USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 727 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 75 HIS : no HD1:sc= 0.111 K(o=0.57,f=-0.032) USER MOD Set 1.2: A 79 THR OG1 : rot 165:sc= 0.461 USER MOD Single : A 11 MET CE :methyl 159:sc= -0.439 (180deg=-1.4) USER MOD Single : A 23 GLN : amide:sc= -0.0081 X(o=-0.0081,f=0) USER MOD Single : A 25 CYS SG : rot 57:sc= -0.111 USER MOD Single : A 27 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.44) USER MOD Single : A 35 GLN : amide:sc= -0.945 K(o=-0.95,f=-2.6!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.457 F(o=-2.3,f=-0.46) USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.38) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00215 X(o=-0.0021,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.299 (180deg=-1.04) USER MOD Single : A 56 GLN : amide:sc= -0.0577 K(o=-0.058,f=-1.2) USER MOD Single : A 60 SER OG : rot 130:sc= 0 USER MOD Single : A 62 SER OG : rot 115:sc= 0.284 USER MOD Single : A 63 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= -0.0902 K(o=-0.09,f=-1.9!) USER MOD Single : A 72 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.5!) USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 78 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.039) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.011) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 173:sc=-0.00856 (180deg=-0.0322) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N MET A 11 8.545 8.424 -6.297 1.00 0.77 N ATOM 145 CA MET A 11 7.489 8.382 -7.304 1.00 0.68 C ATOM 146 C MET A 11 6.139 8.059 -6.670 1.00 0.61 C ATOM 147 O MET A 11 5.981 7.031 -6.009 1.00 0.63 O ATOM 148 CB MET A 11 7.822 7.346 -8.381 1.00 0.70 C ATOM 149 CG MET A 11 8.219 5.990 -7.821 1.00 0.72 C ATOM 150 SD MET A 11 8.326 4.717 -9.093 1.00 1.23 S ATOM 151 CE MET A 11 7.113 3.542 -8.499 1.00 0.74 C ATOM 0 HA MET A 11 7.424 9.368 -7.765 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.957 7.221 -9.033 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.635 7.726 -9.000 1.00 0.70 H new ATOM 0 HG2 MET A 11 9.182 6.077 -7.318 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.492 5.685 -7.068 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.788 2.907 -9.323 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.557 2.925 -7.718 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.255 4.078 -8.094 1.00 0.74 H new ATOM 161 N ALA A 12 5.170 8.948 -6.873 1.00 0.57 N ATOM 162 CA ALA A 12 3.827 8.763 -6.332 1.00 0.56 C ATOM 163 C ALA A 12 3.266 7.400 -6.707 1.00 0.48 C ATOM 164 O ALA A 12 3.781 6.725 -7.598 1.00 0.46 O ATOM 165 CB ALA A 12 2.907 9.870 -6.822 1.00 0.62 C ATOM 0 H ALA A 12 5.291 9.807 -7.410 1.00 0.57 H new ATOM 0 HA ALA A 12 3.889 8.811 -5.245 1.00 0.56 H new ATOM 0 HB1 ALA A 12 1.908 9.721 -6.412 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.293 10.835 -6.495 1.00 0.62 H new ATOM 0 HB3 ALA A 12 2.859 9.848 -7.911 1.00 0.62 H new ATOM 171 N ILE A 13 2.208 7.001 -6.014 1.00 0.46 N ATOM 172 CA ILE A 13 1.566 5.722 -6.264 1.00 0.44 C ATOM 173 C ILE A 13 1.094 5.631 -7.715 1.00 0.43 C ATOM 174 O ILE A 13 0.942 4.538 -8.262 1.00 0.45 O ATOM 175 CB ILE A 13 0.388 5.508 -5.284 1.00 0.48 C ATOM 176 CG1 ILE A 13 0.766 4.466 -4.230 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.887 5.091 -6.008 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.602 4.959 -2.809 1.00 0.58 C ATOM 0 H ILE A 13 1.776 7.550 -5.271 1.00 0.46 H new ATOM 0 HA ILE A 13 2.295 4.929 -6.097 1.00 0.44 H new ATOM 0 HB ILE A 13 0.187 6.461 -4.795 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.150 3.578 -4.371 1.00 0.65 H new ATOM 0 HG13 ILE A 13 1.802 4.164 -4.384 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.688 4.952 -5.282 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.172 5.867 -6.719 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.714 4.156 -6.541 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.888 4.169 -2.115 1.00 0.58 H new ATOM 0 HD12 ILE A 13 1.238 5.830 -2.650 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.439 5.234 -2.637 1.00 0.58 H new ATOM 190 N ARG A 14 0.871 6.789 -8.334 1.00 0.47 N ATOM 191 CA ARG A 14 0.433 6.842 -9.724 1.00 0.53 C ATOM 192 C ARG A 14 1.412 6.085 -10.614 1.00 0.51 C ATOM 193 O ARG A 14 1.028 5.512 -11.634 1.00 0.66 O ATOM 194 CB ARG A 14 0.314 8.295 -10.190 1.00 0.62 C ATOM 195 CG ARG A 14 -0.410 8.450 -11.516 1.00 1.28 C ATOM 196 CD ARG A 14 0.556 8.783 -12.642 1.00 1.42 C ATOM 197 NE ARG A 14 0.080 8.291 -13.933 1.00 1.82 N ATOM 198 CZ ARG A 14 -0.656 9.012 -14.772 1.00 2.23 C ATOM 199 NH1 ARG A 14 -0.998 10.256 -14.461 1.00 2.63 N ATOM 200 NH2 ARG A 14 -1.052 8.491 -15.926 1.00 2.82 N ATOM 0 H ARG A 14 0.987 7.702 -7.894 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.547 6.370 -9.797 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.213 8.870 -9.428 1.00 0.62 H new ATOM 0 HB3 ARG A 14 1.313 8.723 -10.279 1.00 0.62 H new ATOM 0 HG2 ARG A 14 -0.941 7.528 -11.752 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -1.159 9.237 -11.433 1.00 1.28 H new ATOM 0 HD2 ARG A 14 0.694 9.863 -12.694 1.00 1.42 H new ATOM 0 HD3 ARG A 14 1.531 8.347 -12.425 1.00 1.42 H new ATOM 0 HE ARG A 14 0.327 7.340 -14.206 1.00 1.82 H new ATOM 0 HH11 ARG A 14 -0.696 10.662 -13.575 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -1.563 10.806 -15.108 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.792 7.536 -16.170 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -1.617 9.046 -16.569 1.00 2.82 H new ATOM 214 N LEU A 15 2.681 6.091 -10.216 1.00 0.43 N ATOM 215 CA LEU A 15 3.722 5.396 -10.954 1.00 0.46 C ATOM 216 C LEU A 15 3.638 3.903 -10.671 1.00 0.42 C ATOM 217 O LEU A 15 3.825 3.079 -11.565 1.00 0.44 O ATOM 218 CB LEU A 15 5.103 5.931 -10.560 1.00 0.54 C ATOM 219 CG LEU A 15 6.066 6.191 -11.722 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.379 4.897 -12.460 1.00 1.44 C ATOM 221 CD2 LEU A 15 5.489 7.228 -12.676 1.00 1.51 C ATOM 0 H LEU A 15 3.011 6.574 -9.380 1.00 0.43 H new ATOM 0 HA LEU A 15 3.577 5.568 -12.020 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.969 6.861 -10.007 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.568 5.219 -9.878 1.00 0.54 H new ATOM 0 HG LEU A 15 6.997 6.584 -11.313 1.00 0.64 H new ATOM 0 HD11 LEU A 15 7.065 5.104 -13.282 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.840 4.188 -11.772 1.00 1.44 H new ATOM 0 HD13 LEU A 15 5.457 4.471 -12.855 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.188 7.398 -13.494 1.00 1.51 H new ATOM 0 HD22 LEU A 15 4.542 6.866 -13.077 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.323 8.163 -12.140 1.00 1.51 H new ATOM 233 N LEU A 16 3.355 3.570 -9.411 1.00 0.38 N ATOM 234 CA LEU A 16 3.222 2.181 -8.991 1.00 0.38 C ATOM 235 C LEU A 16 2.223 1.450 -9.886 1.00 0.36 C ATOM 236 O LEU A 16 1.017 1.675 -9.785 1.00 0.35 O ATOM 237 CB LEU A 16 2.761 2.109 -7.531 1.00 0.39 C ATOM 238 CG LEU A 16 3.371 0.975 -6.700 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.972 -0.382 -7.264 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.886 1.107 -6.643 1.00 0.93 C ATOM 0 H LEU A 16 3.214 4.249 -8.663 1.00 0.38 H new ATOM 0 HA LEU A 16 4.196 1.699 -9.079 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.996 3.057 -7.047 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.676 2.004 -7.516 1.00 0.39 H new ATOM 0 HG LEU A 16 2.982 1.050 -5.685 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.416 -1.172 -6.659 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.886 -0.478 -7.247 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.328 -0.468 -8.291 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.300 0.293 -6.049 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.293 1.062 -7.653 1.00 0.93 H new ATOM 0 HD23 LEU A 16 5.151 2.061 -6.187 1.00 0.93 H new ATOM 252 N PRO A 17 2.706 0.564 -10.777 1.00 0.38 N ATOM 253 CA PRO A 17 1.838 -0.185 -11.692 1.00 0.40 C ATOM 254 C PRO A 17 0.825 -1.048 -10.948 1.00 0.35 C ATOM 255 O PRO A 17 1.160 -2.115 -10.435 1.00 0.35 O ATOM 256 CB PRO A 17 2.821 -1.054 -12.487 1.00 0.46 C ATOM 257 CG PRO A 17 4.128 -0.353 -12.352 1.00 0.48 C ATOM 258 CD PRO A 17 4.126 0.217 -10.969 1.00 0.43 C ATOM 0 HA PRO A 17 1.237 0.473 -12.320 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.870 -2.067 -12.086 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.522 -1.139 -13.532 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.961 -1.042 -12.493 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.233 0.432 -13.101 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.472 -0.506 -10.230 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.773 1.090 -10.888 1.00 0.43 H new ATOM 266 N LEU A 18 -0.417 -0.570 -10.894 1.00 0.40 N ATOM 267 CA LEU A 18 -1.491 -1.285 -10.212 1.00 0.41 C ATOM 268 C LEU A 18 -1.633 -2.724 -10.720 1.00 0.36 C ATOM 269 O LEU A 18 -1.714 -3.652 -9.917 1.00 0.37 O ATOM 270 CB LEU A 18 -2.818 -0.539 -10.374 1.00 0.51 C ATOM 271 CG LEU A 18 -3.452 -0.057 -9.067 1.00 0.76 C ATOM 272 CD1 LEU A 18 -3.930 1.379 -9.204 1.00 1.36 C ATOM 273 CD2 LEU A 18 -4.602 -0.969 -8.666 1.00 1.64 C ATOM 0 H LEU A 18 -0.704 0.313 -11.317 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.230 -1.330 -9.155 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -2.656 0.323 -11.022 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.525 -1.193 -10.884 1.00 0.51 H new ATOM 0 HG LEU A 18 -2.696 -0.092 -8.283 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -4.378 1.705 -8.265 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -3.084 2.023 -9.445 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -4.672 1.441 -10.000 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -5.042 -0.612 -7.735 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.360 -0.965 -9.450 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -4.230 -1.984 -8.526 1.00 1.64 H new ATOM 285 N PRO A 19 -1.672 -2.939 -12.057 1.00 0.36 N ATOM 286 CA PRO A 19 -1.804 -4.284 -12.630 1.00 0.41 C ATOM 287 C PRO A 19 -0.855 -5.287 -11.984 1.00 0.39 C ATOM 288 O PRO A 19 -1.180 -6.468 -11.851 1.00 0.44 O ATOM 289 CB PRO A 19 -1.445 -4.074 -14.100 1.00 0.49 C ATOM 290 CG PRO A 19 -1.842 -2.667 -14.383 1.00 0.59 C ATOM 291 CD PRO A 19 -1.599 -1.901 -13.110 1.00 0.40 C ATOM 0 HA PRO A 19 -2.799 -4.700 -12.474 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.380 -4.229 -14.275 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -1.979 -4.774 -14.743 1.00 0.49 H new ATOM 0 HG2 PRO A 19 -1.256 -2.254 -15.204 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -2.890 -2.609 -14.679 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.627 -1.407 -13.119 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.350 -1.125 -12.960 1.00 0.40 H new ATOM 299 N VAL A 20 0.320 -4.811 -11.586 1.00 0.38 N ATOM 300 CA VAL A 20 1.316 -5.662 -10.945 1.00 0.44 C ATOM 301 C VAL A 20 1.078 -5.730 -9.442 1.00 0.42 C ATOM 302 O VAL A 20 1.166 -6.797 -8.835 1.00 0.46 O ATOM 303 CB VAL A 20 2.744 -5.150 -11.208 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.772 -6.194 -10.801 