 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.927 -1.488 -16.568 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.742 -1.543 -14.826 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.032 -3.560 -13.886 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.019 -5.048 -14.838 1.00 0.00 H new ATOM 1014 N ARG A 95 9.883 -0.599 -14.908 1.00 0.00 N ATOM 1015 CA ARG A 95 8.724 0.295 -14.925 1.00 0.00 C ATOM 1016 C ARG A 95 8.078 0.498 -13.553 1.00 0.00 C ATOM 1017 O ARG A 95 7.537 1.570 -13.284 1.00 0.00 O ATOM 1018 CB ARG A 95 7.671 -0.266 -15.878 1.00 0.00 C ATOM 1019 CG ARG A 95 8.183 -0.168 -17.314 1.00 0.00 C ATOM 1020 CD ARG A 95 7.146 -0.754 -18.271 1.00 0.00 C ATOM 1021 NE ARG A 95 6.062 0.196 -18.502 1.00 0.00 N ATOM 1022 CZ ARG A 95 5.387 0.186 -19.648 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.734 -0.646 -20.592 1.00 0.00 N ATOM 1024 NH2 ARG A 95 4.384 1.002 -19.835 1.00 0.00 N ATOM 0 H ARG A 95 9.693 -1.535 -15.265 1.00 0.00 H new ATOM 0 HA ARG A 95 9.092 1.267 -15.252 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.454 -1.304 -15.628 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.738 0.288 -15.774 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.381 0.873 -17.570 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.127 -0.705 -17.411 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.621 -1.009 -19.218 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.744 -1.679 -17.857 1.00 0.00 H new ATOM 0 HE ARG A 95 5.820 0.873 -17.779 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.518 -1.283 -20.448 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.221 -0.660 -21.474 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.113 1.654 -19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.872 0.987 -20.717 1.00 0.00 H new ATOM 1038 N CYS A 96 8.078 -0.530 -12.708 1.00 0.00 N ATOM 1039 CA CYS A 96 7.420 -0.409 -11.406 1.00 0.00 C ATOM 1040 C CYS A 96 8.388 -0.448 -10.218 1.00 0.00 C ATOM 1041 O CYS A 96 7.983 -0.178 -9.087 1.00 0.00 O ATOM 1042 CB CYS A 96 6.381 -1.521 -11.260 1.00 0.00 C ATOM 1043 SG CYS A 96 5.359 -1.582 -12.754 1.00 0.00 S ATOM 0 H CYS A 96 8.513 -1.434 -12.892 1.00 0.00 H new ATOM 0 HA CYS A 96 6.948 0.573 -11.384 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.876 -2.479 -11.104 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.757 -1.339 -10.385 1.00 0.00 H new ATOM 1048 N ASN A 97 9.654 -0.786 -10.451 1.00 0.00 N ATOM 1049 CA ASN A 97 10.617 -0.838 -9.350 1.00 0.00 C ATOM 1050 C ASN A 97 10.811 0.542 -8.727 1.00 0.00 C ATOM 1051 O ASN A 97 11.029 1.525 -9.434 1.00 0.00 O ATOM 1052 CB ASN A 97 11.981 -1.336 -9.835 1.00 0.00 C ATOM 1053 CG ASN A 97 11.978 -2.853 -10.015 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.856 -3.513 -9.962 1.00 0.00 O flip ATOM 1055 ND2 ASN A 97 13.034 -3.453 -10.210 1.00 0.00 N flip ATOM 0 H ASN A 97 10.032 -1.023 -11.368 1.00 0.00 H new ATOM 0 HA ASN A 97 10.213 -1.527 -8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.233 -0.855 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.751 -1.053 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.913 -2.938 -10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.030 -4.466 -10.330 1.00 0.00 H new ATOM 1062 N ASN A 98 10.760 0.597 -7.400 1.00 0.00 N ATOM 1063 CA ASN A 98 10.962 1.847 -6.668 1.00 0.00 C ATOM 1064 C ASN A 98 9.853 2.875 -6.932 1.00 0.00 C ATOM 1065 O ASN A 98 9.998 4.041 -6.563 1.00 0.00 O ATOM 1066 CB ASN A 98 12.332 2.460 -7.011 1.00 0.00 C ATOM 1067 CG ASN A 98 13.468 1.661 -6.358 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.242 0.600 -5.775 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.688 2.195 -6.452 1.00 0.00 N ATOM 0 H ASN A 98 10.580 -0.212 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 98 10.927 1.595 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.468 2.475 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.367 3.495 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.486 1.721 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.822 3.077 -6.946 1.00 0.00 H new ATOM 1075 N ARG A 99 8.741 2.459 -7.538 1.00 0.00 N ATOM 1076 CA ARG A 99 7.645 3.397 -7.786 1.00 0.00 C ATOM 1077 C ARG A 99 6.447 3.047 -6.923 1.00 0.00 C ATOM 1078 O ARG A 