USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 65:sc= 0.28 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 24:sc= 0.0171 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -96:sc= 1.28 USER MOD Single : A 30 SER OG : rot 50:sc= 1.29 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 0.321 (180deg=0.108) USER MOD Single : A 49 SER OG : rot 28:sc= 0.031 USER MOD Single : A 56 SER OG : rot -143:sc= 1.23 USER MOD Single : A 58 SER OG : rot 76:sc= 1.03 USER MOD Single : A 59 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.055) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 169:sc= 0 (180deg=-0.138) USER MOD Single : A 64 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 70 MET CE :methyl 170:sc= 0 (180deg=-0.316) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.829 K(o=0.83,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.446 -0.713 -10.918 1.00 0.00 N ATOM 101 CA TYR A 9 7.724 -1.155 -9.542 1.00 0.00 C ATOM 102 C TYR A 9 6.765 -0.477 -8.548 1.00 0.00 C ATOM 103 O TYR A 9 7.098 0.474 -7.832 1.00 0.00 O ATOM 104 CB TYR A 9 9.226 -1.024 -9.202 1.00 0.00 C ATOM 105 CG TYR A 9 9.987 0.101 -9.882 1.00 0.00 C ATOM 106 CD1 TYR A 9 9.996 1.394 -9.330 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.691 -0.153 -11.073 1.00 0.00 C ATOM 108 CE1 TYR A 9 10.674 2.444 -9.985 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.396 0.882 -11.710 1.00 0.00 C ATOM 110 CZ TYR A 9 11.365 2.192 -11.189 1.00 0.00 C ATOM 111 OH TYR A 9 11.934 3.208 -11.891 1.00 0.00 O ATOM 0 HA TYR A 9 7.518 -2.222 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.320 -0.894 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.715 -1.965 -9.454 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.481 1.585 -8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.690 -1.146 -11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.664 3.439 -9.565 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.965 0.673 -12.604 1.00 0.00 H new ATOM 0 HH TYR A 9 12.368 2.849 -12.693 1.00 0.00 H new ATOM 121 N ARG A 10 5.550 -1.038 -8.502 1.00 0.00 N ATOM 122 CA ARG A 10 4.458 -0.701 -7.578 1.00 0.00 C ATOM 123 C ARG A 10 3.727 -1.958 -7.114 1.00 0.00 C ATOM 124 O ARG A 10 3.691 -2.956 -7.835 1.00 0.00 O ATOM 125 CB ARG A 10 3.492 0.316 -8.216 1.00 0.00 C ATOM 126 CG ARG A 10 2.837 -0.129 -9.542 1.00 0.00 C ATOM 127 CD ARG A 10 1.769 0.869 -10.025 1.00 0.00 C ATOM 128 NE ARG A 10 2.331 2.225 -10.157 1.00 0.00 N ATOM 129 CZ ARG A 10 1.802 3.369 -9.773 1.00 0.00 C ATOM 130 NH1 ARG A 10 0.552 3.504 -9.446 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.569 4.412 -9.696 1.00 0.00 N ATOM 0 H ARG A 10 5.287 -1.783 -9.147 1.00 0.00 H new ATOM 0 HA ARG A 10 4.892 -0.231 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.703 0.540 -7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.035 1.244 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.606 -0.235 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.382 -1.110 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.370 0.543 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.936 0.884 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 10 3.247 2.286 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.074 2.699 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.196 4.415 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.559 4.336 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.182 5.309 -9.401 1.00 0.00 H new ATOM 145 N CYS A 11 3.118 -1.906 -5.933 1.00 0.00 N ATOM 146 CA CYS A 11 2.334 -3.012 -5.384 1.00 0.00 C ATOM 147 C CYS A 11 0.987 -2.537 -4.814 1.00 0.00 C ATOM 148 O CYS A 11 0.816 -1.371 -4.447 1.00 0.00 O ATOM 149 CB CYS A 11 3.213 -3.835 -4.414 1.00 0.00 C ATOM 150 SG CYS A 11 3.081 -3.321 -2.675 1.00 0.00 S ATOM 0 H CYS A 11 3.154 -1.089 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 11 2.041 -3.695 -6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.936 -4.886 -4.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.254 -3.755 -4.727 1.00 0.00 H new ATOM 0 HG CYS A 11 1.873 -3.541 -2.248 1.00 0.00 H new ATOM 156 N PHE A 12 0.019 -3.447 -4.758 1.00 0.00 N ATOM 157 CA PHE A 12 -1.236 -3.276 -4.029 1.00 0.00 C ATOM 158 C PHE A 12 -1.006 -3.410 -2.518 1.00 0.00 C ATOM 159 O PHE A 12 -0.110 -4.143 -2.087 1.00 0.00 O ATOM 160 CB PHE A 12 -2.227 -4.323 -4.544 1.00 0.00 C ATOM 161 CG PHE A 12 -3.626 -4.258 -3.961 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.503 -3.224 -4.341 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.073 -5.259 -3.077 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.820 -3.200 -3.852 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.390 -5.233 -2.584 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.267 -4.206 -2.978 1.00 0.00 C ATOM 0 H PHE A 12 0.087 -4.348 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.642 -2.278 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.301 -4.223 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.817 -5.313 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.163 -2.447 -5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.402 -6.050 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.490 -2.407 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.728 -6.001 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.282 -4.191 -2.610 1.00 0.00 H new ATOM 176 N VAL A 13 -1.820 -2.710 -1.723 1.00 0.00 N ATOM 177 CA VAL A 13 -1.747 -2.669 -0.258 1.00 0.00 C ATOM 178 C VAL A 13 -3.169 -2.739 0.300 1.00 0.00 C ATOM 179 O VAL A 13 -3.902 -1.751 0.245 1.00 0.00 O ATOM 180 CB VAL A 13 -1.035 -1.377 0.216 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.932 -1.317 1.744 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.397 -1.256 -0.320 1.00 0.00 C ATOM 0 H VAL A 13 -2.576 -2.135 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.167 -3.517 0.107 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.649 -0.564 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.427 -0.397 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.932 -1.337 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.364 -2.174 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.845 -0.332 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.987 -2.106 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.378 -1.244 -1.410 1.00 0.00 H new ATOM 192 N GLY A 14 -3.570 -3.897 0.835 1.00 0.00 N ATOM 193 CA GLY A 14 -4.854 -4.051 1.534 1.00 0.00 C ATOM 194 C GLY A 14 -4.667 -4.181 3.043 1.00 0.00 C ATOM 195 O GLY A 14 -4.016 -5.128 3.493 1.00 0.00 O ATOM 0 H GLY A 14 -3.017 -4.753 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.490 -3.192 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.371 -4.933 1.155 1.00 0.00 H new ATOM 199 N SER A 15 -5.259 -3.261 3.815 1.00 0.00 N ATOM 200 CA SER A 15 -5.181 -3.205 5.294 1.00 0.00 C ATOM 201 C SER A 15 -6.003 -2.081 5.946 1.00 0.00 C ATOM 202 O SER A 15 -6.271 -2.150 7.144 1.00 0.00 O ATOM 203 CB SER A 15 -3.729 -2.978 5.758 1.00 0.00 C ATOM 204 OG SER A 15 -3.144 -1.866 5.101 1.00 0.00 O ATOM 0 H SER A 15 -5.825 -2.508 3.423 1.00 0.00 H new ATOM 0 HA SER A 15 -5.587 -4.167 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.711 -2.817 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.138 -3.872 5.560 1.00 0.00 H new ATOM 0 HG SER A 15 -2.224 -1.746 5.417 1.00 0.00 H new ATOM 210 N LEU A 16 -6.386 -1.030 5.211 1.00 0.00 N ATOM 211 CA LEU A 16 -6.859 0.244 5.773 1.00 0.00 C ATOM 212 C LEU A 16 -8.306 0.193 6.301 1.00 0.00 C ATOM 213 O LEU A 16 -9.092 -0.715 6.011 1.00 0.00 O ATOM 214 CB LEU A 16 -6.689 1.389 4.747 1.00 0.00 C ATOM 215 CG LEU A 16 -5.356 1.447 3.988 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.402 2.687 3.107 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.125 1.540 4.881 1.00 0.00 C ATOM 0 H LEU A 16 -6.376 -1.040 4.191 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.232 0.441 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.493 1.311 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.824 2.336 5.270 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.255 0.516 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.471 2.770 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.238 2.609 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.530 3.572 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.228 1.576 4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.183 2.443 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.081 0.667 5.532 1.00 0.00 H new ATOM 229 N SER A 17 -8.648 1.225 7.062 1.00 0.00 N ATOM 230 CA SER A 17 -9.963 1.504 7.659 1.00 0.00 C ATOM 231 C SER A 17 -10.179 3.025 7.720 1.00 0.00 C ATOM 232 O SER A 17 -9.266 3.784 7.385 1.00 0.00 O ATOM 233 CB SER A 17 -10.053 0.887 9.063 1.00 0.00 C ATOM 234 OG SER A 17 -10.331 -0.501 9.001 1.00 0.00 O ATOM 0 H SER A 17 -7.968 1.947 7.300 1.00 0.00 H new ATOM 0 HA SER A 17 -10.744 1.057 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.115 1.048 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.833 1.391 9.634 1.00 0.00 H new ATOM 0 HG SER A 17 -10.038 -0.855 8.135 1.00 0.00 H new ATOM 240 N TRP A 18 -11.370 3.492 8.112 1.00 0.00 N ATOM 241 CA TRP A 18 -11.762 4.908 8.011 1.00 0.00 C ATOM 242 C TRP A 18 -10.823 5.910 8.714 1.00 0.00 C ATOM 243 O TRP A 18 -10.770 7.069 8.287 1.00 0.00 O ATOM 244 CB TRP A 18 -13.214 5.080 8.489 1.00 0.00 C ATOM 245 CG TRP A 18 -13.493 4.869 9.951 1.00 0.00 C ATOM 246 CD1 TRP A 18 -14.039 3.751 10.481 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.294 5.785 11.078 1.00 0.00 C ATOM 248 NE1 TRP A 18 -14.197 3.906 11.843 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.757 5.140 12.266 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.790 7.099 11.222 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.726 5.762 13.523 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.741 7.725 12.485 1.00 0.00 C ATOM 253 CH2 TRP A 18 -13.210 7.062 13.630 1.00 0.00 C ATOM 0 H TRP A 18 -12.096 2.897 8.511 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.675 5.161 6.954 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.537 6.087 8.227 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.838 4.388 7.924 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -14.311 2.868 9.921 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.591 3.195 12.459 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.437 7.631 10.