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.909 -4.768 -12.670 1.00 0.56 C ATOM 0 H VAL A 20 0.606 -3.838 -11.696 1.00 0.38 H new ATOM 0 HA VAL A 20 1.215 -6.658 -11.375 1.00 0.44 H new ATOM 0 HB VAL A 20 2.910 -4.260 -10.601 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.774 -5.812 -10.995 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.667 -6.414 -9.739 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.613 -7.105 -11.377 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.924 -4.408 -12.840 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.724 -5.640 -13.297 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.198 -3.982 -12.923 1.00 0.56 H new ATOM 315 N ARG A 21 0.777 -4.578 -8.850 1.00 0.42 N ATOM 316 CA ARG A 21 0.511 -4.493 -7.418 1.00 0.46 C ATOM 317 C ARG A 21 -0.680 -5.363 -7.043 1.00 0.39 C ATOM 318 O ARG A 21 -0.856 -5.730 -5.881 1.00 0.38 O ATOM 319 CB ARG A 21 0.226 -3.045 -7.023 1.00 0.54 C ATOM 320 CG ARG A 21 0.739 -2.679 -5.641 1.00 1.17 C ATOM 321 CD ARG A 21 -0.131 -1.620 -4.983 1.00 0.77 C ATOM 322 NE ARG A 21 0.047 -1.590 -3.535 1.00 1.75 N ATOM 323 CZ ARG A 21 -0.832 -2.093 -2.672 1.00 2.57 C ATOM 324 NH1 ARG A 21 -1.950 -2.658 -3.110 1.00 2.82 N ATOM 325 NH2 ARG A 21 -0.594 -2.031 -1.369 1.00 3.62 N ATOM 0 H ARG A 21 0.711 -3.687 -9.342 1.00 0.42 H new ATOM 0 HA ARG A 21 1.392 -4.849 -6.884 1.00 0.46 H new ATOM 0 HB2 ARG A 21 0.681 -2.381 -7.758 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -0.850 -2.872 -7.060 1.00 0.54 H new ATOM 0 HG2 ARG A 21 0.765 -3.570 -5.014 1.00 1.17 H new ATOM 0 HG3 ARG A 21 1.763 -2.313 -5.717 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.111 -0.642 -5.399 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -1.178 -1.815 -5.216 1.00 0.77 H new ATOM 0 HE ARG A 21 0.893 -1.159 -3.163 1.00 1.75 H new ATOM 0 HH11 ARG A 21 -2.138 -2.708 -4.111 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -2.621 -3.043 -2.445 1.00 2.82 H new ATOM 0 HH21 ARG A 21 0.264 -1.597 -1.027 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -1.269 -2.417 -0.708 1.00 3.62 H new ATOM 339 N ALA A 22 -1.495 -5.680 -8.040 1.00 0.40 N ATOM 340 CA ALA A 22 -2.681 -6.499 -7.837 1.00 0.40 C ATOM 341 C ALA A 22 -2.328 -7.846 -7.216 1.00 0.35 C ATOM 342 O ALA A 22 -3.168 -8.489 -6.586 1.00 0.37 O ATOM 343 CB ALA A 22 -3.403 -6.694 -9.157 1.00 0.48 C ATOM 0 H ALA A 22 -1.354 -5.379 -9.004 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.340 -5.980 -7.141 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.290 -7.308 -8.999 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -3.699 -5.724 -9.556 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -2.739 -7.191 -9.865 1.00 0.48 H new ATOM 349 N GLN A 23 -1.082 -8.267 -7.398 1.00 0.36 N ATOM 350 CA GLN A 23 -0.618 -9.534 -6.849 1.00 0.39 C ATOM 351 C GLN A 23 -0.581 -9.471 -5.325 1.00 0.34 C ATOM 352 O GLN A 23 -0.841 -10.464 -4.645 1.00 0.42 O ATOM 353 CB GLN A 23 0.769 -9.870 -7.398 1.00 0.49 C ATOM 354 CG GLN A 23 1.400 -11.099 -6.762 1.00 0.96 C ATOM 355 CD GLN A 23 2.375 -11.800 -7.689 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.297 -13.013 -7.886 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.299 -11.038 -8.262 1.00 2.10 N ATOM 0 H GLN A 23 -0.376 -7.749 -7.921 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.313 -10.319 -7.147 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.695 -10.027 -8.474 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.427 -9.015 -7.245 1.00 0.49 H new ATOM 0 HG2 GLN A 23 1.919 -10.805 -5.850 1.00 0.96 H new ATOM 0 HG3 GLN A 23 0.615 -11.797 -6.472 1.00 0.96 H new ATOM 0 HE21 GLN A 23 3.326 -10.037 -8.069 1.00 2.10 H new ATOM 0 HE22 GLN A 23 3.982 -11.454 -8.895 1.00 2.10 H new ATOM 366 N LEU A 24 -0.257 -8.294 -4.797 1.00 0.29 N ATOM 367 CA LEU A 24 -0.193 -8.095 -3.355 1.00 0.30 C ATOM 368 C LEU A 24 -1.591 -7.905 -2.778 1.00 0.30 C ATOM 369 O LEU A 24 -1.871 -8.331 -1.659 1.00 0.31 O ATOM 370 CB LEU A 24 0.678 -6.881 -3.019 1.00 0.38 C ATOM 371 CG LEU A 24 0.931 -6.650 -1.527 1.00 0.43 C ATOM 372 CD1 LEU A 24 1.649 -7.839 -0.906 1.00 1.51 C ATOM 373 CD2 LEU A 24 1.733 -5.376 -1.318 1.00 1.40 C ATOM 0 H LEU A 24 -0.035 -7.464 -5.347 1.00 0.29 H new ATOM 0 HA LEU A 24 0.254 -8.984 -2.909 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.639 -6.994 -3.520 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.206 -5.990 -3.433 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.034 -6.541 -1.031 1.00 0.43 H new ATOM 0 HD11 LEU A 24 1.817 -7.650 0.154 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.038 -8.734 -1.022 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.607 -7.986 -1.404 1.00 1.51 H new ATOM 0 HD21 LEU A 24 1.905 -5.225 -0.252 1.00 1.40 H new ATOM 0 HD22 LEU A 24 2.691 -5.460 -1.832 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.179 -4.527 -1.720 1.00 1.40 H new ATOM 385 N CYS A 25 -2.466 -7.267 -3.551 1.00 0.34 N ATOM 386 CA CYS A 25 -3.836 -7.034 -3.113 1.00 0.39 C ATOM 387 C CYS A 25 -4.536 -8.361 -2.849 1.00 0.39 C ATOM 388 O CYS A 25 -5.166 -8.550 -1.809 1.00 0.42 O ATOM 389 CB CYS A 25 -4.607 -6.233 -4.166 1.00 0.47 C ATOM 390 SG CYS A 25 -3.740 -4.759 -4.752 1.00 0.55 S ATOM 0 H CYS A 25 -2.251 -6.904 -4.480 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.810 -6.458 -2.188 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.817 -6.880 -5.017 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.568 -5.934 -3.748 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.581 -5.100 -5.233 1.00 0.55 H new ATOM 396 N ALA A 26 -4.416 -9.279 -3.804 1.00 0.40 N ATOM 397 CA ALA A 26 -5.016 -10.600 -3.680 1.00 0.45 C ATOM 398 C ALA A 26 -4.441 -11.336 -2.477 1.00 0.42 C ATOM 399 O ALA A 26 -5.153 -12.042 -1.763 1.00 0.46 O ATOM 400 CB ALA A 26 -4.773 -11.402 -4.945 1.00 0.52 C ATOM 0 H ALA A 26 -3.906 -9.129 -4.675 1.00 0.40 H new ATOM 0 HA ALA A 26 -6.090 -10.482 -3.534 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -5.225 -12.388 -4.843 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -5.218 -10.885 -5.795 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.701 -11.510 -5.107 1.00 0.52 H new ATOM 406 N HIS A 27 -3.142 -11.159 -2.266 1.00 0.37 N ATOM 407 CA HIS A 27 -2.444 -11.794 -1.155 1.00 0.37 C ATOM 408 C HIS A 27 -3.057 -11.376 0.177 1.00 0.38 C ATOM 409 O HIS A 27 -3.439 -12.217 0.989 1.00 0.44 O ATOM 410 CB HIS A 27 -0.962 -11.413 -1.195 1.00 0.37 C ATOM 411 CG HIS A 27 -0.221 -11.724 0.069 1.00 0.42 C ATOM 412 ND1 HIS A 27 -0.392 -12.898 0.772 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.702 -11.008 0.756 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.392 -12.892 1.835 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.065 -11.757 1.848 1.00 0.68 N ATOM 0 H HIS A 27 -2.547 -10.576 -2.855 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.542 -12.875 -1.251 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.484 -11.937 -2.023 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.877 -10.346 -1.402 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.081 -10.031 0.494 1.00 0.55 H new ATOM 0 HE1 HIS A 27 0.469 -13.681 2.568 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.746 -11.480 2.556 1.00 0.68 H new ATOM 424 N LEU A 28 -3.144 -10.068 0.389 1.00 0.37 N ATOM 425 CA LEU A 28 -3.707 -9.523 1.618 1.00 0.45 C ATOM 426 C LEU A 28 -5.152 -9.974 1.803 1.00 0.49 C ATOM 427 O LEU A 28 -5.623 -10.132 2.930 1.00 0.51 O ATOM 428 CB LEU A 28 -3.633 -7.994 1.593 1.00 0.51 C ATOM 429 CG LEU A 28 -2.309 -7.387 2.071 1.00 0.56 C ATOM 430 CD1 LEU A 28 -2.077 -7.694 3.544 1.00 1.09 C ATOM 431 CD2 LEU A 28 -1.143 -7.890 1.229 1.00 0.99 C ATOM 0 H LEU A 28 -2.830 -9.363 -0.278 1.00 0.37 H new ATOM 0 HA LEU A 28 -3.123 -9.898 2.459 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.820 -7.656 0.574 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.438 -7.599 2.213 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.372 -6.305 1.951 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -1.132 -7.254 3.863 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.891 -7.274 4.136 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -2.042 -8.774 3.690 1.00 1.09 H new ATOM 0 HD21 LEU A 28 -0.216 -7.444 1.589 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.079 -8.975 1.308 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.299 -7.611 0.187 1.00 0.99 H new ATOM 443 N ASP A 29 -5.850 -10.178 0.691 1.00 0.60 N ATOM 444 CA ASP A 29 -7.242 -10.610 0.726 1.00 0.69 C ATOM 445 C ASP A 29 -7.370 -11.991 1.363 1.00 0.57 C ATOM 446 O ASP A 29 -8.398 -12.318 1.955 1.00 0.55 O ATOM 447 CB ASP A 29 -7.827 -10.633 -0.688 1.00 0.94 C ATOM 448 CG ASP A 29 -9.229 -10.060 -0.743 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.413 -8.897 -0.328 1.00 1.20 O ATOM 450 OD2 ASP A 29 -10.145 -10.776 -1.201 1.00 1.12 O ATOM 0 H ASP A 29 -5.473 -10.051 -0.248 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.801 -9.897 1.333 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.179 -10.065 -1.356 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.842 -11.659 -1.055 1.00 0.94 H new ATOM 455 N ALA A 30 -6.320 -12.796 1.236 1.00 0.56 N ATOM 456 CA ALA A 30 -6.316 -14.141 1.797 1.00 0.58 C ATOM 457 C ALA A 30 -6.297 -14.100 3.322 1.00 0.46 C ATOM 458 O ALA A 30 -7.056 -14.812 3.981 1.00 0.54 O ATOM 459 CB ALA A 30 -5.126 -14.928 1.271 1.00 0.68 C ATOM 0 H ALA A 30 -5.461 -12.540 0.749 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.233 -14.641 1.486 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.135 -15.931 1.698 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.186 -14.996 0.185 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.202 -14.422 1.552 1.00 0.68 H new ATOM 465 N LEU A 31 -5.425 -13.264 3.876 1.00 0.37 N ATOM 466 CA LEU A 31 -5.305 -13.130 5.324 1.00 0.40 C ATOM 467 C LEU A 31 -6.517 -12.412 5.910 1.00 0.40 C ATOM 468 O LEU A 31 -6.737 -12.439 7.121 1.00 0.45 O ATOM 469 CB LEU A 31 -4.027 -12.374 5.684 1.00 0.45 C ATOM 470 CG LEU A 31 -2.924 -13.232 6.304 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.557 -12.765 5.831 1.00 1.10 C ATOM 472 CD2 LEU A 31 -3.009 -13.192 7.822 1.00 1.16 C ATOM 0 H LEU A 31 -4.790 -12.669 3.344 1.00 0.37 H new ATOM 0 HA LEU A 31 -5.259 -14.132 5.751 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.636 -11.901 4.783 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.279 -11.574 6.380 1.00 0.45 H new ATOM 0 HG LEU A 31 -3.065 -14.263 5.980 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.784 -13.387 6.282 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.500 -12.846 4.746 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.405 -11.727 6.126 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -2.217 -13.808 8.247 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -2.894 -12.164 8.166 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -3.978 -13.575 8.142 1.00 1.16 H new ATOM 484 N ASP A 32 -7.297 -11.773 5.043 1.00 0.40 N ATOM 485 CA ASP A 32 -8.489 -11.045 5.469 1.00 0.46 C ATOM 486 C ASP A 32 -8.141 -9.988 6.513 1.00 0.46 C ATOM 487 O ASP A 32 -8.542 -10.087 7.674 1.00 0.57 O ATOM 