USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 689 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 41:sc= 0.251! USER MOD Set 2.1: A 32 TYR OH : rot -39:sc= -0.115 USER MOD Set 2.2: A 40 CYS SG : rot -5:sc= -0.0102 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0389 (180deg=-0.258) USER MOD Single : A 15 MET CE :methyl -97:sc= -0.11 (180deg=-2.13) USER MOD Single : A 17 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.049) USER MOD Single : A 18 MET CE :methyl -179:sc= 0 (180deg=-0.00731) USER MOD Single : A 20 ASN : amide:sc= -0.276 K(o=-0.28,f=-0.84) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -155:sc= -0.664 USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= -0.62 (180deg=-3.14!) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.302 (180deg=-1.06) USER MOD Single : A 59 SER OG : rot 10:sc= 0.175 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 72 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.9) USER MOD Single : A 78 SER OG : rot 9:sc= 0.422! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000531 USER MOD Single : A 85 SER OG : rot 180:sc= -0.967 USER MOD Single : A 89 SER OG : rot 43:sc= -0.0999 USER MOD Single : A 90 THR OG1 : rot -13:sc= 1.24 USER MOD Single : A 96 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.461 -12.258 7.687 1.00 0.00 N ATOM 105 CA LEU A 11 -3.006 -11.104 6.981 1.00 0.00 C ATOM 106 C LEU A 11 -4.479 -11.316 6.646 1.00 0.00 C ATOM 107 O LEU A 11 -5.293 -10.403 6.782 1.00 0.00 O ATOM 108 CB LEU A 11 -2.212 -10.845 5.699 1.00 0.00 C ATOM 109 CG LEU A 11 -2.524 -9.537 4.969 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.985 -8.349 5.750 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.945 -9.560 3.562 1.00 0.00 C ATOM 0 HA LEU A 11 -2.923 -10.236 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.150 -10.856 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.389 -11.672 5.012 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.607 -9.435 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.216 -7.427 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.447 -8.322 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.905 -8.445 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.177 -8.622 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.864 -9.686 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.379 -10.389 3.003 1.00 0.00 H new ATOM 123 N GLU A 12 -4.813 -12.527 6.211 1.00 0.00 N ATOM 124 CA GLU A 12 -6.189 -12.858 5.860 1.00 0.00 C ATOM 125 C GLU A 12 -7.118 -12.666 7.055 1.00 0.00 C ATOM 126 O GLU A 12 -8.262 -12.235 6.905 1.00 0.00 O ATOM 127 CB GLU A 12 -6.278 -14.301 5.358 1.00 0.00 C ATOM 128 CG GLU A 12 -6.094 -14.435 3.856 1.00 0.00 C ATOM 129 CD GLU A 12 -7.237 -13.823 3.071 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.365 -14.353 3.156 1.00 0.00 O ATOM 131 OE2 GLU A 12 -7.005 -12.815 2.372 1.00 0.00 O ATOM 0 H GLU A 12 -4.151 -13.294 6.093 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.505 -12.183 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.520 -14.900 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.248 -14.714 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.160 -13.955 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.005 -15.490 3.597 1.00 0.00 H new ATOM 138 N LYS A 13 -6.618 -12.988 8.243 1.00 0.00 N ATOM 139 CA LYS A 13 -7.400 -12.851 9.466 1.00 0.00 C ATOM 140 C LYS A 13 -7.700 -11.385 9.759 1.00 0.00 C ATOM 141 O LYS A 13 -8.861 -10.985 9.858 1.00 0.00 O ATOM 142 CB LYS A 13 -6.653 -13.476 10.647 1.00 0.00 C ATOM 143 CG LYS A 13 -6.983 -14.941 10.869 1.00 0.00 C ATOM 144 CD LYS A 13 -6.396 -15.817 9.775 1.00 0.00 C ATOM 145 CE LYS A 13 -7.350 -15.956 8.599 1.00 0.00 C ATOM 146 NZ LYS A 13 -8.542 -16.778 8.946 1.00 0.00 N ATOM 0 H LYS A 13 -5.674 -13.346 8.385 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.345 -13.375 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.580 -13.375 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.890 -12.918 11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.597 -15.259 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.065 -15.071 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.454 -15.390 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.170 -16.803 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.673 -14.967 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.827 -16.412 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.975 -17.147 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.252 -17.572 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.233 -16.190 9.454 1.00 0.00 H new ATOM 160 N LEU A 14 -6.647 -10.586 9.895 1.00 0.00 N ATOM 161 CA LEU A 14 -6.797 -9.162 10.174 1.00 0.00 C ATOM 162 C LEU A 14 -7.575 -8.468 9.061 1.00 0.00 C ATOM 163 O LEU A 14 -8.597 -7.829 9.310 1.00 0.00 O ATOM 164 CB LEU A 14 -5.425 -8.507 10.339 1.00 0.00 C ATOM 165 CG LEU A 14 -5.430 -7.028 10.727 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.439 -6.873 12.240 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.229 -6.314 10.123 1.00 0.00 C ATOM 0 H LEU A 14 -5.680 -10.900 9.817 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.357 -9.056 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.870 -9.059 11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.878 -8.614 9.402 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.337 -6.571 10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.442 -5.814 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.330 -7.349 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.551 -7.345 12.659 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.249 -5.263 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.311 -6.773 10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.266 -6.395 9.037 1.00 0.00 H new ATOM 179 N MET A 15 -7.084 -8.599 7.833 1.00 0.00 N ATOM 180 CA MET A 15 -7.736 -7.987 6.681 1.00 0.00 C ATOM 181 C MET A 15 -9.204 -8.392 6.607 1.00 0.00 C ATOM 182 O MET A 15 -10.050 -7.615 6.166 1.00 0.00 O ATOM 183 CB MET A 15 -7.019 -8.388 5.390 1.00 0.00 C ATOM 184 CG MET A 15 -5.662 -7.726 5.217 1.00 0.00 C ATOM 185 SD MET A 15 -5.777 -5.932 5.076 1.00 0.00 S ATOM 186 CE MET A 15 -4.543 -5.418 6.269 1.00 0.00 C ATOM 0 H MET A 15 -6.238 -9.123 7.610 1.00 0.00 H new ATOM 0 HA MET A 15 -7.682 -6.905 6.798 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.890 -9.470 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.650 -8.132 4.539 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.027 -7.980 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.178 -8.126 4.326 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.029 -5.182 7.216 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.825 -6.224 6.420 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.024 -4.535 5.898 1.00 0.00 H new ATOM 196 N GLU A 16 -9.499 -9.613 7.043 1.00 0.00 N ATOM 197 CA GLU A 16 -10.867 -10.120 7.025 1.00 0.00 C ATOM 198 C GLU A 16 -11.750 -9.337 7.992 1.00 0.00 C ATOM 199 O GLU A 16 -12.923 -9.088 7.715 1.00 0.00 O ATOM 200 CB GLU A 16 -10.888 -11.606 7.387 1.00 0.00 C ATOM 201 CG GLU A 16 -12.285 -12.155 7.626 1.00 0.00 C ATOM 202 CD GLU A 16 -13.087 -12.283 6.345 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.344 -11.247 5.699 1.00 0.00 O ATOM 204 OE2 GLU A 16 -13.458 -13.422 5.990 1.00 0.00 O ATOM 0 H GLU A 16 -8.810 -10.269 7.412 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.261 -9.993 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.416 -12.173 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.287 -11.761 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.211 -13.132 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.815 -11.501 8.319 1.00 0.00 H new ATOM 211 N ASN A 17 -11.177 -8.952 9.128 1.00 0.00 N ATOM 212 CA ASN A 17 -11.912 -8.198 10.137 1.00 0.00 C ATOM 213 C ASN A 17 -12.112 -6.751 9.697 1.00 0.00 C ATOM 214 O ASN A 17 -13.146 -6.145 9.974 1.00 0.00 O ATOM 215 CB ASN A 17 -11.170 -8.238 11.475 1.00 0.00 C ATOM 216 CG ASN A 17 -11.087 -9.640 12.048 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.098 -10.329 12.179 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.878 -10.067 12.392 1.00 0.00 N ATOM 0 H ASN A 17 -10.207 -9.150 9.373 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.891 -8.661 10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.163 -7.843 11.341 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.676 -7.586 12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.759 -11.002 12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.068 -9.461 12.265 1.00 0.00 H new ATOM 225 N MET A 18 -11.115 -6.204 9.010 1.00 0.00 N ATOM 226 CA MET A 18 -11.182 -4.829 8.530 1.00 0.00 C ATOM 227 C MET A 18 -12.101 -4.720 7.317 1.00 0.00 C ATOM 228 O MET A 18 -13.034 -3.917 7.304 1.00 0.00 O ATOM 229 CB MET A 18 -9.783 -4.323 8.170 1.00 0.00 C ATOM 230 CG MET A 18 -9.782 -2.943 7.531 1.00 0.00 C ATOM 231 SD MET A 18 -8.145 -2.442 6.965 1.00 0.00 S ATOM 232 CE MET A 18 -8.088 -3.229 5.357 1.00 0.00 C ATOM 0 H MET A 18 -10.251 -6.692 8.773 1.00 0.00 H new ATOM 0 HA MET A 18 -11.590 -4.211 9.330 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.172 -4.297 9.072 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.314 -5.031 7.487 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.472 -2.937 6.687 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.153 -2.213 8.251 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.126 -3.026 4.887 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.215 -4.305 5.474 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.888 -2.835 4.731 1.00 0.00 H new ATOM 242 N ARG A 19 -11.832 -5.534 6.301 1.00 0.00 N ATOM 243 CA ARG A 19 -12.635 -5.527 5.084 1.00 0.00 C ATOM 244 C ARG A 19 -14.124 -5.498 5.416 1.00 0.00 C ATOM 245 O ARG A 19 -14.928 -4.961 4.655 1.00 0.00 O ATOM 246 CB ARG A 19 -12.316 -6.756 4.231 1.00 0.00 C ATOM 247 CG ARG A 19 -10.975 -6.673 3.520 1.00 0.00 C ATOM 248 CD ARG A 19 -10.687 -7.936 2.724 1.00 0.00 C ATOM 249 NE ARG A 19 -10.318 -9.054 3.588 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.899 -10.229 3.131 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.795 -10.437 1.826 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.581 -11.198 3.980 1.00 0.00 N ATOM 0 H ARG A 19 -11.065 -6.206 6.297 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.388 -4.627 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.326 -7.641 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.104 -6.887 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.969 -5.812 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.183 -6.515 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.567 -8.205 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.881 -7.743 2.016 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.386 -8.926 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.037 -9.694 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.473 -11.340 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.658 -11.041 4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.259 -12.100 3.628 1.00 0.00 H new ATOM 266 N ASN A 20 -14.483 -6.078 6.556 1.00 0.00 N ATOM 267 CA ASN A 20 -15.876 -6.119 6.987 1.00 0.00 C ATOM 268 C ASN A 20 -16.384 -4.719 7.320 1.00 0.00 C ATOM 269 O ASN A 20 -17.190 -4.150 6.585 1.00 0.00 O ATOM 270 CB ASN A 20 -16.027 -7.032 8.206 1.00 0.00 C ATOM 271 CG ASN A 20 -16.221 -8.485 7.819 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.927 -8.795 6.859 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.594 -9.385 8.568 1.00 0.00 N ATOM 0 H ASN A 20 -13.829 -6.526 7.198 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.473 -6.517 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.142 -6.942 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.878 -6.701 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.688 -10.379 8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.019 -9.083 9.354 1.00 0.00 H new ATOM 280 N ASP A 21 -15.905 -4.172 8.432 1.00 0.00 N ATOM 281 CA ASP A 21 -16.309 -2.838 8.862 1.00 0.00 C ATOM 282 C ASP A 21 -15.945 -1.794 7.810 1.00 0.00 C ATOM 283 O ASP A 21 -16.525 -0.708 7.773 1.00 0.00 O ATOM 284 CB ASP A 21 -15.648 -2.487 10.196 1.00 0.00 C ATOM 285 CG ASP A 21 -16.502 -1.561 11.039 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.319 -0.815 10.459 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.354 -1.581 12.279 1.00 0.00 O ATOM 0 H ASP A 21 -15.237 -4.631 9.051 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.391 -2.837 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.452 -3.403 10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.683 -2.016 10.007 1.00 0.00 H new ATOM 292 N ILE A 22 -14.982 -2.131 6.958 1.00 0.00 N ATOM 293 CA ILE A 22 -14.542 -1.223 5.906 1.00 0.00 C ATOM 294 C ILE A 22 -15.468 -1.293 4.697 1.00 0.00 C ATOM 295 O ILE A 22 -15.729 -0.284 4.043 1.00 0.00 O ATOM 296 CB ILE A 22 -13.103 -1.539 5.456 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.096 -0.810 6.348 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.907 -1.150 3.999 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.117 0.693 6.181 1.00 0.00 C ATOM 0 H ILE A 22 -14.492 -3.025 6.976 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.571 -0.217 6.324 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.935 -2.612 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.302 -1.054 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.094 -1.178 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.886 -1.379 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.605 -1.709 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.090 -0.082 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.378 1.143 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.881 0.948 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.108 1.073 6.431 1.00 0.00 H new ATOM 311 N ALA A 23 -15.962 -2.492 4.405 1.00 0.00 N ATOM 312 CA ALA A 23 -16.862 -2.693 3.276 1.00 0.00 C ATOM 313 C ALA A 23 -18.296 -2.329 3.646 1.00 0.00 C ATOM 314 O ALA A 23 -19.124 -2.066 2.774 1.00 0.00 O ATOM 315 CB ALA A 23 -16.789 -4.134 2.794 1.00 0.00 C ATOM 0 H ALA A 23 -15.754 -3.339 4.935 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.545 -2.034 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.466 -4.270 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.770 -4.362 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.079 -4.804 3.604 1.00 0.00 H new ATOM 321 N SER A 24 -18.583 -2.317 4.944 1.00 0.00 N ATOM 322 CA SER A 24 -19.919 -1.990 5.428 1.00 0.00 C ATOM 323 C SER A 24 -20.008 -0.518 5.821 1.00 0.00 C ATOM 324 O SER A 24 -21.052 0.117 5.662 1.00 0.00 O ATOM 325 CB SER A 24 -20.281 -2.872 6.625 1.00 0.00 C ATOM 326 OG SER A 24 -21.684 -3.041 6.727 1.00 0.00 O ATOM 0 H SER A 24 -17.908 -2.530 5.679 1.00 0.00 H new ATOM 0 HA SER A 24 -20.627 -2.177 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.801 -3.845 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.898 -2.423 7.541 1.00 0.00 H new ATOM 0 HG SER A 24 -21.890 -3.609 7.498 1.00 0.00 H new ATOM 332 N HIS A 25 -18.907 0.018 6.337 1.00 0.00 N ATOM 333 CA HIS A 25 -18.860 1.415 6.753 1.00 0.00 C ATOM 334 C HIS A 25 -17.635 2.115 6.170 1.00 0.00 C ATOM 335 O HIS A 25 -16.832 2.712 6.886 1.00 0.00 O ATOM 336 CB HIS A 25 -18.840 1.515 8.278 1.00 0.00 C ATOM 337 CG HIS A 25 -20.205 1.550 8.894 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.716 2.662 9.528 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.166 0.600 8.969 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.933 2.395 9.968 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.230 1.150 9.641 1.00 0.00 N ATOM 0 H HIS A 25 -18.036 -0.493 6.477 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.754 1.911 6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.290 0.666 8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.296 2.414 8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.107 -0.403 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.575 3.078 10.504 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.107 0.674 9.853 1.00 0.00 H new ATOM 349 N PRO A 26 -17.488 2.040 4.839 1.00 0.00 N ATOM 350 CA PRO A 26 -16.364 2.659 4.130 1.00 0.00 C ATOM 351 C PRO A 26 -16.135 4.104 4.559 1.00 0.00 C ATOM 352 O PRO A 26 -17.063 4.821 4.934 1.00 0.00 O ATOM 353 CB PRO A 26 -16.794 2.599 2.662 1.00 0.00 C ATOM 354 CG PRO A 26 -17.733 1.445 2.589 1.00 0.00 C ATOM 355 CD PRO A 26 -18.408 1.344 3.923 1.00 0.00 C ATOM 0 HA PRO A 26 -15.423 2.149 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.280 3.525 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.937 2.454 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.466 1.594 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.196 0.525 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.391 1.815 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.556 0.305 4.218 1.00 0.00 H new ATOM 363 N PRO A 27 -14.869 4.545 4.504 1.00 0.00 N ATOM 364 CA PRO A 27 -14.488 5.909 4.882 1.00 0.00 C ATOM 365 C PRO A 27 -14.997 6.949 3.890 1.00 0.00 C ATOM 366 O PRO A 27 -15.377 6.617 2.767 1.00 0.00 O ATOM 367 CB PRO A 27 -12.958 5.866 4.873 1.00 0.00 C ATOM 368 CG PRO A 27 -12.616 4.766 3.929 1.00 0.00 C ATOM 369 CD PRO A 27 -13.712 3.746 4.067 1.00 0.00 C ATOM 0 HA PRO A 27 -14.914 6.199 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.537 6.816 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.562 5.670 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.553 5.136 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.646 4.332 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.909 3.237 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.456 2.977 4.796 1.00 0.00 H new ATOM 377 N VAL A 28 -15.003 8.210 4.311 1.00 0.00 N ATOM 378 CA VAL A 28 -15.464 9.299 3.459 1.00 0.00 C ATOM 379 C VAL A 28 -14.400 9.686 2.438 1.00 0.00 C ATOM 380 O VAL A 28 -13.300 10.102 2.801 1.00 0.00 O ATOM 381 CB VAL A 28 -15.838 10.541 4.289 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.258 11.686 3.379 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.942 10.206 5.281 1.00 0.00 C ATOM 0 H VAL A 28 -14.693 8.502 5.238 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.351 8.939 2.937 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.959 10.859 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.519 12.555 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.434 11.942 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.122 11.383 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.194 11.095 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.824 9.862 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.600 9.420 5.954 1.00 0.00 H new ATOM 393 N GLU A 29 -14.736 9.547 1.159 1.00 0.00 N ATOM 394 CA GLU A 29 -13.808 9.882 0.085 1.00 0.00 C ATOM 395 C GLU A 29 -13.437 11.362 0.129 1.00 0.00 C ATOM 396 O GLU A 29 -14.216 12.221 -0.280 1.00 0.00 O ATOM 397 CB GLU A 29 -14.422 9.539 -1.274 1.00 0.00 C ATOM 398 CG GLU A 29 -15.566 10.455 -1.674 1.00 0.00 C ATOM 399 CD GLU A 29 -16.485 9.826 -2.702 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.830 8.636 -2.539 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.859 10.521 -3.669 1.00 0.00 O ATOM 0 H GLU A 29 -15.643 9.205 0.842 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.901 9.293 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.645 9.588 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.782 8.511 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.144 10.717 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.160 11.383 -2.075 1.00 0.00 H new ATOM 408 N GLY A 30 -12.239 11.651 0.629 1.00 0.00 N ATOM 409 CA GLY A 30 -11.784 13.026 0.718 1.00 0.00 C ATOM 410 C GLY A 30 -11.952 13.603 2.110 1.00 0.00 C ATOM 411 O GLY A 30 -12.351 14.757 2.267 1.00 0.00 O ATOM 0 H GLY A 30 -11.576 10.957 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.734 13.077 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.339 13.636 0.006 1.00 0.00 H new ATOM 415 N SER A 31 -11.649 12.798 3.123 1.00 0.00 N ATOM 416 CA SER A 31 -11.774 13.233 4.509 1.00 0.00 C ATOM 417 C SER A 31 -10.431 13.148 5.229 1.00 0.00 C ATOM 418 O SER A 31 -9.909 14.152 5.713 1.00 0.00 O ATOM 419 CB SER A 31 -12.813 12.382 5.242 1.00 0.00 C ATOM 420 OG SER A 31 -14.105 12.956 5.141 1.00 0.00 O ATOM 0 H SER A 31 -11.315 11.841 3.010 1.00 0.00 H new ATOM 0 HA SER A 31 -12.101 14.273 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.825 11.376 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.535 12.287 6.292 1.00 0.00 H new ATOM 0 HG SER A 31 -14.654 12.660 5.897 1.00 0.00 H new ATOM 426 N TYR A 32 -9.878 11.942 5.294 1.00 0.00 N ATOM 427 CA TYR A 32 -8.598 11.724 5.956 1.00 0.00 C ATOM 428 C TYR A 32 -7.471 12.433 5.211 1.00 0.00 C ATOM 429 O TYR A 32 -7.312 12.270 4.002 1.00 0.00 O ATOM 430 CB TYR A 32 -8.298 10.227 6.051 1.00 0.00 C ATOM 431 CG TYR A 32 -6.834 9.915 6.263 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.931 9.969 5.208 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.352 9.566 7.519 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.593 9.684 5.397 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.015 9.281 7.718 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.140 9.341 6.654 1.00 0.00 C ATOM 437 OH TYR A 32 -2.807 