99 6.168 1.875 -6.673 1.00 0.00 O ATOM 1079 CB ARG A 99 7.213 3.388 -9.257 1.00 0.00 C ATOM 1080 CG ARG A 99 8.307 4.020 -10.116 1.00 0.00 C ATOM 1081 CD ARG A 99 7.833 4.095 -11.573 1.00 0.00 C ATOM 1082 NE ARG A 99 8.227 5.367 -12.169 1.00 0.00 N ATOM 1083 CZ ARG A 99 9.504 5.654 -12.395 1.00 0.00 C ATOM 1084 NH1 ARG A 99 10.429 4.778 -12.105 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.832 6.809 -12.911 1.00 0.00 N ATOM 0 H ARG A 99 8.576 1.505 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 99 8.011 4.393 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.024 2.366 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.280 3.938 -9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.543 5.018 -9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.222 3.431 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.260 3.270 -12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.749 3.986 -11.616 1.00 0.00 H new ATOM 0 HE ARG A 99 7.509 6.048 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.170 3.876 -11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.410 4.996 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.108 7.490 -13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.812 7.030 -13.085 1.00 0.00 H new ATOM 1099 N THR A 100 5.741 4.072 -6.476 1.00 0.00 N ATOM 1100 CA THR A 100 4.566 3.866 -5.644 1.00 0.00 C ATOM 1101 C THR A 100 3.419 3.302 -6.488 1.00 0.00 C ATOM 1102 O THR A 100 2.588 2.538 -5.997 1.00 0.00 O ATOM 1103 CB THR A 100 4.161 5.190 -4.991 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.271 5.712 -4.274 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.997 4.961 -4.025 1.00 0.00 C ATOM 0 H THR A 100 5.958 5.049 -6.673 1.00 0.00 H new ATOM 0 HA THR A 100 4.798 3.146 -4.859 1.00 0.00 H new ATOM 0 HB THR A 100 3.851 5.894 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.019 6.561 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.715 5.908 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.145 4.555 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.300 4.257 -3.250 1.00 0.00 H new ATOM 1113 N GLN A 101 3.404 3.674 -7.770 1.00 0.00 N ATOM 1114 CA GLN A 101 2.376 3.192 -8.699 1.00 0.00 C ATOM 1115 C GLN A 101 2.943 3.099 -10.117 1.00 0.00 C ATOM 1116 O GLN A 101 3.872 3.828 -10.469 1.00 0.00 O ATOM 1117 CB GLN A 101 1.156 4.123 -8.687 1.00 0.00 C ATOM 1118 CG GLN A 101 1.559 5.519 -9.164 1.00 0.00 C ATOM 1119 CD GLN A 101 0.484 6.090 -10.087 1.00 0.00 C ATOM 1120 OE1 GLN A 101 0.010 7.206 -9.874 1.00 0.00 O ATOM 1121 NE2 GLN A 101 0.070 5.388 -11.107 1.00 0.00 N ATOM 0 H GLN A 101 4.088 4.304 -8.188 1.00 0.00 H new ATOM 0 HA GLN A 101 2.062 2.200 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.375 3.721 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.741 4.179 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.701 6.178 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.513 5.471 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.463 4.463 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.647 5.764 -11.728 1.00 0.00 H new ATOM 1130 N CYS A 102 2.388 2.195 -10.929 1.00 0.00 N ATOM 1131 CA CYS A 102 2.872 2.030 -12.300 1.00 0.00 C ATOM 1132 C CYS A 102 1.806 1.408 -13.217 1.00 0.00 C ATOM 1133 O CYS A 102 1.199 0.394 -12.874 1.00 0.00 O ATOM 1134 CB CYS A 102 4.131 1.154 -12.291 1.00 0.00 C ATOM 1135 SG CYS A 102 3.666 -0.596 -12.247 1.00 0.00 S ATOM 0 H CYS A 102 1.619 1.578 -10.667 1.00 0.00 H new ATOM 0 HA CYS A 102 3.105 3.018 -12.697 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.732 1.357 -13.177 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.747 1.397 -11.425 1.00 0.00 H new ATOM 1140 N VAL A 103 1.597 2.018 -14.391 1.00 0.00 N ATOM 1141 CA VAL A 103 0.613 1.501 -15.353 1.00 0.00 C ATOM 1142 C VAL A 103 1.299 1.068 -16.653 1.00 0.00 C ATOM 1143 O VAL A 103 2.145 1.787 -17.187 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.435 2.567 -15.672 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.413 2.030 -16.721 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.204 2.919 -14.401 1.00 0.00 C ATOM 0 H VAL A 103 2.088 2.859 -14.696 1.00 0.00 H new ATOM 0 HA VAL A 103 0.127 0.637 -14.899 1.00 0.00 H new ATOM 0 HB VAL A 103 0.062 3.456 -16.060 