USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -106:sc= -1.64 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.513 K(o=-2.2,f=-4.3) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 HIS : no HD1:sc= -1.55! C(o=-0.15!,f=-7.2!) USER MOD Set 2.3: A 32 TYR OH : rot -46:sc= 1.4 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -4.22 F(o=-7.3!,f=-4.2) USER MOD Single : A 16 TYR OH : rot -56:sc= 0.0138 USER MOD Single : A 17 CYS SG : rot -160:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 150:sc= -0.014 USER MOD Single : A 51 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=-0.059) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=-0.1) USER MOD Single : A 58 MET CE :methyl 161:sc= 0 (180deg=-0.692) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -115:sc= 0.184 (180deg=0) USER MOD Single : A 67 MET CE :methyl -150:sc= -0.347 (180deg=-2.82!) USER MOD Single : A 72 TYR OH : rot -120:sc= -0.915 USER MOD Single : A 76 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.037) USER MOD Single : A 85 MET CE :methyl 133:sc= -0.216 (180deg=-0.994) USER MOD Single : A 87 SER OG : rot 72:sc= 0.911 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.619 F(o=-1.4,f=-0.62) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-4) USER MOD Single : A 102 MET CE :methyl -121:sc= -4.19! (180deg=-11.5!) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc=-0.00173 (180deg=-0.119) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 112 MET CE :methyl 153:sc= -0.171 (180deg=-0.805) USER MOD Single : A 116 LYS NZ :NH3+ -103:sc= -1.69! (180deg=-4.28!) USER MOD Single : A 117 MET CE :methyl -150:sc= -0.342 (180deg=-1.49!) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -5.212 18.053 6.583 1.00 0.00 N ATOM 115 CA SER A 11 -6.101 18.888 5.783 1.00 0.00 C ATOM 116 C SER A 11 -7.519 18.326 5.783 1.00 0.00 C ATOM 117 O SER A 11 -7.728 17.139 6.031 1.00 0.00 O ATOM 118 CB SER A 11 -5.582 18.992 4.348 1.00 0.00 C ATOM 119 OG SER A 11 -5.959 20.224 3.758 1.00 0.00 O ATOM 0 HA SER A 11 -6.123 19.883 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.496 18.900 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.975 18.166 3.755 1.00 0.00 H new ATOM 0 HG SER A 11 -5.614 20.267 2.842 1.00 0.00 H new ATOM 125 N GLU A 12 -8.491 19.189 5.504 1.00 0.00 N ATOM 126 CA GLU A 12 -9.890 18.779 5.472 1.00 0.00 C ATOM 127 C GLU A 12 -10.053 17.454 4.734 1.00 0.00 C ATOM 128 O GLU A 12 -10.913 16.642 5.075 1.00 0.00 O ATOM 129 CB GLU A 12 -10.745 19.857 4.802 1.00 0.00 C ATOM 130 CG GLU A 12 -10.349 20.141 3.363 1.00 0.00 C ATOM 131 CD GLU A 12 -11.068 19.245 2.373 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.578 18.186 2.794 1.00 0.00 O ATOM 133 OE2 GLU A 12 -11.120 19.603 1.178 1.00 0.00 O ATOM 0 H GLU A 12 -8.335 20.176 5.297 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.226 18.645 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.790 19.548 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.670 20.779 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.567 21.183 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.273 20.008 3.253 1.00 0.00 H new ATOM 140 N HIS A 13 -9.220 17.242 3.720 1.00 0.00 N ATOM 141 CA HIS A 13 -9.270 16.015 2.932 1.00 0.00 C ATOM 142 C HIS A 13 -8.457 14.909 3.598 1.00 0.00 C ATOM 143 O HIS A 13 -8.982 13.838 3.907 1.00 0.00 O ATOM 144 CB HIS A 13 -8.746 16.270 1.519 1.00 0.00 C ATOM 145 CG HIS A 13 -9.781 16.819 0.586 1.00 0.00 C ATOM 146 ND1 HIS A 13 -11.132 16.821 0.665 1.00 0.00 N flip ATOM 147 CD2 HIS A 13 -9.467 17.456 -0.596 1.00 0.00 C flip ATOM 148 CE1 HIS A 13 -11.605 17.455 -0.458 1.00 0.00 C flip ATOM 149 NE2 HIS A 13 -10.580 17.828 -1.202 1.00 0.00 N flip ATOM 0 H HIS A 13 -8.502 17.904 3.425 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.309 15.692 2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.909 16.967 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.359 15.337 1.110 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -11.694 16.425 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.467 17.624 -0.968 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.646 17.621 -0.694 1.00 0.00 H new ATOM 157 N LEU A 14 -7.174 15.173 3.815 1.00 0.00 N ATOM 158 CA LEU A 14 -6.287 14.200 4.443 1.00 0.00 C ATOM 159 C LEU A 14 -6.937 13.592 5.682 1.00 0.00 C ATOM 160 O LEU A 14 -7.022 12.371 5.815 1.00 0.00 O ATOM 161 CB LEU A 14 -4.960 14.859 4.821 1.00 0.00 C ATOM 162 CG LEU A 14 -3.742 13.935 4.872 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.452 13.357 3.496 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.528 14.681 5.406 1.00 0.00 C ATOM 0 H LEU A 14 -6.724 16.054 3.565 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.097 13.402 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.757 15.656 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.076 15.329 5.798 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.964 13.111 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.582 12.702 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.314 12.786 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.251 14.168 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.671 14.008 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.304 15.525 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.738 15.045 6.412 1.00 0.00 H new ATOM 176 N ARG A 15 -7.396 14.452 6.586 1.00 0.00 N ATOM 177 CA ARG A 15 -8.039 14.000 7.813 1.00 0.00 C ATOM 178 C ARG A 15 -8.859 12.737 7.565 1.00 0.00 C ATOM 179 O ARG A 15 -8.687 11.728 8.249 1.00 0.00 O ATOM 180 CB ARG A 15 -8.938 15.101 8.379 1.00 0.00 C ATOM 181 CG ARG A 15 -8.169 16.253 9.005 1.00 0.00 C ATOM 182 CD ARG A 15 -9.101 17.231 9.702 1.00 0.00 C ATOM 183 NE ARG A 15 -9.462 16.781 11.044 1.00 0.00 N ATOM 184 CZ ARG A 15 -8.686 16.948 12.109 1.00 0.00 C ATOM 185 NH1 ARG A 15 -7.512 17.552 11.989 1.00 0.00 N ATOM 186 NH2 ARG A 15 -9.085 16.511 13.297 1.00 0.00 N ATOM 0 H ARG A 15 -7.334 15.466 6.491 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.258 13.769 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.570 15.489 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.601 14.668 9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.447 15.863 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.602 16.775 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.621 18.208 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.005 17.357 9.106 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.359 16.313 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.203 17.890 11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.918 17.679 12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.988 16.047 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.489 16.640 14.114 1.00 0.00 H new ATOM 200 N TYR A 16 -9.749 12.801 6.581 1.00 0.00 N ATOM 201 CA TYR A 16 -10.598 11.664 6.244 1.00 0.00 C ATOM 202 C TYR A 16 -9.757 10.462 5.825 1.00 0.00 C ATOM 203 O TYR A 16 -10.013 9.334 6.248 1.00 0.00 O ATOM 204 CB TYR A 16 -11.566 12.039 5.121 1.00 0.00 C ATOM 205 CG TYR A 16 -12.431 10.889 4.658 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.881 9.809 3.980 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.800 10.882 4.899 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.668 8.756 3.554 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.594 9.833 4.479 1.00 0.00 C ATOM 210 CZ TYR A 16 -14.024 8.773 3.806 1.00 0.00 C ATOM 211 OH TYR A 16 -14.811 7.725 3.385 1.00 0.00 O ATOM 0 H TYR A 16 -9.901 13.627 6.003 1.00 0.00 H new ATOM 0 HA TYR A 16 -11.169 11.394 7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.208 12.851 5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.996 12.418 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.819 9.792 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.251 11.711 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.224 7.925 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.656 9.843 4.677 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.699 7.599 2.420 1.00 0.00 H new ATOM 221 N CYS A 17 -8.753 10.712 4.992 1.00 0.00 N ATOM 222 CA CYS A 17 -7.873 9.651 4.514 1.00 0.00 C ATOM 223 C CYS A 17 -7.205 8.932 5.682 1.00 0.00 C ATOM 224 O CYS A 17 -7.103 7.706 5.692 1.00 0.00 O ATOM 225 CB CYS A 17 -6.810 10.226 3.578 1.00 0.00 C ATOM 226 SG CYS A 17 -7.409 10.581 1.909 1.00 0.00 S ATOM 0 H CYS A 17 -8.528 11.640 4.633 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.478 8.929 3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.416 11.144 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.980 9.522 3.512 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.400 10.654 1.092 1.00 0.00 H new ATOM 232 N ASP A 18 -6.752 9.704 6.663 1.00 0.00 N ATOM 233 CA ASP A 18 -6.092 9.141 7.836 1.00 0.00 C ATOM 234 C ASP A 18 -6.837 7.908 8.339 1.00 0.00 C ATOM 235 O ASP A 18 -6.229 6.970 8.854 1.00 0.00 O ATOM 236 CB ASP A 18 -6.003 10.187 8.949 1.00 0.00 C ATOM 237 CG ASP A 18 -5.370 9.636 10.211 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.194 9.219 10.152 1.00 0.00 O ATOM 239 OD2 ASP A 18 -6.049 9.624 11.259 1.00 0.00 O ATOM 0 H ASP A 18 -6.829 10.721 6.670 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.084 8.842 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.422 11.040 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.003 10.555 9.178 1.00 0.00 H new ATOM 244 N SER A 19 -8.158 7.918 8.186 1.00 0.00 N ATOM 245 CA SER A 19 -8.986 6.802 8.629 1.00 0.00 C ATOM 246 C SER A 19 -8.931 5.653 7.627 1.00 0.00 C ATOM 247 O SER A 19 -8.673 4.507 7.995 1.00 0.00 O ATOM 248 CB SER A 19 -10.434 7.259 8.819 1.00 0.00 C ATOM 249 OG SER A 19 -10.506 8.378 9.686 1.00 0.00 O ATOM 0 H SER A 19 -8.677 8.685 7.759 1.00 0.00 H new ATOM 0 HA SER A 19 -8.595 6.448 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.868 7.515 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.027 6.440 9.227 1.00 0.00 H new ATOM 0 HG SER A 19 -11.441 8.652 9.790 1.00 0.00 H new ATOM 255 N ILE A 20 -9.175 5.970 6.360 1.00 0.00 N ATOM 256 CA ILE A 20 -9.152 4.965 5.304 1.00 0.00 C ATOM 257 C ILE A 20 -8.028 3.959 5.527 1.00 0.00 C ATOM 258 O ILE A 20 -8.127 2.801 5.119 1.00 0.00 O ATOM 259 CB ILE A 20 -8.981 5.610 3.916 1.00 0.00 C ATOM 260 CG1 ILE A 20 -10.016 6.718 3.713 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.101 4.558 2.824 1.00 0.00 C ATOM 262 CD1 ILE A 20 -10.020 7.293 2.314 1.00 0.00 C ATOM 0 H ILE A 20 -9.391 6.914 6.040 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.111 4.448 5.339 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.987 6.053 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.007 6.324 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.823 7.520 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.978 5.030 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.328 3.801 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.083 4.088 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.778 8.073 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.041 7.718 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.244 6.503 1.597 1.00 0.00 H new ATOM 274 N LEU A 21 -6.961 4.407 6.178 1.00 0.00 N ATOM 275 CA LEU A 21 -5.818 3.545 6.458 1.00 0.00 C ATOM 276 C LEU A 21 -6.041 2.742 7.735 1.00 0.00 C ATOM 277 O LEU A 21 -5.770 1.541 7.780 1.00 0.00 O ATOM 278 CB LEU A 21 -4.543 4.382 6.585 1.00 0.00 C ATOM 279 CG LEU A 21 -3.296 3.636 7.062 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.882 2.584 6.044 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.156 4.612 7.317 1.00 0.00 C ATOM 0 H LEU A 21 -6.863 5.362 6.522 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.708 2.848 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.326 4.828 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.738 5.202 7.276 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.533 3.132 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.993 2.063 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.693 1.868 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.663 3.066 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.277 4.064 7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.919 5.144 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.454 5.328 8.083 1.00 0.00 H new ATOM 293 N ARG A 22 -6.539 3.411 8.770 1.00 0.00 N ATOM 294 CA ARG A 22 -6.800 2.758 10.047 1.00 0.00 C ATOM 295 C ARG A 22 -7.787 1.606 9.877 1.00 0.00 C ATOM 296 O ARG A 22 -7.596 0.526 10.436 1.00 0.00 O ATOM 297 CB ARG A 22 -7.348 3.768 11.057 1.00 0.00 C ATOM 298 CG ARG A 22 -8.865 3.855 11.070 1.00 0.00 C ATOM 299 CD ARG A 22 -9.357 4.870 12.091 1.00 0.00 C ATOM 300 NE ARG A 22 -10.813 4.871 12.204 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.493 4.002 12.943 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.852 