USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -1.38! X(o=-1.9!,f=-1.6) USER MOD Set 1.2: A 62 CYS SG : rot 115:sc= -0.5 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.4!) USER MOD Single : A 18 GLN : amide:sc= -1.95! K(o=-1.9!,f=-2.5) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 30 CYS SG : rot 145:sc= 0.972 USER MOD Single : A 33 ASN : amide:sc= -1.61 K(o=-1.6,f=0.17) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 46 THR OG1 : rot -177:sc=-0.00952 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 71 MET CE :methyl -111:sc= -2.48! (180deg=-3.54!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 108:sc= 0.766 USER MOD Single : A 81 CYS SG : rot -131:sc= 0.801 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 60:sc= -0.619 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 162:sc= -0.207 (180deg=-0.952) USER MOD Single : A 91 THR OG1 : rot 0:sc= 0.0781 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.254 15.666 4.703 1.00 0.00 N ATOM 81 CA ALA A 9 -13.043 15.975 3.295 1.00 0.00 C ATOM 82 C ALA A 9 -13.561 14.853 2.403 1.00 0.00 C ATOM 83 O ALA A 9 -13.590 13.690 2.806 1.00 0.00 O ATOM 84 CB ALA A 9 -11.567 16.228 3.025 1.00 0.00 C ATOM 0 HA ALA A 9 -13.604 16.879 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.424 16.458 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.226 17.069 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.992 15.339 3.284 1.00 0.00 H new ATOM 90 N ARG A 10 -13.969 15.208 1.189 1.00 0.00 N ATOM 91 CA ARG A 10 -14.488 14.230 0.240 1.00 0.00 C ATOM 92 C ARG A 10 -13.469 13.946 -0.859 1.00 0.00 C ATOM 93 O ARG A 10 -12.900 14.866 -1.447 1.00 0.00 O ATOM 94 CB ARG A 10 -15.795 14.731 -0.378 1.00 0.00 C ATOM 95 CG ARG A 10 -15.691 16.124 -0.975 1.00 0.00 C ATOM 96 CD ARG A 10 -16.913 16.463 -1.815 1.00 0.00 C ATOM 97 NE ARG A 10 -16.902 17.853 -2.262 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.938 18.445 -2.847 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.061 17.771 -3.054 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.851 19.714 -3.226 1.00 0.00 N ATOM 0 H ARG A 10 -13.950 16.166 0.839 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.682 13.303 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.110 14.034 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.572 14.729 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.583 16.857 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.795 16.191 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.951 15.804 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.816 16.277 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.053 18.399 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.131 16.796 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.855 18.228 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.989 20.235 -3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.647 20.168 -3.675 1.00 0.00 H new ATOM 114 N PHE A 11 -13.243 12.665 -1.133 1.00 0.00 N ATOM 115 CA PHE A 11 -12.292 12.259 -2.161 1.00 0.00 C ATOM 116 C PHE A 11 -12.732 12.754 -3.535 1.00 0.00 C ATOM 117 O PHE A 11 -13.639 12.191 -4.149 1.00 0.00 O ATOM 118 CB PHE A 11 -12.146 10.736 -2.178 1.00 0.00 C ATOM 119 CG PHE A 11 -11.547 10.177 -0.919 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.174 10.046 -0.789 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.357 9.782 0.134 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.620 9.531 0.368 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.808 9.267 1.293 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.438 9.142 1.411 1.00 0.00 C ATOM 0 H PHE A 11 -13.706 11.890 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.327 12.707 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.127 10.287 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.524 10.448 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.529 10.350 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.429 9.878 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.548 9.433 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.450 8.962 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.007 8.741 2.316 1.00 0.00 H new ATOM 134 N ILE A 12 -12.083 13.812 -4.011 1.00 0.00 N ATOM 135 CA ILE A 12 -12.407 14.383 -5.313 1.00 0.00 C ATOM 136 C ILE A 12 -11.928 13.480 -6.444 1.00 0.00 C ATOM 137 O ILE A 12 -12.522 13.451 -7.521 1.00 0.00 O ATOM 138 CB ILE A 12 -11.780 15.780 -5.486 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.254 15.689 -5.424 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.304 16.730 -4.420 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.556 16.952 -5.877 1.00 0.00 C ATOM 0 H ILE A 12 -11.331 14.290 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.492 14.472 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.062 16.171 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.953 15.464 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.922 14.857 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.852 17.713 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.387 16.813 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.048 16.346 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.477 16.816 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.828 17.168 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.859 17.784 -5.241 1.00 0.00 H new ATOM 153 N GLU A 13 -10.851 12.743 -6.190 1.00 0.00 N ATOM 154 CA GLU A 13 -10.293 11.837 -7.188 1.00 0.00 C ATOM 155 C GLU A 13 -10.190 10.418 -6.637 1.00 0.00 C ATOM 156 O GLU A 13 -9.479 10.169 -5.663 1.00 0.00 O ATOM 157 CB GLU A 13 -8.913 12.324 -7.636 1.00 0.00 C ATOM 158 CG GLU A 13 -8.966 13.469 -8.632 1.00 0.00 C ATOM 159 CD GLU A 13 -7.587 13.936 -9.058 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.868 13.145 -9.704 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.228 15.090 -8.746 1.00 0.00 O ATOM 0 H GLU A 13 -10.348 12.755 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.963 11.827 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.347 12.641 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.370 11.491 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.527 13.154 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.508 14.305 -8.190 1.00 0.00 H new ATOM 168 N ASP A 14 -10.905 9.492 -7.267 1.00 0.00 N ATOM 169 CA ASP A 14 -10.894 8.097 -6.842 1.00 0.00 C ATOM 170 C ASP A 14 -9.672 7.370 -7.393 1.00 0.00 C ATOM 171 O ASP A 14 -9.329 7.511 -8.567 1.00 0.00 O ATOM 172 CB ASP A 14 -12.172 7.392 -7.300 1.00 0.00 C ATOM 173 CG ASP A 14 -12.682 7.923 -8.626 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.324 8.995 -8.629 1.00 0.00 O ATOM 175 OD2 ASP A 14 -12.439 7.267 -9.660 1.00 0.00 O ATOM 0 H ASP A 14 -11.499 9.682 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.846 8.075 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.982 6.322 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.944 7.516 -6.541 1.00 0.00 H new ATOM 180 N VAL A 15 -9.016 6.593 -6.537 1.00 0.00 N ATOM 181 CA VAL A 15 -7.831 5.843 -6.937 1.00 0.00 C ATOM 182 C VAL A 15 -8.120 4.966 -8.150 1.00 0.00 C ATOM 183 O VAL A 15 -9.277 4.696 -8.474 1.00 0.00 O ATOM 184 CB VAL A 15 -7.312 4.958 -5.789 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.965 5.807 -4.575 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.339 3.895 -5.430 1.00 0.00 C ATOM 0 H VAL A 15 -9.285 6.466 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.066 6.575 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.404 4.456 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.600 5.164 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.192 6.527 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.854 6.339 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.956 3.279 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.265 4.376 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.533 3.268 -6.300 1.00 0.00 H new ATOM 196 N LYS A 16 -7.061 4.522 -8.817 1.00 0.00 N ATOM 197 CA LYS A 16 -7.199 3.672 -9.995 1.00 0.00 C ATOM 198 C LYS A 16 -6.942 2.210 -9.643 1.00 0.00 C ATOM 199 O LYS A 16 -6.209 1.907 -8.703 1.00 0.00 O ATOM 200 CB LYS A 16 -6.230 4.122 -11.090 1.00 0.00 C ATOM 201 CG LYS A 16 -6.255 5.619 -11.347 1.00 0.00 C ATOM 202 CD LYS A 16 -7.617 6.077 -11.842 1.00 0.00 C ATOM 203 CE LYS A 16 -7.568 7.504 -12.366 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.218 7.552 -13.812 1.00 0.00 N ATOM 0 H LYS A 16 -6.097 4.736 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.221 3.765 -10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.218 3.826 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.472 3.599 -12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.002 6.151 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.494 5.875 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.962 5.410 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.342 6.011 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.535 7.981 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.835 8.075 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.195 8.542 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.284 7.119 -13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.931 7.029 -14.359 1.00 0.00 H new ATOM 218 N ASN A 17 -7.549 1.307 -10.407 1.00 0.00 N ATOM 219 CA ASN A 17 -7.384 -0.123 -10.177 1.00 0.00 C ATOM 220 C ASN A 17 -5.914 -0.477 -9.978 1.00 0.00 C ATOM 221 O ASN A 17 -5.029 0.166 -10.543 1.00 0.00 O ATOM 222 CB ASN A 17 -7.958 -0.920 -11.351 1.00 0.00 C ATOM 223 CG ASN A 17 -6.937 -1.147 -12.449 1.00 0.00 C ATOM 224 OD1 ASN A 17 -5.976 -1.896 -12.272 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.141 -0.499 -13.590 1.00 0.00 N ATOM 0 H ASN A 17 -8.159 1.541 -11.190 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.928 -0.384 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.320 -1.883 -10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.817 -0.389 -11.761 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.487 -0.612 -14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.952 0.112 -13.692 1.00 0.00 H new ATOM 232 N GLN A 18 -5.661 -1.504 -9.172 1.00 0.00 N