9.058 6.847 1.00 0.00 O ATOM 0 H TYR A 32 -10.296 11.101 4.896 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.663 12.140 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.874 9.801 6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.636 9.739 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.282 10.239 4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.035 9.517 8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.905 9.729 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.657 9.013 8.701 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.466 8.551 6.081 1.00 0.00 H new ATOM 447 N ALA A 33 -6.691 13.221 5.944 1.00 0.00 N ATOM 448 CA ALA A 33 -5.577 13.954 5.355 1.00 0.00 C ATOM 449 C ALA A 33 -4.271 13.183 5.506 1.00 0.00 C ATOM 450 O ALA A 33 -3.741 13.023 6.606 1.00 0.00 O ATOM 451 CB ALA A 33 -5.456 15.331 5.990 1.00 0.00 C ATOM 0 H ALA A 33 -6.810 13.368 6.946 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.776 14.074 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.620 15.867 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.377 15.890 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.284 15.224 7.061 1.00 0.00 H new ATOM 457 N PRO A 34 -3.738 12.692 4.378 1.00 0.00 N ATOM 458 CA PRO A 34 -2.486 11.929 4.360 1.00 0.00 C ATOM 459 C PRO A 34 -1.273 12.798 4.671 1.00 0.00 C ATOM 460 O PRO A 34 -1.136 13.901 4.142 1.00 0.00 O ATOM 461 CB PRO A 34 -2.413 11.401 2.925 1.00 0.00 C ATOM 462 CG PRO A 34 -3.215 12.368 2.124 1.00 0.00 C ATOM 463 CD PRO A 34 -4.316 12.845 3.032 1.00 0.00 C ATOM 0 HA PRO A 34 -2.475 11.146 5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.383 11.354 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.821 10.393 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.599 13.201 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.623 11.892 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.586 13.881 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.221 12.250 2.913 1.00 0.00 H new ATOM 471 N ARG A 35 -0.394 12.293 5.531 1.00 0.00 N ATOM 472 CA ARG A 35 0.808 13.025 5.913 1.00 0.00 C ATOM 473 C ARG A 35 2.052 12.162 5.722 1.00 0.00 C ATOM 474 O ARG A 35 2.035 10.962 5.994 1.00 0.00 O ATOM 475 CB ARG A 35 0.711 13.484 7.369 1.00 0.00 C ATOM 476 CG ARG A 35 -0.543 14.288 7.671 1.00 0.00 C ATOM 477 CD ARG A 35 -0.317 15.776 7.452 1.00 0.00 C ATOM 478 NE ARG A 35 -1.572 16.521 7.417 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.639 17.847 7.356 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.527 18.569 7.324 1.00 0.00 N ATOM 481 NH2 ARG A 35 -2.819 18.452 7.327 1.00 0.00 N ATOM 0 H ARG A 35 -0.492 11.380 5.976 1.00 0.00 H new ATOM 0 HA ARG A 35 0.891 13.900 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.737 12.610 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.586 14.087 7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.358 13.945 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.849 14.113 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.315 16.168 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.220 15.927 6.516 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.446 15.995 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.382 18.107 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.581 19.587 7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.676 17.900 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.869 19.470 7.280 1.00 0.00 H new ATOM 495 N ARG A 36 3.130 12.783 5.254 1.00 0.00 N ATOM 496 CA ARG A 36 4.382 12.072 5.025 1.00 0.00 C ATOM 497 C ARG A 36 4.824 11.331 6.283 1.00 0.00 C ATOM 498 O ARG A 36 5.182 11.947 7.286 1.00 0.00 O ATOM 499 CB ARG A 36 5.475 13.049 4.586 1.00 0.00 C ATOM 500 CG ARG A 36 6.793 12.374 4.244 1.00 0.00 C ATOM 501 CD ARG A 36 7.575 13.170 3.211 1.00 0.00 C ATOM 502 NE ARG A 36 8.464 14.148 3.831 1.00 0.00 N ATOM 503 CZ ARG A 36 9.522 13.819 4.564 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.821 12.543 4.767 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.283 14.766 5.096 1.00 0.00 N ATOM 0 H ARG A 36 3.161 13.777 5.026 1.00 0.00 H new ATOM 0 HA ARG A 36 4.216 11.342 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.125 13.606 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.644 13.774 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.391 12.263 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.601 11.371 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.160 12.487 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.880 13.683 2.546 1.00 0.00 H new ATOM 0 HE ARG A 36 8.262 15.138 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.238 11.812 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.634 12.293 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.056 15.749 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.095 14.512 5.659 1.00 0.00 H new ATOM 519 N GLY A 37 4.795 10.003 6.223 1.00 0.00 N ATOM 520 CA GLY A 37 5.194 9.199 7.363 1.00 0.00 C ATOM 521 C GLY A 37 4.028 8.860 8.270 1.00 0.00 C ATOM 522 O GLY A 37 4.168 8.848 9.493 1.00 0.00 O ATOM 0 H GLY A 37 4.502 9.470 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.655 8.277 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.951 9.736 7.935 1.00 0.00 H new ATOM 526 N GLU A 38 2.873 8.587 7.670 1.00 0.00 N ATOM 527 CA GLU A 38 1.677 8.250 8.433 1.00 0.00 C ATOM 528 C GLU A 38 0.976 7.033 7.836 1.00 0.00 C ATOM 529 O GLU A 38 0.845 6.914 6.617 1.00 0.00 O ATOM 530 CB GLU A 38 0.716 9.439 8.470 1.00 0.00 C ATOM 531 CG GLU A 38 0.969 10.391 9.628 1.00 0.00 C ATOM 532 CD GLU A 38 0.601 9.788 10.970 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.378 9.015 11.025 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.293 10.090 11.965 1.00 0.00 O ATOM 0 H GLU A 38 2.741 8.593 6.659 1.00 0.00 H new ATOM 0 HA GLU A 38 1.983 8.009 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.797 9.990 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.307 9.067 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.022 10.674 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.395 11.305 9.475 1.00 0.00 H new ATOM 541 N PHE A 39 0.527 6.132 8.703 1.00 0.00 N ATOM 542 CA PHE A 39 -0.160 4.923 8.262 1.00 0.00 C ATOM 543 C PHE A 39 -1.618 5.220 7.921 1.00 0.00 C ATOM 544 O PHE A 39 -2.238 6.102 8.515 1.00 0.00 O ATOM 545 CB PHE A 39 -0.088 3.846 9.345 1.00 0.00 C ATOM 546 CG PHE A 39 1.276 3.232 9.490 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.773 2.379 8.519 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.061 3.510 10.598 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.027 1.813 8.650 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.316 2.948 10.735 1.00 0.00 C ATOM 551 CZ PHE A 39 3.800 2.098 9.759 1.00 0.00 C ATOM 0 H PHE A 39 0.626 6.216 9.715 1.00 0.00 H new ATOM 0 HA PHE A 39 0.339 4.559 7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.385 4.281 10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.808 3.061 9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.174 2.153 7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.687 4.174 11.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.402 1.148 7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.917 3.173 11.603 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.781 1.657 9.863 1.00 0.00 H new ATOM 561 N CYS A 40 -2.157 4.477 6.960 1.00 0.00 N ATOM 562 CA CYS A 40 -3.541 4.661 6.538 1.00 0.00 C ATOM 563 C CYS A 40 -3.972 3.549 5.587 1.00 0.00 C ATOM 564 O CYS A 40 -3.150 2.746 5.143 1.00 0.00 O ATOM 565 CB CYS A 40 -3.714 6.022 5.862 1.00 0.00 C ATOM 566 SG CYS A 40 -2.533 6.340 4.530 1.00 0.00 S ATOM 0 H CYS A 40 -1.657 3.742 6.459 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.173 4.621 7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.725 6.090 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.616 6.805 6.614 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.678 5.363 4.465 1.00 0.00 H new ATOM 572 N ILE A 41 -5.264 3.506 5.281 1.00 0.00 N ATOM 573 CA ILE A 41 -5.803 2.492 4.384 1.00 0.00 C ATOM 574 C ILE A 41 -6.029 3.059 2.986 1.00 0.00 C ATOM 575 O ILE A 41 -6.642 4.113 2.824 1.00 0.00 O ATOM 576 CB ILE A 41 -7.131 1.919 4.914 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.179 3.028 5.031 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.916 1.242 6.259 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.510 2.547 5.565 1.00 0.00 C ATOM 0 H ILE A 41 -5.957 4.162 5.641 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.066 1.691 4.334 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.496 1.173 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.796 3.811 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.331 3.478 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.863 0.842 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.198 0.429 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.532 1.969 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.204 3.386 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.915 1.785 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.371 2.123 6.560 1.00 0.00 H new ATOM 591 N ALA A 42 -5.531 2.349 1.978 1.00 0.00 N ATOM 592 CA ALA A 42 -5.681 2.779 0.594 1.00 0.00 C ATOM 593 C ALA A 42 -6.573 1.819 -0.185 1.00 0.00 C ATOM 594 O ALA A 42 -6.415 0.601 -0.100 1.00 0.00 O ATOM 595 CB ALA A 42 -4.319 2.896 -0.074 1.00 0.00 C ATOM 0 H ALA A 42 -5.020 1.474 2.095 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.158 3.759 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.447 3.218 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.713 3.627 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.820 1.927 -0.055 1.00 0.00 H new ATOM 601 N LYS A 43 -7.512 2.374 -0.943 1.00 0.00 N ATOM 602 CA LYS A 43 -8.431 1.568 -1.739 1.00 0.00 C ATOM 603 C LYS A 43 -7.755 1.071 -3.013 1.00 0.00 C ATOM 604 O LYS A 43 -7.166 1.852 -3.760 1.00 0.00 O ATOM 605 CB LYS A 43 -9.678 2.380 -2.094 1.00 0.00 C ATOM 606 CG LYS A 43 -10.925 1.531 -2.276 1.00 0.00 C ATOM 607 CD LYS A 43 -12.161 2.392 -2.478 1.00 0.00 C ATOM 608 CE LYS A 43 -13.426 1.549 -2.523 1.00 0.00 C ATOM 609 NZ LYS A 43 -13.753 1.112 -3.908 1.00 0.00 N ATOM 0 H LYS A 43 -7.657 3.380 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.725 0.704 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.859 3.114 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.490 2.936 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.795 0.872 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.063 0.894 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.235 3.119 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.065 2.956 