3.067 13.631 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.817 4.067 12.996 1.00 0.00 N ATOM 0 H ARG A 22 -6.770 4.404 8.749 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.858 2.355 10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.000 3.498 12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.938 4.753 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.223 4.132 10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.285 2.875 11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.918 4.648 13.064 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.015 5.865 11.807 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.336 5.578 11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.834 3.014 13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.377 2.401 14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.314 4.785 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.338 3.399 13.564 1.00 0.00 H new ATOM 317 N GLU A 23 -8.841 1.845 9.104 1.00 0.00 N ATOM 318 CA GLU A 23 -9.857 0.828 8.863 1.00 0.00 C ATOM 319 C GLU A 23 -9.250 -0.399 8.189 1.00 0.00 C ATOM 320 O GLU A 23 -9.529 -1.534 8.575 1.00 0.00 O ATOM 321 CB GLU A 23 -10.983 1.395 7.995 1.00 0.00 C ATOM 322 CG GLU A 23 -10.647 1.437 6.513 1.00 0.00 C ATOM 323 CD GLU A 23 -11.651 2.240 5.710 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.371 3.064 6.312 1.00 0.00 O ATOM 325 OE2 GLU A 23 -11.717 2.044 4.478 1.00 0.00 O ATOM 0 H GLU A 23 -9.014 2.734 8.634 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.267 0.526 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.880 0.792 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.219 2.404 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.654 1.868 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.607 0.419 6.124 1.00 0.00 H new ATOM 332 N MET A 24 -8.418 -0.161 7.180 1.00 0.00 N ATOM 333 CA MET A 24 -7.770 -1.247 6.452 1.00 0.00 C ATOM 334 C MET A 24 -6.943 -2.115 7.395 1.00 0.00 C ATOM 335 O MET A 24 -6.773 -3.313 7.163 1.00 0.00 O ATOM 336 CB MET A 24 -6.879 -0.685 5.343 1.00 0.00 C ATOM 337 CG MET A 24 -7.651 -0.231 4.115 1.00 0.00 C ATOM 338 SD MET A 24 -6.652 -0.268 2.614 1.00 0.00 S ATOM 339 CE MET A 24 -5.470 1.032 2.962 1.00 0.00 C ATOM 0 H MET A 24 -8.177 0.773 6.848 1.00 0.00 H new ATOM 0 HA MET A 24 -8.547 -1.867 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.311 0.158 5.737 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.157 -1.446 5.047 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.523 -0.871 3.982 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.020 0.782 4.276 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.781 1.131 2.123 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.998 1.974 3.111 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.911 0.783 3.864 1.00 0.00 H new ATOM 349 N LEU A 25 -6.430 -1.504 8.457 1.00 0.00 N ATOM 350 CA LEU A 25 -5.620 -2.222 9.435 1.00 0.00 C ATOM 351 C LEU A 25 -6.497 -2.847 10.515 1.00 0.00 C ATOM 352 O LEU A 25 -6.103 -2.927 11.679 1.00 0.00 O ATOM 353 CB LEU A 25 -4.600 -1.277 10.074 1.00 0.00 C ATOM 354 CG LEU A 25 -3.270 -1.126 9.335 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.471 0.035 9.905 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.467 -2.417 9.412 1.00 0.00 C ATOM 0 H LEU A 25 -6.560 -0.514 8.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.091 -3.021 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.056 -0.291 10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.393 -1.628 11.085 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.481 -0.915 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.528 0.127 9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.042 0.957 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.270 -0.145 10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.524 -2.291 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.266 -2.659 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.035 -3.227 8.955 1.00 0.00 H new ATOM 368 N SER A 26 -7.686 -3.292 10.121 1.00 0.00 N ATOM 369 CA SER A 26 -8.619 -3.909 11.056 1.00 0.00 C ATOM 370 C SER A 26 -8.605 -5.428 10.914 1.00 0.00 C ATOM 371 O SER A 26 -8.252 -5.963 9.863 1.00 0.00 O ATOM 372 CB SER A 26 -10.034 -3.377 10.822 1.00 0.00 C ATOM 373 OG SER A 26 -10.955 -3.961 11.728 1.00 0.00 O ATOM 0 H SER A 26 -8.026 -3.237 9.161 1.00 0.00 H new ATOM 0 HA SER A 26 -8.304 -3.653 12.068 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.042 -2.293 10.938 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.341 -3.590 9.798 1.00 0.00 H new ATOM 0 HG SER A 26 -11.852 -3.603 11.559 1.00 0.00 H new ATOM 379 N LYS A 27 -8.991 -6.119 11.982 1.00 0.00 N ATOM 380 CA LYS A 27 -9.025 -7.577 11.979 1.00 0.00 C ATOM 381 C LYS A 27 -9.861 -8.100 10.815 1.00 0.00 C ATOM 382 O LYS A 27 -9.458 -9.028 10.115 1.00 0.00 O ATOM 383 CB LYS A 27 -9.591 -8.097 13.302 1.00 0.00 C ATOM 384 CG LYS A 27 -8.617 -7.993 14.463 1.00 0.00 C ATOM 385 CD LYS A 27 -7.548 -9.070 14.393 1.00 0.00 C ATOM 386 CE LYS A 27 -6.337 -8.710 15.240 1.00 0.00 C ATOM 387 NZ LYS A 27 -5.210 -9.659 15.028 1.00 0.00 N ATOM 0 H LYS A 27 -9.285 -5.692 12.861 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.004 -7.939 11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.495 -7.538 13.546 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.885 -9.139 13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.145 -7.010 14.456 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.161 -8.079 15.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.963 -10.018 14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.240 -9.211 13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.011 -7.699 14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.618 -8.709 16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.404 -9.379 15.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.513 -10.620 15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.925 -9.641 14.028 1.00 0.00 H new ATOM 401 N LYS A 28 -11.028 -7.497 10.614 1.00 0.00 N ATOM 402 CA LYS A 28 -11.921 -7.899 9.534 1.00 0.00 C ATOM 403 C LYS A 28 -11.183 -7.925 8.199 1.00 0.00 C ATOM 404 O LYS A 28 -11.102 -8.965 7.544 1.00 0.00 O ATOM 405 CB LYS A 28 -13.115 -6.945 9.449 1.00 0.00 C ATOM 406 CG LYS A 28 -14.222 -7.436 8.533 1.00 0.00 C ATOM 407 CD LYS A 28 -15.183 -6.316 8.169 1.00 0.00 C ATOM 408 CE LYS A 28 -14.719 -5.564 6.931 1.00 0.00 C ATOM 409 NZ LYS A 28 -15.535 -4.343 6.686 1.00 0.00 N ATOM 0 H LYS A 28 -11.377 -6.728 11.185 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.282 -8.905 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.522 -6.796 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.768 -5.973 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.786 -7.852 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.769 -8.242 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.176 -6.730 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.270 -5.623 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.672 -5.284 7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.779 -6.221 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.221 -3.886 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.537 -4.607 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.418 -3.682 7.480 1.00 0.00 H new ATOM 423 N HIS A 29 -10.645 -6.776 7.802 1.00 0.00 N ATOM 424 CA HIS A 29 -9.911 -6.669 6.546 1.00 0.00 C ATOM 425 C HIS A 29 -8.639 -7.511 6.586 1.00 0.00 C ATOM 426 O HIS A 29 -8.203 -8.042 5.566 1.00 0.00 O ATOM 427 CB HIS A 29 -9.561 -5.209 6.258 1.00 0.00 C ATOM 428 CG HIS A 29 -10.745 -4.373 5.880 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.773 -4.838 5.088 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.061 -3.094 6.192 1.00 0.00 C ATOM 431 CE1 HIS A 29 -12.670 -3.882 4.928 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.262 -2.813 5.588 1.00 0.00 N ATOM 0 H HIS A 29 -10.704 -5.906 8.332 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.550 -7.046 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.088 -4.777 7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.828 -5.172 5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.477 -2.420 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.582 -3.961 4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.758 -1.923 5.641 1.00 0.00 H new ATOM 440 N ALA A 30 -8.050 -7.628 7.772 1.00 0.00 N ATOM 441 CA ALA A 30 -6.830 -8.406 7.945 1.00 0.00 C ATOM 442 C ALA A 30 -6.831 -9.637 7.045 1.00 0.00 C ATOM 443 O ALA A 30 -5.826 -9.954 6.409 1.00 0.00 O ATOM 444 CB ALA A 30 -6.666 -8.814 9.401 1.00 0.00 C ATOM 0 H ALA A 30 -8.398 -7.194 8.627 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.986 -7.779 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.751 -9.395 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.610 -7.922 10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.520 -9.418 9.708 1.00 0.00 H new ATOM 450 N ALA A 31 -7.965 -10.328 6.997 1.00 0.00 N ATOM 451 CA ALA A 31 -8.098 -11.523 6.174 1.00 0.00 C ATOM 452 C ALA A 31 -7.462 -11.319 4.803 1.00 0.00 C ATOM 453 O ALA A 31 -6.708 -12.167 4.325 1.00 0.00 O ATOM 454 CB ALA A 31 -9.563 -11.904 6.028 1.00 0.00 C ATOM 0 H ALA A 31 -8.805 -10.080 7.519 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.571 -12.337 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.647 -12.798 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.987 -12.102 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.107 -11.085 5.556 1.00 0.00 H new ATOM 460 N TYR A 32 -7.773 -10.191 4.175 1.00 0.00 N ATOM 461 CA TYR A 32 -7.235 -9.877 2.856 1.00 0.00 C ATOM 462 C TYR A 32 -6.413 -8.592 2.895 1.00 0.00 C ATOM 463 O TYR A 32 -6.210 -7.941 1.871 1.00 0.00 O ATOM 464 CB TYR A 32 -8.368 -9.741 1.839 1.00 0.00 C ATOM 465 CG TYR A 32 -9.593 -9.042 2.386 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.700 -7.658 2.352 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.642 -9.768 2.937 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.817 -7.016 2.852 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.763 -9.134 3.438 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.846 -7.758 3.393 1.00 0.00 C ATOM 471 OH TYR A 32 -12.960 -7.122 3.891 1.00 0.00 O ATOM 0 H TYR A 32 -8.395 -9.479 4.557 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.582 -10.695 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.003 -9.190 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.652 -10.734 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.897 -7.074 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.580 -10.846 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.884 -5.939 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.570 -9.713 3.863 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.683 -6.367 4.450 1.00 0.00 H new ATOM 481 N ALA A 33 -5.943 -8.234 4.085 1.00 0.00 N ATOM 482 CA ALA A 33 -5.141 -7.029 4.259 1.00 0.00 C ATOM 483 C ALA A 33 -3.795 -7.353 4.898 1.00 0.00 C ATOM 484 O ALA A 33 -2.945 -6.476 5.055 1.00 0.00 O ATOM 485 CB ALA A 33 -5.895 -6.010 5.100 1.00 0.00 C ATOM 0 H ALA A 33 -6.104 -8.761 4.943 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.953 -6.602 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.284 -5.115 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.829 -5.747 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.113 -6.436 6.079 1.00 0.00 H new ATOM 491 N TRP A 34 -3.608 -8.615 5.264 1.00 0.00 N ATOM 492 CA TRP A 34 -2.364 -9.054 5.887 1.00 0.00 C ATOM 493 C TRP A 34 -1.262 -9.219 4.846 1.00 0.00 C ATOM 494 O TRP A 34 -0.077 -9.033 5.121 1.00 0.00 O ATOM 495 CB TRP A 34 -2.580 -10.372 6.633 1.00 0.00 C ATOM 496 CG TRP A 34 -2.765 -11.547 5.721 1.00 0.00 C ATOM 497 CD1 TRP A 34 -3.944 -12.153 5.394 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.739 -12.258 5.020 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.713 -13.198 4.533 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.368 -13.283 4.287 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.350 -12.127 4.939 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.654 -14.171 3.486 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.357 -13.009 4.144 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.296 -14.020 3.426 1.00 0.00 C ATOM 0 H TRP A 34 -4.301 -9.353 5.141 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.054 -8.289 6.599 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.725 -10.557 7.284 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.456 -10.278 7.275 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -4.916 -11.854 5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.427 -13.811 4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.162 -11.350 5.