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.159 2.792 -16.947 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.868 1.775 -17.630 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.909 1.140 -16.334 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.952 3.679 -14.627 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.698 2.027 -14.016 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.512 3.302 -13.651 1.00 0.00 H new ATOM 1156 N VAL A 104 0.930 -0.115 -17.150 1.00 0.00 N ATOM 1157 CA VAL A 104 1.520 -0.640 -18.382 1.00 0.00 C ATOM 1158 C VAL A 104 0.496 -1.403 -19.221 1.00 0.00 C ATOM 1159 O VAL A 104 -0.436 -2.008 -18.691 1.00 0.00 O ATOM 1160 CB VAL A 104 2.677 -1.577 -18.042 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.311 -2.099 -19.334 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.715 -0.804 -17.227 1.00 0.00 C ATOM 0 H VAL A 104 0.231 -0.723 -16.722 1.00 0.00 H new ATOM 0 HA VAL A 104 1.876 0.211 -18.963 1.00 0.00 H new ATOM 0 HB VAL A 104 2.312 -2.424 -17.461 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.137 -2.768 -19.090 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.564 -2.642 -19.913 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.685 -1.260 -19.921 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.547 -1.463 -16.978 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.083 0.039 -17.812 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.256 -0.436 -16.309 1.00 0.00 H new ATOM 1172 N VAL A 105 0.695 -1.386 -20.535 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.198 -2.105 -21.433 1.00 0.00 C ATOM 1174 C VAL A 105 0.208 -3.572 -21.484 1.00 0.00 C ATOM 1175 O VAL A 105 1.322 -3.892 -21.892 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.131 -1.515 -22.843 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.207 -2.161 -23.715 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.373 -0.010 -22.782 1.00 0.00 C ATOM 0 H VAL A 105 1.457 -0.889 -20.996 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.218 -2.012 -21.059 1.00 0.00 H new ATOM 0 HB VAL A 105 0.854 -1.709 -23.268 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.161 -1.742 -24.720 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.039 -3.237 -23.762 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.189 -1.966 -23.285 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.325 0.407 -23.788 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.357 0.183 -22.356 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.390 0.456 -22.159 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.683 -4.461 -21.049 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.371 -5.888 -21.038 1.00 0.00 C ATOM 1190 C ALA A 106 -0.318 -6.467 -22.450 1.00 0.00 C ATOM 1191 O ALA A 106 -0.785 -7.583 -22.682 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.411 -6.656 -20.215 1.00 0.00 C ATOM 0 H ALA A 106 -1.613 -4.223 -20.704 1.00 0.00 H new ATOM 0 HA ALA A 106 0.614 -5.999 -20.584 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.164 -7.718 -20.217 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.410 -6.285 -19.190 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.399 -6.512 -20.652 1.00 0.00 H new ATOM 1198 N GLY A 107 0.250 -5.717 -23.396 1.00 0.00 N ATOM 1199 CA GLY A 107 0.353 -6.203 -24.773 1.00 0.00 C ATOM 1200 C GLY A 107 1.037 -5.186 -25.686 1.00 0.00 C ATOM 1201 O GLY A 107 2.186 -4.804 -25.461 1.00 0.00 O ATOM 0 H GLY A 107 0.639 -4.787 -23.239 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.913 -7.138 -24.787 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.644 -6.422 -25.156 1.00 0.00 H new ATOM 1205 N SER A 108 0.312 -4.761 -26.718 1.00 0.00 N ATOM 1206 CA SER A 108 0.828 -3.790 -27.685 1.00 0.00 C ATOM 1207 C SER A 108 2.350 -3.869 -27.800 1.00 0.00 C ATOM 1208 O SER A 108 2.955 -4.897 -27.495 1.00 0.00 O ATOM 1209 CB SER A 108 0.411 -2.376 -27.270 1.00 0.00 C ATOM 1210 OG SER A 108 0.226 -1.580 -28.433 1.00 0.00 O ATOM 0 H SER A 108 -0.640 -5.075 -26.908 1.00 0.00 H new ATOM 0 HA SER A 108 0.405 -4.028 -28.661 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.511 -2.412 -26.