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.302 0.673 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.259 2.123 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.027 0.109 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.541 1.683 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.920 1.238 -4.518 1.00 0.00 H new ATOM 623 N PHE A 44 -7.844 -0.233 -3.255 1.00 0.00 N ATOM 624 CA PHE A 44 -7.242 -0.834 -4.439 1.00 0.00 C ATOM 625 C PHE A 44 -8.189 -0.751 -5.632 1.00 0.00 C ATOM 626 O PHE A 44 -9.404 -0.636 -5.469 1.00 0.00 O ATOM 627 CB PHE A 44 -6.874 -2.294 -4.165 1.00 0.00 C ATOM 628 CG PHE A 44 -5.840 -2.838 -5.108 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.691 -2.116 -5.389 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.015 -4.072 -5.712 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.738 -2.614 -6.257 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.065 -4.576 -6.580 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.924 -3.847 -6.852 1.00 0.00 C ATOM 0 H PHE A 44 -8.327 -0.894 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.336 -0.277 -4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.504 -2.382 -3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.773 -2.906 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.539 -1.153 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.905 -4.647 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.848 -2.040 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.215 -5.539 -7.045 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.179 -4.240 -7.528 1.00 0.00 H new ATOM 643 N VAL A 45 -7.624 -0.810 -6.834 1.00 0.00 N ATOM 644 CA VAL A 45 -8.416 -0.743 -8.056 1.00 0.00 C ATOM 645 C VAL A 45 -9.564 -1.746 -8.022 1.00 0.00 C ATOM 646 O VAL A 45 -10.581 -1.564 -8.691 1.00 0.00 O ATOM 647 CB VAL A 45 -7.551 -1.011 -9.302 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.403 -0.015 -9.379 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.029 -2.439 -9.290 1.00 0.00 C ATOM 0 H VAL A 45 -6.620 -0.904 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.821 0.267 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.172 -0.883 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.803 -0.220 -10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.803 0.997 -9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.780 -0.108 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.420 -2.611 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.423 -2.597 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.869 -3.133 -9.286 1.00 0.00 H new ATOM 659 N ASP A 46 -9.393 -2.806 -7.240 1.00 0.00 N ATOM 660 CA ASP A 46 -10.416 -3.838 -7.117 1.00 0.00 C ATOM 661 C ASP A 46 -11.388 -3.510 -5.988 1.00 0.00 C ATOM 662 O ASP A 46 -12.104 -4.382 -5.498 1.00 0.00 O ATOM 663 CB ASP A 46 -9.767 -5.201 -6.868 1.00 0.00 C ATOM 664 CG ASP A 46 -9.162 -5.310 -5.482 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.334 -4.364 -4.684 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.519 -6.340 -5.195 1.00 0.00 O ATOM 0 H ASP A 46 -8.556 -2.973 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.974 -3.874 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.513 -5.985 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.991 -5.373 -7.614 1.00 0.00 H new ATOM 671 N GLY A 47 -11.406 -2.245 -5.579 1.00 0.00 N ATOM 672 CA GLY A 47 -12.292 -1.824 -4.510 1.00 0.00 C ATOM 673 C GLY A 47 -11.998 -2.529 -3.201 1.00 0.00 C ATOM 674 O GLY A 47 -12.915 -2.878 -2.458 1.00 0.00 O ATOM 0 H GLY A 47 -10.823 -1.505 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.199 -0.747 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.324 -2.019 -4.800 1.00 0.00 H new ATOM 678 N GLU A 48 -10.716 -2.741 -2.920 1.00 0.00 N ATOM 679 CA GLU A 48 -10.306 -3.413 -1.692 1.00 0.00 C ATOM 680 C GLU A 48 -9.353 -2.535 -0.885 1.00 0.00 C ATOM 681 O GLU A 48 -8.313 -2.106 -1.385 1.00 0.00 O ATOM 682 CB GLU A 48 -9.634 -4.749 -2.016 1.00 0.00 C ATOM 683 CG GLU A 48 -10.519 -5.699 -2.806 1.00 0.00 C ATOM 684 CD GLU A 48 -11.473 -6.478 -1.923 1.00 0.00 C ATOM 685 OE1 GLU A 48 -10.995 -7.217 -1.037 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.700 -6.348 -2.117 1.00 0.00 O ATOM 0 H GLU A 48 -9.945 -2.458 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.198 -3.599 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.722 -4.560 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.337 -5.232 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.091 -5.131 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.892 -6.397 -3.361 1.00 0.00 H new ATOM 693 N TRP A 49 -9.717 -2.273 0.365 1.00 0.00 N ATOM 694 CA TRP A 49 -8.896 -1.446 1.242 1.00 0.00 C ATOM 695 C TRP A 49 -7.707 -2.235 1.778 1.00 0.00 C ATOM 696 O TRP A 49 -7.832 -3.414 2.110 1.00 0.00 O ATOM 697 CB TRP A 49 -9.734 -0.910 2.404 1.00 0.00 C ATOM 698 CG TRP A 49 -10.731 0.129 1.988 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.030 -0.082 1.621 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.510 1.540 1.895 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.629 1.114 1.306 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.718 2.124 1.466 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.409 2.368 2.134 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.853 3.496 1.271 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.545 3.729 1.939 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.759 4.282 1.512 1.00 0.00 C ATOM 0 H TRP A 49 -10.575 -2.621 0.794 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.518 -0.606 0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.260 -1.740 2.876 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.069 -0.485 3.156 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.515 -1.046 1.584 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.596 1.231 1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.469 1.951 2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.788 3.925 0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.701 4.378 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.833 5.350 1.370 1.00 0.00 H new ATOM 717 N TYR A 50 -6.555 -1.578 1.861 1.00 0.00 N ATOM 718 CA TYR A 50 -5.343 -2.220 2.355 1.00 0.00 C ATOM 719 C TYR A 50 -4.503 -1.243 3.172 1.00 0.00 C ATOM 720 O TYR A 50 -4.617 -0.027 3.014 1.00 0.00 O ATOM 721 CB TYR A 50 -4.518 -2.767 1.188 1.00 0.00 C ATOM 722 CG TYR A 50 -5.217 -3.862 0.414 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.374 -5.132 0.955 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.721 -3.626 -0.860 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.010 -6.135 0.251 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.360 -4.623 -1.571 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.502 -5.876 -1.011 1.00 0.00 C ATOM 728 OH TYR A 50 -7.138 -6.872 -1.716 1.00 0.00 O ATOM 0 H TYR A 50 -6.435 -0.601 1.592 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.638 -3.046 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.278 -1.949 0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.572 -3.151 1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.992 -5.338 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.611 -2.646 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.122 -7.117 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.746 -4.423 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.425 -6.525 -2.586 1.00 0.00 H new ATOM 738 N ARG A 51 -3.660 -1.784 4.045 1.00 0.00 N ATOM 739 CA ARG A 51 -2.801 -0.962 4.888 1.00 0.00 C ATOM 740 C ARG A 51 -1.630 -0.401 4.087 1.00 0.00 C ATOM 741 O ARG A 51 -0.953 -1.132 3.364 1.00 0.00 O ATOM 742 CB ARG A 51 -2.279 -1.778 6.072 1.00 0.00 C ATOM 743 CG ARG A 51 -3.221 -1.792 7.265 1.00 0.00 C ATOM 744 CD ARG A 51 -2.466 -2.001 8.568 1.00 0.00 C ATOM 745 NE ARG A 51 -2.342 -3.416 8.908 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.373 -4.200 8.450 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.447 -3.709 7.637 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.327 -5.478 8.804 1.00 0.00 N ATOM 0 H ARG A 51 -3.554 -2.788 4.187 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.394 -0.129 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.103 -2.803 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.316 -1.374 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.770 -0.851 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.958 -2.585 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.473 -1.559 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.982 -1.478 9.374 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.038 -3.825 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.478 -2.727 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.296 -4.313 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.037 -5.860 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.582 -6.078 8.451 1.00 0.00 H new ATOM 762 N ALA A 52 -1.397 0.901 4.221 1.00 0.00 N ATOM 763 CA ALA A 52 -0.307 1.559 3.512 1.00 0.00 C ATOM 764 C ALA A 52 0.226 2.747 4.305 1.00 0.00 C ATOM 765 O ALA A 52 -0.518 3.402 5.036 1.00 0.00 O ATOM 766 CB ALA A 52 -0.769 2.007 2.133 1.00 0.00 C ATOM 0 H ALA A 52 -1.949 1.521 4.814 1.00 0.00 H new ATOM 0 HA ALA A 52 0.504 0.840 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.055 2.497 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.095 1.140 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.599 2.706 2.237 1.00 0.00 H new ATOM 772 N ARG A 53 1.518 3.019 4.157 1.00 0.00 N ATOM 773 CA ARG A 53 2.151 4.128 4.862 1.00 0.00 C ATOM 774 C ARG A 53 2.525 5.246 3.893 1.00 0.00 C ATOM 775 O ARG A 53 3.319 5.045 2.973 1.00 0.00 O ATOM 776 CB ARG A 53 3.398 3.643 5.604 1.00 0.00 C ATOM 777 CG ARG A 53 4.140 4.749 6.335 1.00 0.00 C ATOM 778 CD ARG A 53 5.290 4.196 7.163 1.00 0.00 C ATOM 779 NE ARG A 53 6.159 3.324 6.378 1.00 0.00 N ATOM 780 CZ ARG A 53 7.115 2.569 6.909 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.323 2.580 8.218 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.865 1.801 6.129 1.00 0.00 N ATOM 0 H ARG A 53 2.147 2.487 3.556 1.00 0.00 H new ATOM 0 HA ARG A 53 1.436 4.521 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.108 2.876 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.075 3.173 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.524 5.470 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.448 5.286 6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.875 5.022 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.891 3.641 8.012 1.00 0.00 H new ATOM 0 HE ARG A 53 6.025 3.293 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.748 3.169 8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.058 