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.155 -14.951 2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.431 -12.918 4.075 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.285 -14.693 2.813 1.00 0.00 H new ATOM 515 N PRO A 35 -1.658 -9.578 3.616 1.00 0.00 N ATOM 516 CA PRO A 35 -0.627 -9.747 2.588 1.00 0.00 C ATOM 517 C PRO A 35 0.348 -8.575 2.547 1.00 0.00 C ATOM 518 O PRO A 35 1.454 -8.693 2.019 1.00 0.00 O ATOM 519 CB PRO A 35 -1.431 -9.819 1.287 1.00 0.00 C ATOM 520 CG PRO A 35 -2.771 -10.324 1.698 1.00 0.00 C ATOM 521 CD PRO A 35 -3.010 -9.845 3.097 1.00 0.00 C ATOM 0 HA PRO A 35 -0.008 -10.625 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.505 -8.840 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.960 -10.488 0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.545 -9.954 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.803 -11.413 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.628 -8.947 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.526 -10.597 3.694 1.00 0.00 H new ATOM 529 N PHE A 36 -0.069 -7.445 3.107 1.00 0.00 N ATOM 530 CA PHE A 36 0.768 -6.251 3.135 1.00 0.00 C ATOM 531 C PHE A 36 1.324 -6.008 4.535 1.00 0.00 C ATOM 532 O PHE A 36 2.413 -5.457 4.695 1.00 0.00 O ATOM 533 CB PHE A 36 -0.032 -5.031 2.672 1.00 0.00 C ATOM 534 CG PHE A 36 -0.794 -5.262 1.399 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.936 -6.047 1.392 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.369 -4.693 0.209 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.638 -6.261 0.221 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.068 -4.903 -0.965 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.205 -5.688 -0.958 1.00 0.00 C ATOM 0 H PHE A 36 -0.982 -7.331 3.548 1.00 0.00 H new ATOM 0 HA PHE A 36 1.605 -6.408 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.731 -4.745 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.649 -4.192 2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.281 -6.496 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.519 -4.078 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.525 -6.877 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.726 -4.454 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.754 -5.853 -1.873 1.00 0.00 H new ATOM 549 N TYR A 37 0.567 -6.422 5.545 1.00 0.00 N ATOM 550 CA TYR A 37 0.981 -6.247 6.932 1.00 0.00 C ATOM 551 C TYR A 37 2.494 -6.382 7.070 1.00 0.00 C ATOM 552 O TYR A 37 3.170 -5.472 7.550 1.00 0.00 O ATOM 553 CB TYR A 37 0.283 -7.272 7.828 1.00 0.00 C ATOM 554 CG TYR A 37 -1.028 -6.782 8.400 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.888 -5.995 7.644 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.407 -7.106 9.697 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.086 -5.544 8.163 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.604 -6.662 10.223 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.440 -5.881 9.453 1.00 0.00 C ATOM 560 OH TYR A 37 -4.633 -5.435 9.974 1.00 0.00 O ATOM 0 H TYR A 37 -0.336 -6.881 5.429 1.00 0.00 H new ATOM 0 HA TYR A 37 0.693 -5.244 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.102 -8.181 7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.950 -7.540 8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.615 -5.731 6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.754 -7.716 10.304 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.742 -4.931 7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.884 -6.925 11.232 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.731 -5.761 10.893 1.00 0.00 H new ATOM 570 N LYS A 38 3.021 -7.526 6.645 1.00 0.00 N ATOM 571 CA LYS A 38 4.454 -7.782 6.717 1.00 0.00 C ATOM 572 C LYS A 38 5.107 -7.619 5.348 1.00 0.00 C ATOM 573 O LYS A 38 4.504 -7.894 4.310 1.00 0.00 O ATOM 574 CB LYS A 38 4.714 -9.192 7.253 1.00 0.00 C ATOM 575 CG LYS A 38 4.424 -9.343 8.736 1.00 0.00 C ATOM 576 CD LYS A 38 4.175 -10.794 9.111 1.00 0.00 C ATOM 577 CE LYS A 38 3.491 -10.910 10.465 1.00 0.00 C ATOM 578 NZ LYS A 38 2.766 -12.203 10.610 1.00 0.00 N ATOM 0 H LYS A 38 2.476 -8.291 6.247 1.00 0.00 H new ATOM 0 HA LYS A 38 4.894 -7.053 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.101 -9.901 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.755 -9.456 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.264 -8.956 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.553 -8.743 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.557 -11.267 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.122 -11.333 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.235 -10.820 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.790 -10.084 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.313 -12.244 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.039 -12.278 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.439 -12.991 10.516 1.00 0.00 H new ATOM 592 N PRO A 39 6.367 -7.161 5.343 1.00 0.00 N ATOM 593 CA PRO A 39 7.129 -6.953 4.108 1.00 0.00 C ATOM 594 C PRO A 39 7.499 -8.266 3.427 1.00 0.00 C ATOM 595 O PRO A 39 7.181 -9.346 3.924 1.00 0.00 O ATOM 596 CB PRO A 39 8.388 -6.225 4.586 1.00 0.00 C ATOM 597 CG PRO A 39 8.542 -6.630 6.012 1.00 0.00 C ATOM 598 CD PRO A 39 7.147 -6.812 6.543 1.00 0.00 C ATOM 0 HA PRO A 39 6.556 -6.399 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.259 -6.512 3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.281 -5.144 4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.115 -7.553 6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.079 -5.869 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.103 -7.601 7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.774 -5.902 7.014 1.00 0.00 H new ATOM 606 N VAL A 40 8.173 -8.166 2.286 1.00 0.00 N ATOM 607 CA VAL A 40 8.588 -9.346 1.537 1.00 0.00 C ATOM 608 C VAL A 40 10.069 -9.640 1.750 1.00 0.00 C ATOM 609 O VAL A 40 10.926 -8.803 1.466 1.00 0.00 O ATOM 610 CB VAL A 40 8.322 -9.176 0.029 1.00 0.00 C ATOM 611 CG1 VAL A 40 9.185 -8.062 -0.543 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.570 -10.485 -0.706 1.00 0.00 C ATOM 0 H VAL A 40 8.443 -7.280 1.860 1.00 0.00 H new ATOM 0 HA VAL A 40 7.997 -10.182 1.911 1.00 0.00 H new ATOM 0 HB VAL A 40 7.277 -8.900 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.983 -7.957 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.954 -7.125 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.237 -8.304 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.377 -10.347 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.606 -10.793 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.905 -11.254 -0.314 1.00 0.00 H new ATOM 622 N ASP A 41 10.362 -10.834 2.253 1.00 0.00 N ATOM 623 CA ASP A 41 11.740 -11.240 2.503 1.00 0.00 C ATOM 624 C ASP A 41 12.221 -12.219 1.437 1.00 0.00 C ATOM 625 O ASP A 41 12.156 -13.434 1.621 1.00 0.00 O ATOM 626 CB ASP A 41 11.863 -11.876 3.889 1.00 0.00 C ATOM 627 CG ASP A 41 13.271 -11.788 4.444 1.00 0.00 C ATOM 628 OD1 ASP A 41 13.600 -10.758 5.069 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.044 -12.750 4.253 1.00 0.00 O ATOM 0 H ASP A 41 9.664 -11.537 2.496 1.00 0.00 H new ATOM 0 HA ASP A 41 12.368 -10.350 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.174 -11.382 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.562 -12.922 3.833 1.00 0.00 H new ATOM 634 N ALA A 42 12.702 -11.681 0.321 1.00 0.00 N ATOM 635 CA ALA A 42 13.195 -12.507 -0.775 1.00 0.00 C ATOM 636 C ALA A 42 14.159 -13.574 -0.268 1.00 0.00 C ATOM 637 O ALA A 42 14.137 -14.713 -0.732 1.00 0.00 O ATOM 638 CB ALA A 42 13.870 -11.639 -1.827 1.00 0.00 C ATOM 0 H ALA A 42 12.761 -10.677 0.152 1.00 0.00 H new ATOM 0 HA ALA A 42 12.342 -13.012 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.233 -12.268 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.152 -10.918 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.708 -11.108 -1.377 1.00 0.00 H new ATOM 751 N TYR A 50 13.285 -10.705 -7.450 1.00 0.00 N ATOM 752 CA TYR A 50 12.128 -9.912 -7.052 1.00 0.00 C ATOM 753 C TYR A 50 12.348 -8.434 -7.360 1.00 0.00 C ATOM 754 O TYR A 50 11.781 -7.894 -8.310 1.00 0.00 O ATOM 755 CB TYR A 50 11.845 -10.096 -5.560 1.00 0.00 C ATOM 756 CG TYR A 50 10.777 -9.169 -5.027 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.429 -9.433 -5.241 1.00 0.00 C ATOM 758 CD2 TYR A 50 11.114 -8.028 -4.310 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.450 -8.588 -4.756 1.00 0.00 C ATOM 760 CE2 TYR A 50 10.141 -7.178 -3.820 1.00 0.00 C ATOM 761 CZ TYR A 50 8.811 -7.462 -4.046 1.00 0.00 C ATOM 762 OH TYR A 50 7.839 -6.618 -3.561 1.00 0.00 O ATOM 0 HA TYR A 50 11.268 -10.260 -7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.541 -11.127 -5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.767 -9.934 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.142 -10.314 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.155 -7.801 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.407 -8.808 -4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.421 -6.296 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 50 8.158 -6.189 -2.740 1.00 0.00 H new ATOM 772 N HIS A 51 13.178 -7.784 -6.549 1.00 0.00 N ATOM 773 CA HIS A 51 13.476 -6.369 -6.734 1.00 0.00 C ATOM 774 C HIS A 51 13.549 -6.018 -8.218 1.00 0.00 C ATOM 775 O HIS A 51 12.873 -5.100 -8.682 1.00 0.00 O ATOM 776 CB HIS A 51 14.794 -6.009 -6.048 1.00 0.00 C ATOM 777 CG HIS A 51 14.786 -6.254 -4.571 1.00 0.00 C ATOM 778 ND1 HIS A 51 14.069 -5.480 -3.683 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.412 -7.196 -3.826 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.256 -5.934 -2.456 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.067 -6.975 -2.516 1.00 0.00 N ATOM 0 H HIS A 51 13.656 -8.215 -5.758 1.00 0.00 H new ATOM 0 HA HIS A 51 12.670 -5.792 -6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.599 -6.588 -6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.015 -4.958 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.062 -7.976 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.820 -5.524 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.385 -7.525 -1.718 1.00 0.00 H new ATOM 789 N ASP A 52 14.372 -6.755 -8.955 1.00 0.00 N ATOM 790 CA ASP A 52 14.533 -6.523 -10.385 1.00 0.00 C ATOM 791 C ASP A 52 13.204 -6.136 -11.026 1.00 0.00 C ATOM 792 O ASP A 52 13.124 -5.159 -11.771 1.00 0.00 O ATOM 793 CB ASP A 52 15.097 -7.771 -11.066 1.00 0.00 C ATOM 794 CG ASP A 52 16.335 -8.301 -10.370 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.273 -8.534 -9.145 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.367 -8.481 -11.050 1.00 0.00 O ATOM 0 H ASP A 52 14.938 -7.519 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 52 15.234 -5.698 -10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.333 -8.548 -11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.339 -7.538 -12.103 1.00 0.00 H new ATOM 801 N ILE A 53 12.164 -6.908 -10.731 1.00 0.00 N ATOM 802 CA ILE A 53 10.839 -6.646 -11.279 1.00 0.00 C ATOM 803 C ILE A 53 10.153 -5.504 -10.536 1.00 0.00 C ATOM 804 O ILE A 53 9.538 -4.632 -11.150 1.00 0.00 O ATOM 805 CB ILE A 53 9.943 -7.897 -11.211 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.529 -9.017 -12.074 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.528 -7.561 -11.658 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.165 -10.404 -11.592 1.00 0.00 C ATOM 0 H ILE A 53 12.213 -7.720 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 53 10.980 -6.366 -12.323 1.00 0.00 H new ATOM 0 HB ILE A 53 9.903 -8.242 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.181 -8.894 -13.100 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.615 -8.921 -12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.907 -8.455 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.113 -6.792 -11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.548 -7.194 -12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.614 -11.148 -12.250 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.537 -10.546 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.081 -10.519 -11.600 1.00 0.00 H new ATOM 820 N ILE A 54 10.266 -5.514 -9.212 1.00 0.00 N ATOM 821 CA ILE A 54 9.660 -4.477 -8.386 1.00 0.00 C ATOM 822 C ILE A 54 10.572 -3.260 -8.276 1.00 0.00 C ATOM 823 O ILE A 54 11.600 -3.299 -7.601 1.00 0.00 O ATOM 824 CB ILE A 54 9.344 -4.998 -6.971 1.00 0.00 C ATOM 825 CG1 ILE A 54 8.276 -6.091 -7.033 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.890 -3.855 -6.076 1.00 0.00 C ATOM 827 CD1 ILE A 54 7.050 -5.694 -7.826 1.00 0.00 C ATOM 0 H ILE A 54 10.772 -6.229 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 54 8.729 -4.188 -8.874 1.00 0.00 H new ATOM 0 HB ILE A 54 10.251 -5.428 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.710 -6.987 -7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.974 -6.351 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.670 -4.238 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.681 -3.108 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.993 -3.399 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.335 -6.517 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.591 -4.816 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.339 -5.463 -8.851 1.00 0.00 H new ATOM 839 N LYS A 55 10.186 -2.177 -8.942 1.00 0.00 N ATOM 840 CA LYS A 55 10.966 -0.945 -8.918 1.00 0.00 C ATOM 841 C LYS A 55 11.077 -0.400 -7.498 1.00 0.00 C ATOM 842 O LYS A 55 12.175 -0.266 -6.958 1.00 0.00 O ATOM 843 CB LYS A 55 10.327 0.105 -9.830 1.00 0.00 C ATOM 844 CG LYS A 55 10.634 -0.102 -11.303 1.00 0.00 C ATOM 845 CD LYS A 55 12.064 0.288 -11.635 1.00 0.00 C ATOM 846 CE LYS A 55 12.384 0.039 -13.102 1.00 0.00 C ATOM 847 NZ LYS A 55 11.884 1.139 -13.972 1.00 0.00 N ATOM 0 H LYS A 55 9.337 -2.127 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 55 11.968 -1.171 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.247 0.089 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.674 1.094 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.471 -1.147 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.945 0.490 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.218 1.341 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.752 -0.281 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.462 -0.061 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.938 -0.904 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.121 0.933 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.852 1.219 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.329 2.035 -13.689 1.00 0.00 H new ATOM 861 N HIS A 56 9.933 -0.087 -6.898 1.00 0.00 N ATOM 862 CA HIS A 56 9.902 0.443 -5.539 1.00 0.00 C ATOM 863 C HIS A 56 8.823 -0.249 -4.711 1.00 0.00 C ATOM 864 O HIS A 56 7.653 0.133 -4.729 1.00 0.00 O ATOM 865 CB HIS A 56 9.656 1.951 -5.562 1.00 0.00 C ATOM 866 CG HIS A 56 10.381 2.660 -6.664 1.00 0.00 C ATOM 867 ND1 HIS A 56 11.754 2.776 -6.708 1.00 0.00 N ATOM 868 CD2 HIS A 56 9.916 3.289 -7.768 1.00 0.00 C ATOM 869 CE1 HIS A 56 12.102 3.448 -7.791 1.00 0.00 C ATOM 870 NE2 HIS A 56 11.005 3.771 -8.452 1.00 0.00 N ATOM 0 H HIS A 56 9.015 -0.191 -7.331 1.00 0.00 H new ATOM 0 HA HIS A 56 10.870 0.249 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.587 2.135 -5.665 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.962 2.375 -4.606 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.881 3.393 -8.058 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.112 3.692 -8.086 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.972 4.293 -9.328 1.00 0.00 H new ATOM 878 N PRO A 57 9.223 -1.291 -3.967 1.00 0.00 N ATOM 879 CA PRO A 57 8.305 -2.057 -3.119 1.00 0.00 C ATOM 880 C PRO A 57 7.824 -1.256 -1.914 1.00 0.00 C ATOM 881 O PRO A 57 8.628 -0.690 -1.174 1.00 0.00 O ATOM 882 CB PRO A 57 9.152 -3.249 -2.666 1.00 0.00 C ATOM 883 CG PRO A 57 10.559 -2.765 -2.744 1.00 0.00 C ATOM 884 CD PRO A 57 10.602 -1.801 -3.897 1.00 0.00 C ATOM 0 HA PRO A 57 7.397 -2.340 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.894 -3.555 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.995 -4.114 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.856 -2.277 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.249 -3.594 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.319 -0.998 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.895 -2.295 -4.823 1.00 0.00 H new ATOM 892 N MET A 58 6.510 -1.214 -1.723 1.00 0.00 N ATOM 893 CA MET A 58 5.923 -0.484 -0.606 1.00 0.00 C ATOM 894 C MET A 58 4.975 -1.376 0.190 1.00 0.00 C ATOM 895 O MET A 58 4.529 -2.414 -0.299 1.00 0.00 O ATOM 896 CB MET A 58 5.176 0.751 -1.112 1.00 0.00 C ATOM 897 CG MET A 58 4.653 1.644 0.001 1.00 0.00 C ATOM 898 SD MET A 58 5.976 2.389 0.974 1.00 0.00 S ATOM 899 CE MET A 58 6.578 3.630 -0.169 1.00 0.00 C ATOM 0 H MET A 58 5.831 -1.677 -2.327 1.00 0.00 H new ATOM 0 HA MET A 58 6.732 -0.166 0.052 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.842 1.332 -1.750 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.339 0.430 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.037 2.433 -0.431 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.009 1.060 0.658 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.146 4.383 0.377 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.221 3.159 -0.912 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.734 4.105 -0.669 1.00 0.00 H new ATOM 909 N ASP A 59 4.672 -0.964 1.416 1.00 0.00 N ATOM 910 CA ASP A 59 3.776 -1.726 2.278 1.00 0.00 C ATOM 911 C ASP A 59 3.050 -0.807 3.255 1.00 0.00 C ATOM 912 O ASP A 59 3.411 0.360 3.411 1.00 0.00 O ATOM 913 CB ASP A 59 4.558 -2.792 3.047 1.00 0.00 C ATOM 914 CG ASP A 59 5.641 -2.196 3.924 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.152 -1.109 3.580 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.978 -2.815 4.955 1.00 0.00 O ATOM 0 H ASP A 59 5.033 -0.107 1.835 1.00 0.00 H new ATOM 0 HA ASP A 59 3.034 -2.215 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.870 -3.368 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.009 -3.488 2.340 1.00 0.00 H new ATOM 921 N LEU A 60 2.024 -1.340 3.910 1.00 0.00 N ATOM 922 CA LEU A 60 1.246 -0.567 4.871 1.00 0.00 C ATOM 923 C LEU A 60 2.129 -0.067 6.010 1.00 0.00 C ATOM 924 O LEU A 60 2.043 1.093 6.412 1.00 0.00 O ATOM 925 CB LEU A 60 0.103 -1.415 5.431 1.00 0.00 C ATOM 926 CG LEU A 60 -1.094 -1.626 4.503 1.00 0.00 C ATOM 927 CD1 LEU A 60 -1.988 -2.738 5.028 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.882 -0.334 4.347 1.00 0.00 C ATOM 0 H LEU A 60 1.712 -2.304 3.793 1.00 0.00 H new ATOM 0 HA LEU A 60 0.829 0.297 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.502 -2.392 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.253 -0.948 6.349 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.721 -1.921 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.834 -2.873 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.419 -3.666 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.353 -2.473 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.730 -0.503 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.244 -0.008 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.238 0.436 3.923 1.00 0.00 H new ATOM 940 N SER A 61 2.978 -0.951 6.525 1.00 0.00 N ATOM 941 CA SER A 61 3.876 -0.600 7.619 1.00 0.00 C ATOM 942 C SER A 61 4.518 0.763 7.379 1.00 0.00 C ATOM 943 O SER A 61 4.691 1.554 8.308 1.00 0.00 O ATOM 944 CB SER A 61 4.961 -1.666 7.778 1.00 0.00 C ATOM 945 OG SER A 61 5.822 -1.360 8.862 1.00 0.00 O ATOM 0 H SER A 61 3.063 -1.915 6.202 1.00 0.00 H new ATOM 0 HA SER A 61 3.289 -0.549 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.498 -2.639 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.541 -1.739 6.858 1.00 0.00 H new ATOM 0 HG SER A 61 6.506 -2.057 8.944 1.00 0.00 H new ATOM 951 N THR A 62 4.870 1.032 6.126 1.00 0.00 N ATOM 952 CA THR A 62 5.494 2.298 5.762 1.00 0.00 C ATOM 953 C THR A 62 4.463 3.419 5.692 1.00 0.00 C ATOM 954 O THR A 62 4.687 4.515 6.205 1.00 0.00 O ATOM 955 CB THR A 62 6.220 2.198 4.407 1.00 0.00 C ATOM 956 OG1 THR A 62 7.189 1.144 4.448 1.00 0.00 O ATOM 957 CG2 THR A 62 6.906 3.511 4.062 1.00 0.00 C ATOM 0 H THR A 62 4.733 0.390 5.346 1.00 0.00 H new ATOM 0 HA THR A 62 6.223 2.526 6.540 1.00 0.00 H new ATOM 0 HB THR A 62 5.479 1.981 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.756 0.293 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.412 3.416 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.162 4.306 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.636 3.754 4.834 1.00 0.00 H new ATOM 965 N VAL A 63 3.332 3.137 5.053 1.00 0.00 N ATOM 966 CA VAL A 63 2.265 4.122 4.917 1.00 0.00 C ATOM 967 C VAL A 63 1.917 4.745 6.264 1.00 0.00 C ATOM 968 O VAL A 63 1.974 5.963 6.431 1.00 0.00 O ATOM 969 CB VAL A 63 0.995 3.493 4.312 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.124 4.521 4.234 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.293 2.912 2.938 1.00 0.00 C ATOM 0 H VAL A 63 3.131 2.235 4.621 1.00 0.00 H new ATOM 0 HA VAL A 63 2.634 4.897 4.246 1.00 0.00 H new ATOM 0 HB VAL A 63 0.666 2.682 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.013 4.059 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.353 4.886 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.191 5.355 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.386 2.472 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.646 3.704 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.061 2.144 3.027 1.00 0.00 H new ATOM 981 N LYS A 64 1.558 3.901 7.225 1.00 0.00 N ATOM 982 CA LYS A 64 1.202 4.367 8.560 1.00 0.00 C ATOM 983 C LYS A 64 2.298 5.259 9.135 1.00 0.00 C ATOM 984 O LYS A 64 2.039 6.391 9.543 1.00 0.00 O ATOM 985 CB LYS A 64 0.959 3.176 9.491 1.00 0.00 C ATOM 986 CG LYS A 64 0.397 3.569 10.846 1.00 0.00 C ATOM 987 CD LYS A 64 0.421 2.401 11.819 1.00 0.00 C ATOM 988 CE LYS A 64 -0.616 2.570 12.918 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.170 3.540 13.957 1.00 0.00 N ATOM 0 H LYS A 64 1.506 2.890 7.104 1.00 0.00 H new ATOM 0 HA LYS A 64 0.285 4.952 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.270 2.483 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.898 2.642 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.976 4.397 11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.627 3.924 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.233 1.473 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.413 2.316 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.555 2.911 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.813 1.604 13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.904 3.627 14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.713 3.202 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.007 4.468 13.518 1.00 0.00 H new ATOM 1003 N ARG A 65 3.522 4.742 9.162 1.00 0.00 N ATOM 1004 CA ARG A 65 4.656 5.492 9.686 1.00 0.00 C ATOM 1005 C ARG A 65 4.729 6.880 9.055 1.00 0.00 C ATOM 1006 O ARG A 65 4.791 7.890 9.756 1.00 0.00 O ATOM 1007 CB ARG A 65 5.960 4.734 9.428 1.00 0.00 C ATOM 1008 CG ARG A 65 6.102 3.469 10.258 1.00 0.00 C ATOM 1009 CD ARG A 65 6.468 3.786 11.700 1.00 0.00 C ATOM 1010 NE ARG A 65 7.767 4.445 11.803 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.507 4.443 12.906 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.078 3.819 13.994 1.00 0.00 N ATOM 1013 NH2 ARG A 65 9.679 5.065 12.922 1.00 0.00 N ATOM 0 H ARG A 65 3.753 3.807 8.827 1.00 0.00 H new ATOM 0 HA ARG A 65 4.517 5.607 10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.016 4.473 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.802 5.393 9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.167 2.910 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.868 2.829 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.701 4.426 12.136 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.482 2.864 12.281 1.00 0.00 H new ATOM 0 HE ARG A 65 8.126 4.934 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.178 3.339 13.