ATOM 233 CA GLN A 18 -4.298 -1.942 -8.899 1.00 0.00 C ATOM 234 C GLN A 18 -4.027 -3.304 -9.530 1.00 0.00 C ATOM 235 O GLN A 18 -4.855 -4.211 -9.449 1.00 0.00 O ATOM 236 CB GLN A 18 -4.053 -2.009 -7.391 1.00 0.00 C ATOM 237 CG GLN A 18 -2.599 -1.798 -7.001 1.00 0.00 C ATOM 238 CD GLN A 18 -2.074 -0.438 -7.416 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.961 -0.320 -7.931 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.873 0.598 -7.194 1.00 0.00 N ATOM 0 H GLN A 18 -6.382 -2.047 -8.697 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.615 -1.215 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.666 -1.255 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.383 -2.980 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.497 -1.908 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.987 -2.575 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.787 0.454 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.573 1.538 -7.453 1.00 0.00 H new ATOM 249 N GLU A 19 -2.864 -3.439 -10.160 1.00 0.00 N ATOM 250 CA GLU A 19 -2.487 -4.691 -10.806 1.00 0.00 C ATOM 251 C GLU A 19 -0.971 -4.869 -10.804 1.00 0.00 C ATOM 252 O GLU A 19 -0.237 -4.029 -11.323 1.00 0.00 O ATOM 253 CB GLU A 19 -3.014 -4.729 -12.242 1.00 0.00 C ATOM 254 CG GLU A 19 -2.759 -6.049 -12.949 1.00 0.00 C ATOM 255 CD GLU A 19 -3.759 -6.321 -14.056 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.941 -5.954 -13.890 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.360 -6.900 -15.088 1.00 0.00 O ATOM 0 H GLU A 19 -2.167 -2.698 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.933 -5.510 -10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.086 -4.533 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.549 -3.925 -12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.752 -6.044 -13.367 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.798 -6.860 -12.222 1.00 0.00 H new ATOM 264 N ALA A 20 -0.511 -5.968 -10.216 1.00 0.00 N ATOM 265 CA ALA A 20 0.916 -6.257 -10.147 1.00 0.00 C ATOM 266 C ALA A 20 1.165 -7.746 -9.930 1.00 0.00 C ATOM 267 O ALA A 20 0.366 -8.432 -9.292 1.00 0.00 O ATOM 268 CB ALA A 20 1.567 -5.444 -9.037 1.00 0.00 C ATOM 0 H ALA A 20 -1.106 -6.673 -9.780 1.00 0.00 H new ATOM 0 HA ALA A 20 1.365 -5.975 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.633 -5.670 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.429 -4.381 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.106 -5.698 -8.082 1.00 0.00 H new ATOM 274 N ARG A 21 2.276 -8.240 -10.467 1.00 0.00 N ATOM 275 CA ARG A 21 2.628 -9.648 -10.333 1.00 0.00 C ATOM 276 C ARG A 21 3.031 -9.974 -8.898 1.00 0.00 C ATOM 277 O ARG A 21 3.654 -9.160 -8.218 1.00 0.00 O ATOM 278 CB ARG A 21 3.770 -10.003 -11.288 1.00 0.00 C ATOM 279 CG ARG A 21 3.309 -10.294 -12.707 1.00 0.00 C ATOM 280 CD ARG A 21 4.246 -11.265 -13.408 1.00 0.00 C ATOM 281 NE ARG A 21 4.276 -11.050 -14.853 1.00 0.00 N ATOM 282 CZ ARG A 21 4.983 -10.089 -15.438 1.00 0.00 C ATOM 283 NH1 ARG A 21 5.713 -9.259 -14.706 1.00 0.00 N ATOM 284 NH2 ARG A 21 4.959 -9.957 -16.758 1.00 0.00 N ATOM 0 H ARG A 21 2.947 -7.686 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 21 1.751 -10.242 -10.589 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.484 -9.180 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.299 -10.874 -10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.302 -10.710 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.258 -9.363 -13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.252 -11.154 -13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.930 -12.287 -13.200 1.00 0.00 H new ATOM 0 HE ARG A 21 3.724 -11.671 -15.445 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.733 -9.357 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.255 -8.522 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.398 -10.593 -17.324 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.502 -9.219 -17.207 1.00 0.00 H new ATOM 298 N GLU A 22 2.669 -11.171 -8.445 1.00 0.00 N ATOM 299 CA GLU A 22 2.991 -11.603 -7.090 1.00 0.00 C ATOM 300 C GLU A 22 4.396 -11.156 -6.697 1.00 0.00 C ATOM 301 O GLU A 22 5.256 -10.949 -7.552 1.00 0.00 O ATOM 302 CB GLU A 22 2.878 -13.125 -6.976 1.00 0.00 C ATOM 303 CG GLU A 22 1.494 -13.603 -6.568 1.00 0.00 C ATOM 304 CD GLU A 22 1.478 -15.063 -6.160 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.486 -15.530 -5.589 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.459 -15.739 -6.413 1.00 0.00 O ATOM 0 H GLU A 22 2.153 -11.857 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 22 2.277 -11.141 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.140 -13.573 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.606 -13.482 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.133 -12.994 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.803 -13.454 -7.398 1.00 0.00 H new ATOM 313 N GLY A 23 4.621 -11.009 -5.394 1.00 0.00 N ATOM 314 CA GLY A 23 5.922 -10.588 -4.909 1.00 0.00 C ATOM 315 C GLY A 23 6.244 -9.154 -5.284 1.00 0.00 C ATOM 316 O GLY A 23 7.411 -8.766 -5.335 1.00 0.00 O ATOM 0 H GLY A 23 3.925 -11.174 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.953 -10.693 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.689 -11.248 -5.315 1.00 0.00 H new ATOM 320 N ALA A 24 5.207 -8.367 -5.548 1.00 0.00 N ATOM 321 CA ALA A 24 5.385 -6.968 -5.920 1.00 0.00 C ATOM 322 C ALA A 24 4.838 -6.040 -4.841 1.00 0.00 C ATOM 323 O ALA A 24 4.363 -6.493 -3.799 1.00 0.00 O ATOM 324 CB ALA A 24 4.709 -6.687 -7.253 1.00 0.00 C ATOM 0 H ALA A 24 4.235 -8.674 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 24 6.453 -6.777 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.850 -5.639 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.149 -7.319 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.643 -6.901 -7.173 1.00 0.00 H new ATOM 330 N THR A 25 4.907 -4.737 -5.097 1.00 0.00 N ATOM 331 CA THR A 25 4.421 -3.744 -4.147 1.00 0.00 C ATOM 332 C THR A 25 3.372 -2.841 -4.784 1.00 0.00 C ATOM 333 O THR A 25 3.689 -2.008 -5.632 1.00 0.00 O ATOM 334 CB THR A 25 5.571 -2.874 -3.606 1.00 0.00 C ATOM 335 OG1 THR A 25 6.615 -3.707 -3.089 1.00 0.00 O ATOM 336 CG2 THR A 25 5.074 -1.938 -2.514 1.00 0.00 C ATOM 0 H THR A 25 5.295 -4.345 -5.955 1.00 0.00 H new ATOM 0 HA THR A 25 3.970 -4.292 -3.320 1.00 0.00 H new ATOM 0 HB THR A 25 5.960 -2.273 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.343 -3.146 -2.749 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.904 -1.334 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.301 -1.285 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.661 -2.524 -1.693 1.00 0.00 H new ATOM 344 N ALA A 26 2.120 -3.012 -4.369 1.00 0.00 N ATOM 345 CA ALA A 26 1.024 -2.210 -4.899 1.00 0.00 C ATOM 346 C ALA A 26 1.081 -0.782 -4.365 1.00 0.00 C ATOM 347 O ALA A 26 1.636 -0.530 -3.295 1.00 0.00 O ATOM 348 CB ALA A 26 -0.312 -2.851 -4.555 1.00 0.00 C ATOM 0 H ALA A 26 1.840 -3.698 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 26 1.127 -2.169 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.122 -2.242 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.359 -3.850 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.414 -2.921 -3.472 1.00 0.00 H new ATOM 354 N VAL A 27 0.505 0.149 -5.118 1.00 0.00 N ATOM 355 CA VAL A 27 0.490 1.552 -4.720 1.00 0.00 C ATOM 356 C VAL A 27 -0.870 2.185 -4.990 1.00 0.00 C ATOM 357 O VAL A 27 -1.339 2.214 -6.128 1.00 0.00 O ATOM 358 CB VAL A 27 1.575 2.357 -5.461 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.523 3.822 -5.056 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.951 1.769 -5.192 1.00 0.00 C ATOM 0 H VAL A 27 0.043 -0.042 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 27 0.694 1.580 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 27 1.382 2.294 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.296 4.375 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.545 4.234 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.690 3.909 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.705 2.350 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.157 1.799 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.979 0.736 -5.538 1.00 0.00 H new ATOM 370 N LEU A 28 -1.499 2.692 -3.936 1.00 0.00 N ATOM 371 CA LEU A 28 -2.808 3.327 -4.057 1.00 0.00 C ATOM 372 C LEU A 28 -2.725 4.813 -3.724 1.00 0.00 C ATOM 373 O LEU A 28 -2.493 5.189 -2.576 1.00 0.00 O ATOM 374 CB LEU A 28 -3.817 2.641 -3.135 1.00 0.00 C ATOM 375 CG LEU A 28 -4.338 1.281 -3.603 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.684 0.403 -2.410 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.548 1.457 -4.508 1.00 0.00 C ATOM 0 H LEU A 28 -1.124 2.676 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.141 3.223 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.356 2.513 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.669 3.308 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.551 0.788 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.053 -0.560 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.793 0.250 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.454 0.890 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.906 0.479 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.339 1.970 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.267 2.048 -5.380 1.00 0.00 H new ATOM 389 N GLN A 29 -2.919 5.653 -4.736 1.00 0.00 N ATOM 390 CA GLN A 29 -2.868 7.098 -4.549 1.00 0.00 C ATOM 391 C GLN A 29 -4.234 7.728 -4.800 1.00 0.00 C ATOM 392 O GLN A 29 -4.972 7.299 -5.688 1.00 0.00 O ATOM 393 CB GLN A 29 -1.828 7.718 -5.484 1.00 0.00 C ATOM 394 CG GLN A 29 -0.403 7.280 -5.185 1.00 0.00 C ATOM 395 CD GLN A 29 0.600 7.841 -6.174 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.244 8.611 -7.067 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.862 7.459 -6.019 1.00 0.00 N ATOM 0 H GLN A 29 -3.113 5.358 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.581 7.295 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.072 7.453 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.888 8.804 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.133 7.599 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.351 