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.174 -1.933 -26.630 1.00 0.00 H new ATOM 0 HG SER A 108 -0.043 -0.675 -28.171 1.00 0.00 H new ATOM 1216 N ASP A 109 2.965 -2.782 -28.264 1.00 0.00 N ATOM 1217 CA ASP A 109 4.415 -2.750 -28.435 1.00 0.00 C ATOM 1218 C ASP A 109 5.129 -2.764 -27.083 1.00 0.00 C ATOM 1219 O ASP A 109 6.360 -2.760 -27.024 1.00 0.00 O ATOM 1220 CB ASP A 109 4.832 -1.513 -29.238 1.00 0.00 C ATOM 1221 CG ASP A 109 4.407 -1.672 -30.696 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.978 -2.757 -31.053 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.522 -0.709 -31.434 1.00 0.00 O ATOM 0 H ASP A 109 2.487 -1.920 -28.526 1.00 0.00 H new ATOM 0 HA ASP A 109 4.708 -3.644 -28.985 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.374 -0.621 -28.812 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.912 -1.377 -29.178 1.00 0.00 H new ATOM 1228 N ALA A 110 4.360 -2.780 -25.998 1.00 0.00 N ATOM 1229 CA ALA A 110 4.952 -2.793 -24.666 1.00 0.00 C ATOM 1230 C ALA A 110 5.333 -4.216 -24.269 1.00 0.00 C ATOM 1231 O ALA A 110 6.130 -4.421 -23.353 1.00 0.00 O ATOM 1232 CB ALA A 110 3.968 -2.220 -23.648 1.00 0.00 C ATOM 0 H ALA A 110 3.340 -2.784 -26.014 1.00 0.00 H new ATOM 0 HA ALA A 110 5.851 -2.177 -24.681 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.421 -2.235 -22.656 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.721 -1.194 -23.919 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.060 -2.822 -23.641 1.00 0.00 H new ATOM 1238 N PHE A 111 4.788 -5.196 -24.985 1.00 0.00 N ATOM 1239 CA PHE A 111 5.110 -6.590 -24.713 1.00 0.00 C ATOM 1240 C PHE A 111 5.272 -7.375 -26.014 1.00 0.00 C ATOM 1241 O PHE A 111 4.400 -7.328 -26.884 1.00 0.00 O ATOM 1242 CB PHE A 111 4.020 -7.246 -23.874 1.00 0.00 C ATOM 1243 CG PHE A 111 4.153 -6.787 -22.452 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.290 -7.123 -21.714 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.144 -6.019 -21.876 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.416 -6.688 -20.392 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.265 -5.580 -20.553 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.404 -5.915 -19.809 1.00 0.00 C ATOM 0 H PHE A 111 4.129 -5.051 -25.750 1.00 0.00 H new ATOM 0 HA PHE A 111 6.050 -6.605 -24.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.036 -6.984 -24.264 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.105 -8.331 -23.929 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.071 -7.718 -22.164 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.267 -5.762 -22.451 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.294 -6.948 -19.820 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.482 -4.984 -20.106 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.501 -5.578 -18.788 1.00 0.00 H new ATOM 1258 N PRO A 112 6.345 -8.110 -26.158 1.00 0.00 N ATOM 1259 CA PRO A 112 6.587 -8.933 -27.375 1.00 0.00 C ATOM 1260 C PRO A 112 5.401 -9.841 -27.670 1.00 0.00 C ATOM 1261 O PRO A 112 4.259 -9.509 -27.360 1.00 0.00 O ATOM 1262 CB PRO A 112 7.812 -9.779 -27.023 1.00 0.00 C ATOM 1263 CG PRO A 112 8.485 -9.092 -25.883 1.00 0.00 C ATOM 1264 CD PRO A 112 7.441 -8.233 -25.183 1.00 0.00 C ATOM 0 HA PRO A 112 6.733 -8.314 -28.260 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.518 -10.792 -26.747 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.484 -9.863 -27.877 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.907 -9.821 -25.192 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.311 -8.476 -26.240 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.099 -8.699 -24.259 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.845 -7.257 -24.916 1.00 0.00 H new ATOM 1272 N ASP A 113 5.691 -10.994 -28.259 1.00 0.00 N ATOM 1273 CA ASP A 113 4.660 -11.966 -28.585 1.00 0.00 C ATOM 1274 C ASP A 113 5.228 -13.377 -28.417 1.00 0.00 C ATOM 1275 O ASP A 113 5.681 -13.986 -29.385 1.00 0.00 O ATOM 1276 CB ASP A 113 4.189 -11.760 -30.029 1.00 0.00 C ATOM 1277 CG ASP A 113 2.858 -12.469 -30.252 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.634 -13.479 -29.607 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.085 -11.991 -31.064 1.00 0.00 O ATOM 0 H ASP A 113 6.635 -11.278 -28.521 1.00 0.00 H new ATOM 0 HA ASP A 113 3.810 -11.835 -27.916 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.082 -10.695 -30.236 