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.648 3.819 14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.013 5.546 12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.246 5.063 13.770 1.00 0.00 H new ATOM 1027 N LYS A 66 4.722 6.921 7.727 1.00 0.00 N ATOM 1028 CA LYS A 66 4.787 8.183 7.000 1.00 0.00 C ATOM 1029 C LYS A 66 3.651 9.111 7.418 1.00 0.00 C ATOM 1030 O LYS A 66 3.879 10.267 7.772 1.00 0.00 O ATOM 1031 CB LYS A 66 4.724 7.930 5.492 1.00 0.00 C ATOM 1032 CG LYS A 66 5.920 7.165 4.953 1.00 0.00 C ATOM 1033 CD LYS A 66 5.930 7.142 3.434 1.00 0.00 C ATOM 1034 CE LYS A 66 6.682 8.335 2.863 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.530 8.431 1.385 1.00 0.00 N ATOM 0 H LYS A 66 4.672 6.094 7.132 1.00 0.00 H new ATOM 0 HA LYS A 66 5.734 8.665 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.815 7.374 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.652 8.887 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.840 7.623 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.901 6.144 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.393 6.218 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.905 7.145 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.315 9.251 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.739 8.252 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.454 8.286 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.865 7.702 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.165 9.372 1.134 1.00 0.00 H new ATOM 1049 N MET A 67 2.426 8.595 7.376 1.00 0.00 N ATOM 1050 CA MET A 67 1.255 9.378 7.754 1.00 0.00 C ATOM 1051 C MET A 67 1.394 9.913 9.176 1.00 0.00 C ATOM 1052 O MET A 67 1.050 11.062 9.453 1.00 0.00 O ATOM 1053 CB MET A 67 -0.012 8.528 7.638 1.00 0.00 C ATOM 1054 CG MET A 67 -1.285 9.285 7.979 1.00 0.00 C ATOM 1055 SD MET A 67 -1.519 10.749 6.953 1.00 0.00 S ATOM 1056 CE MET A 67 -3.168 10.458 6.318 1.00 0.00 C ATOM 0 H MET A 67 2.219 7.640 7.084 1.00 0.00 H new ATOM 0 HA MET A 67 1.180 10.225 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.089 8.143 6.621 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.077 7.666 8.299 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.141 8.621 7.859 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.257 9.582 9.027 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.264 10.912 5.332 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.344 9.385 6.242 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.901 10.899 6.993 1.00 0.00 H new ATOM 1066 N ASP A 68 1.899 9.073 10.072 1.00 0.00 N ATOM 1067 CA ASP A 68 2.084 9.462 11.465 1.00 0.00 C ATOM 1068 C ASP A 68 2.839 10.784 11.565 1.00 0.00 C ATOM 1069 O ASP A 68 2.454 11.674 12.322 1.00 0.00 O ATOM 1070 CB ASP A 68 2.840 8.371 12.226 1.00 0.00 C ATOM 1071 CG ASP A 68 1.909 7.349 12.849 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.713 7.665 13.024 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.376 6.234 13.164 1.00 0.00 O ATOM 0 H ASP A 68 2.188 8.118 9.859 1.00 0.00 H new ATOM 0 HA ASP A 68 1.099 9.592 11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.526 7.866 11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.446 8.830 13.007 1.00 0.00 H new ATOM 1078 N GLY A 69 3.916 10.904 10.795 1.00 0.00 N ATOM 1079 CA GLY A 69 4.708 12.120 10.813 1.00 0.00 C ATOM 1080 C GLY A 69 4.220 13.144 9.807 1.00 0.00 C ATOM 1081 O GLY A 69 5.003 13.950 9.302 1.00 0.00 O ATOM 0 H GLY A 69 4.254 10.181 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.679 12.554 11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.749 11.875 10.602 1.00 0.00 H new ATOM 1085 N ARG A 70 2.925 13.112 9.514 1.00 0.00 N ATOM 1086 CA ARG A 70 2.334 14.043 8.560 1.00 0.00 C ATOM 1087 C ARG A 70 3.218 14.189 7.324 1.00 0.00 C ATOM 1088 O ARG A 70 3.278 15.257 6.715 1.00 0.00 O ATOM 1089 CB ARG A 70 2.122 15.410 9.213 1.00 0.00 C ATOM 1090 CG ARG A 70 1.144 15.385 10.375 1.00 0.00 C ATOM 1091 CD ARG A 70 -0.152 14.684 9.998 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.101 13.251 10.277 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.326 12.728 11.477 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.617 13.515 12.503 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -0.262 11.414 11.652 1.00 0.00 N ATOM 0 H ARG A 70 2.264 12.451 9.923 1.00 0.00 H new ATOM 0 HA ARG A 70 1.369 13.643 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.082 15.788 9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.761 16.111 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.600 14.877 11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.928 16.405 10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.979 15.131 10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.353 14.840 8.938 1.00 0.00 H new ATOM 0 HE ARG A 70 0.119 12.618 9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.669 14.525 12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.789 13.110 13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.040 10.805 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.435 11.013 12.574 1.00 0.00 H new ATOM 1109 N GLU A 71 3.904 13.109 6.962 1.00 0.00 N ATOM 1110 CA GLU A 71 4.786 13.119 5.801 1.00 0.00 C ATOM 1111 C GLU A 71 4.030 13.549 4.547 1.00 0.00 C ATOM 1112 O GLU A 71 4.556 14.289 3.715 1.00 0.00 O ATOM 1113 CB GLU A 71 5.401 11.734 5.589 1.00 0.00 C ATOM 1114 CG GLU A 71 6.648 11.488 6.420 1.00 0.00 C ATOM 1115 CD GLU A 71 7.921 11.872 5.691 1.00 0.00 C ATOM 1116 OE1 GLU A 71 7.906 11.888 4.442 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.932 12.155 6.367 1.00 0.00 O ATOM 0 H GLU A 71 3.866 12.217 7.456 1.00 0.00 H new ATOM 0 HA GLU A 71 5.583 13.838 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.658 10.975 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.648 11.613 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.580 12.056 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.695 10.434 6.695 1.00 0.00 H new ATOM 1124 N TYR A 72 2.794 13.080 4.419 1.00 0.00 N ATOM 1125 CA TYR A 72 1.966 13.414 3.266 1.00 0.00 C ATOM 1126 C TYR A 72 1.376 14.814 3.405 1.00 0.00 C ATOM 1127 O TYR A 72 0.736 15.150 4.401 1.00 0.00 O ATOM 1128 CB TYR A 72 0.841 12.389 3.106 1.00 0.00 C ATOM 1129 CG TYR A 72 1.331 10.961 3.019 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.122 10.541 1.957 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.003 10.032 3.999 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.571 9.237 1.873 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.449 8.727 3.924 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.233 8.334 2.859 1.00 0.00 C ATOM 1135 OH TYR A 72 2.678 7.035 2.780 1.00 0.00 O ATOM 0 H TYR A 72 2.343 12.468 5.099 1.00 0.00 H new ATOM 0 HA TYR A 72 2.599 13.392 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.156 12.479 3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.272 12.624 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.391 11.246 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.389 10.336 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.184 8.926 1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.185 8.018 4.695 1.00 0.00 H new ATOM 0 HH TYR A 72 1.910 6.427 2.749 1.00 0.00 H new ATOM 1145 N PRO A 73 1.597 15.652 2.381 1.00 0.00 N ATOM 1146 CA PRO A 73 1.096 17.029 2.363 1.00 0.00 C ATOM 1147 C PRO A 73 -0.421 17.093 2.216 1.00 0.00 C ATOM 1148 O PRO A 73 -1.061 18.031 2.691 1.00 0.00 O ATOM 1149 CB PRO A 73 1.778 17.639 1.136 1.00 0.00 C ATOM 1150 CG PRO A 73 2.067 16.478 0.248 1.00 0.00 C ATOM 1151 CD PRO A 73 2.352 15.318 1.162 1.00 0.00 C ATOM 0 HA PRO A 73 1.313 17.553 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.130 18.364 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.693 18.164 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.219 16.263 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.920 16.684 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.020 14.374 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.418 15.218 1.364 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.989 16.089 1.557 1.00 0.00 N ATOM 1160 CA ASP A 74 -2.431 16.030 1.349 1.00 0.00 C ATOM 1161 C ASP A 74 -2.856 14.643 0.878 1.00 0.00 C ATOM 1162 O ASP A 74 -2.016 13.790 0.592 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.864 17.084 0.329 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.872 17.231 -0.808 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.725 17.647 -0.544 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -2.244 16.932 -1.962 1.00 0.00 O ATOM 0 H ASP A 74 -0.473 15.305 1.158 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.919 16.235 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.839 16.814 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.982 18.044 0.831 1.00 0.00 H new ATOM 1171 N ALA A 75 -4.165 14.425 0.800 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.701 13.142 0.362 1.00 0.00 C ATOM 1173 C ALA A 75 -3.888 12.574 -0.796 1.00 0.00 C ATOM 1174 O ALA A 75 -3.593 11.379 -0.831 1.00 0.00 O ATOM 1175 CB ALA A 75 -6.161 13.290 -0.038 1.00 0.00 C ATOM 0 H ALA A 75 -4.874 15.120 1.034 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.633 12.443 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.549 12.325 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.738 13.644 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.244 14.008 -0.854 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.529 13.437 -1.741 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.751 13.018 -2.901 1.00 0.00 C ATOM 1183 C GLN A 76 -1.570 12.150 -2.480 1.00 0.00 C ATOM 1184 O GLN A 76 -1.476 10.984 -2.862 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.251 14.240 -3.674 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.365 15.058 -4.306 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.015 14.351 -5.480 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.544 14.447 -6.614 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.101 13.637 -5.213 1.00 0.00 N ATOM 0 H GLN A 76 -3.764 14.429 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.400 12.428 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.681 14.878 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.566 13.910 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.123 15.276 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.963 16.015 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.456 13.586 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.581 13.139 -5.963 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.670 12.727 -1.690 1.00 0.00 N ATOM 1199 CA GLY A 77 0.494 11.991 -1.230 1.00 0.00 C ATOM 1200 C GLY A 77 0.126 10.672 -0.580 1.00 0.00 C ATOM 1201 O GLY A 77 0.694 9.630 -0.907 1.00 0.00 O ATOM 0 H GLY A 77 -0.726 13.691 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.159 11.804 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.048 12.602 -0.517 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.826 10.716 0.346 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.267 9.516 1.047 1.00 0.00 C ATOM 1207 C PHE A 78 -1.665 8.424 0.058 1.00 0.00 C ATOM 1208 O PHE A 78 -1.179 7.295 0.135 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.446 9.840 1.967 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.165 8.622 2.472 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.529 7.726 3.316 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.478 8.374 2.104 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.188 6.604 3.781 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.143 7.254 2.567 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.497 6.369 3.408 1.00 0.00 C ATOM 0 H PHE A 78 -1.307 11.570 0.628 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.435 9.152 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.084 10.417 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.153 10.472 1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.507 7.907 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.988 9.064 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.680 5.911 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.166 7.071 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.015 5.494 3.773 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.552 8.768 -0.870 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.014 7.819 -1.875 1.00 0.00 C ATOM 1227 C ALA A 79 -1.855 7.316 -2.729 1.00 0.00 C ATOM 1228 O ALA A 79 -1.730 6.118 -2.978 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.081 8.457 -2.752 1.00 0.00 C ATOM 0 H ALA A 79 -2.965 9.697 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.448 6.963 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.417 7.737 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.926 8.760 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.665 9.331 -3.253 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.011 8.240 -3.176 1.00 0.00 N ATOM 1236 CA ALA A 80 0.138 7.890 -4.001 1.00 0.00 C ATOM 1237 C ALA A 80 0.733 6.553 -3.574 1.00 0.00 C ATOM 1238 O ALA A 80 0.692 5.577 -4.324 1.00 0.00 O ATOM 1239 CB ALA A 80 1.192 8.985 -3.930 1.00 0.00 C ATOM 0 H ALA A 80 -1.102 9.237 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.202 7.794 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.045 8.710 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.768 9.922 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.520 9.108 -2.898 1.00 0.00 H new ATOM 1245 N ASP A 81 1.287 6.515 -2.367 1.00 0.00 N ATOM 1246 CA ASP A 81 1.890 5.296 -1.841 1.00 0.00 C ATOM 1247 C ASP A 81 0.903 4.135 -1.891 1.00 0.00 C ATOM 1248 O ASP A 81 1.161 3.114 -2.528 1.00 0.00 O ATOM 1249 CB ASP A 81 2.364 5.516 -0.403 1.00 0.00 C ATOM 1250 CG ASP A 81 3.514 6.501 -0.317 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.384 7.614 -0.867 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.545 6.157 0.300 1.00 0.00 O ATOM 0 H ASP A 81 1.331 7.314 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 81 2.748 5.047 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.532 5.880 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.673 4.562 0.024 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.230 4.298 -1.215 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.257 3.263 -1.182 1.00 0.00 C ATOM 1259 C VAL A 82 -1.305 2.495 -2.498 1.00 0.00 C ATOM 1260 O VAL A 82 -1.032 1.295 -2.539 