6.191 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.112 6.819 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.581 7.805 -6.654 1.00 0.00 H new ATOM 406 N CYS A 30 -4.564 8.746 -4.013 1.00 0.00 N ATOM 407 CA CYS A 30 -5.843 9.434 -4.149 1.00 0.00 C ATOM 408 C CYS A 30 -5.691 10.925 -3.865 1.00 0.00 C ATOM 409 O CYS A 30 -4.592 11.404 -3.589 1.00 0.00 O ATOM 410 CB CYS A 30 -6.877 8.824 -3.202 1.00 0.00 C ATOM 411 SG CYS A 30 -6.890 9.559 -1.551 1.00 0.00 S ATOM 0 H CYS A 30 -3.964 9.113 -3.274 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.186 9.312 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.867 8.933 -3.644 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.684 7.755 -3.111 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.108 9.587 -1.098 1.00 0.00 H new ATOM 417 N GLU A 31 -6.801 11.652 -3.935 1.00 0.00 N ATOM 418 CA GLU A 31 -6.790 13.089 -3.687 1.00 0.00 C ATOM 419 C GLU A 31 -8.024 13.514 -2.897 1.00 0.00 C ATOM 420 O GLU A 31 -9.059 12.846 -2.933 1.00 0.00 O ATOM 421 CB GLU A 31 -6.727 13.856 -5.009 1.00 0.00 C ATOM 422 CG GLU A 31 -6.096 15.233 -4.884 1.00 0.00 C ATOM 423 CD GLU A 31 -5.695 15.815 -6.225 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.965 15.132 -6.974 1.00 0.00 O ATOM 425 OE2 GLU A 31 -6.112 16.953 -6.526 1.00 0.00 O ATOM 0 H GLU A 31 -7.719 11.270 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.904 13.324 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.160 13.270 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.737 13.963 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.799 15.908 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.217 15.169 -4.243 1.00 0.00 H new ATOM 432 N LEU A 32 -7.908 14.629 -2.184 1.00 0.00 N ATOM 433 CA LEU A 32 -9.013 15.145 -1.384 1.00 0.00 C ATOM 434 C LEU A 32 -9.231 16.631 -1.650 1.00 0.00 C ATOM 435 O LEU A 32 -8.287 17.364 -1.939 1.00 0.00 O ATOM 436 CB LEU A 32 -8.742 14.916 0.104 1.00 0.00 C ATOM 437 CG LEU A 32 -8.571 13.460 0.539 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.630 13.365 1.730 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.921 12.841 0.873 1.00 0.00 C ATOM 0 H LEU A 32 -7.059 15.193 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.917 14.607 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.840 15.464 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.564 15.350 0.673 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.133 12.903 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.521 12.321 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.655 13.769 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.039 13.937 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.780 11.805 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.387 13.400 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.564 12.874 -0.006 1.00 0.00 H new ATOM 451 N ASN A 33 -10.483 17.067 -1.549 1.00 0.00 N ATOM 452 CA ASN A 33 -10.824 18.467 -1.777 1.00 0.00 C ATOM 453 C ASN A 33 -10.212 19.359 -0.701 1.00 0.00 C ATOM 454 O ASN A 33 -10.148 20.578 -0.855 1.00 0.00 O ATOM 455 CB ASN A 33 -12.344 18.645 -1.800 1.00 0.00 C ATOM 456 CG ASN A 33 -12.913 18.933 -0.424 1.00 0.00 C ATOM 457 OD1 ASN A 33 -13.445 20.014 -0.174 1.00 0.00 O ATOM 458 ND2 ASN A 33 -12.802 17.963 0.477 1.00 0.00 N ATOM 0 H ASN A 33 -11.277 16.472 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.415 18.762 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.601 19.461 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.807 17.743 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.166 18.099 1.420 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.353 17.082 0.226 1.00 0.00 H new ATOM 465 N SER A 34 -9.764 18.741 0.387 1.00 0.00 N ATOM 466 CA SER A 34 -9.160 19.479 1.490 1.00 0.00 C ATOM 467 C SER A 34 -8.338 18.551 2.379 1.00 0.00 C ATOM 468 O SER A 34 -8.682 17.384 2.563 1.00 0.00 O ATOM 469 CB SER A 34 -10.242 20.172 2.321 1.00 0.00 C ATOM 470 OG SER A 34 -9.687 21.197 3.128 1.00 0.00 O ATOM 0 H SER A 34 -9.808 17.732 0.528 1.00 0.00 H new ATOM 0 HA SER A 34 -8.496 20.234 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.998 20.595 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.745 19.440 2.953 1.00 0.00 H new ATOM 0 HG SER A 34 -10.399 21.626 3.648 1.00 0.00 H new ATOM 476 N ALA A 35 -7.249 19.079 2.928 1.00 0.00 N ATOM 477 CA ALA A 35 -6.378 18.299 3.798 1.00 0.00 C ATOM 478 C ALA A 35 -7.188 17.499 4.812 1.00 0.00 C ATOM 479 O ALA A 35 -7.909 18.066 5.632 1.00 0.00 O ATOM 480 CB ALA A 35 -5.391 19.212 4.512 1.00 0.00 C ATOM 0 H ALA A 35 -6.949 20.043 2.786 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.823 17.595 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.747 18.616 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.782 19.736 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.937 19.938 5.114 1.00 0.00 H new ATOM 486 N ALA A 36 -7.067 16.177 4.748 1.00 0.00 N ATOM 487 CA ALA A 36 -7.787 15.298 5.661 1.00 0.00 C ATOM 488 C ALA A 36 -7.136 13.921 5.726 1.00 0.00 C ATOM 489 O ALA A 36 -6.535 13.446 4.762 1.00 0.00 O ATOM 490 CB ALA A 36 -9.243 15.176 5.237 1.00 0.00 C ATOM 0 H ALA A 36 -6.477 15.691 4.073 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.745 15.738 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.769 14.517 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.709 16.161 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.295 14.763 4.230 1.00 0.00 H new ATOM 496 N PRO A 37 -7.256 13.263 6.889 1.00 0.00 N ATOM 497 CA PRO A 37 -6.686 11.930 7.107 1.00 0.00 C ATOM 498 C PRO A 37 -7.410 10.852 6.309 1.00 0.00 C ATOM 499 O PRO A 37 -8.396 11.127 5.626 1.00 0.00 O ATOM 500 CB PRO A 37 -6.877 11.704 8.609 1.00 0.00 C ATOM 501 CG PRO A 37 -8.037 12.564 8.976 1.00 0.00 C ATOM 502 CD PRO A 37 -7.960 13.769 8.079 1.00 0.00 C ATOM 0 HA PRO A 37 -5.647 11.873 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.076 10.655 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.984 11.983 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.978 12.032 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.990 12.855 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.951 14.148 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.416 14.587 8.551 1.00 0.00 H new ATOM 510 N VAL A 38 -6.914 9.622 6.400 1.00 0.00 N ATOM 511 CA VAL A 38 -7.515 8.500 5.687 1.00 0.00 C ATOM 512 C VAL A 38 -7.279 7.189 6.427 1.00 0.00 C ATOM 513 O VAL A 38 -6.387 7.092 7.269 1.00 0.00 O ATOM 514 CB VAL A 38 -6.956 8.379 4.258 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.459 9.521 3.388 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.435 8.347 4.282 1.00 0.00 C ATOM 0 H VAL A 38 -6.098 9.377 6.960 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.586 8.696 5.634 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.310 7.443 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.053 9.418 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.548 9.493 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.137 10.472 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.057 8.261 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.059 9.265 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.098 7.491 4.867 1.00 0.00 H new ATOM 526 N GLU A 39 -8.084 6.181 6.106 1.00 0.00 N ATOM 527 CA GLU A 39 -7.961 4.874 6.741 1.00 0.00 C ATOM 528 C GLU A 39 -7.966 3.760 5.698 1.00 0.00 C ATOM 529 O GLU A 39 -8.989 3.116 5.467 1.00 0.00 O ATOM 530 CB GLU A 39 -9.101 4.658 7.739 1.00 0.00 C ATOM 531 CG GLU A 39 -9.078 3.292 8.404 1.00 0.00 C ATOM 532 CD GLU A 39 -10.130 3.152 9.487 1.00 0.00 C ATOM 533 OE1 GLU A 39 -11.269 2.757 9.161 1.00 0.00 O ATOM 534 OE2 GLU A 39 -9.814 3.438 10.660 1.00 0.00 O ATOM 0 H GLU A 39 -8.828 6.244 5.411 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.011 4.845 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.049 5.428 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.053 4.786 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.235 2.522 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.092 3.119 8.836 1.00 0.00 H new ATOM 541 N TRP A 40 -6.815 3.538 5.073 1.00 0.00 N ATOM 542 CA TRP A 40 -6.686 2.503 4.054 1.00 0.00 C ATOM 543 C TRP A 40 -7.246 1.175 4.554 1.00 0.00 C ATOM 544 O TRP A 40 -6.684 0.554 5.456 1.00 0.00 O ATOM 545 CB TRP A 40 -5.220 2.333 3.652 1.00 0.00 C ATOM 546 CG TRP A 40 -4.654 3.531 2.951 1.00 0.00 C ATOM 547 CD1 TRP A 40 -3.841 4.487 3.489 1.00 0.00 C ATOM 548 CD2 TRP A 40 -4.861 3.900 1.583 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.530 5.429 2.538 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.143 5.091 1.360 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.582 3.340 0.525 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.127 5.729 0.123 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.565 3.974 -0.702 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.841 5.159 -0.896 1.00 0.00 C ATOM 0 H TRP A 40 -5.958 4.061 5.254 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.261 2.814 3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.627 2.129 4.544 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.127 1.463 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.493 4.501 4.511 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.939 6.247 2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.143 2.428 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.570 6.642 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.119 3.550 -1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.847 5.631 -1.868 1.00 0.00 H new ATOM 565 N ARG A 41 -8.356 0.745 3.962 1.00 0.00 N ATOM 566 CA ARG A 41 -8.991 -0.508 4.348 1.00 0.00 C ATOM 567 C ARG A 41 -8.624 -1.626 3.377 1.00 0.00 C ATOM 568 O ARG A 41 -7.804 -1.438 2.477 1.00 0.00 O ATOM 569 CB ARG A 41 -10.511 -0.340 4.398 1.00 0.00 C ATOM 570 CG ARG A 41 -10.974 0.722 5.381 1.00 0.00 C ATOM 571 CD ARG A 41 -12.481 0.674 5.583 1.00 0.00 C ATOM 572 NE ARG A 41 -13.207 1.077 4.382 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.492 0.809 4.176 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.188 0.142 5.085 1.00 0.00 N ATOM 575 NH2 