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.095 5.246 14.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.339 8.724 12.572 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.174 7.552 14.592 1.00 0.00 H new ATOM 264 N ASN A 19 -10.061 5.504 9.740 1.00 0.00 N ATOM 265 CA ASN A 19 -9.074 6.358 10.417 1.00 0.00 C ATOM 266 C ASN A 19 -7.656 6.292 9.800 1.00 0.00 C ATOM 267 O ASN A 19 -6.917 7.273 9.904 1.00 0.00 O ATOM 268 CB ASN A 19 -9.078 6.025 11.920 1.00 0.00 C ATOM 269 CG ASN A 19 -8.405 7.093 12.767 1.00 0.00 C ATOM 270 OD1 ASN A 19 -9.018 8.086 13.145 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.139 6.946 13.078 1.00 0.00 N ATOM 0 H ASN A 19 -10.113 4.562 10.128 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.373 7.396 10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.107 5.898 12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.572 5.072 12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.665 7.657 13.634 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.629 6.120 12.764 1.00 0.00 H new ATOM 278 N THR A 20 -7.277 5.198 9.127 1.00 0.00 N ATOM 279 CA THR A 20 -6.013 5.087 8.365 1.00 0.00 C ATOM 280 C THR A 20 -6.111 5.836 7.034 1.00 0.00 C ATOM 281 O THR A 20 -7.206 5.999 6.493 1.00 0.00 O ATOM 282 CB THR A 20 -5.612 3.628 8.045 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.209 2.677 8.901 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.094 3.433 8.118 1.00 0.00 C ATOM 0 H THR A 20 -7.843 4.350 9.092 1.00 0.00 H new ATOM 0 HA THR A 20 -5.253 5.524 9.013 1.00 0.00 H new ATOM 0 HB THR A 20 -5.975 3.460 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.591 2.459 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.849 2.396 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.608 4.090 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.744 3.674 9.122 1.00 0.00 H new ATOM 292 N ASP A 21 -4.982 6.269 6.467 1.00 0.00 N ATOM 293 CA ASP A 21 -4.918 6.759 5.084 1.00 0.00 C ATOM 294 C ASP A 21 -3.534 6.514 4.426 1.00 0.00 C ATOM 295 O ASP A 21 -2.710 5.773 4.968 1.00 0.00 O ATOM 296 CB ASP A 21 -5.340 8.246 5.057 1.00 0.00 C ATOM 297 CG ASP A 21 -4.442 9.145 5.908 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.215 9.186 5.658 1.00 0.00 O ATOM 299 OD2 ASP A 21 -4.939 9.810 6.842 1.00 0.00 O ATOM 0 H ASP A 21 -4.085 6.291 6.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.618 6.187 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.327 8.602 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.368 8.331 5.410 1.00 0.00 H new ATOM 304 N ASP A 22 -3.270 7.131 3.260 1.00 0.00 N ATOM 305 CA ASP A 22 -1.999 6.997 2.518 1.00 0.00 C ATOM 306 C ASP A 22 -0.740 7.271 3.358 1.00 0.00 C ATOM 307 O ASP A 22 0.305 6.664 3.124 1.00 0.00 O ATOM 308 CB ASP A 22 -1.951 7.911 1.270 1.00 0.00 C ATOM 309 CG ASP A 22 -2.388 9.370 1.476 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.795 10.091 2.311 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.320 9.822 0.774 1.00 0.00 O ATOM 0 H ASP A 22 -3.941 7.745 2.799 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.986 5.948 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.931 7.911 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.583 7.470 0.499 1.00 0.00 H new ATOM 316 N ARG A 23 -0.811 8.163 4.349 1.00 0.00 N ATOM 317 CA ARG A 23 0.358 8.574 5.138 1.00 0.00 C ATOM 318 C ARG A 23 0.838 7.474 6.083 1.00 0.00 C ATOM 319 O ARG A 23 2.033 7.390 6.374 1.00 0.00 O ATOM 320 CB ARG A 23 0.005 9.864 5.886 1.00 0.00 C ATOM 321 CG ARG A 23 1.253 10.686 6.217 1.00 0.00 C ATOM 322 CD ARG A 23 0.825 11.905 7.029 1.00 0.00 C ATOM 323 NE ARG A 23 1.908 12.887 7.130 1.00 0.00 N ATOM 324 CZ ARG A 23 1.783 14.120 7.568 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.676 14.573 8.090 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.799 14.915 7.464 1.00 0.00 N ATOM 0 H ARG A 23 -1.678 8.621 4.629 1.00 0.00 H new ATOM 0 HA ARG A 23 1.197 8.760 4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.674 10.462 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.523 9.618 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.965 10.084 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.756 10.998 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.045 12.367 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.522 11.591 8.028 1.00 0.00 H new ATOM 0 HE ARG A 23 2.838 12.588 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.137 13.962 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.624 15.538 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.669 14.579 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.730 15.877 7.796 1.00 0.00 H new ATOM 340 N GLY A 24 -0.073 6.618 6.546 1.00 0.00 N ATOM 341 CA GLY A 24 0.221 5.529 7.475 1.00 0.00 C ATOM 342 C GLY A 24 0.863 4.318 6.806 1.00 0.00 C ATOM 343 O GLY A 24 1.714 3.684 7.432 1.00 0.00 O ATOM 0 H GLY A 24 -1.056 6.664 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.885 