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.648 3.861 -0.899 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.709 2.772 -0.903 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.645 4.610 0.425 1.00 0.00 C ATOM 0 H VAL A 82 -0.460 5.137 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.992 2.580 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.888 4.570 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.685 3.214 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.726 2.284 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.478 2.036 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.635 5.026 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.384 3.924 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.914 5.417 0.385 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.653 3.195 -3.573 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.737 2.578 -4.892 1.00 0.00 C ATOM 1275 C ARG A 83 -0.409 1.933 -5.276 1.00 0.00 C ATOM 1276 O ARG A 83 -0.377 0.831 -5.825 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.133 3.619 -5.940 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.633 3.851 -6.032 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.960 5.028 -6.938 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.607 4.762 -8.330 1.00 0.00 N ATOM 1281 CZ ARG A 83 -2.415 5.033 -8.850 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -1.466 5.573 -8.098 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -2.169 4.762 -10.126 1.00 0.00 N ATOM 0 H ARG A 83 -1.881 4.189 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.501 1.801 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.642 4.563 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.763 3.300 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.119 2.952 -6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.036 4.034 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.024 5.253 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.425 5.912 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.314 4.346 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.650 5.782 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.552 5.780 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.896 4.345 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.253 4.970 -10.524 1.00 0.00 H new ATOM 1297 N LEU A 84 0.686 2.627 -4.985 1.00 0.00 N ATOM 1298 CA LEU A 84 2.018 2.123 -5.301 1.00 0.00 C ATOM 1299 C LEU A 84 2.243 0.750 -4.675 1.00 0.00 C ATOM 1300 O LEU A 84 2.685 -0.183 -5.344 1.00 0.00 O ATOM 1301 CB LEU A 84 3.085 3.102 -4.809 1.00 0.00 C ATOM 1302 CG LEU A 84 4.534 2.732 -5.129 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.898 1.399 -4.495 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.752 2.687 -6.634 1.00 0.00 C ATOM 0 H LEU A 84 0.678 3.540 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 84 2.096 2.025 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.877 4.081 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.987 3.202 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 84 5.186 3.499 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.933 1.153 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.782 1.467 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.241 0.620 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.788 2.422 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.091 1.941 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.533 3.665 -7.063 1.00 0.00 H new ATOM 1316 N MET A 85 1.934 0.635 -3.387 1.00 0.00 N ATOM 1317 CA MET A 85 2.099 -0.625 -2.672 1.00 0.00 C ATOM 1318 C MET A 85 1.323 -1.745 -3.357 1.00 0.00 C ATOM 1319 O MET A 85 1.829 -2.855 -3.519 1.00 0.00 O ATOM 1320 CB MET A 85 1.633 -0.478 -1.222 1.00 0.00 C ATOM 1321 CG MET A 85 1.377 -1.806 -0.528 1.00 0.00 C ATOM 1322 SD MET A 85 0.497 -1.615 1.034 1.00 0.00 S ATOM 1323 CE MET A 85 -1.068 -0.956 0.463 1.00 0.00 C ATOM 0 H MET A 85 1.568 1.399 -2.818 1.00 0.00 H new ATOM 0 HA MET A 85 3.158 -0.883 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.386 0.076 -0.662 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.719 0.116 -1.201 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.799 -2.452 -1.189 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.328 -2.306 -0.346 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.886 -1.494 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.132 0.102 0.718 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.140 -1.074 -0.618 1.00 0.00 H new ATOM 1333 N PHE A 86 0.091 -1.447 -3.756 1.00 0.00 N ATOM 1334 CA PHE A 86 -0.755 -2.429 -4.423 1.00 0.00 C ATOM 1335 C PHE A 86 -0.188 -2.798 -5.791 1.00 0.00 C ATOM 1336 O PHE A 86 0.077 -3.966 -6.070 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.178 -1.887 -4.577 1.00 0.00 C ATOM 1338 CG PHE A 86 -2.969 -1.906 -3.300 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -3.343 -3.107 -2.719 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.338 -0.723 -2.681 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.070 -3.128 -1.544 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.065 -0.738 -1.506 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.432 -1.942 -0.937 1.00 0.00 C ATOM 0 H PHE A 86 -0.344 -0.533 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 86 -0.780 -3.327 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.130 -0.864 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.703 -2.476 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.063 -4.038 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.054 0.221 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.355 -4.071 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.346 0.191 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.001 -1.956 -0.019 1.00 0.00 H new ATOM 1353 N SER A 87 -0.005 -1.791 -6.639 1.00 0.00 N ATOM 1354 CA SER A 87 0.526 -2.008 -7.980 1.00 0.00 C ATOM 1355 C SER A 87 1.529 -3.158 -7.987 1.00 0.00 C ATOM 1356 O SER A 87 1.427 -4.079 -8.796 1.00 0.00 O ATOM 1357 CB SER A 87 1.192 -0.733 -8.500 1.00 0.00 C ATOM 1358 OG SER A 87 0.274 0.347 -8.527 1.00 0.00 O ATOM 0 H SER A 87 -0.216 -0.817 -6.421 1.00 0.00 H new ATOM 0 HA SER A 87 -0.305 -2.269 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.041 -0.477 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.584 -0.906 -9.502 1.00 0.00 H new ATOM 0 HG SER A 87 0.088 0.641 -7.611 1.00 0.00 H new ATOM 1364 N ASN A 88 2.497 -3.096 -7.079 1.00 0.00 N ATOM 1365 CA ASN A 88 3.520 -4.131 -6.980 1.00 0.00 C ATOM 1366 C ASN A 88 2.885 -5.511 -6.837 1.00 0.00 C ATOM 1367 O ASN A 88 3.265 -6.455 -7.531 1.00 0.00 O ATOM 1368 CB ASN A 88 4.441 -3.856 -5.790 1.00 0.00 C ATOM 1369 CG ASN A 88 5.097 -2.490 -5.870 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.272 -1.850 -4.719 1.00 0.00 O flip ATOM 1371 ND2 ASN A 88 5.441 -2.018 -6.953 1.00 0.00 N flip ATOM 0 H ASN A 88 2.595 -2.340 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 88 4.108 -4.114 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.867 -3.927 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.213 -4.625 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.286 -2.546 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.881 -1.099 -6.992 1.00 0.00 H new ATOM 1378 N CYS A 89 1.917 -5.620 -5.935 1.00 0.00 N ATOM 1379 CA CYS A 89 1.228 -6.884 -5.701 1.00 0.00 C ATOM 1380 C CYS A 89 1.130 -7.696 -6.988 1.00 0.00 C ATOM 1381 O CYS A 89 1.785 -8.729 -7.134 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.170 -6.631 -5.135 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.145 -8.132 -4.876 1.00 0.00 S ATOM 0 H CYS A 89 1.591 -4.848 -5.353 1.00 0.00 H new ATOM 0 HA CYS A 89 1.807 -7.455 -4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.076 -6.104 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.711 -5.972 -5.814 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.059 -8.220 -5.796 1.00 0.00 H new ATOM 1389 N TYR A 90 0.307 -7.224 -7.918 1.00 0.00 N ATOM 1390 CA TYR A 90 0.120 -7.909 -9.191 1.00 0.00 C ATOM 1391 C TYR A 90 1.386 -7.839 -10.039 1.00 0.00 C ATOM 1392 O TYR A 90 1.788 -8.823 -10.660 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.054 -7.295 -9.956 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.197 -6.863 -9.066 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.818 -7.765 -8.212 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.656 -5.551 -9.079 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.863 -7.374 -7.397 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.699 -5.151 -8.267 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.300 -6.067 -7.428 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.340 -5.673 -6.618 1.00 0.00 O ATOM 0 H TYR A 90 -0.241 -6.370 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.098 -8.956 -8.982 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.698 -6.433 -10.520 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.423 -8.020 -10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.478 -8.790 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.189 -4.832 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.335 -8.089 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.042 -4.127 -8.289 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.523 -4.721 -6.761 1.00 0.00 H new ATOM 1410 N LYS A 91 2.013 -6.667 -10.059 1.00 0.00 N ATOM 1411 CA LYS A 91 3.235 -6.465 -10.828 1.00 0.00 C ATOM 1412 C LYS A 91 4.133 -7.696 -10.754 1.00 0.00 C ATOM 1413 O LYS A 91 4.685 -8.135 -11.763 1.00 0.00 O ATOM 1414 CB LYS A 91 3.990 -5.238 -10.312 1.00 0.00 C ATOM 1415 CG LYS A 91 4.776 -4.510 -11.388 1.00 0.00 C ATOM 1416 CD LYS A 91 6.170 -5.092 -11.550 1.00 0.00 C ATOM 1417 CE LYS A 91 6.883 -4.504 -12.759 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.405 -5.108 -14.033 1.00 0.00 N ATOM 0 H LYS A 91 1.694 -5.842 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 91 2.957 -6.301 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.278 -4.546 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.674 -5.548 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.242 -4.574 -12.336 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.849 -3.453 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.754 -4.896 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.103 -6.175 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.723 -3.426 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.957 -4.665 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.915 -4.681 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.580 -6.133 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.385 -4.933 -14.139 1.00 0.00 H new ATOM 1432 N TYR A 92 4.275 -8.249 -9.554 1.00 0.00 N ATOM 1433 CA TYR A 92 5.107 -9.428 -9.349 1.00 0.00 C ATOM 1434 C TYR A 92 4.252 -10.689 -9.263 1.00 0.00 C ATOM 1435 O TYR A 92 4.262 -11.522 -10.168 1.00 0.00 O ATOM 1436 CB TYR A 92 5.940 -9.275 -8.076 1.00 0.00 C ATOM 1437 CG TYR A 92 6.862 -10.444 -7.811 1.00 0.00 C ATOM 1438 CD1 TYR A 92 8.063 -10.576 -8.497 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.531 -11.417 -6.876 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.908 -11.643 -8.259 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.371 -12.486 -6.631 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.558 -12.595 -7.325 1.00 0.00 C ATOM 1443 OH TYR A 92 9.396 -13.660 -7.084 1.00 0.00 O ATOM 0 H TYR A 92 3.824 -7.899 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 92 5.777 -9.522 -10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.534 -8.364 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.269 -9.152 -7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.341 -9.832 -9.229 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.602 -11.336 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.838 -11.731 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.100 -13.233 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 92 9.002 -14.237 -6.397 1.00 0.00 H new ATOM 1453 N ASN A 93 3.513 -10.821 -8.166 1.00 0.00 N ATOM 1454 CA ASN A 93 2.652 -11.980 -7.960 1.00 0.00 C ATOM 1455 C ASN A 93 1.878 -12.316 -9.231 1.00 0.00 C ATOM 1456 O ASN A 93 1.350 -11.439 -9.915 1.00 0.00 O ATOM 1457 CB ASN A 93 1.678 -11.719 -6.809 1.00 0.00 C ATOM 1458 CG ASN A 93 2.384 -11.271 -5.544 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.590 -11.464 -5.392 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.633 -10.670 -4.629 1.00 0.00 N ATOM 0 H ASN A 93 3.493 -10.140 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 93 3.284 -12.831 -7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.960 -10.956 -7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.111 -12.627 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.052 -10.347 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.637 -10.531 -4.798 1.00 0.00 H new ATOM 1467 N PRO A 94 1.806 -13.615 -9.554 1.00 0.00 N ATOM 1468 CA PRO A 94 1.097 -14.097 -10.744 1.00 0.00 C ATOM 1469 C PRO A 94 -0.415 -13.944 -10.619 1.00 0.00 C ATOM 1470 O PRO A 94 -0.954 -13.736 -9.532 1.00 0.00 O ATOM 1471 CB PRO A 94 1.481 -15.577 -10.810 1.00 0.00 C ATOM 1472 CG PRO A 94 1.812 -15.946 -9.405 1.00 0.00 C ATOM 1473 CD PRO A 94 2.411 -14.715 -8.784 1.00 0.00 C ATOM 0 HA PRO A 94 1.367 -13.532 -11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.660 -16.182 -11.195 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.332 -15.736 -11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.920 -16.261 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.514 -16.779 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.171 -14.643 -7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.498 -14.712 -8.866 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.117 -14.049 -11.757 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.577 -13.927 -11.800 1.00 0.00 C ATOM 1483 C PRO A 95 -3.278 -15.111 -11.143 1.00 0.00 C ATOM 1484 O PRO A 95 -4.507 -15.166 -11.091 1.00 0.00 O ATOM 1485 CB PRO A 95 -2.885 -13.888 -13.299 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.742 -14.597 -13.940 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.539 -14.297 -13.089 1.00 0.00 C ATOM 0 HA PRO A 95 -2.929 -13.051 -11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.831 -14.381 -13.