ARG A 41 -15.083 1.210 3.057 1.00 0.00 N ATOM 0 H ARG A 41 -8.834 1.247 3.213 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.629 -0.779 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.873 -0.084 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.965 -1.294 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.473 0.577 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.686 1.708 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.777 -0.337 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.757 1.328 6.410 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.700 1.592 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.738 -0.167 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.174 -0.062 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.551 1.724 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.069 1.004 2.899 1.00 0.00 H new ATOM 589 N LYS A 42 -9.235 -2.791 3.565 1.00 0.00 N ATOM 590 CA LYS A 42 -8.974 -3.940 2.706 1.00 0.00 C ATOM 591 C LYS A 42 -9.957 -5.070 2.994 1.00 0.00 C ATOM 592 O LYS A 42 -10.138 -5.470 4.143 1.00 0.00 O ATOM 593 CB LYS A 42 -7.539 -4.435 2.904 1.00 0.00 C ATOM 594 CG LYS A 42 -7.166 -5.595 1.997 1.00 0.00 C ATOM 595 CD LYS A 42 -7.480 -6.933 2.644 1.00 0.00 C ATOM 596 CE LYS A 42 -7.378 -8.074 1.644 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.227 -9.393 2.320 1.00 0.00 N ATOM 0 H LYS A 42 -9.915 -2.964 4.305 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.104 -3.625 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.851 -3.609 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.409 -4.740 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.707 -5.510 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.103 -5.545 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.791 -7.109 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.484 -6.907 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.269 -8.088 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.527 -7.904 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.161 -10.144 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.363 -9.389 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.052 -9.567 2.929 1.00 0.00 H new ATOM 611 N GLY A 43 -10.590 -5.581 1.942 1.00 0.00 N ATOM 612 CA GLY A 43 -11.546 -6.660 2.104 1.00 0.00 C ATOM 613 C GLY A 43 -12.366 -6.524 3.372 1.00 0.00 C ATOM 614 O GLY A 43 -12.620 -7.509 4.064 1.00 0.00 O ATOM 0 H GLY A 43 -10.457 -5.267 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.215 -6.681 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.015 -7.612 2.119 1.00 0.00 H new ATOM 618 N SER A 44 -12.779 -5.298 3.678 1.00 0.00 N ATOM 619 CA SER A 44 -13.570 -5.035 4.875 1.00 0.00 C ATOM 620 C SER A 44 -12.697 -5.085 6.125 1.00 0.00 C ATOM 621 O SER A 44 -13.070 -5.688 7.131 1.00 0.00 O ATOM 622 CB SER A 44 -14.708 -6.051 4.993 1.00 0.00 C ATOM 623 OG SER A 44 -15.291 -6.313 3.728 1.00 0.00 O ATOM 0 H SER A 44 -12.579 -4.472 3.114 1.00 0.00 H new ATOM 0 HA SER A 44 -13.993 -4.034 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.328 -6.979 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.468 -5.672 5.676 1.00 0.00 H new ATOM 0 HG SER A 44 -16.014 -6.966 3.830 1.00 0.00 H new ATOM 629 N GLU A 45 -11.533 -4.446 6.052 1.00 0.00 N ATOM 630 CA GLU A 45 -10.606 -4.418 7.178 1.00 0.00 C ATOM 631 C GLU A 45 -9.751 -3.155 7.147 1.00 0.00 C ATOM 632 O GLU A 45 -9.190 -2.796 6.111 1.00 0.00 O ATOM 633 CB GLU A 45 -9.708 -5.657 7.158 1.00 0.00 C ATOM 634 CG GLU A 45 -8.396 -5.445 6.422 1.00 0.00 C ATOM 635 CD GLU A 45 -7.761 -6.748 5.976 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.431 -7.520 5.259 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.592 -6.994 6.342 1.00 0.00 O ATOM 0 H GLU A 45 -11.210 -3.942 5.226 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.191 -4.417 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.495 -5.958 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.249 -6.480 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.570 -4.813 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.702 -4.910 7.070 1.00 0.00 H new ATOM 644 N THR A 46 -9.655 -2.484 8.290 1.00 0.00 N ATOM 645 CA THR A 46 -8.870 -1.261 8.395 1.00 0.00 C ATOM 646 C THR A 46 -7.379 -1.570 8.482 1.00 0.00 C ATOM 647 O THR A 46 -6.955 -2.418 9.268 1.00 0.00 O ATOM 648 CB THR A 46 -9.283 -0.432 9.626 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.604 0.090 9.443 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.308 0.713 9.859 1.00 0.00 C ATOM 0 H THR A 46 -10.112 -2.767 9.157 1.00 0.00 H new ATOM 0 HA THR A 46 -9.066 -0.681 7.493 1.00 0.00 H new ATOM 0 HB THR A 46 -9.268 -1.085 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.842 0.654 10.208 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.620 1.284 10.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.308 0.312 10.026 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.296 1.364 8.985 1.00 0.00 H new ATOM 658 N LEU A 47 -6.588 -0.876 7.671 1.00 0.00 N ATOM 659 CA LEU A 47 -5.143 -1.076 7.657 1.00 0.00 C ATOM 660 C LEU A 47 -4.427 0.076 8.356 1.00 0.00 C ATOM 661 O LEU A 47 -5.033 1.105 8.657 1.00 0.00 O ATOM 662 CB LEU A 47 -4.640 -1.206 6.218 1.00 0.00 C ATOM 663 CG LEU A 47 -5.454 -2.121 5.303 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.049 -1.921 3.851 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.281 -3.576 5.712 1.00 0.00 C ATOM 0 H LEU A 47 -6.923 -0.170 7.015 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.923 -1.997 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.612 -0.211 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.614 -1.572 6.245 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.507 -1.860 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.639 -2.581 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.227 -0.885 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.991 -2.154 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.868 -4.212 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.229 -3.851 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.623 -3.708 6.739 1.00 0.00 H new ATOM 677 N ARG A 48 -3.135 -0.104 8.609 1.00 0.00 N ATOM 678 CA ARG A 48 -2.337 0.920 9.271 1.00 0.00 C ATOM 679 C ARG A 48 -0.897 0.899 8.765 1.00 0.00 C ATOM 680 O ARG A 48 -0.380 -0.149 8.379 1.00 0.00 O ATOM 681 CB ARG A 48 -2.359 0.714 10.787 1.00 0.00 C ATOM 682 CG ARG A 48 -3.758 0.692 11.378 1.00 0.00 C ATOM 683 CD ARG A 48 -4.349 2.091 11.464 1.00 0.00 C ATOM 684 NE ARG A 48 -3.789 2.853 12.578 1.00 0.00 N ATOM 685 CZ ARG A 48 -4.391 3.903 13.125 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.565 4.313 12.665 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.819 4.545 14.136 1.00 0.00 N ATOM 0 H ARG A 48 -2.619 -0.949 8.365 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.772 1.891 9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.858 -0.225 11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.786 1.510 11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.403 0.061 10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.727 0.247 12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.162 2.622 10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.431 2.021 11.579 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.887 2.563 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.008 3.822 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.025 5.120 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.916 4.232 14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.282 5.351 14.555 1.00 0.00 H new ATOM 701 N ASP A 49 -0.257 2.063 8.769 1.00 0.00 N ATOM 702 CA ASP A 49 1.122 2.179 8.311 1.00 0.00 C ATOM 703 C ASP A 49 2.070 1.434 9.246 1.00 0.00 C ATOM 704 O ASP A 49 1.941 1.512 10.467 1.00 0.00 O ATOM 705 CB ASP A 49 1.530 3.650 8.217 1.00 0.00 C ATOM 706 CG ASP A 49 2.045 4.193 9.536 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.243 4.302 10.487 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.251 4.508 9.616 1.00 0.00 O ATOM 0 H ASP A 49 -0.672 2.940 9.085 1.00 0.00 H new ATOM 0 HA ASP A 49 1.188 1.728 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.301 3.762 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.674 4.242 7.893 1.00 0.00 H new ATOM 713 N GLY A 50 3.022 0.711 8.664 1.00 0.00 N ATOM 714 CA GLY A 50 3.976 -0.038 9.460 1.00 0.00 C ATOM 715 C GLY A 50 5.096 -0.623 8.623 1.00 0.00 C ATOM 716 O GLY A 50 5.852 0.110 7.986 1.00 0.00 O ATOM 0 H GLY A 50 3.149 0.631 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.400 0.615 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.457 -0.843 9.981 1.00 0.00 H new ATOM 720 N ASP A 51 5.205 -1.947 8.627 1.00 0.00 N ATOM 721 CA ASP A 51 6.242 -2.631 7.862 1.00 0.00 C ATOM 722 C ASP A 51 5.718 -3.056 6.494 1.00 0.00 C ATOM 723 O ASP A 51 6.208 -2.599 5.462 1.00 0.00 O ATOM 724 CB ASP A 51 6.749 -3.853 8.630 1.00 0.00 C ATOM 725 CG ASP A 51 7.911 -3.521 9.545 1.00 0.00 C ATOM 726 OD1 ASP A 51 7.866 -2.459 10.199 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.867 -4.323 9.605 1.00 0.00 O ATOM 0 H ASP A 51 4.589 -2.568 9.151 1.00 0.00 H new ATOM 0 HA ASP A 51 7.068 -1.936 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.934 -4.271 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.057 -4.622 7.921 1.00 0.00 H new ATOM 732 N ARG A 52 4.719 -3.933 6.495 1.00 0.00 N ATOM 733 CA ARG A 52 4.130 -4.421 5.254 1.00 0.00 C ATOM 734 C ARG A 52 3.333 -3.320 4.561 1.00 0.00 C ATOM 735 O ARG A 52 3.145 -3.348 3.344 1.00 0.00 O ATOM 736 CB ARG A 52 3.226 -5.623 5.532 1.00 0.00 C ATOM 737 CG ARG A 52 3.954 -6.957 5.486 1.00 0.00 C ATOM 738 CD ARG A 52 3.016 -8.091 5.102 1.00 0.00 C ATOM 739 NE ARG A 52 3.424 -9.362 5.694 1.00 0.00 N ATOM 740 CZ ARG A 52 3.233 -9.672 6.972 1.00 0.00 C ATOM 741 NH1 ARG A 52 2.644 -8.808 7.786 1.00 0.00 N ATOM 742 NH2 ARG A 52 3.631 -10.850 7.436 1.00 0.00 N ATOM 0 H ARG A 52 4.301 -4.320 7.341 1.00 0.00 H new ATOM 0 HA ARG A 52 4.940 -4.730 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.768 -5.503 6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.417 -5.635 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.772 -6.901 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.398 -7.164 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.003 -7.849 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.990 -8.188 4.017 1.00 0.00 H new ATOM 0 HE ARG A 52 3.880 -10.049 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.336 -7.902 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.499 -9.049 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.084 -11.518 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.484 -11.088 8.417 1.00 0.00 H new ATOM 756 N TYR A 53 2.867 -2.353 5.343 1.00 0.00 N ATOM 757 CA TYR A 53 2.087 -1.245 4.805 1.00 0.00 C ATOM 758 C TYR A 53 2.836 0.075 4.961 1.00 0.00 C ATOM 759 O TYR A 53 3.493 0.312 5.975 1.00 0.00 O ATOM 760 CB TYR A 53 0.731 -1.160 5.507 1.00 0.00 C ATOM 761 CG TYR A 53 -0.114 -2.403 5.344 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.872 -2.606 4.197 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.156 -3.374 6.337 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.646 -3.740 4.044 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.926 -4.512 6.192 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.669 -4.690 5.044 1.00 0.00 C ATOM 767 OH TYR A 53 -2.439 -5.822 4.896 1.00 0.00 O ATOM 0 H TYR A 53 3.016 -2.314 6.351 1.00 0.00 H new ATOM 0 HA TYR A 53 1.928 -1.429 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.892 -0.977 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.182 -0.304 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.856 -1.865 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.423 -3.237 7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.230 -3.882 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.946 -5.258 6.973 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.343 -6.389 5.689 1.00 0.00 H new ATOM 777 N SER A 54 2.732 0.930 3.949 1.00 0.00 N ATOM 778 CA SER A 54 3.402 2.225 3.971 1.00 0.00 C ATOM 779 C SER A 54 2.452 3.336 3.533 1.00 0.00 C ATOM 780 O SER A 54 2.220 3.535 2.339 1.00 0.00 O ATOM 781 CB SER A 54 4.632 2.202 3.062 1.00 0.00 C ATOM 782 OG SER A 54 5.185 0.900 2.986 1.00 0.00 O ATOM 0 H SER A 54 2.190 0.750 3.104 1.00 0.00 H new ATOM 0 HA SER A 54 3.719 2.425 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.357 2.543 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.381 2.897 3.441 1.00 0.00 H new ATOM 0 HG SER A 54 5.969 0.911 2.398 1.00 0.00 H new ATOM 788 N LEU A 55 1.906 4.057 4.505 1.00 0.00 N ATOM 789 CA LEU A 55 0.980 5.148 4.222 1.00 0.00 C ATOM 790 C LEU A 55 1.698 6.494 4.256 1.00 0.00 C ATOM 791 O LEU A 55 2.287 6.868 5.270 1.00 0.00 O ATOM 792 CB LEU A 55 -0.169 5.144 5.231 1.00 0.00 C ATOM 793 CG LEU A 55 -0.680 3.769 5.661 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.755 3.908 6.727 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.212 2.999 4.461 1.00 0.00 C ATOM 0 H LEU A 55 2.088 3.906 5.497 1.00 0.00 H new ATOM 0 HA LEU A 55 0.576 4.998 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.154 5.684 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.002 5.702 4.804 1.00 0.00 H new ATOM 0 HG LEU A 55 0.153 3.210 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.106 2.919 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.341 4.419 7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.589 4.486 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.572 2.023 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.032 3.555 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.414 2.867 3.730 1.00 0.00 H new ATOM 807 N ARG A 56 1.643 7.217 3.143 1.00 0.00 N ATOM 808 CA ARG A 56 2.287 8.522 3.047 1.00 0.00 C ATOM 809 C ARG A 56 1.319 9.567 2.500 1.00 0.00 C ATOM 810 O ARG A 56 0.820 9.440 1.382 1.00 0.00 O ATOM 811 CB ARG A 56 3.523 8.439 2.150 1.00 0.00 C ATOM 812 CG ARG A 56 4.716 7.774 2.817 1.00 0.00 C ATOM 813 CD ARG A 56 5.859 7.566 1.836 1.00 0.00 C ATOM 814 NE ARG A 56 7.155 7.518 2.507 1.00 0.00 N ATOM 815 CZ ARG A 56 8.276 7.120 1.915 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.259 6.739 0.645 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.416 7.105 2.592 1.00 0.00 N ATOM 0 H ARG A 56 1.159 6.922 2.295 1.00 0.00 H new ATOM 0 HA ARG A 56 2.592 8.823 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.269 7.887 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.805 9.445 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.057 8.388 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.413 6.813 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.701 6.638 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.860 8.374 1.104 1.00 0.00 H new ATOM 0 HE ARG A 56 7.202 7.806 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.384 6.751 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.121 6.434 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.433 7.399 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.276 6.799 2.136 1.00 0.00 H new ATOM 831 N GLN A 57 1.057 10.598 3.298 1.00 0.00 N ATOM 832 CA GLN A 57 0.148 11.664 2.894 1.00 0.00 C ATOM 833 C GLN A 57 0.906 12.966 2.657 1.00 0.00 C ATOM 834 O GLN A 57 1.876 13.266 3.353 1.00 0.00 O ATOM 835 CB GLN A 57 -0.930 11.874 3.959 1.00 0.00 C ATOM 836 CG GLN A 57 -1.975 12.908 3.572 1.00 0.00 C ATOM 837 CD GLN A 57 -2.851 13.318 4.739 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.393 13.980 5.671 1.00 0.00 O ATOM 839 NE2 GLN A 57 -4.119 12.926 4.694 1.00 0.00 N ATOM 0 H GLN A 57 1.461 10.717 4.227 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.327 11.367 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.426 10.923 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.454 12.182 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.476 13.790 3.170 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.602 12.505 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.456 12.379 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.756 13.172 5.451 1.00 0.00 H new ATOM 848 N ASP A 58 0.459 13.733 1.670 1.00 0.00 N ATOM 849 CA ASP A 58 1.094 15.004 1.341 1.00 0.00 C ATOM 850 C ASP A 58 0.052 16.103 1.162 1.00 0.00 C ATOM 851 O ASP A 58 -0.236 16.525 0.043 1.00 0.00 O ATOM 852 CB ASP A 58 1.931 14.866 0.067 1.00 0.00 C ATOM 853 CG ASP A 58 2.989 15.945 -0.051 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.617 17.120 -0.252 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.188 15.615 0.058 1.00 0.00 O ATOM 0 H ASP A 58 -0.341 13.497 1.083 1.00 0.00 H new ATOM 0 HA ASP A 58 1.748 15.279 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.411 13.888 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.274 14.909 -0.802 1.00 0.00 H new ATOM 860 N GLY A 59 -0.512 16.563 2.275 1.00 0.00 N ATOM 861 CA GLY A 59 -1.517 17.609 2.220 1.00 0.00 C ATOM 862 C GLY A 59 -2.898 17.069 1.907 1.00 0.00 C ATOM 863 O GLY A 59 -3.683 16.784 2.812 1.00 0.00 O ATOM 0 H GLY A 59 -0.291 16.230 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.543 18.134 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.235 18.340 1.462 1.00 0.00 H new ATOM 867 N THR A 60 -3.199 16.929 0.619 1.00 0.00 N ATOM 868 CA THR A 60 -4.496 16.423 0.188 1.00 0.00 C ATOM 869 C THR A 60 -4.357 15.069 -0.499 1.00 0.00 C ATOM 870 O THR A 60 -5.305 14.285 -0.547 1.00 0.00 O ATOM 871 CB THR A 60 -5.190 17.405 -0.775 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.272 17.828 -1.789 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.717 18.618 -0.023 1.00 0.00 C ATOM 0 H THR A 60 -2.562 17.159 -0.143 1.00 0.00 H new ATOM 0 HA THR A 60 -5.106 16.312 1.085 1.00 0.00 H new ATOM 0 HB THR A 60 -6.032 16.891 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.721 18.451 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.203 19.297 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.437 18.295 0.729 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.889 19.132 0.465 1.00 0.00 H new ATOM 881 N LYS A 61 -3.169 14.799 -1.029 1.00 0.00 N ATOM 882 CA LYS A 61 -2.904 13.538 -1.712 1.00 0.00 C ATOM 883 C LYS A 61 -2.482 12.460 -0.719 1.00 0.00 C ATOM 884 O LYS A 61 -1.783 12.740 0.256 1.00 0.00 O ATOM 885 CB LYS A 61 -1.815 13.727 -2.771 1.00 0.00 C ATOM 886 CG LYS A 61 -2.174 14.746 -3.838 1.00 0.00 C ATOM 887 CD LYS A 61 -0.933 15.370 -4.454 1.00 0.00 C ATOM 888 CE LYS A 61 -0.488 16.603 -3.683 1.00 0.00 C ATOM 889 NZ LYS A 61 0.496 17.413 -4.453 1.00 0.00 N ATOM 0 H LYS A 61 -2.374 15.437 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.824 13.217 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.893 14.037 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.615 12.768 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.765 14.265 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.797 15.527 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.126 14.638 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.137 15.641 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.357 17.217 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.045 16.298 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.775 18.244 -3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.337 16.836 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.065 17.725 -5.346 1.00 0.00 H new ATOM 903 N CYS A 62 -2.908 11.228 -0.974 1.00 0.00 N ATOM 904 CA CYS A 62 -2.572 10.107 -0.103 1.00 0.00 C ATOM 905 C CYS A 62 -1.827 9.023 -0.874 1.00 0.00 C ATOM 906 O CYS A 62 -1.755 9.060 -2.102 1.00 0.00 O ATOM 907 CB CYS A 62 -3.840 9.525 0.524 1.00 0.00 C ATOM 908 SG CYS A 62 -4.833 10.730 1.437 1.00 0.00 S ATOM 0 H CYS A 62 -3.487 10.980 -1.777 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.920 10.476 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.453 9.087 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.560 8.715 1.198 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.979 10.886 0.844 1.00 0.00 H new ATOM 914 N GLU A 63 -1.273 8.060 -0.144 1.00 0.00 N ATOM 915 CA GLU A 63 -0.531 6.966 -0.760 1.00 0.00 C ATOM 916 C GLU A 63 -0.395 5.790 0.202 1.00 0.00 C ATOM 917 O GLU A 63 -0.038 5.965 1.368 1.00 0.00 O ATOM 918 CB GLU A 63 0.855 7.444 -1.198 1.00 0.00 C ATOM 919 CG GLU A 63 1.752 6.327 -1.705 1.00 0.00 C ATOM 920 CD GLU A 63 3.189 6.772 -1.892 