5.898 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.703 5.218 7.963 1.00 0.00 H new ATOM 347 N LEU A 25 0.538 4.047 5.532 1.00 0.00 N ATOM 348 CA LEU A 25 1.334 3.121 4.713 1.00 0.00 C ATOM 349 C LEU A 25 2.632 3.783 4.217 1.00 0.00 C ATOM 350 O LEU A 25 3.682 3.156 4.311 1.00 0.00 O ATOM 351 CB LEU A 25 0.483 2.419 3.626 1.00 0.00 C ATOM 352 CG LEU A 25 0.119 3.233 2.367 1.00 0.00 C ATOM 353 CD1 LEU A 25 1.162 3.057 1.259 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.230 2.788 1.800 1.00 0.00 C ATOM 0 H LEU A 25 -0.264 4.453 5.050 1.00 0.00 H new ATOM 0 HA LEU A 25 1.669 2.299 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.019 1.526 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.445 2.085 4.090 1.00 0.00 H new ATOM 0 HG LEU A 25 0.080 4.277 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.871 3.645 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.134 3.395 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.224 2.005 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.464 3.377 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.182 1.732 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.007 2.937 2.550 1.00 0.00 H new ATOM 366 N GLU A 26 2.620 5.056 3.793 1.00 0.00 N ATOM 367 CA GLU A 26 3.846 5.733 3.338 1.00 0.00 C ATOM 368 C GLU A 26 4.922 5.749 4.435 1.00 0.00 C ATOM 369 O GLU A 26 6.061 5.358 4.173 1.00 0.00 O ATOM 370 CB GLU A 26 3.561 7.163 2.825 1.00 0.00 C ATOM 371 CG GLU A 26 4.806 7.749 2.129 1.00 0.00 C ATOM 372 CD GLU A 26 4.662 9.210 1.679 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.700 9.563 0.958 1.00 0.00 O ATOM 374 OE2 GLU A 26 5.565 10.017 2.016 1.00 0.00 O ATOM 0 H GLU A 26 1.781 5.635 3.755 1.00 0.00 H new ATOM 0 HA GLU A 26 4.231 5.155 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.723 7.145 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.269 7.802 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.654 7.675 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.041 7.136 1.258 1.00 0.00 H new ATOM 381 N ALA A 27 4.585 6.133 5.671 1.00 0.00 N ATOM 382 CA ALA A 27 5.567 6.220 6.754 1.00 0.00 C ATOM 383 C ALA A 27 6.133 4.842 7.153 1.00 0.00 C ATOM 384 O ALA A 27 7.346 4.712 7.341 1.00 0.00 O ATOM 385 CB ALA A 27 4.922 6.954 7.936 1.00 0.00 C ATOM 0 H ALA A 27 3.637 6.389 5.945 1.00 0.00 H new ATOM 0 HA ALA A 27 6.432 6.786 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.639 7.028 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.623 7.954 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.045 6.401 8.272 1.00 0.00 H new ATOM 391 N ALA A 28 5.284 3.806 7.184 1.00 0.00 N ATOM 392 CA ALA A 28 5.670 2.430 7.508 1.00 0.00 C ATOM 393 C ALA A 28 6.494 1.739 6.398 1.00 0.00 C ATOM 394 O ALA A 28 7.284 0.841 6.695 1.00 0.00 O ATOM 395 CB ALA A 28 4.388 1.649 7.824 1.00 0.00 C ATOM 0 H ALA A 28 4.290 3.905 6.980 1.00 0.00 H new ATOM 0 HA ALA A 28 6.336 2.450 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.641 0.618 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.881 2.110 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.730 1.664 6.955 1.00 0.00 H new ATOM 401 N PHE A 29 6.337 2.150 5.134 1.00 0.00 N ATOM 402 CA PHE A 29 7.128 1.656 3.997 1.00 0.00 C ATOM 403 C PHE A 29 8.419 2.462 3.771 1.00 0.00 C ATOM 404 O PHE A 29 9.399 1.915 3.257 1.00 0.00 O ATOM 405 CB PHE A 29 6.264 1.654 2.720 1.00 0.00 C ATOM 406 CG PHE A 29 5.295 0.487 2.538 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.297 0.195 3.491 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.365 -0.294 1.367 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.380 -0.847 3.268 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.470 -1.359 1.159 1.00 0.00 C ATOM 411 CZ PHE A 29 3.465 -1.624 2.102 1.00 0.00 C ATOM 0 H PHE A 29 5.644 2.849 4.866 1.00 0.00 H new ATOM 0 HA PHE A 29 7.435 0.638 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.687 2.579 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.932 1.676 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.237 0.776 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.114 -0.072 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.608 -1.050 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.556 -1.972 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.759 -2.423 1.931 1.00 0.00 H new ATOM 421 N SER A 30 8.466 3.731 4.195 1.00 0.00 N ATOM 422 CA SER A 30 9.592 4.642 3.927 1.00 0.00 C ATOM 423 C SER A 30 10.945 4.160 4.483 1.00 0.00 C ATOM 424 O SER A 30 11.989 4.603 4.005 1.00 0.00 O ATOM 425 CB SER A 30 9.295 6.052 4.456 1.00 0.00 C ATOM 426 OG SER A 30 8.267 6.669 3.700 1.00 0.00 O ATOM 0 H SER A 30 7.718 4.161 4.739 1.00 0.00 H new ATOM 0 HA SER A 30 9.689 4.658 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.999 5.997 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.199 6.659 4.412 1.00 0.00 H new ATOM 0 HG SER A 30 7.501 6.061 3.632 1.00 0.00 H new ATOM 432 N SER A 31 10.968 3.238 5.455 1.00 0.00 N ATOM 433 CA SER A 31 12.226 2.668 5.980 1.00 0.00 C ATOM 434 C SER A 31 12.921 1.704 5.003 1.00 0.00 C ATOM 435 O SER A 31 14.134 1.511 