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.936 -12.146 -30.722 1.00 0.00 H new ATOM 1284 N PRO A 114 5.243 -13.889 -27.204 1.00 0.00 N ATOM 1285 CA PRO A 114 5.811 -15.242 -26.903 1.00 0.00 C ATOM 1286 C PRO A 114 4.938 -16.396 -27.393 1.00 0.00 C ATOM 1287 O PRO A 114 5.338 -17.558 -27.314 1.00 0.00 O ATOM 1288 CB PRO A 114 5.909 -15.251 -25.379 1.00 0.00 C ATOM 1289 CG PRO A 114 4.831 -14.333 -24.920 1.00 0.00 C ATOM 1290 CD PRO A 114 4.725 -13.240 -25.983 1.00 0.00 C ATOM 0 HA PRO A 114 6.762 -15.394 -27.414 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.769 -16.256 -24.980 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.888 -14.909 -25.044 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.886 -14.865 -24.812 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.070 -13.907 -23.946 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.696 -12.906 -26.113 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.314 -12.362 -25.715 1.00 0.00 H new ATOM 1298 N CYS A 115 3.757 -16.079 -27.898 1.00 0.00 N ATOM 1299 CA CYS A 115 2.856 -17.116 -28.393 1.00 0.00 C ATOM 1300 C CYS A 115 1.721 -16.502 -29.208 1.00 0.00 C ATOM 1301 O CYS A 115 0.556 -16.516 -28.801 1.00 0.00 O ATOM 1302 CB CYS A 115 2.282 -17.912 -27.222 1.00 0.00 C ATOM 1303 SG CYS A 115 1.880 -16.782 -25.867 1.00 0.00 S ATOM 0 H CYS A 115 3.400 -15.127 -27.977 1.00 0.00 H new ATOM 0 HA CYS A 115 3.424 -17.785 -29.039 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.389 -18.451 -27.538 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.003 -18.658 -26.887 1.00 0.00 H new ATOM 1308 N PRO A 116 2.043 -15.968 -30.351 1.00 0.00 N ATOM 1309 CA PRO A 116 1.037 -15.340 -31.243 1.00 0.00 C ATOM 1310 C PRO A 116 -0.127 -16.286 -31.513 1.00 0.00 C ATOM 1311 O PRO A 116 0.050 -17.503 -31.545 1.00 0.00 O ATOM 1312 CB PRO A 116 1.804 -15.036 -32.534 1.00 0.00 C ATOM 1313 CG PRO A 116 3.253 -15.053 -32.169 1.00 0.00 C ATOM 1314 CD PRO A 116 3.398 -15.912 -30.911 1.00 0.00 C ATOM 0 HA PRO A 116 0.598 -14.446 -30.800 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.587 -15.780 -33.301 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.516 -14.066 -32.939 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.849 -15.463 -32.984 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.615 -14.041 -31.987 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.771 -16.908 -31.150 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.102 -15.469 -30.206 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.309 -15.724 -31.716 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.488 -16.534 -31.992 1.00 0.00 C ATOM 1324 C GLY A 117 -3.079 -17.121 -30.716 1.00 0.00 C ATOM 1325 O GLY A 117 -4.092 -17.816 -30.765 1.00 0.00 O ATOM 0 H GLY A 117 -1.478 -14.718 -31.695 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.239 -15.924 -32.494 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.224 -17.341 -32.675 1.00 0.00 H new ATOM 1329 N THR A 118 -2.460 -16.836 -29.572 1.00 0.00 N ATOM 1330 CA THR A 118 -2.968 -17.345 -28.302 1.00 0.00 C ATOM 1331 C THR A 118 -3.345 -16.178 -27.400 1.00 0.00 C ATOM 1332 O THR A 118 -2.730 -15.113 -27.473 1.00 0.00 O ATOM 1333 CB THR A 118 -1.919 -18.220 -27.609 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.493 -19.245 -28.500 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.540 -18.855 -26.365 1.00 0.00 C ATOM 0 H THR A 118 -1.619 -16.264 -29.499 1.00 0.00 H new ATOM 0 HA THR A 118 -3.849 -17.956 -28.498 1.00 0.00 H new ATOM 0 HB THR A 118 -1.062 -17.610 -27.323 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.821 -19.804 -28.058 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.799 -19.479 -25.867 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.872 -18.072 -25.684 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.393 -19.467 -26.657 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.352 -16.363 -26.546 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.764 -15.287 -25.657 1.00 0.00 C ATOM 1345 C TYR A 119 -3.916 -15.314 -24.396 1.00 0.00 C ATOM 1346 O TYR A 119 -3.966 -16.261 -23.610 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.246 -15.390 -25.302 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.665 -14.093 -24.662 