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.967 -12.863 -13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.927 -15.670 -13.990 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.592 -14.251 -14.963 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.161 -15.132 -13.074 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.008 -13.429 -13.458 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.489 -16.056 -10.643 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.035 -17.239 -9.987 1.00 0.00 C ATOM 1497 C ASP A 96 -2.939 -17.112 -8.470 1.00 0.00 C ATOM 1498 O ASP A 96 -3.884 -17.434 -7.749 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.295 -18.493 -10.454 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.180 -18.570 -11.964 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -1.459 -17.733 -12.546 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -2.811 -19.466 -12.563 1.00 0.00 O ATOM 0 H ASP A 96 -1.470 -16.026 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.087 -17.324 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.297 -18.507 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.817 -19.377 -10.087 1.00 0.00 H new ATOM 1507 N HIS A 97 -1.792 -16.642 -7.992 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.573 -16.472 -6.559 1.00 0.00 C ATOM 1509 C HIS A 97 -2.840 -15.974 -5.871 1.00 0.00 C ATOM 1510 O HIS A 97 -3.338 -14.892 -6.178 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.424 -15.494 -6.310 1.00 0.00 C ATOM 1512 CG HIS A 97 0.187 -15.623 -4.948 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.476 -16.180 -3.875 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.408 -15.264 -4.489 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.310 -16.157 -2.814 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.460 -15.606 -3.160 1.00 0.00 N ATOM 0 H HIS A 97 -1.000 -16.372 -8.575 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.311 -17.443 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.348 -15.654 -7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -0.790 -14.476 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.195 -14.796 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.056 -16.526 -1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.257 -15.459 -2.541 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.355 -16.771 -4.940 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.565 -16.411 -4.211 1.00 0.00 C ATOM 1526 C GLU A 98 -4.448 -15.007 -3.624 1.00 0.00 C ATOM 1527 O GLU A 98 -5.405 -14.233 -3.641 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.834 -17.422 -3.094 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.005 -17.183 -1.844 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.305 -18.183 -0.744 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.373 -18.064 -0.109 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.471 -19.085 -0.520 1.00 0.00 O ATOM 0 H GLU A 98 -2.953 -17.670 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.399 -16.425 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.891 -17.387 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.632 -18.426 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.947 -17.236 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.194 -16.175 -1.475 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.267 -14.686 -3.104 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.023 -13.376 -2.512 1.00 0.00 C ATOM 1541 C VAL A 99 -3.527 -12.260 -3.420 1.00 0.00 C ATOM 1542 O VAL A 99 -3.976 -11.215 -2.948 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.525 -13.157 -2.231 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -0.813 -12.664 -3.482 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.336 -12.180 -1.080 1.00 0.00 C ATOM 0 H VAL A 99 -2.465 -15.315 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.570 -13.348 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.084 -14.111 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.244 -12.515 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.919 -13.403 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.254 -11.720 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.271 -12.037 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.791 -11.223 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.810 -12.579 -0.183 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.451 -12.488 -4.727 1.00 0.00 N ATOM 1556 CA VAL A 100 -3.901 -11.503 -5.703 1.00 0.00 C ATOM 1557 C VAL A 100 -5.366 -11.142 -5.484 1.00 0.00 C ATOM 1558 O VAL A 100 -5.735 -9.968 -5.494 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.719 -12.016 -7.144 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.455 -11.118 -8.127 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.242 -12.107 -7.494 1.00 0.00 C ATOM 0 H VAL A 100 -3.082 -13.347 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.286 -10.614 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.147 -13.016 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.315 -11.496 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.518 -11.110 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.060 -10.104 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.132 -12.471 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.787 -11.120 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.747 -12.795 -6.808 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.197 -12.160 -5.287 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.622 -11.951 -5.063 1.00 0.00 C ATOM 1573 C ALA A 101 -7.863 -11.087 -3.830 1.00 0.00 C ATOM 1574 O ALA A 101 -8.710 -10.194 -3.841 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.336 -13.287 -4.923 1.00 0.00 C ATOM 0 H ALA A 101 -5.908 -13.138 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.027 -11.425 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.399 -13.115 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.201 -13.869 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.920 -13.835 -4.078 1.00 0.00 H new ATOM 1581 N MET A 102 -7.113 -11.360 -2.767 1.00 0.00 N ATOM 1582 CA MET A 102 -7.246 -10.607 -1.525 1.00 0.00 C ATOM 1583 C MET A 102 -6.825 -9.154 -1.723 1.00 0.00 C ATOM 1584 O MET A 102 -7.486 -8.236 -1.238 1.00 0.00 O ATOM 1585 CB MET A 102 -6.403 -11.249 -0.422 1.00 0.00 C ATOM 1586 CG MET A 102 -6.771 -12.697 -0.140 1.00 0.00 C ATOM 1587 SD MET A 102 -6.443 -13.177 1.567 1.00 0.00 S ATOM 1588 CE MET A 102 -4.679 -12.884 1.668 1.00 0.00 C ATOM 0 H MET A 102 -6.408 -12.096 -2.741 1.00 0.00 H new ATOM 0 HA MET A 102 -8.295 -10.626 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.351 -11.198 -0.704 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.516 -10.669 0.494 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.828 -12.849 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.210 -13.348 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.171 -13.812 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.313 -12.530 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.478 -12.131 2.431 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.722 -8.954 -2.436 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.215 -7.613 -2.699 1.00 0.00 C ATOM 1600 C ALA A 103 -6.326 -6.692 -3.189 1.00 0.00 C ATOM 1601 O ALA A 103 -6.393 -5.524 -2.804 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.084 -7.666 -3.716 1.00 0.00 C ATOM 0 H ALA A 103 -5.162 -9.704 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.829 -7.208 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.715 -6.657 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.274 -8.283 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.452 -8.096 -4.648 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.198 -7.224 -4.040 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.306 -6.448 -4.584 1.00 0.00 C ATOM 1610 C ARG A 104 -9.304 -6.085 -3.489 1.00 0.00 C ATOM 1611 O ARG A 104 -9.579 -4.909 -3.249 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.010 -7.233 -5.692 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.072 -7.724 -6.782 1.00 0.00 C ATOM 1614 CD ARG A 104 -8.746 -8.753 -7.676 1.00 0.00 C ATOM 1615 NE ARG A 104 -8.197 -8.746 -9.029 1.00 0.00 N ATOM 1616 CZ ARG A 104 -8.845 -9.221 -10.087 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.058 -9.739 -9.949 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -8.279 -9.180 -11.287 1.00 0.00 N ATOM 0 H ARG A 104 -7.158 -8.189 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.901 -5.526 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.520 -8.089 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.777 -6.602 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.739 -6.879 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.183 -8.162 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.626 -9.745 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.816 -8.551 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.265 -8.355 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.496 -9.774 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.553 -10.103 -10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.346 -8.784 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.777 -9.545 -12.099 1.00 0.00 H new ATOM 1632 N LYS A 105 -9.845 -7.103 -2.827 1.00 0.00 N ATOM 1633 CA LYS A 105 -10.813 -6.892 -1.757 1.00 0.00 C ATOM 1634 C LYS A 105 -10.493 -5.621 -0.977 1.00 0.00 C ATOM 1635 O LYS A 105 -11.337 -4.734 -0.842 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.827 -8.095 -0.811 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.794 -9.188 -1.231 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.624 -10.438 -0.384 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.905 -11.258 -0.338 1.00 0.00 C ATOM 1640 NZ LYS A 105 -13.945 -10.615 0.513 1.00 0.00 N ATOM 0 H LYS A 105 -9.629 -8.082 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.799 -6.781 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.822 -8.513 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.089 -7.755 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.817 -8.824 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.633 -9.434 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.816 -11.046 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.334 -10.156 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.291 -11.385 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.685 -12.254 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.685 -11.309 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.510 -10.271 1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.368 -9.815 -0.000 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.270 -5.539 -0.465 1.00 0.00 N ATOM 1655 CA LEU A 106 -8.838 -4.375 0.301 1.00 0.00 C ATOM 1656 C LEU A 106 -8.945 -3.103 -0.534 1.00 0.00 C ATOM 1657 O LEU A 106 -9.530 -2.112 -0.099 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.399 -4.563 0.783 1.00 0.00 C ATOM 1659 CG LEU A 106 -6.893 -3.539 1.800 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.608 -3.710 3.131 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.387 -3.667 1.981 1.00 0.00 C ATOM 0 H LEU A 106 -8.560 -6.264 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.494 -4.276 