5.088 1.00 0.00 O ATOM 436 CB SER A 31 11.988 1.956 7.316 1.00 0.00 C ATOM 437 OG SER A 31 11.410 2.828 8.270 1.00 0.00 O ATOM 0 H SER A 31 10.128 2.867 5.898 1.00 0.00 H new ATOM 0 HA SER A 31 12.894 3.517 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.334 1.098 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.933 1.571 7.698 1.00 0.00 H new ATOM 0 HG SER A 31 11.268 2.345 9.111 1.00 0.00 H new ATOM 443 N PHE A 32 12.186 1.123 4.048 1.00 0.00 N ATOM 444 CA PHE A 32 12.748 0.253 3.006 1.00 0.00 C ATOM 445 C PHE A 32 13.291 1.055 1.814 1.00 0.00 C ATOM 446 O PHE A 32 14.279 0.652 1.191 1.00 0.00 O ATOM 447 CB PHE A 32 11.683 -0.757 2.554 1.00 0.00 C ATOM 448 CG PHE A 32 11.248 -1.719 3.645 1.00 0.00 C ATOM 449 CD1 PHE A 32 11.939 -2.930 3.829 1.00 0.00 C ATOM 450 CD2 PHE A 32 10.165 -1.401 4.489 1.00 0.00 C ATOM 451 CE1 PHE A 32 11.547 -3.820 4.845 1.00 0.00 C ATOM 452 CE2 PHE A 32 9.780 -2.285 5.512 1.00 0.00 C ATOM 453 CZ PHE A 32 10.469 -3.498 5.688 1.00 0.00 C ATOM 0 H PHE A 32 11.176 1.244 3.975 1.00 0.00 H new ATOM 0 HA PHE A 32 13.597 -0.283 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.810 -0.213 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.073 -1.329 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.773 -3.177 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.629 -0.474 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.075 -4.753 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.956 -2.033 6.162 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.171 -4.181 6.469 1.00 0.00 H new ATOM 463 N GLY A 33 12.681 2.206 1.515 1.00 0.00 N ATOM 464 CA GLY A 33 13.139 3.121 0.473 1.00 0.00 C ATOM 465 C GLY A 33 12.255 4.350 0.283 1.00 0.00 C ATOM 466 O GLY A 33 11.380 4.661 1.088 1.00 0.00 O ATOM 0 H GLY A 33 11.843 2.530 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.150 3.449 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.195 2.579 -0.471 1.00 0.00 H new ATOM 470 N GLU A 34 12.524 5.077 -0.793 1.00 0.00 N ATOM 471 CA GLU A 34 11.936 6.374 -1.116 1.00 0.00 C ATOM 472 C GLU A 34 10.730 6.210 -2.052 1.00 0.00 C ATOM 473 O GLU A 34 10.815 5.511 -3.071 1.00 0.00 O ATOM 474 CB GLU A 34 13.022 7.297 -1.692 1.00 0.00 C ATOM 475 CG GLU A 34 14.005 7.841 -0.636 1.00 0.00 C ATOM 476 CD GLU A 34 14.709 6.771 0.214 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.536 5.996 -0.331 1.00 0.00 O ATOM 478 OE2 GLU A 34 14.428 6.714 1.440 1.00 0.00 O ATOM 0 H GLU A 34 13.190 4.765 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 34 11.552 6.843 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.584 6.751 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.542 8.137 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.764 8.438 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.463 8.513 0.030 1.00 0.00 H new ATOM 485 N ILE A 35 9.606 6.825 -1.677 1.00 0.00 N ATOM 486 CA ILE A 35 8.269 6.564 -2.230 1.00 0.00 C ATOM 487 C ILE A 35 7.853 7.625 -3.247 1.00 0.00 C ATOM 488 O ILE A 35 8.007 8.827 -3.010 1.00 0.00 O ATOM 489 CB ILE A 35 7.240 6.432 -1.078 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.501 5.179 -0.209 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.783 6.420 -1.583 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.478 3.855 -0.987 1.00 0.00 C ATOM 0 H ILE A 35 9.598 7.545 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 35 8.301 5.620 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 35 7.376 7.320 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.471 5.284 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.751 5.136 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.105 6.326 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.574 7.349 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.639 5.577 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.670 3.028 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.501 3.723 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.247 3.873 -1.759 1.00 0.00 H new ATOM 504 N LEU A 36 7.260 7.175 -4.355 1.00 0.00 N ATOM 505 CA LEU A 36 6.741 8.026 -5.430 1.00 0.00 C ATOM 506 C LEU A 36 5.200 8.019 -5.511 1.00 0.00 C ATOM 507 O LEU A 36 4.633 8.927 -6.118 1.00 0.00 O ATOM 508 CB LEU A 36 7.424 7.635 -6.758 1.00 0.00 C ATOM 509 CG LEU A 36 8.966 7.726 -6.751 1.00 0.00 C ATOM 510 CD1 LEU A 36 9.533 7.286 -8.100 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.471 9.145 -6.482 1.00 0.00 C ATOM 0 H LEU A 36 7.123 6.180 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 36 6.991 9.063 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.137 6.614 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.041 8.279 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 36 9.302 7.070 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.621 7.356 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.240 6.255 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.144 7.932 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.561 9.151 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.100 9.816 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.112 9.481 -5.509 