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -7.063 -13.018 -25.463 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.640 -13.958 -23.273 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.433 -11.807 -24.874 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.013 -12.746 -22.681 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.409 -11.671 -23.481 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.769 -10.476 -22.898 1.00 0.00 O ATOM 0 H TYR A 119 -4.884 -17.228 -26.454 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.616 -14.340 -26.175 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.839 -15.582 -26.196 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.417 -16.223 -24.621 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.084 -13.124 -26.538 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.333 -14.789 -22.655 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.737 -10.976 -25.493 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.995 -12.642 -21.606 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.143 -9.775 -23.175 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.087 -14.290 -24.264 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.149 -14.191 -23.158 1.00 0.00 C ATOM 1366 C LYS A 120 -2.696 -13.436 -21.945 1.00 0.00 C ATOM 1367 O LYS A 120 -3.888 -13.154 -21.808 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.892 -13.464 -23.660 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.427 -14.097 -24.971 1.00 0.00 C ATOM 1370 CD LYS A 120 0.814 -13.364 -25.482 1.00 0.00 C ATOM 1371 CE LYS A 120 1.183 -13.895 -26.868 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.159 -12.776 -27.854 1.00 0.00 N ATOM 0 H LYS A 120 -3.046 -13.508 -24.917 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.940 -15.207 -22.825 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.107 -12.406 -23.811 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.101 -13.526 -22.913 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.201 -15.152 -24.817 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.223 -14.047 -25.714 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.623 -12.292 -25.530 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.645 -13.509 -24.792 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.173 -14.350 -26.843 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.482 -14.674 -27.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.410 -13.138 -28.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.206 -12.361 -27.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.844 -12.048 -27.569 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.736 -13.046 -21.127 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.980 -12.235 -19.946 1.00 0.00 C ATOM 1388 C TYR A 121 -0.665 -11.833 -19.308 1.00 0.00 C ATOM 1389 O TYR A 121 0.406 -12.254 -19.746 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.895 -12.932 -18.924 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.231 -14.155 -18.344 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.124 -14.026 -17.493 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.733 -15.422 -18.654 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.520 -15.170 -16.958 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.130 -16.564 -18.122 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.022 -16.438 -17.275 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.425 -17.564 -16.752 1.00 0.00 O ATOM 0 H TYR A 121 -0.754 -13.285 -21.264 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.509 -11.340 -20.273 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.146 -12.237 -18.123 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.831 -13.216 -19.404 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.738 -13.047 -17.251 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.589 -15.518 -19.306 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.332 -15.075 -16.301 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.518 -17.543 -18.363 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.034 -17.351 -15.879 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.756 -11.025 -18.269 1.00 0.00 N ATOM 1408 CA LEU A 122 0.423 -10.564 -17.562 1.00 0.00 C ATOM 