488 CB ASP A 32 -9.531 -12.015 6.033 1.00 0.52 C ATOM 489 CG ASP A 32 -10.874 -11.351 6.264 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.541 -11.000 5.268 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.258 -11.180 7.441 1.00 2.03 O ATOM 0 H ASP A 32 -7.125 -11.744 4.038 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.906 -10.541 4.597 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.656 -12.851 5.344 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.167 -12.429 6.973 1.00 0.52 H new ATOM 496 N VAL A 33 -7.390 -8.975 6.091 1.00 0.42 N ATOM 497 CA VAL A 33 -6.988 -7.895 6.984 1.00 0.43 C ATOM 498 C VAL A 33 -7.161 -6.536 6.312 1.00 0.42 C ATOM 499 O VAL A 33 -6.492 -5.566 6.668 1.00 0.52 O ATOM 500 CB VAL A 33 -5.521 -8.050 7.432 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.385 -9.182 8.439 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.618 -8.282 6.231 1.00 0.50 C ATOM 0 H VAL A 33 -7.048 -8.880 5.135 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.634 -7.952 7.860 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.210 -7.125 7.918 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.342 -9.275 8.743 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.000 -8.967 9.313 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.715 -10.116 7.984 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.586 -8.389 6.567 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.927 -9.190 5.713 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.692 -7.433 5.551 1.00 0.50 H new ATOM 512 N TRP A 34 -8.068 -6.476 5.341 1.00 0.39 N ATOM 513 CA TRP A 34 -8.332 -5.238 4.616 1.00 0.38 C ATOM 514 C TRP A 34 -8.819 -4.144 5.563 1.00 0.33 C ATOM 515 O TRP A 34 -8.469 -2.973 5.406 1.00 0.34 O ATOM 516 CB TRP A 34 -9.365 -5.478 3.513 1.00 0.40 C ATOM 517 CG TRP A 34 -10.733 -5.802 4.035 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.143 -6.984 4.579 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.867 -4.930 4.063 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.464 -6.901 4.945 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.932 -5.650 4.637 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.088 -3.611 3.659 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.196 -5.094 4.817 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.343 -3.060 3.838 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.383 -3.801 4.413 1.00 0.50 C ATOM 0 H TRP A 34 -8.632 -7.270 5.039 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.399 -4.906 4.161 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.426 -4.590 2.884 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.024 -6.296 2.878 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.520 -7.857 4.704 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.008 -7.648 5.376 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.292 -3.032 3.215 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.000 -5.664 5.260 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.525 -2.041 3.529 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.352 -3.342 4.540 1.00 0.50 H new ATOM 536 N GLN A 35 -9.627 -4.534 6.543 1.00 0.32 N ATOM 537 CA GLN A 35 -10.162 -3.588 7.518 1.00 0.33 C ATOM 538 C GLN A 35 -9.038 -2.960 8.335 1.00 0.32 C ATOM 539 O GLN A 35 -9.136 -1.810 8.762 1.00 0.35 O ATOM 540 CB GLN A 35 -11.158 -4.285 8.447 1.00 0.38 C ATOM 541 CG GLN A 35 -12.529 -3.631 8.471 1.00 1.12 C ATOM 542 CD GLN A 35 -12.542 -2.325 9.245 1.00 1.61 C ATOM 543 OE1 GLN A 35 -13.022 -1.304 8.753 1.00 2.15 O ATOM 544 NE2 GLN A 35 -12.013 -2.354 10.463 1.00 2.32 N ATOM 0 H GLN A 35 -9.926 -5.499 6.684 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.679 -2.797 6.975 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.266 -5.324 8.136 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.752 -4.296 9.459 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.856 -3.446 7.448 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -13.248 -4.319 8.916 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -11.626 -3.223 10.831 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -11.993 -1.507 11.031 1.00 2.32 H new ATOM 553 N GLN A 36 -7.972 -3.725 8.548 1.00 0.33 N ATOM 554 CA GLN A 36 -6.826 -3.244 9.312 1.00 0.38 C ATOM 555 C GLN A 36 -6.046 -2.207 8.516 1.00 0.37 C ATOM 556 O GLN A 36 -5.458 -1.292 9.088 1.00 0.46 O ATOM 557 CB GLN A 36 -5.911 -4.409 9.691 1.00 0.45 C ATOM 558 CG GLN A 36 -6.241 -5.032 11.038 1.00 1.54 C ATOM 559 CD GLN A 36 -6.461 -6.530 10.949 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.274 -6.954 9.989 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -5.904 -7.298 11.733 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.878 -4.680 8.203 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.197 -2.776 10.224 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.976 -5.177 8.920 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -4.879 -4.059 9.706 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.430 -4.828 11.737 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -7.136 -4.560 11.443 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.287 -6.929 12.456 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -6.060 -8.303 11.659 1.00 2.41 H new ATOM 570 N LEU A 37 -6.046 -2.357 7.195 1.00 0.37 N ATOM 571 CA LEU A 37 -5.342 -1.425 6.322 1.00 0.40 C ATOM 572 C LEU A 37 -5.941 -0.027 6.440 1.00 0.38 C ATOM 573 O LEU A 37 -5.247 0.931 6.779 1.00 0.42 O ATOM 574 CB LEU A 37 -5.410 -1.900 4.870 1.00 0.43 C ATOM 575 CG LEU A 37 -4.400 -2.986 4.494 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.925 -3.823 3.337 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.059 -2.363 4.138 1.00 0.65 C ATOM 0 H LEU A 37 -6.525 -3.114 6.707 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.298 -1.387 6.632 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.414 -2.276 4.674 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.257 -1.042 4.216 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.258 -3.640 5.354 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.194 -4.591 3.082 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.863 -4.297 3.627 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.094 -3.182 2.472 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.352 -3.149 3.873 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.185 -1.687 3.292 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.678 -1.806 4.994 1.00 0.65 H new ATOM 589 N ALA A 38 -7.232 0.079 6.143 1.00 0.36 N ATOM 590 CA ALA A 38 -7.940 1.352 6.217 1.00 0.37 C ATOM 591 C ALA A 38 -7.735 2.027 7.570 1.00 0.36 C ATOM 592 O ALA A 38 -7.267 3.164 7.645 1.00 0.41 O ATOM 593 CB ALA A 38 -9.423 1.144 5.949 1.00 0.39 C ATOM 0 H ALA A 38 -7.812 -0.706 5.847 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.528 2.010 5.452 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -9.941 2.101 6.007 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.557 0.719 4.954 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.835 0.463 6.693 1.00 0.39 H new ATOM 599 N THR A 39 -8.094 1.319 8.638 1.00 0.33 N ATOM 600 CA THR A 39 -7.962 1.848 9.993 1.00 0.36 C ATOM 601 C THR A 39 -6.511 2.179 10.336 1.00 0.37 C ATOM 602 O THR A 39 -6.247 3.104 11.105 1.00 0.40 O ATOM 603 CB THR A 39 -8.511 0.861 11.036 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.688 0.217 10.533 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.838 1.576 12.338 1.00 0.51 C ATOM 0 H THR A 39 -8.479 0.376 8.591 1.00 0.33 H new ATOM 0 HA THR A 39 -8.548 2.767 10.022 1.00 0.36 H new ATOM 0 HB THR A 39 -7.743 0.112 11.232 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.433 -0.589 10.037 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.225 0.857 13.061 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.935 2.040 12.735 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.589 2.344 12.153 1.00 0.51 H new ATOM 613 N ALA A 40 -5.575 1.416 9.775 1.00 0.38 N ATOM 614 CA ALA A 40 -4.154 1.645 10.032 1.00 0.43 C ATOM 615 C ALA A 40 -3.763 3.083 9.706 1.00 0.42 C ATOM 616 O ALA A 40 -2.910 3.670 10.372 1.00 0.47 O ATOM 617 CB ALA A 40 -3.300 0.674 9.229 1.00 0.47 C ATOM 0 H ALA A 40 -5.772 0.639 9.144 1.00 0.38 H new ATOM 0 HA ALA A 40 -3.975 1.474 11.093 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.246 0.861 9.434 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.549 -0.349 9.511 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.493 0.814 8.165 1.00 0.47 H new ATOM 623 N VAL A 41 -4.392 3.643 8.679 1.00 0.38 N ATOM 624 CA VAL A 41 -4.118 5.015 8.270 1.00 0.40 C ATOM 625 C VAL A 41 -5.256 5.939 8.688 1.00 0.41 C ATOM 626 O VAL A 41 -5.241 7.134 8.393 1.00 0.47 O ATOM 627 CB VAL A 41 -3.910 5.125 6.747 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.513 4.661 6.364 1.00 0.50 C ATOM 629 CG2 VAL A 41 -4.967 4.327 6.000 1.00 0.45 C ATOM 0 H VAL A 41 -5.096 3.167 8.114 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.198 5.319 8.769 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.013 6.172 6.462 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.385 4.746 5.285 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -1.772 5.282 6.868 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.380 3.622 6.665 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -4.801 4.419 4.927 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -4.902 3.278 6.289 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -5.956 4.711 6.248 1.00 0.45 H new ATOM 639 N LYS A 42 -6.241 5.369 9.380 1.00 0.38 N ATOM 640 CA LYS A 42 -7.398 6.123 9.852 1.00 0.41 C ATOM 641 C LYS A 42 -8.130 6.794 8.693 1.00 0.43 C ATOM 642 O LYS A 42 -7.745 7.874 8.244 1.00 0.53 O ATOM 643 CB LYS A 42 -6.969 7.177 10.876 1.00 0.51 C ATOM 644 CG LYS A 42 -7.786 7.151 12.160 1.00 0.77 C ATOM 645 CD LYS A 42 -9.256 7.452 11.899 1.00 1.05 C ATOM 646 CE LYS A 42 -9.473 8.915 11.545 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.671 9.757 12.757 1.00 2.14 N ATOM 0 H LYS A 42 -6.259 4.380 9.627 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.081 5.419 10.328 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -5.918 7.025 11.122 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.051 8.165 10.423 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -7.693 6.172 12.631 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.384 7.882 12.862 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.618 6.823 11.086 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.842 7.200 12.783 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -8.615 9.284 10.983 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.343 9.006 10.894 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -9.815 10.747 12.472 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -10.505 9.422 13.280 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -8.831 9.691 13.366 1.00 2.14 H new ATOM 661 N LEU A 43 -9.189 6.148 8.215 1.00 0.41 N ATOM 662 CA LEU A 43 -9.973 6.685 7.110 1.00 0.49 C ATOM 663 C LEU A 43 -11.447 6.796 7.484 1.00 0.49 C ATOM 664 O LEU A 43 -11.883 6.254 