1.00 0.00 H new ATOM 523 N ASP A 37 4.512 7.073 -4.855 1.00 0.00 N ATOM 524 CA ASP A 37 3.048 7.080 -4.695 1.00 0.00 C ATOM 525 C ASP A 37 2.618 6.351 -3.414 1.00 0.00 C ATOM 526 O ASP A 37 3.159 5.289 -3.101 1.00 0.00 O ATOM 527 CB ASP A 37 2.322 6.382 -5.863 1.00 0.00 C ATOM 528 CG ASP A 37 2.400 7.097 -7.210 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.500 7.935 -7.478 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.268 6.734 -8.039 1.00 0.00 O ATOM 0 H ASP A 37 4.962 6.270 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 37 2.773 8.134 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.737 5.381 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.272 6.263 -5.595 1.00 0.00 H new ATOM 535 N ALA A 38 1.566 6.844 -2.753 1.00 0.00 N ATOM 536 CA ALA A 38 0.775 6.125 -1.766 1.00 0.00 C ATOM 537 C ALA A 38 -0.700 6.502 -1.999 1.00 0.00 C ATOM 538 O ALA A 38 -1.095 7.657 -1.816 1.00 0.00 O ATOM 539 CB ALA A 38 1.280 6.492 -0.365 1.00 0.00 C ATOM 0 H ALA A 38 1.233 7.797 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 38 0.869 5.043 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.694 5.959 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.329 6.212 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.176 7.566 -0.210 1.00 0.00 H new ATOM 545 N LYS A 39 -1.517 5.544 -2.447 1.00 0.00 N ATOM 546 CA LYS A 39 -2.944 5.725 -2.761 1.00 0.00 C ATOM 547 C LYS A 39 -3.811 5.147 -1.649 1.00 0.00 C ATOM 548 O LYS A 39 -3.525 4.069 -1.138 1.00 0.00 O ATOM 549 CB LYS A 39 -3.266 5.112 -4.143 1.00 0.00 C ATOM 550 CG LYS A 39 -4.765 5.016 -4.510 1.00 0.00 C ATOM 551 CD LYS A 39 -5.403 6.405 -4.651 1.00 0.00 C ATOM 552 CE LYS A 39 -6.919 6.318 -4.842 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.539 7.633 -4.574 1.00 0.00 N ATOM 0 H LYS A 39 -1.196 4.589 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.171 6.789 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.763 5.704 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.838 4.110 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.877 4.467 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.292 4.449 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.182 6.998 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.959 6.924 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.148 5.999 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.336 5.567 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.441 7.702 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.712 7.734 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.900 8.389 -4.893 1.00 0.00 H new ATOM 567 N ILE A 40 -4.909 5.836 -1.347 1.00 0.00 N ATOM 568 CA ILE A 40 -6.008 5.363 -0.503 1.00 0.00 C ATOM 569 C ILE A 40 -7.351 5.665 -1.175 1.00 0.00 C ATOM 570 O ILE A 40 -7.548 6.755 -1.717 1.00 0.00 O ATOM 571 CB ILE A 40 -5.899 5.976 0.912 1.00 0.00 C ATOM 572 CG1 ILE A 40 -7.029 5.483 1.842 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.784 7.513 0.898 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.284 6.364 1.940 1.00 0.00 C ATOM 0 H ILE A 40 -5.066 6.781 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.942 4.281 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.959 5.613 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.336 4.492 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.617 5.367 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.711 7.882 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.893 7.806 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.666 7.940 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.998 5.905 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.008 7.351 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.738 6.462 0.954 1.00 0.00 H new ATOM 586 N ILE A 41 -8.290 4.720 -1.121 1.00 0.00 N ATOM 587 CA ILE A 41 -9.685 4.929 -1.539 1.00 0.00 C ATOM 588 C ILE A 41 -10.665 4.867 -0.347 1.00 0.00 C ATOM 589 O ILE A 41 -10.762 3.868 0.376 1.00 0.00 O ATOM 590 CB ILE A 41 -10.048 4.025 -2.745 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.553 4.031 -3.084 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.533 2.586 -2.575 1.00 0.00 C ATOM 593 CD1 ILE A 41 -12.080 5.389 -3.556 1.00 0.00 C ATOM 0 H ILE A 41 -8.106 3.776 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.791 5.949 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.531 4.469 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.743 3.289 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.115 3.721 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.813 1.994 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.447 2.597 -2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.973 2.145 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.145 5.310 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.924 6.132 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.547 5.693 -4.457 1.00 0.00 H new ATOM 715 N SER A 49 -15.625 3.013 2.813 1.00 0.00 N ATOM 716 CA SER A 49 -14.198 2.832 3.085 1.00 0.00 C ATOM 717 C SER A 49 -13.732 1.501 2.489 1.00 0.00 C ATOM 718 O SER A 49 -13.891 0.435 3.095 1.00 