1409 C LEU A 122 0.227 -10.772 -16.062 1.00 0.00 C ATOM 1410 O LEU A 122 -0.703 -10.225 -15.475 1.00 0.00 O ATOM 1411 CB LEU A 122 0.637 -9.083 -17.887 1.00 0.00 C ATOM 1412 CG LEU A 122 1.808 -8.521 -17.085 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.118 -9.112 -17.608 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.836 -6.999 -17.250 1.00 0.00 C ATOM 0 H LEU A 122 -1.637 -10.673 -17.895 1.00 0.00 H new ATOM 0 HA LEU A 122 1.303 -11.127 -17.872 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.829 -8.963 -18.953 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.269 -8.521 -17.661 1.00 0.00 H new ATOM 0 HG LEU A 122 1.692 -8.779 -16.032 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.953 -8.710 -17.035 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.095 -10.197 -17.504 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.241 -8.851 -18.659 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.669 -6.587 -16.681 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.958 -6.749 -18.304 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.901 -6.576 -16.883 1.00 0.00 H new ATOM 1426 N GLU A 123 1.114 -11.554 -15.447 1.00 0.00 N ATOM 1427 CA GLU A 123 1.027 -11.817 -14.010 1.00 0.00 C ATOM 1428 C GLU A 123 2.273 -11.295 -13.311 1.00 0.00 C ATOM 1429 O GLU A 123 3.388 -11.560 -13.755 1.00 0.00 O ATOM 1430 CB GLU A 123 0.888 -13.321 -13.743 1.00 0.00 C ATOM 1431 CG GLU A 123 0.796 -13.565 -12.233 1.00 0.00 C ATOM 1432 CD GLU A 123 0.824 -15.066 -11.939 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.889 -15.833 -12.886 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.779 -15.427 -10.773 1.00 0.00 O ATOM 0 H GLU A 123 1.895 -12.013 -15.916 1.00 0.00 H new ATOM 0 HA GLU A 123 0.147 -11.306 -13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.001 -13.709 -14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.743 -13.855 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.626 -13.072 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.122 -13.127 -11.842 1.00 0.00 H new ATOM 1441 N VAL A 124 2.079 -10.521 -12.246 1.00 0.00 N ATOM 1442 CA VAL A 124 3.216 -9.944 -11.532 1.00 0.00 C ATOM 1443 C VAL A 124 3.068 -10.021 -10.012 1.00 0.00 C ATOM 1444 O VAL A 124 2.073 -9.562 -9.451 1.00 0.00 O ATOM 1445 CB VAL A 124 3.358 -8.476 -11.944 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.512 -7.831 -11.177 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.642 -8.383 -13.445 1.00 0.00 C ATOM 0 H VAL A 124 1.164 -10.282 -11.864 1.00 0.00 H new ATOM 0 HA VAL A 124 4.099 -10.524 -11.799 1.00 0.00 H new ATOM 0 HB VAL A 124 2.429 -7.955 -11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.608 -6.787 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.314 -7.887 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.439 -8.359 -11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.742 -7.336 -13.732 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.567 -8.912 -13.674 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.819 -8.834 -14.000 1.00 0.00 H new ATOM 1457 N GLN A 125 4.087 -10.575 -9.350 1.00 0.00 N ATOM 1458 CA GLN A 125 4.087 -10.673 -7.894 1.00 0.00 C ATOM 1459 C GLN A 125 5.092 -9.667 -7.337 1.00 0.00 C ATOM 1460 O GLN A 125 6.223 -9.583 -7.822 1.00 0.00 O ATOM 1461 CB GLN A 125 4.484 -12.090 -7.453 1.00 0.00 C ATOM 1462 CG GLN A 125 3.614 -13.119 -8.179 1.00 0.00 C ATOM 1463 CD GLN A 125 4.197 -13.418 -9.556 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.750 -12.769 -10.599 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 5.083 -14.262 -9.684 1.00 0.00 N flip ATOM 0 H GLN A 125 4.918 -10.960 -9.800 1.00 0.00 H new ATOM 0 HA GLN A 125 3.087 -10.459 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.536 -12.269 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.363 -12.193 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.556 -14.036 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.597 -12.740 -8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.429 -14.766 -8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.472 -14.458 -10.607 1.00 0.00 H new ATOM 1474 N TYR A 126 4.676 -8.891 -6.341 1.00 0.00 N ATOM 1475 CA TYR A 126 5.563 -7.885 -5.762 1.00 0.00 C ATOM 1476 C TYR A 126 5.183 -7.522 -4.332 1.00 0.00 C ATOM 1477 O TYR A 126 4.137 -7.924 -3.819 1.00 0.00 O ATOM 1478 CB TYR A 126 5.538 -6.612 -6.610 1.00 0.00 C ATOM 1479 CG TYR A 126 4.210 -5.904 -6.436 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.985 -5.095 -5.315 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.208 -6.052 -7.402 1.00 0.00 C ATOM 1482 CE1 TYR A 126 2.755 -4.438 -5.162 1.00 0.00 C ATOM 1483 CE2 TYR A 126 1.981 -5.395 -7.250 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.754 -4.588 -6.131 1.00 0.00 C ATOM 1485 OH TYR A 126 0.542 -3.940 -5.983 1.00 0.00 O ATOM 0 H TYR A 126 3.747 -8.936 -5.923 1.00 0.00 H new ATOM 0 HA TYR A 126 6.562 -8.322 -5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.354 -5.952 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.693 -6.861 -7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 126 4.757 -4.977 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.382 -6.675 -8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 126 2.579 -3.816 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.210 -5.512 -7.997 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.037 -4.152 -6.745 1.00 0.00 H new ATOM 1495 N ASP A 127 6.049 -6.741 -3.699 1.00 0.00 N ATOM 1496 CA ASP A 127 5.818 -6.296 -2.334 1.00 0.00 C ATOM 1497 C ASP A 127 6.016 -4.786 -2.236 1.00 0.00 C ATOM 1498 O ASP A 127 6.681 -4.187 -3.078 1.00 0.00 O ATOM 1499 CB ASP A 127 6.785 -7.004 -1.384 1.00 0.00 C ATOM 1500 CG ASP A 127 6.278 -8.405 -1.071 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.196 -8.739 -1.528 1.00 0.00 O ATOM 1502 OD2 ASP A 127 6.973 -9.125 -0.373 1.00 0.00 O ATOM 0 H ASP A 127 6.919 -6.403 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 127 4.794 -6.541 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.776 -7.060 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.887 -6.431 -0.462 1.00 0.00 H new ATOM 1507 N CYS A 128 5.439 -4.175 -1.206 1.00 0.00 N ATOM 1508 CA CYS A 128 5.575 -2.736 -1.010 1.00 0.00 C ATOM 1509 C CYS A 128 6.406 -2.464 0.231 1.00 0.00 C ATOM 1510 O CYS A 128 5.956 -2.701 1.350 1.00 0.00 O ATOM 1511 CB CYS A 128 4.201 -2.089 -0.854 1.00 0.00 C ATOM 1512 SG CYS A 128 3.280 -2.272 -2.395 1.00 0.00 S ATOM 0 H CYS A 128 4.877 -4.649 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 128 6.070 -2.310 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.657 -2.557 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.309 -1.034 -0.604 1.00 0.00 H new ATOM 1517 N VAL A 129 7.622 -1.980 0.034 1.00 0.00 N ATOM 1518 CA VAL A 129 8.497 -1.711 1.158 1.00 0.00 C ATOM 1519 C VAL A 129 8.591 -0.210 1.431 1.00 0.00 C ATOM 1520 O VAL A 129 8.369 0.598 0.531 1.00 0.00 O ATOM 1521 CB VAL A 129 9.886 -2.268 0.848 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.766 -3.750 0.497 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.483 -1.510 -0.341 1.00 0.00 C ATOM 0 H VAL A 129 8.019 -1.769 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 129 8.089 -2.191 2.047 1.00 0.00 H new ATOM 0 HB VAL A 129 10.533 -2.148 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.754 -4.152 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.335 -4.290 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.122 -3.866 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.474 -1.905 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.839 -1.633 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.562 -0.451 -0.095 1.00 0.00 H new ATOM 1533 N PRO A 130 8.926 0.175 2.642 1.00 0.00 N ATOM 1534 CA PRO A 130 9.061 1.616 3.004 1.00 0.00 C ATOM 1535 C PRO A 130 10.084 2.306 2.104 1.00 0.00 C ATOM 1536 O PRO A 130 11.086 1.703 1.724 1.00 0.00 O ATOM 1537 CB PRO A 130 9.539 1.610 4.461 1.00 0.00 C ATOM 1538 CG PRO A 130 9.308 0.230 4.985 1.00 0.00 C ATOM 1539 CD PRO A 130 9.208 -0.711 3.785 1.00 0.00 C ATOM 0 HA PRO A 130 8.125 2.160 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.594 1.875 4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.991 2.344 5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.125 -0.072 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.394 0.194 5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.135 -1.266 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.415 -1.446 3.922 1.00 0.00 H new