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.450 7.556 -2.829 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.053 6.337 -1.102 1.00 0.00 O ATOM 0 H GLU A 63 -1.324 8.015 0.874 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.087 6.633 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.741 8.192 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.343 7.937 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.722 5.495 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.364 5.957 -2.654 1.00 0.00 H new ATOM 929 N LEU A 64 -0.684 4.591 -0.293 1.00 0.00 N ATOM 930 CA LEU A 64 -0.595 3.385 0.522 1.00 0.00 C ATOM 931 C LEU A 64 0.068 2.251 -0.254 1.00 0.00 C ATOM 932 O LEU A 64 -0.458 1.790 -1.267 1.00 0.00 O ATOM 933 CB LEU A 64 -1.988 2.955 0.986 1.00 0.00 C ATOM 934 CG LEU A 64 -2.110 1.523 1.506 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.427 0.567 0.367 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.832 1.103 2.217 1.00 0.00 C ATOM 0 H LEU A 64 -0.982 4.429 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 64 0.018 3.610 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.313 3.635 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.680 3.078 0.153 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.930 1.486 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.510 -0.448 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.369 0.855 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.629 0.607 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.937 0.081 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.006 1.157 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.648 1.770 3.059 1.00 0.00 H new ATOM 948 N GLN A 65 1.222 1.805 0.231 1.00 0.00 N ATOM 949 CA GLN A 65 1.955 0.724 -0.417 1.00 0.00 C ATOM 950 C GLN A 65 1.777 -0.586 0.343 1.00 0.00 C ATOM 951 O GLN A 65 1.674 -0.594 1.570 1.00 0.00 O ATOM 952 CB GLN A 65 3.441 1.073 -0.514 1.00 0.00 C ATOM 953 CG GLN A 65 3.812 1.807 -1.793 1.00 0.00 C ATOM 954 CD GLN A 65 5.305 2.028 -1.927 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.014 1.217 -2.525 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.793 3.131 -1.371 1.00 0.00 N ATOM 0 H GLN A 65 1.669 2.175 1.070 1.00 0.00 H new ATOM 0 HA GLN A 65 1.553 0.598 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.718 1.689 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.026 0.156 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.455 1.237 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.303 2.770 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.170 3.776 -0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.791 3.333 -1.430 1.00 0.00 H new ATOM 965 N ILE A 66 1.741 -1.692 -0.394 1.00 0.00 N ATOM 966 CA ILE A 66 1.575 -3.007 0.212 1.00 0.00 C ATOM 967 C ILE A 66 2.724 -3.936 -0.169 1.00 0.00 C ATOM 968 O ILE A 66 2.960 -4.196 -1.349 1.00 0.00 O ATOM 969 CB ILE A 66 0.244 -3.657 -0.209 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.924 -2.711 0.078 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.049 -4.981 0.515 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.139 -2.972 -0.784 1.00 0.00 C ATOM 0 H ILE A 66 1.825 -1.703 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 66 1.572 -2.859 1.292 1.00 0.00 H new ATOM 0 HB ILE A 66 0.275 -3.852 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.206 -2.803 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.594 -1.683 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.896 -5.428 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.868 -5.656 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.035 -4.809 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.927 -2.265 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.873 -2.851 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.494 -3.988 -0.614 1.00 0.00 H new ATOM 984 N ARG A 67 3.434 -4.434 0.838 1.00 0.00 N ATOM 985 CA ARG A 67 4.557 -5.334 0.609 1.00 0.00 C ATOM 986 C ARG A 67 4.151 -6.784 0.858 1.00 0.00 C ATOM 987 O ARG A 67 3.749 -7.146 1.962 1.00 0.00 O ATOM 988 CB ARG A 67 5.731 -4.959 1.516 1.00 0.00 C ATOM 989 CG ARG A 67 6.332 -3.599 1.203 1.00 0.00 C ATOM 990 CD ARG A 67 7.233 -3.116 2.329 1.00 0.00 C ATOM 991 NE ARG A 67 8.492 -3.856 2.378 1.00 0.00 N ATOM 992 CZ ARG A 67 9.352 -3.775 3.387 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.092 -2.991 4.424 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.476 -4.480 3.359 1.00 0.00 N ATOM 0 H ARG A 67 3.251 -4.229 1.820 1.00 0.00 H new ATOM 0 HA ARG A 67 4.864 -5.234 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.395 -4.969 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.507 -5.719 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.904 -3.657 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.533 -2.876 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.441 -2.054 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.713 -3.222 3.281 1.00 0.00 H new ATOM 0 HE ARG A 67 8.723 -4.468 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.229 -2.448 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.755 -2.931 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.679 -5.084 2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.136 -4.418 4.134 1.00 0.00 H new ATOM 1008 N GLY A 68 4.260 -7.609 -0.179 1.00 0.00 N ATOM 1009 CA GLY A 68 3.900 -9.010 -0.053 1.00 0.00 C ATOM 1010 C GLY A 68 2.645 -9.358 -0.829 1.00 0.00 C ATOM 1011 O GLY A 68 1.781 -10.082 -0.333 1.00 0.00 O ATOM 0 H GLY A 68 4.591 -7.333 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.725 -9.627 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.751 -9.250 1.000 1.00 0.00 H new ATOM 1015 N LEU A 69 2.542 -8.840 -2.048 1.00 0.00 N ATOM 1016 CA LEU A 69 1.382 -9.099 -2.894 1.00 0.00 C ATOM 1017 C LEU A 69 1.248 -10.589 -3.192 1.00 0.00 C ATOM 1018 O LEU A 69 2.069 -11.165 -3.905 1.00 0.00 O ATOM 1019 CB LEU A 69 1.494 -8.313 -4.201 1.00 0.00 C ATOM 1020 CG LEU A 69 1.190 -6.817 -4.113 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.419 -6.145 -5.458 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.237 -6.590 -3.637 1.00 0.00 C ATOM 0 H LEU A 69 3.248 -8.238 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 69 0.491 -8.773 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.505 -8.436 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.816 -8.759 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 69 1.869 -6.370 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.197 -5.081 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.458 -6.277 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.765 -6.595 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.436 -5.520 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.932 -7.052 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.367 -7.036 -2.651 1.00 0.00 H new ATOM 1034 N ALA A 70 0.205 -11.205 -2.645 1.00 0.00 N ATOM 1035 CA ALA A 70 -0.039 -12.626 -2.856 1.00 0.00 C ATOM 1036 C ALA A 70 -1.507 -12.889 -3.174 1.00 0.00 C ATOM 1037 O ALA A 70 -2.375 -12.074 -2.864 1.00 0.00 O ATOM 1038 CB ALA A 70 0.389 -13.423 -1.633 1.00 0.00 C ATOM 0 H ALA A 70 -0.484 -10.742 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 70 0.555 -12.948 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.201 -14.483 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.453 -13.268 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.179 -13.090 -0.765 1.00 0.00 H new ATOM 1044 N MET A 71 -1.778 -14.033 -3.795 1.00 0.00 N ATOM 1045 CA MET A 71 -3.142 -14.403 -4.154 1.00 0.00 C ATOM 1046 C MET A 71 -4.122 -13.997 -3.058 1.00 0.00 C ATOM 1047 O MET A 71 -5.275 -13.668 -3.334 1.00 0.00 O ATOM 1048 CB MET A 71 -3.235 -15.909 -4.406 1.00 0.00 C ATOM 1049 CG MET A 71 -2.568 -16.352 -5.698 1.00 0.00 C ATOM 1050 SD MET A 71 -3.694 -16.327 -7.105 1.00 0.00 S ATOM 1051 CE MET A 71 -3.381 -14.690 -7.761 1.00 0.00 C ATOM 0 H MET A 71 -1.071 -14.719 -4.060 1.00 0.00 H new ATOM 0 HA MET A 71 -3.407 -13.872 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.777 -16.438 -3.570 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.285 -16.201 -4.430 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.719 -15.701 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.173 -17.360 -5.571 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.256 -14.060 -7.601 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.521 -14.253 -7.253 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.175 -14.759 -8.829 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.655 -14.022 -1.814 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.490 -13.655 -0.677 1.00 0.00 C ATOM 1063 C ALA A 72 -4.806 -12.163 -0.687 1.00 0.00 C ATOM 1064 O ALA A 72 -5.955 -11.761 -0.500 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.807 -14.043 0.626 1.00 0.00 C ATOM 0 H ALA A 72 -2.703 -14.293 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.431 -14.200 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.442 -13.763 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.638 -15.120 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.851 -13.525 0.704 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.781 -11.348 -0.906 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.950 -9.899 -0.941 1.00 0.00 C ATOM 1073 C ASP A 73 -5.028 -9.502 -1.944 1.00 0.00 C ATOM 1074 O ASP A 73 -5.771 -8.544 -1.727 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.628 -9.219 -1.299 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.618 -9.284 -0.170 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.653 -8.398 0.710 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.794 -10.222 -0.165 1.00 0.00 O ATOM 0 H ASP A 73 -2.824 -11.665 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.262 -9.570 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.208 -9.693 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.817 -8.176 -1.554 1.00 0.00 H new ATOM 1083 N THR A 74 -5.109 -10.245 -3.044 1.00 0.00 N ATOM 1084 CA THR A 74 -6.095 -9.969 -4.081 1.00 0.00 C ATOM 1085 C THR A 74 -7.478 -9.746 -3.480 1.00 0.00 C ATOM 1086 O THR A 74 -8.148 -10.694 -3.071 1.00 0.00 O ATOM 1087 CB THR A 