0.00 O ATOM 719 CB SER A 49 -13.922 2.929 4.588 1.00 0.00 C ATOM 720 OG SER A 49 -14.219 4.237 5.035 1.00 0.00 O ATOM 0 HA SER A 49 -13.626 3.629 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.528 2.202 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.879 2.690 4.794 1.00 0.00 H new ATOM 0 HG SER A 49 -14.914 4.627 4.465 1.00 0.00 H new ATOM 726 N ARG A 50 -13.153 1.556 1.281 1.00 0.00 N ATOM 727 CA ARG A 50 -12.689 0.375 0.528 1.00 0.00 C ATOM 728 C ARG A 50 -11.502 -0.305 1.216 1.00 0.00 C ATOM 729 O ARG A 50 -11.399 -1.527 1.153 1.00 0.00 O ATOM 730 CB ARG A 50 -12.286 0.803 -0.893 1.00 0.00 C ATOM 731 CG ARG A 50 -13.434 1.077 -1.879 1.00 0.00 C ATOM 732 CD ARG A 50 -14.046 -0.183 -2.510 1.00 0.00 C ATOM 733 NE ARG A 50 -15.135 -0.796 -1.730 1.00 0.00 N ATOM 734 CZ ARG A 50 -15.784 -1.895 -2.079 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.504 -2.551 -3.167 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.740 -2.363 -1.335 1.00 0.00 N ATOM 0 H ARG A 50 -12.990 2.435 0.789 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.508 -0.344 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.678 1.705 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.651 0.025 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.219 1.626 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.066 1.724 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.425 0.071 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.257 -0.922 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.408 -0.341 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.762 -2.222 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.027 -3.395 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.997 -1.883 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.234 -3.211 -1.613 1.00 0.00 H new ATOM 750 N GLY A 51 -10.669 0.457 1.928 1.00 0.00 N ATOM 751 CA GLY A 51 -9.667 -0.072 2.864 1.00 0.00 C ATOM 752 C GLY A 51 -8.384 -0.604 2.211 1.00 0.00 C ATOM 753 O GLY A 51 -7.740 -1.519 2.732 1.00 0.00 O ATOM 0 H GLY A 51 -10.669 1.475 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.398 0.716 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.122 -0.876 3.443 1.00 0.00 H new ATOM 757 N PHE A 52 -8.012 -0.051 1.060 1.00 0.00 N ATOM 758 CA PHE A 52 -6.827 -0.435 0.296 1.00 0.00 C ATOM 759 C PHE A 52 -6.328 0.709 -0.597 1.00 0.00 C ATOM 760 O PHE A 52 -6.965 1.762 -0.707 1.00 0.00 O ATOM 761 CB PHE A 52 -7.132 -1.702 -0.534 1.00 0.00 C ATOM 762 CG PHE A 52 -8.371 -1.674 -1.415 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.411 -0.882 -2.580 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.464 -2.509 -1.111 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.533 -0.925 -3.427 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.579 -2.561 -1.966 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.611 -1.772 -3.127 1.00 0.00 C ATOM 0 H PHE A 52 -8.543 0.700 0.619 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.023 -0.656 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.270 -1.905 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.226 -2.542 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.577 -0.240 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.445 -3.113 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.565 -0.305 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.411 -3.208 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.464 -1.817 -3.788 1.00 0.00 H new ATOM 777 N GLY A 53 -5.200 0.466 -1.262 1.00 0.00 N ATOM 778 CA GLY A 53 -4.751 1.227 -2.421 1.00 0.00 C ATOM 779 C GLY A 53 -3.449 0.690 -3.019 1.00 0.00 C ATOM 780 O GLY A 53 -3.183 -0.513 -2.988 1.00 0.00 O ATOM 0 H GLY A 53 -4.559 -0.284 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.529 1.210 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.610 2.269 -2.133 1.00 0.00 H new ATOM 784 N PHE A 54 -2.657 1.590 -3.593 1.00 0.00 N ATOM 785 CA PHE A 54 -1.363 1.307 -4.230 1.00 0.00 C ATOM 786 C PHE A 54 -0.198 1.955 -3.471 1.00 0.00 C ATOM 787 O PHE A 54 -0.380 2.969 -2.797 1.00 0.00 O ATOM 788 CB PHE A 54 -1.364 1.793 -5.691 1.00 0.00 C ATOM 789 CG PHE A 54 -2.529 1.348 -6.562 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.890 -0.012 -6.637 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.227 2.296 -7.336 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.952 -0.418 -7.467 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.281 1.888 -8.172 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.647 0.533 -8.235 1.00 0.00 C ATOM 0 H PHE A 54 -2.904 2.579 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.222 0.226 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.340 2.883 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.440 1.456 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.350 -0.745 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.952 3.339 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.233 -1.460 -7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.810 2.618 -8.767 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.461 0.222 -8.873 1.00 0.00 H new ATOM 