8.500 1.00 0.52 O ATOM 665 CB LEU A 43 -9.816 5.802 5.870 1.00 0.56 C ATOM 666 CG LEU A 43 -8.720 6.241 4.897 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.415 5.133 3.901 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.131 7.513 4.170 1.00 1.03 C ATOM 0 H LEU A 43 -9.523 5.254 8.575 1.00 0.41 H new ATOM 0 HA LEU A 43 -9.599 7.685 6.889 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.607 4.782 6.193 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -10.766 5.779 5.337 1.00 0.56 H new ATOM 0 HG LEU A 43 -7.815 6.448 5.469 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -7.633 5.464 3.217 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.078 4.245 4.436 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.315 4.895 3.335 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -8.340 7.811 3.482 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.049 7.332 3.611 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.299 8.309 4.896 1.00 1.03 H new ATOM 680 N TYR A 44 -12.209 7.504 6.655 1.00 0.50 N ATOM 681 CA TYR A 44 -13.637 7.689 6.891 1.00 0.53 C ATOM 682 C TYR A 44 -14.392 6.375 6.683 1.00 0.48 C ATOM 683 O TYR A 44 -13.880 5.462 6.036 1.00 0.48 O ATOM 684 CB TYR A 44 -14.188 8.770 5.955 1.00 0.60 C ATOM 685 CG TYR A 44 -13.857 10.178 6.397 1.00 0.74 C ATOM 686 CD1 TYR A 44 -12.571 10.686 6.256 1.00 0.91 C ATOM 687 CD2 TYR A 44 -14.829 10.999 6.953 1.00 0.94 C ATOM 688 CE1 TYR A 44 -12.263 11.972 6.659 1.00 1.10 C ATOM 689 CE2 TYR A 44 -14.530 12.287 7.357 1.00 1.14 C ATOM 690 CZ TYR A 44 -13.246 12.767 7.209 1.00 1.16 C ATOM 691 OH TYR A 44 -12.943 14.049 7.611 1.00 1.41 O ATOM 0 H TYR A 44 -11.860 7.960 5.812 1.00 0.50 H new ATOM 0 HA TYR A 44 -13.780 8.008 7.924 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -13.790 8.609 4.953 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.271 8.664 5.888 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -11.799 10.066 5.824 1.00 0.91 H new ATOM 0 HD2 TYR A 44 -15.835 10.625 7.072 1.00 0.94 H new ATOM 0 HE1 TYR A 44 -11.259 12.352 6.544 1.00 1.10 H new ATOM 0 HE2 TYR A 44 -15.298 12.914 7.786 1.00 1.14 H new ATOM 0 HH TYR A 44 -13.746 14.476 7.976 1.00 1.41 H new ATOM 701 N PRO A 45 -15.621 6.260 7.225 1.00 0.62 N ATOM 702 CA PRO A 45 -16.430 5.043 7.090 1.00 0.65 C ATOM 703 C PRO A 45 -16.969 4.871 5.677 1.00 0.65 C ATOM 704 O PRO A 45 -17.059 3.758 5.166 1.00 0.70 O ATOM 705 CB PRO A 45 -17.578 5.283 8.067 1.00 0.86 C ATOM 706 CG PRO A 45 -17.734 6.758 8.061 1.00 1.32 C ATOM 707 CD PRO A 45 -16.332 7.299 7.997 1.00 0.87 C ATOM 0 HA PRO A 45 -15.856 4.139 7.293 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.491 4.781 7.745 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.343 4.908 9.063 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -18.324 7.089 7.206 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -18.250 7.104 8.957 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.294 8.269 7.502 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.903 7.431 8.990 1.00 0.87 H new ATOM 715 N ASP A 46 -17.334 5.987 5.054 1.00 0.67 N ATOM 716 CA ASP A 46 -17.863 5.966 3.698 1.00 0.74 C ATOM 717 C ASP A 46 -16.827 5.413 2.726 1.00 0.69 C ATOM 718 O ASP A 46 -17.173 4.894 1.667 1.00 0.76 O ATOM 719 CB ASP A 46 -18.286 7.373 3.270 1.00 0.89 C ATOM 720 CG ASP A 46 -19.714 7.690 3.666 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.612 6.881 3.349 1.00 2.01 O ATOM 722 OD2 ASP A 46 -19.936 8.748 4.291 1.00 1.77 O ATOM 0 H ASP A 46 -17.272 6.917 5.468 1.00 0.67 H new ATOM 0 HA ASP A 46 -18.737 5.315 3.682 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -17.615 8.104 3.721 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -18.181 7.468 2.189 1.00 0.89 H new ATOM 727 N GLN A 47 -15.555 5.534 3.096 1.00 0.63 N ATOM 728 CA GLN A 47 -14.465 5.042 2.261 1.00 0.68 C ATOM 729 C GLN A 47 -14.306 3.533 2.415 1.00 0.61 C ATOM 730 O GLN A 47 -14.245 2.802 1.426 1.00 0.65 O ATOM 731 CB GLN A 47 -13.157 5.746 2.626 1.00 0.75 C ATOM 732 CG GLN A 47 -13.236 7.261 2.534 1.00 0.78 C ATOM 733 CD GLN A 47 -13.296 7.756 1.102 1.00 1.21 C ATOM 734 OE1 GLN A 47 -14.329 7.653 0.441 1.00 1.94 O ATOM 735 NE2 GLN A 47 -12.186 8.297 0.616 1.00 1.56 N ATOM 0 H GLN A 47 -15.254 5.969 3.969 1.00 0.63 H new ATOM 0 HA GLN A 47 -14.707 5.261 1.221 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -12.874 5.466 3.641 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -12.366 5.391 1.965 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.118 7.608 3.072 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -12.368 7.697 3.029 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.352 8.362 1.200 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -12.167 8.648 -0.342 1.00 1.56 H new ATOM 744 N VAL A 48 -14.241 3.075 3.661 1.00 0.57 N ATOM 745 CA VAL A 48 -14.092 1.651 3.946 1.00 0.57 C ATOM 746 C VAL A 48 -15.308 0.871 3.461 1.00 0.55 C ATOM 747 O VAL A 48 -15.174 -0.148 2.781 1.00 0.51 O ATOM 748 CB VAL A 48 -13.895 1.391 5.452 1.00 0.61 C ATOM 749 CG1 VAL A 48 -13.304 0.009 5.682 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.010 2.463 6.071 1.00 0.75 C ATOM 0 H VAL A 48 -14.289 3.668 4.489 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.204 1.312 3.413 1.00 0.57 H new ATOM 0 HB VAL A 48 -14.870 1.432 5.937 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -13.172 -0.157 6.751 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -13.978 -0.747 5.278 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -12.338 -0.061 5.182 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -12.884 2.261 7.135 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.036 2.457 5.582 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.476 3.440 5.940 1.00 0.75 H new ATOM 760 N GLU A 49 -16.493 1.356 3.816 1.00 0.60 N ATOM 761 CA GLU A 49 -17.737 0.713 3.412 1.00 0.63 C ATOM 762 C GLU A 49 -17.841 0.659 1.893 1.00 0.57 C ATOM 763 O GLU A 49 -18.332 -0.319 1.329 1.00 0.57 O ATOM 764 CB GLU A 49 -18.940 1.463 3.988 1.00 0.73 C ATOM 765 CG GLU A 49 -19.510 0.827 5.244 1.00 0.87 C ATOM 766 CD GLU A 49 -20.992 1.100 5.413 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.436 2.213 5.060 1.00 1.73 O ATOM 768 OE2 GLU A 49 -21.710 0.201 5.900 1.00 2.44 O ATOM 0 H GLU A 49 -16.618 2.194 4.384 1.00 0.60 H new ATOM 0 HA GLU A 49 -17.736 -0.305 3.802 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -18.645 2.488 4.212 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -19.722 1.515 3.230 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -19.344 -0.250 5.209 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -18.973 1.204 6.114 1.00 0.87 H new ATOM 775 N GLN A 50 -17.377 1.720 1.237 1.00 0.56 N ATOM 776 CA GLN A 50 -17.407 1.788 -0.222 1.00 0.55 C ATOM 777 C GLN A 50 -16.662 0.605 -0.831 1.00 0.48 C ATOM 778 O GLN A 50 -17.046 0.089 -1.881 1.00 0.56 O ATOM 779 CB GLN A 50 -16.785 3.097 -0.711 1.00 0.59 C ATOM 780 CG GLN A 50 -17.786 4.041 -1.358 1.00 0.91 C ATOM 781 CD GLN A 50 -17.173 5.377 -1.728 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.467 6.401 -1.111 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.313 5.374 -2.742 1.00 1.46 N ATOM 0 H GLN A 50 -16.977 2.542 1.690 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.449 1.750 -0.540 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -16.313 3.603 0.132 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -15.996 2.869 -1.428 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.195 3.573 -2.253 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.619 4.205 -0.675 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -16.098 4.502 -3.226 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.868 6.244 -3.036 1.00 1.46 H new ATOM 792 N ILE A 51 -15.592 0.181 -0.165 1.00 0.40 N ATOM 793 CA ILE A 51 -14.793 -0.942 -0.637 1.00 0.38 C ATOM 794 C ILE A 51 -15.546 -2.258 -0.466 1.00 0.41 C ATOM 795 O ILE A 51 -15.461 -3.147 -1.312 1.00 0.47 O ATOM 796 CB ILE A 51 -13.448 -1.029 0.111 1.00 0.35 C ATOM 797 CG1 ILE A 51 -12.695 0.297 0.010 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.602 -2.167 -0.442 1.00 0.38 C ATOM 799 CD1 ILE A 51 -11.784 0.564 1.188 1.00 0.42 C ATOM 0 H ILE A 51 -15.259 0.599 0.704 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.598 -0.772 -1.696 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.650 -1.232 1.163 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.103 0.301 -0.905 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.416 1.110 -0.073 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.656 -2.213 0.098 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.136 -3.110 -0.320 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.407 -1.994 -1.500 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.282 1.521 1.050 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.373 0.592 2.105 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.040 -0.229 1.260 1.00 0.42 H new ATOM 811 N SER A 52 -16.279 -2.372 0.639 1.00 0.43 N ATOM 812 CA SER A 52 -17.051 -3.576 0.929 1.00 0.50 C ATOM 813 C SER A 52 -17.975 -3.931 -0.233 1.00 0.52 C ATOM 814 O SER A 52 -18.152 -5.105 -0.562 1.00 0.59 O ATOM 815 CB SER A 52 -17.871 -3.384 2.206 1.00 0.57 C ATOM 816 OG SER A 52 -18.751 -4.474 2.418 1.00 1.42 O ATOM 0 H SER A 52 -16.354 -1.643 1.349 1.00 0.43 H new ATOM 0 HA SER A 52 -16.350 -4.398 1.072 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.201 -3.283 3.060 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.443 -2.459 2.138 1.00 0.57 H new ATOM 0 HG SER A 52 -19.262 -4.327 3.241 1.00 1.42 H new ATOM 822 N SER A 53 -18.566 -2.910 -0.848 1.00 0.54 N ATOM 823 CA SER A 53 -19.471 -3.115 -1.973 1.00 0.60 C ATOM 824 C SER A 53 -18.758 -3.820 -3.122 1.00 0.63 C ATOM 825 O SER A 53 -19.122 -4.932 -3.505 1.00 0.70 O ATOM 826 CB SER A 53 -20.033 -1.775 -2.452 1.00 0.68 C ATOM 827 OG SER A 53 -20.940 -1.235 -1.507 1.00 0.93 O ATOM 0 H SER A 53 -18.434 -1.933 -0.586 1.00 0.54 H new ATOM 0 HA SER A 53 -20.293 -3.747 -1.637 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.216 -1.073 -2.619 1.00 0.68 H new ATOM 0 HB3 SER A 53 -20.537 -1.910 -3.409 1.00 0.68 H new ATOM 0 HG SER A 53 -21.284 -0.378 -1.836 1.00 0.93 H new ATOM 833 N GLN A 54 -17.741 -3.161 -3.670 1.00 0.67 N ATOM 834 CA GLN A 54 -16.971 -3.717 -4.777 1.00 0.80 C ATOM 835 C GLN A 54 -16.263 -5.006 -4.367 1.00 0.81 C ATOM 836 O GLN A 54 -15.858 -5.797 -5.218 1.00 0.97 O ATOM 837 CB GLN A 54 -15.949 -2.694 -5.275 1.00 0.94 C ATOM 838 CG GLN A 54 -16.501 -1.751 -6.331 1.00 1.35 C ATOM 839 CD GLN A 54 -17.363 -0.654 -5.739 1.00 1.75 C ATOM 840 OE1 GLN A 54 -16.980 -0.005 -4.766 1.00 2.48 O ATOM 841 NE2 GLN A 54 -18.535 -0.441 -6.326 1.00 2.07 N ATOM 0 H GLN A 54 -17.431 -2.239 -3.364 1.00 0.67 H new ATOM 0 HA GLN A 54 -17.665 -3.953 -5.583 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.590 -2.109 -4.428 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -15.088 -3.222 -5.685 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -15.673 -1.301 -6.880 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -17.088 -2.321 -7.051 