74 -6.171 -11.118 -5.104 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.862 -11.421 -5.599 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.085 -10.751 -6.263 1.00 0.00 C ATOM 0 H THR A 74 -4.503 -11.042 -3.239 1.00 0.00 H new ATOM 0 HA THR A 74 -5.773 -9.060 -4.590 1.00 0.00 H new ATOM 0 HB THR A 74 -6.581 -11.995 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.919 -12.154 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.123 -11.578 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.088 -10.550 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.700 -9.862 -6.762 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.902 -8.487 -3.430 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.204 -8.163 -2.878 1.00 0.00 C ATOM 1099 C GLY A 75 -9.695 -6.797 -3.314 1.00 0.00 C ATOM 1100 O GLY A 75 -9.674 -6.473 -4.500 1.00 0.00 O ATOM 0 H GLY A 75 -7.366 -7.685 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.925 -8.920 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.152 -8.197 -1.790 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.140 -5.995 -2.351 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.641 -4.657 -2.643 1.00 0.00 C ATOM 1106 C GLU A 76 -10.328 -3.697 -1.500 1.00 0.00 C ATOM 1107 O GLU A 76 -10.867 -3.827 -0.400 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.151 -4.697 -2.891 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.776 -3.322 -3.059 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.263 -3.389 -3.349 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.897 -4.397 -2.972 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.793 -2.433 -3.952 1.00 0.00 O ATOM 0 H GLU A 76 -10.164 -6.248 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.141 -4.298 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.348 -5.288 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.634 -5.207 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.612 -2.739 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.274 -2.796 -3.871 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.452 -2.734 -1.767 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.064 -1.754 -0.760 1.00 0.00 C ATOM 1121 C TYR A 77 -9.886 -0.476 -0.898 1.00 0.00 C ATOM 1122 O TYR A 77 -10.240 -0.069 -2.005 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.574 -1.430 -0.882 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.675 -2.627 -0.669 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.650 -3.673 -1.584 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.851 -2.713 0.446 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.831 -4.769 -1.394 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.028 -3.805 0.643 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.021 -4.830 -0.280 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.204 -5.920 -0.086 1.00 0.00 O ATOM 0 H TYR A 77 -8.998 -2.612 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.257 -2.184 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.381 -1.013 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.318 -0.659 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.282 -3.628 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.854 -1.913 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.825 -5.574 -2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.393 -3.856 1.515 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.698 -5.806 0.745 1.00 0.00 H new ATOM 1140 N SER A 78 -10.186 0.152 0.234 1.00 0.00 N ATOM 1141 CA SER A 78 -10.970 1.382 0.242 1.00 0.00 C ATOM 1142 C SER A 78 -10.348 2.416 1.175 1.00 0.00 C ATOM 1143 O SER A 78 -10.100 2.139 2.349 1.00 0.00 O ATOM 1144 CB SER A 78 -12.409 1.092 0.670 1.00 0.00 C ATOM 1145 OG SER A 78 -12.915 -0.057 0.013 1.00 0.00 O ATOM 0 H SER A 78 -9.898 -0.170 1.158 1.00 0.00 H new ATOM 0 HA SER A 78 -10.975 1.787 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.448 0.944 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.039 1.952 0.443 1.00 0.00 H new ATOM 0 HG SER A 78 -13.836 -0.222 0.305 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.099 3.608 0.645 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.505 4.685 1.429 1.00 0.00 C ATOM 1153 C CYS A 79 -10.582 5.610 1.986 1.00 0.00 C ATOM 1154 O CYS A 79 -11.103 6.472 1.278 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.521 5.485 0.574 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.199 6.280 1.517 1.00 0.00 S ATOM 0 H CYS A 79 -10.299 3.853 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.968 4.238 2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.075 4.820 -0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.071 6.249 0.025 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.076 5.663 1.296 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.914 5.423 3.260 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.931 6.240 3.912 1.00 0.00 C ATOM 1164 C VAL A 80 -11.303 7.433 4.624 1.00 0.00 C ATOM 1165 O VAL A 80 -10.262 7.307 5.270 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.743 5.418 4.931 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.108 6.049 5.159 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.883 3.978 4.461 1.00 0.00 C ATOM 0 H VAL A 80 -10.494 4.714 3.860 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.600 6.598 3.129 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.208 5.416 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.667 5.455 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.981 7.062 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.655 6.084 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.459 3.411 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.396 3.957 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.894 3.532 4.354 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.942 8.591 4.501 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.447 9.809 5.133 1.00 0.00 C ATOM 1180 C CYS A 81 -12.356 10.235 6.281 1.00 0.00 C ATOM 1181 O CYS A 81 -11.897 10.452 7.402 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.342 10.936 4.104 1.00 0.00 C ATOM 1183 SG CYS A 81 -11.507 12.594 4.806 1.00 0.00 S ATOM 0 H CYS A 81 -12.804 8.712 3.969 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.456 9.602 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.380 10.862 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -12.113 10.795 3.347 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.364 13.278 4.108 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.648 10.354 5.993 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.601 10.755 7.012 1.00 0.00 C ATOM 1191 C GLY A 82 -16.003 10.255 6.723 1.00 0.00 C ATOM 1192 O GLY A 82 -16.540 9.434 7.465 1.00 0.00 O ATOM 0 H GLY A 82 -14.052 10.180 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.275 10.374 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.614 11.842 7.085 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.597 10.753 5.643 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.946 10.353 5.261 1.00 0.00 C ATOM 1198 C GLN A 83 -17.928 9.549 3.965 1.00 0.00 C ATOM 1199 O GLN A 83 -18.743 8.647 3.773 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.839 11.584 5.098 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.152 12.746 4.400 1.00 0.00 C ATOM 1202 CD GLN A 83 -18.988 14.011 4.411 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -19.274 14.570 5.471 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.384 14.470 3.230 1.00 0.00 N ATOM 0 H GLN A 83 -16.166 11.434 5.018 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.349 9.723 6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.728 11.305 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.177 11.910 6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.196 12.943 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.934 12.468 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.124 13.975 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.948 15.318 3.176 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.994 9.882 3.080 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.873 9.191 1.802 1.00 0.00 C ATOM 1215 C GLU A 84 -15.538 8.457 1.705 1.00 0.00 C ATOM 1216 O GLU A 84 -14.683 8.584 2.582 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.006 10.183 0.645 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.243 11.061 0.736 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.446 10.447 0.048 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -20.173 9.672 0.705 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -19.662 10.740 -1.147 1.00 0.00 O ATOM 0 H GLU A 84 -16.311 10.625 3.224 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.678 8.458 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.121 10.818 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.031 9.631 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.481 11.240 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.029 12.031 0.288 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.368 7.689 0.634 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.139 6.933 0.423 1.00 0.00 C ATOM 1230 C ARG A 85 -14.062 6.410 -1.009 1.00 0.00 C ATOM 1231 O ARG A 85 -15.022 6.515 -1.773 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.058 5.766 1.409 1.00 0.00 C ATOM 1233 CG ARG A 85 -14.916 4.575 1.015 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.294 4.646 1.654 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.279 3.858 0.919 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.958 4.320 -0.126 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.758 5.558 -0.555 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.838 3.543 -0.743 1.00 0.00 N ATOM 0 H ARG A 85 -16.066 7.574 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.296 7.602 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.020 5.444 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.364 6.113 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.018 4.542 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.421 3.652 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.236 4.287 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.620 