1.999 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.708 1.790 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.599 1.222 6.537 1.00 0.00 H new ATOM 796 N VAL A 54 1.947 6.424 4.105 1.00 0.00 N ATOM 797 CA VAL A 54 2.220 7.574 3.251 1.00 0.00 C ATOM 798 C VAL A 54 3.719 7.769 3.054 1.00 0.00 C ATOM 799 O VAL A 54 4.467 7.918 4.020 1.00 0.00 O ATOM 800 CB VAL A 54 1.618 8.864 3.839 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.824 10.032 2.886 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.141 8.671 4.146 1.00 0.00 C ATOM 0 H VAL A 54 1.287 6.607 4.861 1.00 0.00 H new ATOM 0 HA VAL A 54 1.754 7.371 2.287 1.00 0.00 H new ATOM 0 HB VAL A 54 2.133 9.092 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.392 10.935 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.891 10.183 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.337 9.816 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.268 9.592 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.391 8.418 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.022 7.864 4.869 1.00 0.00 H new ATOM 812 N GLU A 55 4.150 7.768 1.797 1.00 0.00 N ATOM 813 CA GLU A 55 5.561 7.945 1.474 1.00 0.00 C ATOM 814 C GLU A 55 5.844 9.380 1.039 1.00 0.00 C ATOM 815 O GLU A 55 6.853 9.970 1.424 1.00 0.00 O ATOM 816 CB GLU A 55 5.979 6.973 0.368 1.00 0.00 C ATOM 817 CG GLU A 55 5.759 5.513 0.725 1.00 0.00 C ATOM 818 CD GLU A 55 6.689 4.581 -0.027 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.667 4.600 -1.275 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.440 3.834 0.634 1.00 0.00 O ATOM 0 H GLU A 55 3.543 7.647 0.986 1.00 0.00 H new ATOM 0 HA GLU A 55 6.142 7.735 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.419 7.205 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.034 7.127 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.905 5.379 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.726 5.242 0.508 1.00 0.00 H new ATOM 827 N LYS A 56 4.945 9.935 0.233 1.00 0.00 N ATOM 828 CA LYS A 56 5.095 11.301 -0.255 1.00 0.00 C ATOM 829 C LYS A 56 3.749 11.879 -0.679 1.00 0.00 C ATOM 830 O LYS A 56 3.123 11.394 -1.622 1.00 0.00 O ATOM 831 CB LYS A 56 6.072 11.339 -1.433 1.00 0.00 C ATOM 832 CG LYS A 56 5.772 12.439 -2.436 1.00 0.00 C ATOM 833 CD LYS A 56 6.925 12.638 -3.406 1.00 0.00 C ATOM 834 CE LYS A 56 6.785 13.941 -4.178 1.00 0.00 C ATOM 835 NZ LYS A 56 6.509 15.094 -3.276 1.00 0.00 N ATOM 0 H LYS A 56 4.105 9.460 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 56 5.491 11.909 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.084 11.473 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.049 10.377 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.867 12.190 -2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.575 13.371 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.867 12.638 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.963 11.802 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.700 14.130 -4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.978 13.847 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.905 15.962 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.482 15.204 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.947 14.922 -2.349 1.00 0.00 H new ATOM 849 N VAL A 57 3.309 12.918 0.023 1.00 0.00 N ATOM 850 CA VAL A 57 2.037 13.564 -0.283 1.00 0.00 C ATOM 851 C VAL A 57 2.230 14.730 -1.245 1.00 0.00 C ATOM 852 O VAL A 57 2.709 15.795 -0.856 1.00 0.00 O ATOM 853 CB VAL A 57 1.346 14.075 0.995 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.039 14.773 0.653 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.110 12.930 1.968 1.00 0.00 C ATOM 0 H VAL A 57 3.814 13.331 0.807 1.00 0.00 H new ATOM 0 HA VAL A 57 1.404 12.811 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 57 2.002 14.800 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.435 15.127 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.240 15.620 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.626 14.073 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.621 13.310 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.475 12.179 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.065 12.480 2.238 1.00 0.00 H new ATOM 865 N GLU A 58 1.855 14.522 -2.503 1.00 0.00 N ATOM 866 CA GLU A 58 1.987 15.557 -3.521 1.00 0.00 C ATOM 867 C GLU A 58 0.805 16.521 -3.474 1.00 0.00 C ATOM 868 O GLU A 58 0.962 17.697 -3.148 1.00 0.00 O ATOM 869 CB GLU A 58 2.090 14.926 -4.911 1.00 0.00 C ATOM 870 CG GLU A 58 3.517 14.624 -5.338 1.00 0.00 C ATOM 871 CD GLU A 58 4.306 15.876 -5.666 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.330 16.800 -4.826 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.900 15.932 -6.764 1.00 0.00 O ATOM 0 H GLU A 58 1.457 13.646 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 58 2.899 16.118 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.512 14.002 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.636 15.597 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.023 14.079 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.500 13.971 -6.210 1.00 0.00 H new ATOM 880 N SER A 59 -0.378 16.013 -3.802 1.00 0.00 N ATOM 881 CA SER A 59 -1.587 16.828 -3.802 1.00 0.00 C ATOM 882 C SER A 59 -2.805 15.995 -3.414 1.00 0.00 C ATOM 883 O SER A 59 -2.789 14.765 -3.465 1.00 0.00 O ATOM 884 CB SER A 59 -1.803 17.458 -5.179 1.00 0.00 C ATOM 885 OG SER A 59 -0.923 18.549 -5.385 1.00 0.00 O ATOM 0 H SER A 59 -0.525 15.040 -4.071 1.00 0.00 H new ATOM 0 HA SER A 59 -1.461 17.620 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.645 16.708 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.835 17.797 -5.269 1.00 0.00 H new ATOM 0 HG SER A 59 -0.257 18.572 -4.667 1.00 0.00 H new ATOM 891 N PRO A 60 -3.888 16.680 -3.018 1.00 0.00 N ATOM 892 CA PRO A 60 -5.135 16.024 -2.614 1.00 0.00 C ATOM 893 C PRO A 60 -5.578 14.958 -3.610 1.00 0.00 C ATOM 894 O PRO A 60 -6.417 14.113 -3.297 1.00 0.00 O ATOM 895 CB PRO A 60 -6.145 17.175 -2.578 1.00 0.00 C ATOM 896 CG PRO A 60 -5.324 18.391 -2.323 1.00 0.00 C ATOM 897 CD PRO A 60 -3.978 18.147 -2.933 1.00 0.00 C ATOM 0 HA PRO A 60 -5.031 15.500 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.688 17.254 -3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.887 17.026 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.793 19.272 -2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.234 18.578 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.895 18.610 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.179 18.561 -2.317 1.00 0.00 H new ATOM 905 N ALA A 61 -5.009 15.003 -4.810 1.00 0.00 N ATOM 906 CA ALA A 61 -5.344 14.039 -5.851 1.00 0.00 C ATOM 907 C ALA A 61 -4.217 13.031 -6.048 1.00 0.00 C ATOM 908 O ALA A 61 -4.429 11.944 -6.587 1.00 0.00 O ATOM 909 CB ALA A 61 -5.648 14.756 -7.157 1.00 0.00 C ATOM 0 H ALA A 61 -4.314 15.697 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.233 13.494 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.896 14.023 -7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.491 15.431 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.774 15.328 -7.470 1.00 0.00 H new ATOM 915 N LYS A 62 -3.018 13.397 -5.609 1.00 0.00 N ATOM 916 CA LYS A 62 -1.856 12.525 -5.737 1.00 0.00 C ATOM 917 C LYS A 62 -1.187 12.308 -4.383 1.00 0.00 C ATOM 918 O LYS A 62 -0.623 13.237 -3.803 1.00 0.00 O ATOM 919 CB LYS A 62 -0.851 13.122 -6.724 1.00 0.00 C ATOM 920 CG LYS A 62 -1.337 13.120 -8.163 1.00 0.00 C ATOM 921 CD LYS A 62 -0.182 12.987 -9.141 1.00 0.00 C ATOM 922 CE LYS A 62 -0.642 12.407 -10.471 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.213 13.453 -11.364 1.00 0.00 N ATOM 0 H LYS A 62 -2.825 14.293 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.197 11.560 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.627 14.146 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.082 12.561 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.037 12.297 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.882 14.042 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.271 13.965 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.589 12.347 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.200 11.925 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.390 11.635 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.515 13.018 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.032 13.895 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.491 14.177 -11.556 1.00 0.00 H new ATOM 937 N ILE A 63 -1.253 11.078 -3.886 1.00 0.00 N ATOM 938 CA ILE A 63 -0.652 10.739 -2.602 1.00 0.00 C ATOM 939 C ILE A 63 0.181 9.466 -2.704 1.00 0.00 C ATOM 940 O ILE A 63 -0.359 8.365 -2.817 1.00 0.00 O ATOM 941 CB ILE A 63 -1.722 10.553 -1.511 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.826 11.602 -1.664 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.091 10.638 -0.130 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.420 12.979 -1.187 1.00 0.00 C ATOM 0 H ILE A 63 -1.717 10.299 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.006 11.572 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.168 9.565 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.118 11.661 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.705 11.277 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.860 10.505 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.338 9.857 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.622 11.614 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.250 13.671 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.156 12.935 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.560 13.324 -1.761 1.00 0.00 H new ATOM 956 N HIS A 64 1.500 9.624 -2.661 1.00 0.00 N ATOM 957 CA HIS A 64 2.409 8.486 -2.746 1.00 0.00 C ATOM 958 C HIS A 64 2.359 7.654 -1.468 1.00 0.00 C ATOM 959 O HIS A 64 2.566 8.171 -0.370 1.00 0.00 O ATOM 960 CB HIS A 64 3.839 8.966 -3.000 1.00 0.00 C ATOM 961 CG HIS A 64 3.974 9.825 -4.219 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.786 9.497 -5.284 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.394 11.005 -4.540 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.701 10.439 -6.207 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.862 11.366 -5.780 1.00 0.00 N ATOM 0 H HIS A 64 1.963 10.528 -2.568 1.00 0.00 H new ATOM 0 HA HIS A 64 2.090 7.860 -3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.186 9.525 -2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.492 8.099 -3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.362 8.658 -5.349 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.693 11.560 -3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.228 