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -18.812 -1.003 -7.131 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -19.158 0.285 -5.972 1.00 2.07 H new ATOM 850 N LYS A 55 -16.111 -5.209 -3.063 1.00 0.68 N ATOM 851 CA LYS A 55 -15.448 -6.403 -2.548 1.00 0.73 C ATOM 852 C LYS A 55 -16.202 -7.669 -2.946 1.00 0.86 C ATOM 853 O LYS A 55 -15.668 -8.526 -3.650 1.00 1.12 O ATOM 854 CB LYS A 55 -15.324 -6.329 -1.024 1.00 0.65 C ATOM 855 CG LYS A 55 -14.468 -7.436 -0.430 1.00 0.74 C ATOM 856 CD LYS A 55 -13.914 -7.042 0.929 1.00 0.76 C ATOM 857 CE LYS A 55 -14.869 -7.419 2.049 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.160 -8.878 2.063 1.00 1.77 N ATOM 0 H LYS A 55 -16.437 -4.564 -2.344 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.451 -6.445 -2.987 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.898 -5.364 -0.749 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.320 -6.375 -0.584 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -15.062 -8.345 -0.332 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.645 -7.665 -1.107 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -12.953 -7.532 1.088 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -13.731 -5.968 0.951 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -14.439 -7.125 3.007 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -15.800 -6.864 1.934 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -15.372 -9.180 3.035 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.979 -9.075 1.453 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -14.333 -9.400 1.711 1.00 1.77 H new ATOM 872 N GLN A 56 -17.447 -7.779 -2.489 1.00 0.79 N ATOM 873 CA GLN A 56 -18.277 -8.942 -2.788 1.00 0.97 C ATOM 874 C GLN A 56 -18.486 -9.105 -4.291 1.00 1.12 C ATOM 875 O GLN A 56 -18.798 -10.197 -4.766 1.00 1.37 O ATOM 876 CB GLN A 56 -19.632 -8.823 -2.086 1.00 0.96 C ATOM 877 CG GLN A 56 -20.338 -7.502 -2.345 1.00 1.58 C ATOM 878 CD GLN A 56 -21.841 -7.657 -2.471 1.00 2.14 C ATOM 879 OE1 GLN A 56 -22.412 -8.658 -2.040 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.489 -6.663 -3.066 1.00 3.02 N ATOM 0 H GLN A 56 -17.904 -7.075 -1.909 1.00 0.79 H new ATOM 0 HA GLN A 56 -17.755 -9.825 -2.418 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.275 -9.639 -2.415 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -19.487 -8.944 -1.012 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -20.115 -6.810 -1.533 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -19.945 -7.058 -3.259 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.975 -5.851 -3.408 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -23.501 -6.711 -3.181 1.00 3.02 H new ATOM 944 N SER A 60 -10.640 -7.169 -5.633 1.00 0.87 N ATOM 945 CA SER A 60 -10.034 -7.414 -4.329 1.00 0.54 C ATOM 946 C SER A 60 -10.233 -6.218 -3.403 1.00 0.42 C ATOM 947 O SER A 60 -10.346 -5.080 -3.857 1.00 0.40 O ATOM 948 CB SER A 60 -8.542 -7.713 -4.483 1.00 0.77 C ATOM 949 OG SER A 60 -8.230 -9.010 -4.002 1.00 1.51 O ATOM 0 HA SER A 60 -10.526 -8.280 -3.885 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.258 -7.633 -5.532 1.00 0.77 H new ATOM 0 HB3 SER A 60 -7.961 -6.970 -3.938 1.00 0.77 H new ATOM 0 HG SER A 60 -7.709 -9.493 -4.677 1.00 1.51 H new ATOM 955 N ALA A 61 -10.274 -6.488 -2.101 1.00 0.38 N ATOM 956 CA ALA A 61 -10.459 -5.438 -1.105 1.00 0.33 C ATOM 957 C ALA A 61 -9.327 -4.419 -1.158 1.00 0.29 C ATOM 958 O ALA A 61 -9.567 -3.214 -1.227 1.00 0.27 O ATOM 959 CB ALA A 61 -10.559 -6.046 0.286 1.00 0.39 C ATOM 0 H ALA A 61 -10.181 -7.426 -1.711 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.389 -4.917 -1.333 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -10.697 -5.253 1.021 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -11.408 -6.728 0.325 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -9.644 -6.593 0.511 1.00 0.39 H new ATOM 965 N SER A 62 -8.092 -4.910 -1.122 1.00 0.33 N ATOM 966 CA SER A 62 -6.922 -4.041 -1.165 1.00 0.34 C ATOM 967 C SER A 62 -6.843 -3.303 -2.497 1.00 0.31 C ATOM 968 O SER A 62 -6.375 -2.167 -2.560 1.00 0.31 O ATOM 969 CB SER A 62 -5.644 -4.854 -0.942 1.00 0.42 C ATOM 970 OG SER A 62 -5.945 -6.206 -0.643 1.00 0.66 O ATOM 0 H SER A 62 -7.876 -5.905 -1.063 1.00 0.33 H new ATOM 0 HA SER A 62 -7.018 -3.306 -0.366 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.019 -4.806 -1.833 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.069 -4.417 -0.125 1.00 0.42 H new ATOM 0 HG SER A 62 -5.607 -6.783 -1.359 1.00 0.66 H new ATOM 976 N ASN A 63 -7.301 -3.958 -3.561 1.00 0.32 N ATOM 977 CA ASN A 63 -7.284 -3.359 -4.890 1.00 0.32 C ATOM 978 C ASN A 63 -8.123 -2.083 -4.917 1.00 0.31 C ATOM 979 O ASN A 63 -7.633 -1.015 -5.285 1.00 0.33 O ATOM 980 CB ASN A 63 -7.798 -4.360 -5.932 1.00 0.35 C ATOM 981 CG ASN A 63 -8.630 -3.702 -7.016 1.00 0.92 C ATOM 982 OD1 ASN A 63 -8.094 -3.149 -7.977 1.00 1.40 O ATOM 983 ND2 ASN A 63 -9.948 -3.759 -6.867 1.00 1.79 N ATOM 0 H ASN A 63 -7.687 -4.901 -3.528 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.255 -3.097 -5.136 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -6.950 -4.869 -6.390 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.396 -5.122 -5.433 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -10.559 -3.334 -7.565 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -10.350 -4.228 -6.055 1.00 1.79 H new ATOM 990 N GLU A 64 -9.388 -2.203 -4.523 1.00 0.31 N ATOM 991 CA GLU A 64 -10.288 -1.058 -4.495 1.00 0.33 C ATOM 992 C GLU A 64 -9.814 -0.032 -3.471 1.00 0.31 C ATOM 993 O GLU A 64 -9.948 1.174 -3.675 1.00 0.34 O ATOM 994 CB GLU A 64 -11.713 -1.507 -4.165 1.00 0.37 C ATOM 995 CG GLU A 64 -12.786 -0.561 -4.679 1.00 0.87 C ATOM 996 CD GLU A 64 -12.897 -0.572 -6.192 1.00 1.10 C ATOM 997 OE1 GLU A 64 -12.570 -1.610 -6.803 1.00 1.66 O ATOM 998 OE2 GLU A 64 -13.308 0.459 -6.764 1.00 1.72 O ATOM 0 H GLU A 64 -9.811 -3.080 -4.220 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.285 -0.595 -5.482 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.880 -2.497 -4.590 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.813 -1.603 -3.084 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -13.747 -0.838 -4.246 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -12.564 0.452 -4.342 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.262 -0.527 -2.368 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.759 0.335 -1.305 1.00 0.29 C ATOM 1007 C PHE A 65 -7.692 1.289 -1.838 1.00 0.30 C ATOM 1008 O PHE A 65 -7.738 2.491 -1.581 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.189 -0.513 -0.164 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.459 0.283 0.882 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -8.146 1.169 1.696 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -6.091 0.146 1.051 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.482 1.904 2.659 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.421 0.878 2.012 1.00 0.42 C ATOM 1015 CZ PHE A 65 -6.105 1.748 2.817 1.00 0.48 C ATOM 0 H PHE A 65 -9.152 -1.525 -2.187 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.589 0.930 -0.924 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.004 -1.059 0.312 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.509 -1.256 -0.581 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -9.213 1.286 1.576 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.542 -0.541 0.424 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -8.026 2.595 3.286 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.353 0.763 2.128 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.580 2.313 3.573 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.733 0.743 -2.581 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.654 1.548 -3.150 1.00 0.35 C ATOM 1027 C LEU A 66 -6.197 2.551 -4.165 1.00 0.37 C ATOM 1028 O LEU A 66 -5.626 3.623 -4.356 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.610 0.646 -3.817 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.414 0.262 -2.939 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.605 1.494 -2.564 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.878 -0.474 -1.690 1.00 0.61 C ATOM 0 H LEU A 66 -6.680 -0.251 -2.803 1.00 0.32 H new ATOM 0 HA LEU A 66 -5.182 2.100 -2.337 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.103 -0.268 -4.149 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.237 1.149 -4.709 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.772 -0.407 -3.512 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.761 1.199 -1.941 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.237 1.977 -3.469 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.237 2.190 -2.013 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -3.013 -0.737 -1.081 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.545 0.169 -1.115 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.409 -1.381 -1.978 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.298 2.192 -4.816 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.916 3.062 -5.812 1.00 0.42 C ATOM 1046 C ASN A 67 -8.407 4.363 -5.182 1.00 0.41 C ATOM 1047 O ASN A 67 -8.654 5.345 -5.880 1.00 0.66 O ATOM 1048 CB ASN A 67 -9.081 2.343 -6.494 1.00 0.47 C ATOM 1049 CG ASN A 67 -9.387 2.908 -7.867 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -8.567 3.612 -8.459 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -10.573 2.605 -8.383 1.00 1.48 N ATOM 0 H ASN A 67 -7.781 1.305 -4.673 1.00 0.37 H new ATOM 0 HA ASN A 67 -7.159 3.307 -6.557 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.846 1.282 -6.585 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.969 2.420 -5.867 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -10.834 2.959 -9.303 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -11.222 2.019 -7.859 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.543 4.363 -3.858 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.011 5.545 -3.139 1.00 0.35 C ATOM 1060 C ILE A 68 -7.888 6.192 -2.334 1.00 0.35 C ATOM 1061 O ILE A 68 -7.640 7.392 -2.455 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.176 5.195 -2.193 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.292 4.489 -2.962 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.706 6.451 -1.515 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -12.003 3.422 -2.159 1.00 0.52 C ATOM 0 H ILE A 68 -8.337 3.561 -3.263 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.359 6.254 -3.890 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.806 4.518 -1.423 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -12.021 5.230 -3.290 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.872 4.036 -3.860 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.528 6.186 -0.850 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.908 6.917 -0.937 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.062 7.150 -2.272 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.782 2.965 -2.770 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.287 2.659 -1.853 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.453 3.872 -1.274 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.213 5.395 -1.514 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.120 5.898 -0.687 1.00 0.38 C ATOM 1079 C TRP A 69 -4.906 6.241 -1.543 1.00 0.45 C ATOM 1080 O TRP A 69 -4.243 7.255 -1.318 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.738 4.864 0.375 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.657 5.332 1.300 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.773 6.263 2.290 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.295 4.891 1.318 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.565 6.431 2.925 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.641 5.598 2.346 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.563 3.968 0.567 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.293 5.410 2.639 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.224 3.781 0.858 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.602 4.500 1.887 1.00 0.63 C ATOM 0 H TRP A 69 -7.402 4.399 -1.403 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.460 6.807 -0.191 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.622 4.612 0.960 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.411 3.949 -0.120 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.681 6.791 2.539 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.385 7.070 3.699 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -3.035 3.410 -0.228 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.810 5.963 3.431 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.649 3.070 0.283 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.445 4.332 2.091 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.620 5.391 -2.522 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.489 5.622 -3.403 1.00 0.74 C ATOM 1103 C GLY A 70 -3.889 6.341 -4.677 1.00 0.86 C ATOM 1104 O GLY A 70 -3.907 5.744 -5.754 1.00 1.08 O ATOM 0 H GLY A 70 -5.152 4.544 -2.722 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.736 6.210 -2.878 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.028 4.667 -3.657 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.210 7.625 -4.552 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.609 8.408 -5.707 1.00 1.16 C ATOM 1110 C GLY A 71 -5.056 9.806 -5.327 1.00 1.26 C ATOM 1111 O GLY A 71 -4.450 10.794 -5.743 1.00 1.54 O ATOM 0 H GLY A 71 -4.201 8.138 -3.670 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.775 8.473 -6.405 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.420 7.898 -6.226 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.122 9.889 -4.536 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.649 11.176 -4.096 1.00 1.31 C ATOM 1117 C GLN A 72 -5.707 11.830 -3.093 1.00 1.31 C ATOM 1118 O GLN A 72 -5.751 13.042 -2.881 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.035 10.999 -3.471 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.914 10.002 -4.208 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.391 10.214 -3.937 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.114 9.274 -3.608 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.847 11.454 -4.073 1.00 1.99 N ATOM 0 H GLN A 72 -6.637 9.081 -4.187 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.733 11.824 -4.968 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.919 10.673 -2.437 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.539 11.965 -3.446 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.730 10.083 -5.279 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.636 8.990 -3.913 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.212 12.204 -4.348 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.832 11.657 -3.903 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.852 11.016 -2.479 1.00 1.08 N ATOM 1133 CA TYR A 73 -3.894 11.508 -1.496 1.00 1.16 C ATOM 1134 C TYR A 73 -2.541 11.779 -2.145 1.00 1.24 C ATOM 1135 O TYR A 73 -1.719 12.518 -1.601 1.00 1.49 O ATOM 1136 CB TYR A 73 -3.727 10.495 -0.362 1.00 1.13 C ATOM 1137 CG TYR A 73 -4.885 10.471 0.609 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -4.901 11.304 1.721 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -5.962 9.615 0.412 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -5.959 11.285 2.609 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.023 9.592 1.296 1.00 0.97 C ATOM 1142 CZ TYR A 73 -7.011 10.427 2.399 1.00 1.27 C ATOM 1143 OH TYR A 73 -8.072 10.407 3.276 1.00 1.38 O ATOM 0 H TYR A 73 -4.804 10.011 -2.646 1.00 1.08 H new ATOM 0 HA TYR A 73 -4.280 12.442 -1.088 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -3.604 9.501 -0.791 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -2.812 10.722 0.184 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -4.074 11.976 1.894 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.969 8.958 -0.445 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -5.959 11.943 3.466 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -7.857 8.926 1.127 1.00 0.97 H new ATOM 0 HH TYR A 73 -8.826 9.934 2.866 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.317 11.176 -3.310 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.062 11.343 -4.035 1.00 1.34 C ATOM 1155 C ASN A 74 0.123 10.928 -3.168 1.00 0.95 C ATOM 1156 O ASN A 74 1.184 11.552 -3.205 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.897 12.794 -4.493 1.00 1.91 C ATOM 1158 CG ASN A 74 -0.167 12.903 -5.818 1.00 2.53 C ATOM 1159 OD1 ASN A 74 0.978 12.470 -5.945 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -0.827 13.485 -6.811 1.00 3.10 N ATOM 0 H ASN A 74 -2.991 10.566 -3.772 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.090 10.699 -4.914 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.879 13.257 -4.583 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.350 13.352 -3.733 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -0.386 13.588 -7.725 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -1.775 13.829 -6.660 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.067 9.867 -2.390 1.00 0.64 N ATOM 1168 CA HIS A 75 0.981 9.362 -1.510 1.00 0.65 C ATOM 1169 C HIS A 75 2.019 8.571 -2.299 1.00 0.56 C ATOM 1170 O HIS A 75 1.703 7.960 -3.320 1.00 1.01 O ATOM 1171 CB HIS A 75 0.375 8.479 -0.417 1.00 1.06 C ATOM 1172 CG HIS A 75 0.254 9.165 0.909 1.00 1.69 C ATOM 1173 ND1 HIS A 75 1.345 9.570 1.649 1.00 2.23 N ATOM 1174 CD2 HIS A 75 -0.838 9.521 1.627 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.930 10.143 2.765 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -0.390 10.128 2.775 1.00 2.80 N ATOM 0 H HIS A 75 -0.939 9.339 -2.351 1.00 0.64 H new ATOM 0 HA HIS A 75 1.475 10.216 -1.047 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.613 8.146 -0.736 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.990 7.586 -0.300 1.00 1.06 H new ATOM 0 HD2 HIS A 75 -1.869 9.358 1.349 1.00 2.43 H new ATOM 0 HE1 HIS A 75 1.563 10.554 3.538 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.981 10.506 3.515 1.00 2.80 H new ATOM 1185 N THR A 76 3.258 8.587 -1.818 1.00 0.64 N ATOM 1186 CA THR A 76 4.344 7.871 -2.477 1.00 0.64 C ATOM 1187 C THR A 76 4.454 6.442 -1.956 1.00 0.51 C ATOM 1188 O THR A 76 3.840 6.090 -0.949 1.00 0.43 O ATOM 1189 CB THR A 76 5.695 8.586 -2.275 1.00 0.89 C ATOM 1190 OG1 THR A 76 6.226 8.277 -0.981 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.538 10.094 -2.414 1.00 1.07 C ATOM 0 H THR A 76 3.535 9.088 -0.974 1.00 0.64 H new ATOM 0 HA THR A 76 4.110 7.851 -3.541 1.00 0.64 H new ATOM 0 HB THR A 76 6.383 8.235 -3.044 1.00 0.89 H new ATOM 0 HG1 THR A 76 7.085 8.734 -0.862 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.505 10.576 -2.267 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.162 10.330 -3.409 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.834 10.457 -1.665 1.00 1.07 H new ATOM 1199 N VAL A 77 5.241 5.624 -2.649 1.00 0.53 N ATOM 1200 CA VAL A 77 5.430 4.231 -2.257 1.00 0.49 C ATOM 1201 C VAL A 77 6.107 4.132 -0.894 1.00 0.40 C ATOM 1202 O VAL A 77 6.024 3.103 -0.223 1.00 0.39 O ATOM 1203 CB VAL A 77 6.272 3.461 -3.294 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.093 1.961 -3.118 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.902 3.886 -4.706 1.00 1.25 C ATOM 0 H VAL A 77 5.757 5.901 -3.484 1.00 0.53 H new ATOM 0 HA VAL A 77 4.439 3.781 -2.202 1.00 0.49 H new ATOM 0 HB VAL A 77 7.323 3.701 -3.131 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.695 1.433 -3.858 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.413 1.671 -2.117 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.043 1.702 -3.252 1.00 1.22 H new ATOM 0 HG21 VAL A 77 6.507 3.331 -5.423 1.00 1.25 H new ATOM 0 HG22 VAL A 77 4.847 3.678 -4.884 1.00 1.25 H new ATOM 0 HG23 VAL A 77 6.086 4.954 -4.825 1.00 1.25 H new ATOM 1215 N GLN A 78 6.776 5.208 -0.491 1.00 0.42 N ATOM 1216 CA GLN A 78 7.467 5.245 0.794 1.00 0.42 C ATOM 1217 C GLN A 78 6.493 5.014 1.945 1.00 0.37 C ATOM 1218 O GLN A 78 6.664 4.088 2.739 1.00 0.35 O ATOM 1219 CB GLN A 78 8.173 6.590 0.974 1.00 0.54 C ATOM 1220 CG GLN A 78 9.243 6.576 2.054 1.00 1.05 C ATOM 1221 CD GLN A 78 9.604 7.968 2.534 1.00 1.49 C ATOM 1222 OE1 GLN A 78 10.777 8.336 2.583 1.00 2.24 O ATOM 1223 NE2 GLN A 78 8.592 8.750 2.894 1.00 1.87 N ATOM 0 H GLN A 78 6.854 6.067 -1.036 1.00 0.42 H new ATOM 0 HA GLN A 78 8.208 4.445 0.803 1.00 0.42 H new ATOM 0 HB2 GLN A 78 8.628 6.882 0.027 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.431 7.350 1.219 1.00 0.54 H new ATOM 0 HG2 GLN A 78 8.893 5.983 2.899 1.00 1.05 H new ATOM 0 HG3 GLN A 78 10.137 6.085 1.669 1.00 1.05 H new ATOM 0 HE21 GLN A 78 7.634 8.403 2.837 1.00 1.87 H new ATOM 0 HE22 GLN A 78 8.773 9.697 3.227 1.00 1.87 H new ATOM 1232 N THR A 79 5.473 5.864 2.027 1.00 0.42 N ATOM 1233 CA THR A 79 4.468 5.758 3.079 1.00 0.45 C ATOM 1234 C THR A 79 3.837 4.368 3.106 1.00 0.39 C ATOM 1235 O THR A 79 3.484 3.858 4.170 1.00 0.40 O ATOM 1236 CB THR A 79 3.357 6.811 2.901 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.936 8.095 2.639 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.480 6.890 4.142 1.00 0.71 C ATOM 0 H THR A 79 5.321 6.635 1.376 1.00 0.42 H new ATOM 0 HA THR A 79 4.982 5.936 4.024 1.00 0.45 H new ATOM 0 HB THR A 79 2.737 6.512 2.056 1.00 0.56 H new ATOM 0 HG1 THR A 79 3.247 8.700 2.293 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.704 7.640 3.992 1.00 0.71 H new ATOM 0 HG22 THR A 79 2.017 5.920 4.323 1.00 0.71 H new ATOM 0 HG23 THR A 79 3.090 7.167 5.002 1.00 0.71 H new ATOM 1246 N LEU A 80 3.697 3.762 1.930 1.00 0.35 N ATOM 1247 CA LEU A 80 3.107 2.431 1.820 1.00 0.34 C ATOM 1248 C LEU A 80 3.922 1.408 2.605 1.00 0.32 C ATOM 1249 O LEU A 80 3.365 0.516 3.245 1.00 0.34 O ATOM 1250 CB LEU A 80 3.013 2.012 0.349 1.00 0.37 C ATOM 1251 CG LEU A 80 2.461 0.605 0.103 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.028 0.495 0.602 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.540 0.256 -1.375 1.00 0.50 C ATOM 0 H LEU A 80 3.984 4.171 1.041 1.00 0.35 H new ATOM 0 HA LEU A 80 2.103 2.468 2.243 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.382 2.729 -0.176 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.007 2.077 -0.094 1.00 0.37 H new ATOM 0 HG LEU A 80 3.071 -0.106 0.660 