5.685 1.697 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.456 2.901 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.082 6.158 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.280 5.910 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.994 2.590 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.358 3.899 -1.545 1.00 0.00 H new ATOM 1252 N THR A 86 -12.912 5.846 -1.366 1.00 0.00 N ATOM 1253 CA THR A 86 -12.708 5.309 -2.705 1.00 0.00 C ATOM 1254 C THR A 86 -12.430 3.810 -2.659 1.00 0.00 C ATOM 1255 O THR A 86 -12.447 3.199 -1.591 1.00 0.00 O ATOM 1256 CB THR A 86 -11.542 6.014 -3.422 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.346 5.441 -4.720 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.259 5.898 -2.612 1.00 0.00 C ATOM 0 H THR A 86 -12.108 5.750 -0.746 1.00 0.00 H new ATOM 0 HA THR A 86 -13.628 5.489 -3.261 1.00 0.00 H new ATOM 0 HB THR A 86 -11.794 7.069 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.163 5.546 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.449 6.403 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.402 6.361 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.005 4.846 -2.481 1.00 0.00 H new ATOM 1266 N SER A 87 -12.174 3.225 -3.825 1.00 0.00 N ATOM 1267 CA SER A 87 -11.895 1.797 -3.918 1.00 0.00 C ATOM 1268 C SER A 87 -11.200 1.464 -5.235 1.00 0.00 C ATOM 1269 O SER A 87 -11.475 2.077 -6.266 1.00 0.00 O ATOM 1270 CB SER A 87 -13.190 0.993 -3.794 1.00 0.00 C ATOM 1271 OG SER A 87 -14.296 1.729 -4.289 1.00 0.00 O ATOM 0 H SER A 87 -12.154 3.718 -4.718 1.00 0.00 H new ATOM 0 HA SER A 87 -11.230 1.528 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.095 0.058 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.361 0.732 -2.750 1.00 0.00 H new ATOM 0 HG SER A 87 -15.112 1.193 -4.200 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.300 0.487 -5.191 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.567 0.070 -6.381 1.00 0.00 C ATOM 1279 C ALA A 88 -9.178 -1.402 -6.297 1.00 0.00 C ATOM 1280 O ALA A 88 -8.259 -1.770 -5.566 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.330 0.936 -6.569 1.00 0.00 C ATOM 0 H ALA A 88 -10.061 -0.030 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.220 0.197 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.792 0.614 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.629 1.978 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.681 0.837 -5.699 1.00 0.00 H new ATOM 1287 N MET A 89 -9.883 -2.240 -7.050 1.00 0.00 N ATOM 1288 CA MET A 89 -9.610 -3.672 -7.061 1.00 0.00 C ATOM 1289 C MET A 89 -8.136 -3.942 -7.345 1.00 0.00 C ATOM 1290 O MET A 89 -7.579 -3.441 -8.323 1.00 0.00 O ATOM 1291 CB MET A 89 -10.479 -4.371 -8.108 1.00 0.00 C ATOM 1292 CG MET A 89 -9.756 -5.477 -8.858 1.00 0.00 C ATOM 1293 SD MET A 89 -9.326 -6.870 -7.797 1.00 0.00 S ATOM 1294 CE MET A 89 -10.947 -7.370 -7.222 1.00 0.00 C ATOM 0 H MET A 89 -10.648 -1.952 -7.660 1.00 0.00 H new ATOM 0 HA MET A 89 -9.851 -4.070 -6.075 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.358 -4.790 -7.618 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.836 -3.631 -8.824 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.386 -5.829 -9.675 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.848 -5.073 -9.307 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.896 -8.385 -6.828 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.280 -6.692 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.653 -7.338 -8.052 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.508 -4.736 -6.484 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.097 -5.073 -6.643 1.00 0.00 C ATOM 1306 C LEU A 90 -5.930 -6.524 -7.081 1.00 0.00 C ATOM 1307 O LEU A 90 -6.173 -7.450 -6.306 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.345 -4.833 -5.333 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.003 -5.552 -5.188 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.097 -5.233 -6.367 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.332 -5.168 -3.878 1.00 0.00 C ATOM 0 H LEU A 90 -7.953 -5.158 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.680 -4.429 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.174 -3.762 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.988 -5.137 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.187 -6.626 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.147 -5.753 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.574 -5.558 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.920 -4.158 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.378 -5.689 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.161 -4.092 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.975 -5.448 -3.044 1.00 0.00 H new ATOM 1323 N THR A 91 -5.510 -6.716 -8.328 1.00 0.00 N ATOM 1324 CA THR A 91 -5.309 -8.054 -8.869 1.00 0.00 C ATOM 1325 C THR A 91 -3.848 -8.476 -8.761 1.00 0.00 C ATOM 1326 O THR A 91 -2.954 -7.788 -9.254 1.00 0.00 O ATOM 1327 CB THR A 91 -5.748 -8.136 -10.343 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.145 -7.843 -10.456 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.467 -9.517 -10.916 1.00 0.00 C ATOM 0 H THR A 91 -5.303 -5.961 -8.982 1.00 0.00 H new ATOM 0 HA THR A 91 -5.925 -8.731 -8.277 1.00 0.00 H new ATOM 0 HB THR A 91 -5.176 -7.401 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.512 -7.651 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.786 -9.550 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.399 -9.725 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.015 -10.266 -10.345 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.612 -9.614 -8.115 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.259 -10.129 -7.944 1.00 0.00 C ATOM 1339 C VAL A 92 -1.984 -11.281 -8.904 1.00 0.00 C ATOM 1340 O VAL A 92 -2.315 -12.432 -8.619 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.019 -10.610 -6.501 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.612 -11.167 -6.350 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.260 -9.476 -5.515 1.00 0.00 C ATOM 0 H VAL A 92 -4.340 -10.196 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.578 -9.307 -8.163 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.726 -11.410 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.461 -11.502 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.479 -12.009 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.114 -10.390 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.086 -9.833 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.578 -8.654 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.289 -9.128 -5.606 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.377 -10.964 -10.043 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.058 -11.973 -11.046 1.00 0.00 C ATOM 1355 C ARG A 93 0.028 -12.918 -10.541 1.00 0.00 C ATOM 1356 O ARG A 93 1.181 -12.522 -10.377 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.605 -11.305 -12.345 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.713 -10.550 -13.062 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.687 -11.502 -13.739 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.162 -12.014 -15.002 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.108 -11.299 -16.120 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -2.545 -10.047 -16.132 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -1.617 -11.836 -17.230 1.00 0.00 N ATOM 0 H ARG A 93 -1.096 -10.016 -10.294 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.959 -12.555 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.209 -10.615 -12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.204 -12.066 -13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.250 -9.925 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.278 -9.883 -13.806 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.902 -12.336 -13.071 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.630 -10.987 -13.921 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.818 -12.974 -15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.924 -9.631 -15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.502 -9.500 -16.992 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.281 -12.799 -17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.576 -11.286 -18.088 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.350 -14.168 -10.296 1.00 0.00 N ATOM 1378 CA ALA A 94 0.592 -15.169 -9.811 1.00 0.00 C ATOM 1379 C ALA A 94 1.747 -15.356 -10.789 1.00 0.00 C ATOM 1380 O ALA A 94 1.537 -15.675 -11.960 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.121 -16.493 -9.574 1.00 0.00 C ATOM 0 H ALA A 94 -1.302 -14.512 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 94 1.005 -14.816 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.594 -17.232 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.907 -16.355 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.561 -16.842 -10.508 1.00 0.00 H new ATOM 1387 N LEU A 95 2.966 -15.154 -10.302 1.00 0.00 N ATOM 1388 CA LEU A 95 4.156 -15.300 -11.133 1.00 0.00 C ATOM 1389 C LEU A 95 4.067 -16.554 -11.996 1.00 0.00 C ATOM 1390 O LEU A 95 3.406 -17.532 -11.647 1.00 0.00 O ATOM 1391 CB LEU A 95 5.410 -15.356 -10.259 1.00 0.00 C ATOM 1392 CG LEU A 95 5.795 -14.056 -9.554 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.716 -14.339 -8.377 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.457 -13.095 -10.531 1.00 0.00 C ATOM 0 H LEU A 95 3.157 -14.889 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 95 4.218 -14.433 -11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.267 -16.128 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.248 -15.671 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 95 4.886 -13.589 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.979 -13.401 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.208 -14.990 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.622 -14.829 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.724 -12.175 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.356 -13.555 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.765 -12.866 -11.342 1.00 0.00 H new