10.449 -7.150 1.00 0.00 H new ATOM 973 N VAL A 65 2.081 6.363 -1.619 1.00 0.00 N ATOM 974 CA VAL A 65 2.004 5.459 -0.478 1.00 0.00 C ATOM 975 C VAL A 65 2.633 4.109 -0.802 1.00 0.00 C ATOM 976 O VAL A 65 3.012 3.847 -1.944 1.00 0.00 O ATOM 977 CB VAL A 65 0.546 5.240 -0.033 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.034 6.450 0.734 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.339 4.948 -1.235 1.00 0.00 C ATOM 0 H VAL A 65 1.905 5.920 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 65 2.558 5.928 0.335 1.00 0.00 H new ATOM 0 HB VAL A 65 0.513 4.377 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.998 6.277 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.653 6.610 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.080 7.332 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.366 4.796 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.303 5.790 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.016 4.049 -1.739 1.00 0.00 H new ATOM 989 N PHE A 66 2.740 3.254 0.209 1.00 0.00 N ATOM 990 CA PHE A 66 3.323 1.929 0.032 1.00 0.00 C ATOM 991 C PHE A 66 2.551 0.883 0.831 1.00 0.00 C ATOM 992 O PHE A 66 2.469 0.959 2.057 1.00 0.00 O ATOM 993 CB PHE A 66 4.792 1.934 0.462 1.00 0.00 C ATOM 994 CG PHE A 66 5.327 0.567 0.781 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.198 0.037 2.055 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.961 -0.188 -0.193 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.689 -1.220 2.352 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.454 -1.446 0.098 1.00 0.00 C ATOM 999 CZ PHE A 66 6.319 -1.962 1.372 1.00 0.00 C ATOM 0 H PHE A 66 2.431 3.455 1.160 1.00 0.00 H new ATOM 0 HA PHE A 66 3.261 1.671 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.394 2.375 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.904 2.573 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.708 0.614 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.071 0.211 -1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.580 -1.622 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.944 -2.025 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.705 -2.944 1.602 1.00 0.00 H new ATOM 1009 N TYR A 67 1.986 -0.091 0.127 1.00 0.00 N ATOM 1010 CA TYR A 67 1.218 -1.151 0.769 1.00 0.00 C ATOM 1011 C TYR A 67 2.113 -2.013 1.654 1.00 0.00 C ATOM 1012 O TYR A 67 2.933 -2.788 1.160 1.00 0.00 O ATOM 1013 CB TYR A 67 0.532 -2.023 -0.284 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.547 -1.300 -1.059 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.221 -0.377 -2.045 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.891 -1.541 -0.806 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.204 0.286 -2.755 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.880 -0.884 -1.512 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.532 0.029 -2.485 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.513 0.686 -3.190 1.00 0.00 O ATOM 0 H TYR A 67 2.045 -0.169 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 67 0.458 -0.685 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.283 -2.394 -0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.095 -2.893 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.818 -0.174 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.168 -2.255 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.934 1.002 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.920 -1.084 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.394 0.390 -2.878 1.00 0.00 H new ATOM 1030 N ILE A 68 1.948 -1.873 2.965 1.00 0.00 N ATOM 1031 CA ILE A 68 2.739 -2.640 3.920 1.00 0.00 C ATOM 1032 C ILE A 68 2.166 -4.040 4.110 1.00 0.00 C ATOM 1033 O ILE A 68 2.503 -4.736 5.068 1.00 0.00 O ATOM 1034 CB ILE A 68 2.807 -1.936 5.289 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.505 -2.153 6.063 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.080 -0.450 5.107 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.533 -1.582 7.464 1.00 0.00 C ATOM 0 H ILE A 68 1.274 -1.236 3.390 1.00 0.00 H new ATOM 0 HA ILE A 68 3.745 -2.714 3.508 1.00 0.00 H new ATOM 0 HB ILE A 68 3.626 -2.368 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.683 -1.698 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.299 -3.222 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.125 0.034 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.030 -0.315 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.280 -0.003 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.578 -1.772 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.333 -2.054 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.708 -0.507 7.415 1.00 0.00 H new ATOM 1049 N ASP A 69 1.300 -4.449 3.189 1.00 0.00 N ATOM 1050 CA ASP A 69 0.682 -5.768 3.252 1.00 0.00 C ATOM 1051 C ASP A 69 1.208 -6.668 2.139 1.00 0.00 C ATOM 1052 O ASP A 69 1.311 -7.884 2.307 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.840 -5.647 3.151 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.407 -4.636 4.128 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.267 -4.850 5.350 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.991 -3.631 3.670 1.00 0.00 O ATOM 0 H ASP A 69 1.010 -3.886 2.390 1.00 0.00 H new ATOM 0 HA ASP A 69 0.940 -6.218 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.112 -5.359 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.292 -6.621 3.338 1.00 0.00 H new ATOM 1061 N TYR A 70 1.539 -6.065 1.003 1.00 0.00 N ATOM 1062 CA TYR A 70 2.052 -6.812 -0.139 1.00 0.00 C ATOM 1063 C TYR A 70 3.492 -6.416 -0.447 1.00 0.00 C ATOM 1064 O TYR A 70 4.354 -7.271 -0.648 1.00 0.00 O ATOM 1065 CB TYR A 70 1.172 -6.575 -1.367 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.282 -6.929 -1.148 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.083 -6.170 -0.304 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.854 -8.022 -1.787 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.411 -6.490 -0.101 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.182 -8.349 -1.591 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.956 -7.580 -0.746 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.279 -7.902 -0.548 1.00 0.00 O ATOM 0 H TYR A 70 1.461 -5.060 0.848 1.00 0.00 H new ATOM 0 HA TYR A 70 2.033 -7.872 0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.242 -5.527 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.559 -7.163 -2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.660 -5.315 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.250 -8.626 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.019 -5.890 0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.612 -9.201 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.816 -7.082 -0.527 1.00 0.00 H new ATOM 1082 N GLY A 71 3.746 -5.111 -0.482 1.00 0.00 N ATOM 1083 CA GLY A 71 5.083 -4.623 -0.765 1.00 0.00 C ATOM 1084 C GLY A 71 5.163 -3.888 -2.089 1.00 0.00 C ATOM 1085 O GLY A 71 6.105 -4.079 -2.856 1.00 0.00 O ATOM 0 H GLY A 71 3.050 -4.384 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.401 -3.957 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.778 -5.462 -0.776 1.00 0.00 H new ATOM 1089 N ASN A 72 4.171 -3.046 -2.357 1.00 0.00 N ATOM 1090 CA ASN A 72 4.132 -2.281 -3.598 1.00 0.00 C ATOM 1091 C ASN A 72 3.688 -0.845 -3.338 1.00 0.00 C ATOM 1092 O ASN A 72 3.018 -0.561 -2.345 1.00 0.00 O ATOM 1093 CB ASN A 72 3.186 -2.945 -4.602 1.00 0.00 C ATOM 1094 CG ASN A 72 1.737 -2.564 -4.370 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.188 -2.794 -3.292 1.00 0.00 O ATOM 1096 ND2 ASN A 72 1.110 -1.980 -5.384 1.00 0.00 N ATOM 0 H ASN A 72 3.383 -2.876 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 72 5.139 -2.262 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.476 -2.661 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.290 -4.028 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.133 -1.702 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.605 -1.809 -6.259 1.00 0.00 H new ATOM 1103 N ARG A 73 4.064 0.057 -4.239 1.00 0.00 N ATOM 1104 CA ARG A 73 3.706 1.464 -4.107 1.00 0.00 C ATOM 1105 C ARG A 73 2.674 1.863 -5.158 1.00 0.00 C ATOM 1106 O ARG A 73 2.554 1.219 -6.199 1.00 0.00 O ATOM 1107 CB ARG A 73 4.950 2.344 -4.239 1.00 0.00 C ATOM 1108 CG ARG A 73 6.013 2.058 -3.191 1.00 0.00 C ATOM 1109 CD ARG A 73 6.902 0.895 -3.602 1.00 0.00 C ATOM 1110 NE ARG A 73 7.978 1.318 -4.495 1.00 0.00 N ATOM 1111 CZ ARG A 73 7.893 1.274 -5.820 1.00 0.00 C ATOM 1112 NH1 ARG A 73 6.788 0.829 -6.402 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.914 1.676 -6.565 1.00 0.00 N ATOM 0 H ARG A 73 4.616 -0.162 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 73 3.269 1.610 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.381 2.202 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.654 3.390 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.624 2.948 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.534 1.832 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.330 0.433 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.298 0.134 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 73 8.842 1.666 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.001 0.519 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.725 0.796 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.766 2.019 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.848 1.642 -7.582 1.00 0.00 H new ATOM 1127 N GLU A 74 1.930 2.929 -4.875 1.00 0.00 N ATOM 1128 CA GLU A 74 0.908 3.411 -5.796 1.00 0.00 C ATOM 1129 C GLU A 74 0.493 4.838 -5.448 1.00 0.00 C ATOM 1130 O GLU A 74 0.216 5.151 -4.290 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.314 2.491 -5.764 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.317 2.773 -6.870 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.850 2.271 -8.223 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.960 1.053 -8.474 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.374 3.097 -9.030 1.00 0.00 O ATOM 0 H GLU A 74 2.016 3.474 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 74 1.330 3.408 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.019 1.456 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.811 2.594 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.268 2.303 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.497 3.847 -6.927 1.00 0.00 H new ATOM 1142 N VAL A 75 0.452 5.700 -6.460 1.00 0.00 N ATOM 1143 CA VAL A 75 0.071 7.093 -6.262 1.00 0.00 C ATOM 1144 C VAL A 75 -1.442 7.265 -6.340 1.00 0.00 C ATOM 1145 O VAL A 75 -2.009 7.382 -7.428 1.00 0.00 O ATOM 1146 CB VAL A 75 0.735 8.010 -7.306 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.310 