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.311 -5.556 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.740 -4.539 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.110 -2.541 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.235 -2.973 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.679 -3.568 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.423 -4.712 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.044 -2.931 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.147 -4.669 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.890 -3.493 1.027 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.378 -3.141 -1.735 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.412 -1.991 -2.632 1.00 0.00 C ATOM 1675 C GLN A 107 -9.844 -1.519 -2.859 1.00 0.00 C ATOM 1676 O GLN A 107 -10.106 -0.320 -2.952 1.00 0.00 O ATOM 1677 CB GLN A 107 -7.759 -2.342 -3.970 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.891 -1.247 -5.016 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.378 -1.675 -6.377 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.369 -2.863 -6.704 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.948 -0.709 -7.179 1.00 0.00 N ATOM 0 H GLN A 107 -7.890 -3.954 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.853 -1.181 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.702 -2.551 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.208 -3.257 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.938 -0.956 -5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.341 -0.366 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.974 0.262 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.592 -0.937 -8.107 1.00 0.00 H new ATOM 1690 N ASP A 108 -10.768 -2.470 -2.948 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.175 -2.152 -3.163 1.00 0.00 C ATOM 1692 C ASP A 108 -12.701 -1.240 -2.059 1.00 0.00 C ATOM 1693 O ASP A 108 -13.592 -0.422 -2.288 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.006 -3.434 -3.223 1.00 0.00 C ATOM 1695 CG ASP A 108 -13.125 -3.982 -4.631 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -13.870 -3.388 -5.439 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -12.473 -5.005 -4.927 1.00 0.00 O ATOM 0 H ASP A 108 -10.568 -3.467 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.262 -1.627 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.552 -4.188 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.002 -3.236 -2.828 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.145 -1.388 -0.861 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.558 -0.578 0.279 1.00 0.00 C ATOM 1704 C VAL A 109 -11.891 0.793 0.249 1.00 0.00 C ATOM 1705 O VAL A 109 -12.538 1.815 0.481 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.221 -1.272 1.612 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.602 -0.385 2.787 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -12.920 -2.620 1.702 1.00 0.00 C ATOM 0 H VAL A 109 -11.407 -2.061 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.639 -0.455 0.205 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.145 -1.443 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.357 -0.892 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.051 0.554 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.672 -0.180 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.671 -3.097 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.999 -2.475 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.592 -3.256 0.879 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.594 0.808 -0.037 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.838 2.053 -0.097 1.00 0.00 C ATOM 1720 C PHE A 110 -10.286 2.905 -1.281 1.00 0.00 C ATOM 1721 O PHE A 110 -10.136 4.126 -1.272 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.340 1.762 -0.202 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.530 2.940 -0.660 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.526 3.319 -1.993 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -6.773 3.670 0.242 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.782 4.403 -2.418 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.027 4.756 -0.177 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.031 5.122 -1.509 1.00 0.00 C ATOM 0 H PHE A 110 -10.044 -0.029 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.029 2.608 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -7.973 1.435 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.187 0.935 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.111 2.760 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.766 3.387 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.788 4.688 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.442 5.318 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.448 5.969 -1.839 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.835 2.250 -2.299 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.304 2.947 -3.491 1.00 0.00 C ATOM 1740 C GLU A 111 -12.639 3.638 -3.229 1.00 0.00 C ATOM 1741 O GLU A 111 -12.718 4.865 -3.189 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.444 1.969 -4.659 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.175 1.814 -5.480 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.456 1.479 -6.932 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.515 1.900 -7.442 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.618 0.797 -7.557 1.00 0.00 O ATOM 0 H GLU A 111 -10.966 1.239 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.566 3.707 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.737 0.993 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.249 2.308 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.599 2.738 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.558 1.029 -5.043 1.00 0.00 H new ATOM 1753 N MET A 112 -13.686 2.839 -3.051 1.00 0.00 N ATOM 1754 CA MET A 112 -15.018 3.373 -2.791 1.00 0.00 C ATOM 1755 C MET A 112 -14.972 4.447 -1.709 1.00 0.00 C ATOM 1756 O MET A 112 -15.667 5.459 -1.796 1.00 0.00 O ATOM 1757 CB MET A 112 -15.969 2.250 -2.372 1.00 0.00 C ATOM 1758 CG MET A 112 -15.638 1.649 -1.015 1.00 0.00 C ATOM 1759 SD MET A 112 -16.373 2.568 0.350 1.00 0.00 S ATOM 1760 CE MET A 112 -18.114 2.247 0.076 1.00 0.00 C ATOM 0 H MET A 112 -13.638 1.821 -3.082 1.00 0.00 H new ATOM 0 HA MET A 112 -15.386 3.826 -3.712 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.988 2.637 -2.350 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.943 1.463 -3.125 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.989 0.617 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.556 1.622 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.649 2.310 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.516 2.986 -0.617 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.238 1.250 -0.346 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.151 4.218 -0.690 1.00 0.00 N ATOM 1771 CA ARG A 113 -14.016 5.166 0.410 1.00 0.00 C ATOM 1772 C ARG A 113 -13.604 6.542 -0.105 1.00 0.00 C ATOM 1773 O ARG A 113 -14.303 7.532 0.112 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.988 4.660 1.424 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.535 3.607 2.373 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.310 4.238 3.519 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.456 3.324 4.649 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.426 3.422 5.552 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.330 4.387 5.457 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -15.493 2.552 6.552 1.00 0.00 N ATOM 0 H ARG A 113 -13.569 3.385 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.986 5.256 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.135 4.245 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.618 5.504 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.185 2.924 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.713 3.013 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.798 5.143 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.296 4.540 3.167 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.777 2.570 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.282 5.057 4.689 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.073 4.460 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.800 1.808 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.238 2.628 7.245 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.465 6.596 -0.787 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.959 7.851 -1.331 1.00 0.00 C ATOM 1796 C PHE A 114 -13.055 8.598 -2.085 1.00 0.00 C ATOM 1797 O PHE A 114 -13.205 9.811 -1.942 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.774 7.586 -2.262 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.824 8.745 -2.368 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -10.264 9.979 -2.819 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.492 8.600 -2.016 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -9.391 11.046 -2.918 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.615 9.664 -2.113 1.00 0.00 C ATOM 1804 CZ PHE A 114 -8.066 10.889 -2.563 1.00 0.00 C ATOM 0 H PHE A 114 -11.875 5.786 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.627 8.472 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.230 6.712 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.150 7.343 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.300 10.108 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.135 7.644 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.745 12.002 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.579 9.537 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.384 11.723 -2.637 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.818 7.864 -2.888 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.901 8.455 -3.664 1.00 0.00 C ATOM 1816 C ALA A 115 -15.936 9.107 -2.753 1.00 0.00 C ATOM 1817 O ALA A 115 -16.309 10.264 -2.947 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.558 7.401 -4.543 1.00 0.00 C ATOM 0 H ALA A 115 -13.706 6.859 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.476 9.230 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.365 7.857 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.818 6.984 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.962 6.606 -3.917 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.398 8.356 -1.759 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.391 8.860 -0.816 1.00 0.00 C ATOM 1826 C LYS A 116 -17.039 10.272 -0.358 1.00 0.00 C ATOM 1827 O LYS A 116 -17.897 11.152 -0.316 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.492 7.930 0.395 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.866 6.502 0.036 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.369 6.286 0.102 1.00 0.00 C ATOM 1831 CE LYS A 116 -20.056 6.753 -1.173 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.502 8.170 -1.076 1.00 0.00 N ATOM 0 H LYS A 116 -16.101 7.396 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.355 8.891 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.537 7.925 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.234 8.328 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.508 6.273 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.368 5.812 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.579 5.229 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.778 6.826 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.372 6.644 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.916 6.115 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.528 8.200 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.010 8.636 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.280 8.665 -1.963 1.00 0.00 H new ATOM 1846 N MET A 117 -15.771 10.480 -0.018 1.00 0.00 N ATOM 1847 CA MET A 117 -15.306 11.786 0.434 1.00 0.00 C ATOM 1848 C MET A 117 -15.325 12.795 -0.710 1.00 0.00 C ATOM 1849 O MET A 117 -16.193 13.667 -0.768 1.00 0.00 O ATOM 1850 CB MET A 117 -13.893 11.677 1.010 1.00 0.00 C ATOM 1851 CG MET A 117 -13.415 12.948 1.693 1.00 0.00 C ATOM 1852 SD MET A 117 -12.557 14.062 0.564 1.00 0.00 S ATOM 1853 CE MET A 117 -11.187 13.031 0.048 1.00 0.00 C ATOM 0 H MET A 117 -15.048 9.761 -0.047 1.00 0.00 H new ATOM 0 HA MET A 117 -15.982 12.135 1.214 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.864 10.856 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 117 -13.201 11.423 0.207 1.00 0.00 H new ATOM 0 HG2 MET A 117 -14.270 13.466 2.128 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.749 12.686 2.515 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.327 13.659 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.927 12.342 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.472 12.464 -0.838 1.00 0.00 H new