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.655 -0.512 0.418 1.00 0.47 H new ATOM 0 HD12 LEU A 80 0.998 0.703 1.672 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.403 1.216 0.075 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.144 -0.747 -1.534 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.954 0.973 -1.950 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.579 0.292 -1.702 1.00 0.50 H new ATOM 1265 N PHE A 81 5.243 1.540 2.548 1.00 0.33 N ATOM 1266 CA PHE A 81 6.134 0.630 3.260 1.00 0.36 C ATOM 1267 C PHE A 81 5.905 0.713 4.767 1.00 0.37 C ATOM 1268 O PHE A 81 5.732 -0.307 5.436 1.00 0.38 O ATOM 1269 CB PHE A 81 7.594 0.953 2.937 1.00 0.41 C ATOM 1270 CG PHE A 81 8.547 -0.157 3.280 1.00 0.47 C ATOM 1271 CD1 PHE A 81 8.832 -1.152 2.358 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.155 -0.206 4.523 1.00 0.55 C ATOM 1273 CE1 PHE A 81 9.707 -2.175 2.671 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.031 -1.227 4.842 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.314 -2.208 3.913 1.00 0.73 C ATOM 0 H PHE A 81 5.721 2.268 2.016 1.00 0.33 H new ATOM 0 HA PHE A 81 5.913 -0.385 2.931 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.681 1.179 1.874 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.887 1.852 3.479 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.365 -1.128 1.384 1.00 0.59 H new ATOM 0 HD2 PHE A 81 8.943 0.562 5.252 1.00 0.55 H new ATOM 0 HE1 PHE A 81 9.916 -2.948 1.946 1.00 0.71 H new ATOM 0 HE2 PHE A 81 10.494 -1.257 5.817 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.008 -2.999 4.156 1.00 0.73 H new ATOM 1285 N ALA A 82 5.908 1.935 5.292 1.00 0.45 N ATOM 1286 CA ALA A 82 5.702 2.159 6.720 1.00 0.52 C ATOM 1287 C ALA A 82 4.330 1.665 7.171 1.00 0.45 C ATOM 1288 O ALA A 82 4.136 1.329 8.339 1.00 0.43 O ATOM 1289 CB ALA A 82 5.863 3.635 7.049 1.00 0.67 C ATOM 0 H ALA A 82 6.051 2.787 4.749 1.00 0.45 H new ATOM 0 HA ALA A 82 6.457 1.587 7.260 1.00 0.52 H new ATOM 0 HB1 ALA A 82 5.707 3.789 8.117 1.00 0.67 H new ATOM 0 HB2 ALA A 82 6.867 3.961 6.778 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.130 4.215 6.488 1.00 0.67 H new ATOM 1295 N LEU A 83 3.384 1.623 6.238 1.00 0.44 N ATOM 1296 CA LEU A 83 2.029 1.176 6.544 1.00 0.41 C ATOM 1297 C LEU A 83 2.013 -0.301 6.931 1.00 0.36 C ATOM 1298 O LEU A 83 1.506 -0.665 7.993 1.00 0.36 O ATOM 1299 CB LEU A 83 1.111 1.417 5.340 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.238 0.692 5.388 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -1.123 1.277 6.479 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.932 0.775 4.037 1.00 1.23 C ATOM 0 H LEU A 83 3.530 1.893 5.265 1.00 0.44 H new ATOM 0 HA LEU A 83 1.663 1.753 7.393 1.00 0.41 H new ATOM 0 HB2 LEU A 83 0.926 2.488 5.254 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.637 1.111 4.436 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.057 -0.357 5.621 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -2.076 0.749 6.497 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.630 1.168 7.445 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -1.298 2.334 6.278 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.889 0.255 4.087 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -1.100 1.820 3.778 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.305 0.309 3.277 1.00 1.23 H new ATOM 1314 N PHE A 84 2.570 -1.145 6.067 1.00 0.37 N ATOM 1315 CA PHE A 84 2.616 -2.581 6.322 1.00 0.39 C ATOM 1316 C PHE A 84 3.347 -2.886 7.626 1.00 0.39 C ATOM 1317 O PHE A 84 3.066 -3.890 8.282 1.00 0.41 O ATOM 1318 CB PHE A 84 3.295 -3.306 5.157 1.00 0.45 C ATOM 1319 CG PHE A 84 2.456 -3.353 3.912 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.152 -3.821 3.956 1.00 0.46 C ATOM 1321 CD2 PHE A 84 2.972 -2.932 2.695 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.378 -3.868 2.812 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.203 -2.978 1.548 1.00 0.41 C ATOM 1324 CZ PHE A 84 0.902 -3.435 1.608 1.00 0.42 C ATOM 0 H PHE A 84 2.995 -0.859 5.185 1.00 0.37 H new ATOM 0 HA PHE A 84 1.591 -2.938 6.415 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.239 -2.810 4.931 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.535 -4.324 5.463 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.736 -4.153 4.896 1.00 0.46 H new ATOM 0 HD2 PHE A 84 3.986 -2.564 2.644 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.634 -4.242 2.858 1.00 0.46 H new ATOM 0 HE2 PHE A 84 2.620 -2.657 0.605 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.294 -3.454 0.716 1.00 0.42 H new ATOM 1334 N LYS A 85 4.287 -2.019 7.992 1.00 0.43 N ATOM 1335 CA LYS A 85 5.052 -2.192 9.222 1.00 0.47 C ATOM 1336 C LYS A 85 4.120 -2.364 10.417 1.00 0.48 C ATOM 1337 O LYS A 85 4.387 -3.159 11.319 1.00 0.51 O ATOM 1338 CB LYS A 85 5.976 -0.993 9.447 1.00 0.56 C ATOM 1339 CG LYS A 85 7.368 -1.377 9.923 1.00 0.83 C ATOM 1340 CD LYS A 85 8.446 -0.755 9.052 1.00 0.64 C ATOM 1341 CE LYS A 85 9.784 -1.453 9.237 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.821 -0.532 9.779 1.00 1.59 N ATOM 0 H LYS A 85 4.537 -1.189 7.454 1.00 0.43 H new ATOM 0 HA LYS A 85 5.658 -3.092 9.122 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.061 -0.431 8.517 1.00 0.56 H new ATOM 0 HB3 LYS A 85 5.521 -0.327 10.181 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.502 -1.055 10.956 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.471 -2.462 9.912 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.147 -0.811 8.005 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.549 0.302 9.298 1.00 0.64 H new ATOM 0 HE2 LYS A 85 9.661 -2.299 9.913 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.119 -1.855 8.281 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.718 -1.046 9.890 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 10.957 0.263 9.122 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.513 -0.168 10.704 1.00 1.59 H new ATOM 1356 N LYS A 86 3.024 -1.609 10.415 1.00 0.52 N ATOM 1357 CA LYS A 86 2.043 -1.676 11.494 1.00 0.59 C ATOM 1358 C LYS A 86 1.463 -3.082 11.614 1.00 0.61 C ATOM 1359 O LYS A 86 1.231 -3.577 12.717 1.00 0.69 O ATOM 1360 CB LYS A 86 0.918 -0.669 11.251 1.00 0.71 C ATOM 1361 CG LYS A 86 1.205 0.713 11.812 1.00 1.05 C ATOM 1362 CD LYS A 86 0.116 1.706 11.439 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.062 1.626 12.397 1.00 1.84 C ATOM 1364 NZ LYS A 86 -0.775 2.307 13.689 1.00 2.31 N ATOM 0 H LYS A 86 2.793 -0.943 9.677 1.00 0.52 H new ATOM 0 HA LYS A 86 2.549 -1.429 12.427 1.00 0.59 H new ATOM 0 HB2 LYS A 86 0.741 -0.587 10.179 1.00 0.71 H new ATOM 0 HB3 LYS A 86 -0.001 -1.049 11.697 1.00 0.71 H new ATOM 0 HG2 LYS A 86 1.289 0.655 12.897 1.00 1.05 H new ATOM 0 HG3 LYS A 86 2.165 1.067 11.436 1.00 1.05 H new ATOM 0 HD2 LYS A 86 0.525 2.716 11.447 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.226 1.508 10.423 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.938 2.081 11.934 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -1.307 0.581 12.584 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -1.625 2.289 14.287 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 0.001 1.815 14.176 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -0.500 3.294 13.508 1.00 2.31 H new ATOM 1378 N LEU A 87 1.231 -3.720 10.469 1.00 0.61 N ATOM 1379 CA LEU A 87 0.674 -5.069 10.440 1.00 0.70 C ATOM 1380 C LEU A 87 1.783 -6.116 10.403 1.00 0.63 C ATOM 1381 O LEU A 87 1.531 -7.284 10.101 1.00 0.74 O ATOM 1382 CB LEU A 87 -0.242 -5.237 9.224 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.736 -5.019 9.491 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -2.259 -6.040 10.490 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.994 -3.602 9.989 1.00 1.46 C ATOM 0 H LEU A 87 1.421 -3.323 9.549 1.00 0.61 H new ATOM 0 HA LEU A 87 0.092 -5.215 11.350 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.077 -4.538 8.451 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -0.105 -6.241 8.823 1.00 0.80 H new ATOM 0 HG LEU A 87 -2.272 -5.154 8.551 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -3.321 -5.867 10.665 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -2.116 -7.045 10.092 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.716 -5.941 11.430 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -3.060 -3.469 10.172 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -1.443 -3.436 10.915 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.663 -2.886 9.237 1.00 1.46 H new ATOM 1397 N LYS A 88 3.006 -5.683 10.712 1.00 0.52 N ATOM 1398 CA LYS A 88 4.178 -6.563 10.724 1.00 0.53 C ATOM 1399 C LYS A 88 4.147 -7.559 9.565 1.00 0.51 C ATOM 1400 O LYS A 88 4.407 -8.749 9.746 1.00 0.56 O ATOM 1401 CB LYS A 88 4.304 -7.301 12.066 1.00 0.69 C ATOM 1402 CG LYS A 88 3.080 -8.113 12.460 1.00 1.16 C ATOM 1403 CD LYS A 88 3.100 -8.467 13.939 1.00 1.45 C ATOM 1404 CE LYS A 88 2.049 -7.688 14.713 1.00 2.05 C ATOM 1405 NZ LYS A 88 2.140 -7.937 16.179 1.00 2.87 N ATOM 0 H LYS A 88 3.213 -4.716 10.960 1.00 0.52 H new ATOM 0 HA LYS A 88 5.056 -5.930 10.597 1.00 0.53 H new ATOM 0 HB2 LYS A 88 5.166 -7.967 12.020 1.00 0.69 H new ATOM 0 HB3 LYS A 88 4.507 -6.571 12.849 1.00 0.69 H new ATOM 0 HG2 LYS A 88 2.177 -7.546 12.232 1.00 1.16 H new ATOM 0 HG3 LYS A 88 3.041 -9.026 11.866 1.00 1.16 H new ATOM 0 HD2 LYS A 88 2.925 -9.536 14.061 1.00 1.45 H new ATOM 0 HD3 LYS A 88 4.087 -8.257 14.351 1.00 1.45 H new ATOM 0 HE2 LYS A 88 2.170 -6.622 14.518 1.00 2.05 H new ATOM 0 HE3 LYS A 88 1.057 -7.966 14.358 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 1.406 -7.388 16.671 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 1.999 -8.950 16.368 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 3.078 -7.648 16.523 1.00 2.87 H new ATOM 1419 N LEU A 89 3.826 -7.061 8.373 1.00 0.47 N ATOM 1420 CA LEU A 89 3.761 -7.902 7.183 1.00 0.46 C ATOM 1421 C LEU A 89 5.115 -7.951 6.477 1.00 0.45 C ATOM 1422 O LEU A 89 5.284 -7.383 5.397 1.00 0.43 O ATOM 1423 CB LEU A 89 2.690 -7.380 6.220 1.00 0.48 C ATOM 1424 CG LEU A 89 1.247 -7.585 6.686 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.306 -6.663 5.926 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.829 -9.037 6.509 1.00 1.31 C ATOM 0 H LEU A 89 3.607 -6.079 8.207 1.00 0.47 H new ATOM 0 HA LEU A 89 3.497 -8.912 7.497 1.00 0.46 H new ATOM 0 HB2 LEU A 89 2.856 -6.315 6.058 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.818 -7.872 5.256 1.00 0.48 H new ATOM 0 HG LEU A 89 1.190 -7.338 7.746 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.716 -6.822 6.270 1.00 1.25 H new ATOM 0 HD12 LEU A 89 0.591 -5.626 6.103 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.368 -6.879 4.859 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.200 -9.163 6.846 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.902 -9.311 5.457 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.485 -9.679 7.098 1.00 1.31 H new ATOM 1438 N HIS A 90 6.074 -8.632 7.097 1.00 0.55 N ATOM 1439 CA HIS A 90 7.417 -8.761 6.536 1.00 0.64 C ATOM 1440 C HIS A 90 7.368 -9.295 5.106 1.00 0.60 C ATOM 1441 O HIS A 90 8.197 -8.934 4.270 1.00 0.69 O ATOM 1442 CB HIS A 90 8.268 -9.685 7.405 1.00 0.81 C ATOM 1443 CG HIS A 90 9.446 -9.003 8.030 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.704 -9.007 7.465 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.552 -8.293 9.178 1.00 0.98 C ATOM 1446 CE1 HIS A 90 11.533 -8.328 8.239 1.00 1.84 C ATOM 1447 NE2 HIS A 90 10.858 -7.884 9.283 1.00 1.38 N ATOM 0 H HIS A 90 5.946 -9.105 7.992 1.00 0.55 H new ATOM 0 HA HIS A 90 7.868 -7.769 6.517 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.643 -10.107 8.192 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.621 -10.518 6.797 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.757 -8.087 9.880 1.00 0.98 H new ATOM 0 HE1 HIS A 90 12.584 -8.164 8.050 1.00 1.84 H new ATOM 0 HE2 HIS A 90 11.245 -7.327 10.045 1.00 1.38 H new ATOM 1456 N ASN A 91 6.393 -10.158 4.833 1.00 0.54 N ATOM 1457 CA ASN A 91 6.239 -10.744 3.507 1.00 0.55 C ATOM 1458 C ASN A 91 5.805 -9.695 2.488 1.00 0.46 C ATOM 1459 O ASN A 91 6.454 -9.510 1.458 1.00 0.45 O ATOM 1460 CB ASN A 91 5.220 -11.885 3.544 1.00 0.63 C ATOM 1461 CG ASN A 91 5.738 -13.146 2.880 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.948 -13.180 1.667 1.00 1.98 O ATOM 1463 ND2 ASN A 91 5.946 -14.190 3.673 1.00 1.60 N ATOM 0 H ASN A 91 5.698 -10.466 5.513 1.00 0.54 H new ATOM 0 HA ASN A 91 7.208 -11.139 3.202 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.961 -12.104 4.580 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.304 -11.566 3.047 1.00 0.63 H new ATOM 0 HD21 ASN A 91 6.294 -15.066 3.282 1.00 1.60 H new ATOM 0 HD22 ASN A 91 5.758 -14.116 4.673 1.00 1.60 H new ATOM 1470 N ALA A 92 4.702 -9.013 2.783 1.00 0.42 N ATOM 1471 CA ALA A 92 4.173 -7.981 1.896 1.00 0.39 C ATOM 1472 C ALA A 92 5.232 -6.935 1.561 1.00 0.36 C ATOM 1473 O ALA A 92 5.188 -6.312 0.500 1.00 0.38 O ATOM 1474 CB ALA A 92 2.958 -7.318 2.527 1.00 0.41 C ATOM 0 H ALA A 92 4.156 -9.157 3.632 1.00 0.42 H new ATOM 0 HA ALA A 92 3.874 -8.462 0.965 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.573 -6.550 1.856 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.186 -8.067 2.703 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.244 -6.861 3.475 1.00 0.41 H new ATOM 1480 N MET A 93 6.175 -6.740 2.476 1.00 0.39 N ATOM 1481 CA MET A 93 7.244 -5.765 2.277 1.00 0.43 C ATOM 1482 C MET A 93 8.066 -6.091 1.033 1.00 0.40 C ATOM 1483 O MET A 93 8.134 -5.294 0.098 1.00 0.39 O ATOM 1484 CB MET A 93 8.155 -5.720 3.505 1.00 0.55 C ATOM 1485 CG MET A 93 7.705 -4.722 4.559 1.00 0.71 C ATOM 1486 SD MET A 93 8.564 -4.935 6.129 1.00 1.06 S ATOM 1487 CE MET A 93 7.598 -3.865 7.193 1.00 1.29 C ATOM 0 H MET A 93 6.222 -7.243 3.362 1.00 0.39 H new ATOM 0 HA MET A 93 6.783 -4.788 2.135 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.198 -6.713 3.952 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.167 -5.469 3.187 1.00 0.55 H new ATOM 0 HG2 MET A 93 7.874 -3.710 4.191 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.632 -4.828 4.719 1.00 0.71 H new ATOM 0 HE1 MET A 93 7.928 -3.984 8.225 1.00 1.29 H new ATOM 0 HE2 MET A 93 7.734 -2.828 6.886 1.00 1.29 H new ATOM 0 HE3 MET A 93 6.544 -4.131 7.116 1.00 1.29 H new ATOM 1497 N ARG A 94 8.695 -7.264 1.033 1.00 0.44 N ATOM 1498 CA ARG A 94 9.519 -7.696 -0.093 1.00 0.45 C ATOM 1499 C ARG A 94 8.711 -7.742 -1.390 1.00 0.44 C ATOM 1500 O ARG A 94 9.278 -7.751 -2.483 1.00 0.49 O ATOM 1501 CB ARG A 94 10.135 -9.069 0.193 1.00 0.55 C ATOM 1502 CG ARG A 94 9.193 -10.235 -0.068 1.00 1.28 C ATOM 1503 CD ARG A 94 9.537 -11.436 0.798 1.00 1.44 C ATOM 1504 NE ARG A 94 10.980 -11.625 0.930 1.00 1.97 N ATOM 1505 CZ ARG A 94 11.727 -12.257 0.029 1.00 2.47 C ATOM 1506 NH1 ARG A 94 11.172 -12.759 -1.066 1.00 2.58 N ATOM 1507 NH2 ARG A 94 13.032 -12.385 0.223 1.00 3.39 N ATOM 0 H ARG A 94 8.650 -7.933 1.801 1.00 0.44 H new ATOM 0 HA ARG A 94 10.318 -6.966 -0.219 1.00 0.45 H new ATOM 0 HB2 ARG A 94 11.027 -9.191 -0.421 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.458 -9.102 1.234 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.167 -9.926 0.129 1.00 1.28 H new ATOM 0 HG3 ARG A 94 9.245 -10.517 -1.120 1.00 1.28 H new ATOM 0 HD2 ARG A 94 9.097 -11.307 1.787 1.00 1.44 H new ATOM 0 HD3 ARG A 94 9.093 -12.333 0.366 1.00 1.44 H new ATOM 0 HE ARG A 94 11.440 -11.251 1.760 1.00 1.97 H new ATOM 0 HH11 ARG A 94 10.168 -12.661 -1.220 1.00 2.58 H new ATOM 0 HH12 ARG A 94 11.749 -13.243 -1.754 1.00 2.58 H new ATOM 0 HH21 ARG A 94 13.463 -11.999 1.063 1.00 3.39 H new ATOM 0 HH22 ARG A 94 13.605 -12.870 -0.468 1.00 3.39 H new ATOM 1521 N LEU A 95 7.388 -7.769 -1.263 1.00 0.44 N ATOM 1522 CA LEU A 95 6.508 -7.816 -2.427 1.00 0.47 C ATOM 1523 C LEU A 95 6.511 -6.487 -3.176 1.00 0.46 C ATOM 1524 O LEU A 95 6.337 -6.452 -4.395 1.00 0.52 O ATOM 1525 CB LEU A 95 5.081 -8.170 -2.001 1.00 0.53 C ATOM 1526 CG LEU A 95 4.602 -9.561 -2.425 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.229 -10.390 -1.206 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.421 -9.453 -3.377 1.00 0.67 C ATOM 0 H LEU A 95 6.901 -7.759 -0.367 1.00 0.44 H new ATOM 0 HA LEU A 95 6.884 -8.588 -3.098 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.013 -8.095 -0.916 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.400 -7.427 -2.415 1.00 0.53 H new ATOM 0 HG LEU A 95 5.418 -10.061 -2.946 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.891 -11.376 -1.526 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.099 -10.497 -0.559 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.429 -9.892 -0.658 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.095 -10.452 -3.667 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.601 -8.933 -2.882 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.720 -8.897 -4.265 1.00 0.67 H new ATOM 1540 N ILE A 96 6.709 -5.394 -2.442 1.00 0.43 N ATOM 1541 CA ILE A 96 6.733 -4.065 -3.043 1.00 0.50 C ATOM 1542 C ILE A 96 8.098 -3.403 -2.881 1.00 0.61 C ATOM 1543 O ILE A 96 8.270 -2.227 -3.202 1.00 1.29 O ATOM 1544 CB ILE A 96 5.658 -3.148 -2.428 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.652 -3.279 -0.904 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.288 -3.478 -3.001 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.507 -1.956 -0.184 1.00 0.48 C ATOM 0 H ILE A 96 6.855 -5.404 -1.433 1.00 0.43 H new ATOM 0 HA ILE A 96 6.524 -4.201 -4.104 1.00 0.50 H new ATOM 0 HB ILE A 96 5.896 -2.115 -2.682 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.835 -3.936 -0.607 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.578 -3.757 -0.585 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.540 -2.822 -2.556 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.301 -3.334 -4.081 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.040 -4.515 -2.776 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.511 -2.125 0.893 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.338 -1.303 -0.451 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.568 -1.485 -0.474 1.00 0.48 H new ATOM 1559 N LYS A 97 9.067 -4.164 -2.381 1.00 0.66 N ATOM 1560 CA LYS A 97 10.416 -3.649 -2.182 1.00 0.66 C ATOM 1561 C LYS A 97 11.114 -3.425 -3.520 1.00 0.82 C ATOM 1562 O LYS A 97 12.081 -2.671 -3.609 1.00 1.43 O ATOM 1563 CB LYS A 97 11.230 -4.617 -1.323 1.00 0.74 C ATOM 1564 CG LYS A 97 11.603 -4.056 0.038 1.00 1.33 C ATOM 1565 CD LYS A 97 13.111 -3.948 0.203 1.00 1.77 C ATOM 1566 CE LYS A 97 13.541 -4.272 1.625 1.00 2.29 C ATOM 1567 NZ LYS A 97 15.008 -4.102 1.815 1.00 2.85 N ATOM 0 H LYS A 97 8.943 -5.139 -2.107 1.00 0.66 H new ATOM 0 HA LYS A 97 10.343 -2.691 -1.667 1.00 0.66 H new ATOM 0 HB2 LYS A 97 10.659 -5.535 -1.184 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.141 -4.886 -1.858 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.151 -3.072 0.163 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.195 -4.696 0.821 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.604 -4.629 -0.491 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.435 -2.940 -0.055 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.008 -3.625 2.322 1.00 2.29 H new ATOM 0 HE3 LYS A 97 13.261 -5.298 1.864 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 15.260 -4.333 2.797 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 15.518 -4.737 1.169 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 15.272 -3.117 1.612 1.00 2.85 H new ATOM 1581 N ASP A 98 10.616 -4.092 -4.557 1.00 0.74 N ATOM 1582 CA ASP A 98 11.186 -3.973 -5.896 1.00 0.85 C ATOM 1583 C ASP A 98 10.979 -2.572 -6.469 1.00 0.73 C ATOM 1584 O ASP A 98 11.475 -2.257 -7.551 1.00 0.84 O ATOM 1585 CB ASP A 98 10.564 -5.013 -6.827 1.00 1.04 C ATOM 1586 CG ASP A 98 11.582 -6.009 -7.345 1.00 1.30 C ATOM 1587 OD1 ASP A 98 12.628 -5.572 -7.872 1.00 1.64 O ATOM 1588 OD2 ASP A 98 11.336 -7.228 -7.225 1.00 1.63 O ATOM 0 H ASP A 98 9.817 -4.722 -4.496 1.00 0.74 H new ATOM 0 HA ASP A 98 12.259 -4.151 -5.819 1.00 0.85 H new ATOM 0 HB2 ASP A 98 9.776 -5.547 -6.296 1.00 1.04 H new ATOM 0 HB3 ASP A 98 10.094 -4.507 -7.670 1.00 1.04 H new ATOM 1593 N TYR A 99 10.245 -1.733 -5.740 1.00 0.60 N ATOM 1594 CA TYR A 99 9.974 -0.369 -6.188 1.00 0.64 C ATOM 1595 C TYR A 99 10.758 0.649 -5.365 1.00 0.78 C ATOM 1596 O TYR A 99 11.291 1.618 -5.906 1.00 1.08 O ATOM 1597 CB TYR A 99 8.476 -0.073 -6.100 1.00 0.63 C ATOM 1598 CG TYR A 99 7.620 -1.060 -6.858 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.416 -0.927 -8.226 1.00 0.74 C ATOM 1600 CD2 TYR A 99 7.013 -2.128 -6.207 1.00 0.75 C ATOM 1601 CE1 TYR A 99 6.633 -1.827 -8.922 1.00 0.84 C ATOM 1602 CE2 TYR A 99 6.228 -3.032 -6.896 1.00 0.92 C ATOM 1603 CZ TYR A 99 6.044 -2.879 -8.253 1.00 0.93 C ATOM 1604 OH TYR A 99 5.261 -3.775 -8.943 1.00 1.13 O ATOM 0 H TYR A 99 9.829 -1.973 -4.840 1.00 0.60 H new ATOM 0 HA TYR A 99 10.296 -0.285 -7.226 1.00 0.64 H new ATOM 0 HB2 TYR A 99 8.175 -0.073 -5.052 1.00 0.63 H new ATOM 0 HB3 TYR A 99 8.289 0.929 -6.486 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.878 -0.106 -8.754 1.00 0.74 H new ATOM 0 HD2 TYR A 99 7.158 -2.253 -5.144 1.00 0.75 H new ATOM 0 HE1 TYR A 99 6.483 -1.707 -9.985 1.00 0.84 H new ATOM 0 HE2 TYR A 99 5.761 -3.854 -6.374 1.00 0.92 H new ATOM 0 HH TYR A 99 4.922 -4.456 -8.326 1.00 1.13 H new ATOM 1614 N VAL A 100 10.823 0.424 -4.057 1.00 0.68 N ATOM 1615 CA VAL A 100 11.545 1.321 -3.162 1.00 0.84 C ATOM 1616 C VAL A 100 12.942 0.788 -2.871 1.00 1.12 C ATOM 1617 O VAL A 100 13.222 -0.389 -3.103 1.00 1.37 O ATOM 1618 CB VAL A 100 10.796 1.508 -1.830 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.422 2.115 -2.066 1.00 0.99 C ATOM 1620 CG2 VAL A 100 10.684 0.180 -1.097 1.00 0.84 C ATOM 0 H VAL A 100 10.385 -0.372 -3.593 1.00 0.68 H new ATOM 0 HA VAL A 100 11.619 2.284 -3.667 1.00 0.84 H new ATOM 0 HB VAL A 100 11.365 2.198 -1.206 1.00 0.72 H new ATOM 0 HG11 VAL A 100 8.910 2.238 -1.112 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.531 3.087 -2.548 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.838 1.455 -2.708 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.152 0.327 -0.157 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.138 -0.532 -1.715 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.682 -0.208 -0.893 1.00 0.84 H new