9.455 -7.096 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.249 7.877 -7.245 1.00 0.00 C ATOM 0 H VAL A 75 0.678 5.458 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 75 0.416 7.377 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 75 0.405 7.700 -8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.789 10.088 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.773 9.534 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.608 9.781 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.702 8.532 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.599 8.159 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.532 6.845 -7.450 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.090 7.280 -5.181 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.539 7.438 -5.117 1.00 0.00 C ATOM 1160 C LEU A 76 -3.915 8.724 -4.388 1.00 0.00 C ATOM 1161 O LEU A 76 -3.177 9.222 -3.537 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.173 6.237 -4.414 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.654 4.862 -4.837 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.767 3.872 -3.687 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.413 4.356 -6.055 1.00 0.00 C ATOM 0 H LEU A 76 -1.636 7.185 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.918 7.496 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.019 6.347 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.249 6.266 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.602 4.959 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.393 2.899 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.178 4.228 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.811 3.779 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.030 3.377 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.473 4.275 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.280 5.053 -6.882 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.090 9.275 -4.726 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.592 10.509 -4.113 1.00 0.00 C ATOM 1179 C PRO A 77 -5.992 10.310 -2.655 1.00 0.00 C ATOM 1180 O PRO A 77 -5.967 9.192 -2.141 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.817 10.854 -4.963 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.267 9.550 -5.526 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.020 8.736 -5.732 1.00 0.00 C ATOM 0 HA PRO A 77 -4.835 11.293 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.599 11.316 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.564 11.560 -5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.953 9.047 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.799 9.694 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.205 7.673 -5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.628 8.850 -6.743 1.00 0.00 H new ATOM 1191 N SER A 78 -6.362 11.403 -1.994 1.00 0.00 N ATOM 1192 CA SER A 78 -6.766 11.349 -0.594 1.00 0.00 C ATOM 1193 C SER A 78 -8.146 10.715 -0.450 1.00 0.00 C ATOM 1194 O SER A 78 -8.583 10.392 0.655 1.00 0.00 O ATOM 1195 CB SER A 78 -6.771 12.754 0.012 1.00 0.00 C ATOM 1196 OG SER A 78 -7.532 12.791 1.206 1.00 0.00 O ATOM 0 H SER A 78 -6.390 12.336 -2.406 1.00 0.00 H new ATOM 0 HA SER A 78 -6.045 10.732 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.748 13.068 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.182 13.462 -0.707 1.00 0.00 H new ATOM 0 HG SER A 78 -7.779 11.879 1.465 1.00 0.00 H new ATOM 1202 N THR A 79 -8.830 10.540 -1.576 1.00 0.00 N ATOM 1203 CA THR A 79 -10.162 9.947 -1.578 1.00 0.00 C ATOM 1204 C THR A 79 -10.101 8.459 -1.255 1.00 0.00 C ATOM 1205 O THR A 79 -10.890 7.955 -0.455 1.00 0.00 O ATOM 1206 CB THR A 79 -10.860 10.138 -2.937 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.061 9.571 -3.982 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.102 11.613 -3.220 1.00 0.00 C ATOM 0 H THR A 79 -8.483 10.801 -2.499 1.00 0.00 H new ATOM 0 HA THR A 79 -10.738 10.460 -0.808 1.00 0.00 H new ATOM 0 HB THR A 79 -11.823 9.630 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.513 9.695 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.596 11.722 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.735 12.034 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.149 12.141 -3.239 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.159 7.760 -1.880 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.996 6.329 -1.659 1.00 0.00 C ATOM 1218 C ARG A 80 -8.293 6.060 -0.332 1.00 0.00 C ATOM 1219 O ARG A 80 -8.113 4.908 0.067 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.201 5.701 -2.805 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.382 6.415 -4.135 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.262 5.452 -5.305 1.00 0.00 C ATOM 1223 NE ARG A 80 -9.548 4.853 -5.656 1.00 0.00 N ATOM 1224 CZ ARG A 80 -10.450 5.450 -6.426 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.210 6.655 -6.924 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -11.597 4.841 -6.700 1.00 0.00 N ATOM 0 H ARG A 80 -8.497 8.162 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.988 5.878 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.143 5.700 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.503 4.660 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.358 6.899 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.634 7.202 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.860 5.980 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.552 4.664 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.764 3.926 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.330 7.127 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.905 7.110 -7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.786 3.914 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.290 5.300 -7.292 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.896 7.130 0.349 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.212 7.011 1.632 1.00 0.00 C ATOM 1242 C LEU A 81 -8.169 7.285 2.787 1.00 0.00 C ATOM 1243 O LEU A 81 -9.014 8.177 2.708 1.00 0.00 O ATOM 1244 CB LEU A 81 -6.029 7.979 1.693 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.910 7.736 0.680 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.885 8.859 0.738 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.245 6.391 0.933 1.00 0.00 C ATOM 0 H LEU A 81 -8.036 8.090 0.034 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.843 5.990 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.406 8.992 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.601 7.935 2.694 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.346 7.721 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.096 8.669 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.371 9.807 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.453 8.906 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.451 6.235 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.822 6.377 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.985 5.596 0.840 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.029 6.514 3.861 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.887 6.691 5.018 1.00 0.00 C ATOM 1261 C GLY A 82 -8.166 6.414 6.322 1.00 0.00 C ATOM 1262 O GLY A 82 -7.016 5.973 6.324 1.00 0.00 O ATOM 0 H GLY A 82 -7.337 5.770 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.272 7.711 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.747 6.027 4.934 1.00 0.00 H new ATOM 1266 N THR A 83 -8.841 6.674 7.438 1.00 0.00 N ATOM 1267 CA THR A 83 -8.257 6.452 8.754 1.00 0.00 C ATOM 1268 C THR A 83 -8.177 4.964 9.077 1.00 0.00 C ATOM 1269 O THR A 83 -9.197 4.277 9.139 1.00 0.00 O ATOM 1270 CB THR A 83 -9.067 7.162 9.855 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.567 8.412 9.366 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.210 7.401 11.089 1.00 0.00 C ATOM 0 H THR A 83 -9.793 7.039 7.456 1.00 0.00 H new ATOM 0 HA THR A 83 -7.250 6.869 8.727 1.00 0.00 H new ATOM 0 HB THR A 83 -9.903 6.520 10.132 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.082 8.857 10.071 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.804 7.904 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.855 6.446 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.357 8.025 10.824 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.961 4.473 9.283 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.748 3.065 9.601 1.00 0.00 C ATOM 1282 C LEU A 84 -7.113 2.774 11.053 1.00 0.00 C ATOM 1283 O LEU A 84 -6.446 3.240 11.977 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.291 2.678 9.342 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.841 1.334 9.916 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.675 0.201 9.338 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.362 1.105 9.641 1.00 0.00 C ATOM 0 H LEU A 84 -6.107 5.028 9.236 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.395 2.470 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.126 2.664 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.650 3.458 9.752 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.990 1.353 10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.341 -0.748 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.725 0.358 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.558 0.179 8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.059 0.144 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.188 1.106 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.778 1.901 10.104 1.00 0.00 H new ATOM 1299 N SER A 85 -8.175 1.998 11.247 1.00 0.00 N ATOM 1300 CA SER A 85 -8.630 1.645 12.587 1.00 0.00 C ATOM 1301 C SER A 85 -7.509 0.985 13.384 1.00 0.00 C ATOM 1302 O SER A 85 -6.681 0.249 12.848 1.00 0.00 O ATOM 1303 CB SER A 85 -9.836 0.708 12.508 1.00 0.00 C ATOM 1304 OG SER A 85 -10.217 0.258 13.797 1.00 0.00 O ATOM 0 H SER A 85 -8.736 1.602 10.493 1.00 0.00 H new ATOM 0 HA SER A 85 -8.925 2.562 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.672 1.225 12.038 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.595 -0.148 11.877 1.00 0.00 H new ATOM 0 HG SER A 85 -10.991 -0.338 13.720 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.482 1.253 14.698 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.470 0.694 15.599 1.00 0.00 C ATOM 1312 C PRO A 86 -6.644 -0.806 15.809 1.00 0.00 C ATOM 1313 O PRO A 86 -5.706 -1.501 16.197 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.706 1.449 16.910 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.137 1.863 16.856 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.438 2.121 15.406 1.00 0.00 C ATOM 0 HA PRO A 86 -5.462 0.809 15.200 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.510 0.814 17.774 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.047 2.313 16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.784 1.083 17.256 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.308 2.757 17.455 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.469 1.868 15.159 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.296 3.170 15.147 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.851 -1.298 15.550 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.148 -2.716 15.709 1.00 0.00 C ATOM 1326 C ALA A 87 -7.598 -3.526 14.540 1.00 0.00 C ATOM 1327 O ALA A 87 -7.344 -4.724 14.666 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.648 -2.930 15.842 1.00 0.00 C ATOM 0 H ALA A 87 -8.639 -0.735 15.229 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.661 -3.064 16.620 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.855 -3.994 15.960 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.017 -2.390 16.714 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.149 -2.560 14.947 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.416 -2.865 13.401 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.898 -3.524 12.209 1.00 0.00 C ATOM 1336 C PHE A 88 -5.486 -3.041 11.891 1.00 0.00 C ATOM 1337 O PHE A 88 -4.796 -3.617 11.049 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.819 -3.264 11.015 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.274 -3.466 11.326 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.707 -4.621 11.958 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.210 -2.503 10.985 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.046 -4.810 12.245 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.549 -2.686 11.270 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.968 -3.842 11.900 1.00 0.00 C ATOM 0 H PHE A 88 -7.620 -1.873 13.279 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.862 -4.596 12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.669 -2.242 10.666 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.535 -3.926 10.197 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.990 -5.382 12.229 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.889 -1.598 10.490 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.371 -5.714 12.739 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.268 -1.926 11.001 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.015 -3.988 12.122 1.00 0.00 H new ATOM 1354 N SER A 89 -5.063 -1.979 12.569 1.00 0.00 N ATOM 1355 CA SER A 89 -3.735 -1.415 12.357 1.00 0.00 C ATOM 1356 C SER A 89 -2.660 -2.487 12.503 1.00 0.00 C ATOM 1357 O SER A 89 -2.791 -3.411 13.307 1.00 0.00 O ATOM 1358 CB SER A 89 -3.476 -0.279 13.348 1.00 0.00 C ATOM 1359 OG SER A 89 -4.298 0.841 13.066 1.00 0.00 O ATOM 0 H SER A 89 -5.621 -1.492 13.270 1.00 0.00 H new ATOM 0 HA SER A 89 -3.693 -1.019 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.666 -0.627 14.363 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.427 0.015 13.303 1.00 0.00 H new ATOM 0 HG SER A 89 -5.207 0.537 12.862 1.00 0.00 H new ATOM 1365 N THR A 90 -1.593 -2.358 11.719 1.00 0.00 N ATOM 1366 CA THR A 90 -0.495 -3.315 11.759 1.00 0.00 C ATOM 1367 C THR A 90 -0.004 -3.530 13.186 1.00 0.00 C ATOM 1368 O THR A 90 0.693 -4.503 13.473 1.00 0.00 O ATOM 1369 CB THR A 90 0.687 -2.850 10.887 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.698 -3.864 10.851 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.278 -1.555 11.422 1.00 0.00 C ATOM 0 H THR A 90 -1.467 -1.599 11.049 1.00 0.00 H new ATOM 0 HA THR A 90 -0.881 -4.255 11.365 1.00 0.00 H new ATOM 0 HB THR A 90 0.317 -2.671 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.512 -4.536 11.540 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.111 -1.247 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.514 -0.778 11.420 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.634 -1.711 12.440 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.374 -2.616 14.078 1.00 0.00 N ATOM 1380 CA ARG A 91 0.030 -2.706 15.476 1.00 0.00 C ATOM 1381 C ARG A 91 -0.236 -4.102 16.030 1.00 0.00 C ATOM 1382 O ARG A 91 0.444 -4.557 16.950 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.715 -1.664 16.312 1.00 0.00 C ATOM 1384 CG ARG A 91 0.010 -0.332 16.413 1.00 0.00 C ATOM 1385 CD ARG A 91 0.941 -0.295 17.615 1.00 0.00 C ATOM 1386 NE ARG A 91 1.106 1.059 18.138 1.00 0.00 N ATOM 1387 CZ ARG A 91 1.632 1.328 19.328 1.00 0.00 C ATOM 1388 NH1 ARG A 91 2.042 0.342 20.113 1.00 0.00 N ATOM 1389 NH2 ARG A 91 1.748 2.586 19.734 1.00 0.00 N ATOM 0 H ARG A 91 -0.952 -1.805 13.857 1.00 0.00 H new ATOM 0 HA ARG A 91 1.101 -2.509 15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.701 -1.499 15.877 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.871 -2.060 17.315 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.583 -0.158 15.502 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.718 0.475 16.490 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.546 -0.941 18.399 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.914 -0.695 17.332 1.00 0.00 H new ATOM 0 HE ARG A 91 0.801 1.840 17.558 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.954 -0.626 19.804 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.445 0.551 21.026 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.433 3.347 19.132 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.152 2.792 20.648 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.231 -4.778 15.464 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.587 -6.123 15.901 1.00 0.00 C ATOM 1405 C VAL A 92 -0.927 -7.179 15.021 1.00 0.00 C ATOM 1406 O VAL A 92 -0.479 -8.218 15.509 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.113 -6.334 15.880 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.487 -7.599 16.638 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.826 -5.123 16.462 1.00 0.00 C ATOM 0 H VAL A 92 -1.805 -4.416 14.702 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.227 -6.230 16.924 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.432 -6.452 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.569 -7.732 16.613 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.005 -8.458 16.172 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.156 -7.514 17.673 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.903 -5.289 16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.504 -4.971 17.492 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.583 -4.239 15.872 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.870 -6.907 13.722 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.264 -7.834 12.772 1.00 0.00 C ATOM 1421 C LEU A 93 0.915 -7.184 12.054 1.00 0.00 C ATOM 1422 O LEU A 93 0.858 -6.027 11.638 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.303 -8.302 11.752 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.966 -9.585 10.992 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.984 -10.782 11.930 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.940 -9.794 9.841 1.00 0.00 C ATOM 0 H LEU A 93 -1.236 -6.052 13.302 1.00 0.00 H new ATOM 0 HA LEU A 93 0.104 -8.697 13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.251 -8.448 12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.456 -7.503 11.026 1.00 0.00 H new ATOM 0 HG LEU A 93 0.038 -9.487 10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.742 -11.686 11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.248 -10.636 12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.975 -10.883 12.372 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.685 -10.712 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.955 -9.870 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.879 -8.950 9.155 1.00 0.00 H new ATOM 1438 N PRO A 94 2.008 -7.945 11.902 1.00 0.00 N ATOM 1439 CA PRO A 94 3.220 -7.465 11.231 1.00 0.00 C ATOM 1440 C PRO A 94 3.018 -7.283 9.731 1.00 0.00 C ATOM 1441 O PRO A 94 2.332 -8.076 9.087 1.00 0.00 O ATOM 1442 CB PRO A 94 4.239 -8.575 11.503 1.00 0.00 C ATOM 1443 CG PRO A 94 3.418 -9.799 11.720 1.00 0.00 C ATOM 1444 CD PRO A 94 2.146 -9.334 12.373 1.00 0.00 C ATOM 0 HA PRO A 94 3.528 -6.486 11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.922 -8.700 10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.849 -8.347 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.210 -10.302 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.943 -10.514 12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.295 -9.946 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.210 -9.385 13.460 1.00 0.00 H new ATOM 1452 N ALA A 95 3.622 -6.235 9.180 1.00 0.00 N ATOM 1453 CA ALA A 95 3.510 -5.951 7.755 1.00 0.00 C ATOM 1454 C ALA A 95 4.069 -7.099 6.921 1.00 0.00 C ATOM 1455 O ALA A 95 5.265 -7.385 6.966 1.00 0.00 O ATOM 1456 CB ALA A 95 4.228 -4.653 7.417 1.00 0.00 C ATOM 0 H ALA A 95 4.194 -5.569 9.699 1.00 0.00 H new ATOM 0 HA ALA A 95 2.453 -5.842 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.136 -4.454 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.781 -3.833 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.282 -4.741 7.680 1.00 0.00 H new ATOM 1462 N GLN A 96 3.196 -7.753 6.161 1.00 0.00 N ATOM 1463 CA GLN A 96 3.604 -8.871 5.319 1.00 0.00 C ATOM 1464 C GLN A 96 4.216 -8.373 4.013 1.00 0.00 C ATOM 1465 O GLN A 96 4.600 -9.167 3.154 1.00 0.00 O ATOM 1466 CB GLN A 96 2.408 -9.777 5.022 1.00 0.00 C ATOM 1467 CG GLN A 96 1.693 -10.269 6.271 1.00 0.00 C ATOM 1468 CD GLN A 96 2.580 -11.128 7.150 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.268 -12.028 6.668 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.569 -10.854 8.450 1.00 0.00 N ATOM 0 H GLN A 96 2.202 -7.528 6.111 1.00 0.00 H new ATOM 0 HA GLN A 96 4.359 -9.443 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.698 -9.235 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.748 -10.637 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.340 -9.412 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.813 -10.842 5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.984 -10.099 8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.146 -11.399 9.091 1.00 0.00 H new ATOM 1479 N ALA A 97 4.304 -7.055 3.871 1.00 0.00 N ATOM 1480 CA ALA A 97 4.870 -6.452 2.671 1.00 0.00 C ATOM 1481 C ALA A 97 6.316 -6.891 2.466 1.00 0.00 C ATOM 1482 O ALA A 97 7.053 -7.109 3.429 1.00 0.00 O ATOM 1483 CB ALA A 97 4.784 -4.935 2.752 1.00 0.00 C ATOM 0 H ALA A 97 3.990 -6.384 4.572 1.00 0.00 H new ATOM 0 HA ALA A 97 4.289 -6.793 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.210 -4.498 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.740 -4.634 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.340 -4.585 3.622 1.00 0.00 H new