804 N VAL A 55 1.016 1.441 -3.666 1.00 0.00 N ATOM 805 CA VAL A 55 2.272 2.101 -3.278 1.00 0.00 C ATOM 806 C VAL A 55 3.318 1.937 -4.391 1.00 0.00 C ATOM 807 O VAL A 55 3.406 0.857 -4.982 1.00 0.00 O ATOM 808 CB VAL A 55 2.744 1.574 -1.906 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.251 0.132 -1.967 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.837 2.450 -1.291 1.00 0.00 C ATOM 0 H VAL A 55 1.162 0.533 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 55 2.113 3.173 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 55 1.856 1.608 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.569 -0.184 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.451 -0.521 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.095 0.072 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.135 2.037 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.700 2.476 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.456 3.462 -1.150 1.00 0.00 H new ATOM 820 N SER A 56 4.103 2.976 -4.707 1.00 0.00 N ATOM 821 CA SER A 56 5.160 2.922 -5.738 1.00 0.00 C ATOM 822 C SER A 56 6.531 3.362 -5.214 1.00 0.00 C ATOM 823 O SER A 56 6.651 4.273 -4.388 1.00 0.00 O ATOM 824 CB SER A 56 4.768 3.668 -7.024 1.00 0.00 C ATOM 825 OG SER A 56 5.078 5.041 -6.953 1.00 0.00 O ATOM 0 H SER A 56 4.025 3.886 -4.254 1.00 0.00 H new ATOM 0 HA SER A 56 5.258 1.869 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.286 3.223 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.700 3.546 -7.202 1.00 0.00 H new ATOM 0 HG SER A 56 4.377 5.558 -7.402 1.00 0.00 H new ATOM 831 N PHE A 57 7.577 2.681 -5.687 1.00 0.00 N ATOM 832 CA PHE A 57 8.960 2.860 -5.240 1.00 0.00 C ATOM 833 C PHE A 57 9.798 3.655 -6.249 1.00 0.00 C ATOM 834 O PHE A 57 9.406 3.849 -7.401 1.00 0.00 O ATOM 835 CB PHE A 57 9.582 1.482 -4.951 1.00 0.00 C ATOM 836 CG PHE A 57 9.129 0.858 -3.645 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.884 0.207 -3.555 1.00 0.00 C ATOM 838 CD2 PHE A 57 9.963 0.934 -2.512 1.00 0.00 C ATOM 839 CE1 PHE A 57 7.474 -0.363 -2.336 1.00 0.00 C ATOM 840 CE2 PHE A 57 9.557 0.360 -1.296 1.00 0.00 C ATOM 841 CZ PHE A 57 8.312 -0.285 -1.210 1.00 0.00 C ATOM 0 H PHE A 57 7.483 1.970 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 57 8.953 3.450 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.335 0.805 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.667 1.581 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.243 0.145 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.917 1.435 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.517 -0.859 -2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.200 0.414 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.997 -0.723 -0.274 1.00 0.00 H new ATOM 851 N SER A 58 10.994 4.056 -5.813 1.00 0.00 N ATOM 852 CA SER A 58 12.064 4.592 -6.662 1.00 0.00 C ATOM 853 C SER A 58 12.983 3.489 -7.214 1.00 0.00 C ATOM 854 O SER A 58 13.535 3.658 -8.304 1.00 0.00 O ATOM 855 CB SER A 58 12.906 5.612 -5.882 1.00 0.00 C ATOM 856 OG SER A 58 12.096 6.628 -5.314 1.00 0.00 O ATOM 0 H SER A 58 11.254 4.016 -4.828 1.00 0.00 H new ATOM 0 HA SER A 58 11.579 5.078 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.458 5.102 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.643 6.062 -6.547 1.00 0.00 H new ATOM 0 HG SER A 58 11.631 6.274 -4.528 1.00 0.00 H new ATOM 862 N ASN A 59 13.151 2.366 -6.498 1.00 0.00 N ATOM 863 CA ASN A 59 14.024 1.242 -6.876 1.00 0.00 C ATOM 864 C ASN A 59 13.376 -0.133 -6.601 1.00 0.00 C ATOM 865 O ASN A 59 12.586 -0.303 -5.673 1.00 0.00 O ATOM 866 CB ASN A 59 15.369 1.357 -6.133 1.00 0.00 C ATOM 867 CG ASN A 59 16.075 2.687 -6.332 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.079 3.540 -5.457 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.682 2.922 -7.470 1.00 0.00 N ATOM 0 H ASN A 59 12.669 2.210 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 59 14.188 1.303 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.197 1.205 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.027 0.555 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.154 3.813 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.682 2.214 -8.204 1.00 0.00 H new ATOM 876 N GLU A 60 13.744 -1.146 -7.388 1.00 0.00 N ATOM 877 CA GLU A 60 13.079 -2.459 -7.399 1.00 0.00 C ATOM 878 C GLU A 60 13.522 -3.388 -6.259 1.00 0.00 C ATOM 879 O GLU A 60 12.735 -4.215 -5.803 1.00 0.00 O ATOM 880 CB GLU A 60 13.276 -3.186 -8.745 1.00 0.00 C ATOM 881 CG GLU A 60 13.230 -2.288 -9.992 1.00 0.00 C ATOM 882 CD GLU A 60 14.635 -1.888 -10.459 1.00 0.00 C ATOM 883 OE1 GLU A 60 15.473 -1.473 -9.619 1.00 0.00 O ATOM 884 OE2 GLU A 60 14.960 -2.064 -11.657 1.00 0.00 O ATOM 0 H GLU A 60 14.521 -1.081 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 60 12.023 -2.235 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.237 -3.700 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.506 -3.952 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.715 -2.811 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.651 -1.391 -9.773 1.00 0.00 H new ATOM 891 N GLN A 61 14.760 -3.274 -5.773 1.00 0.00 N ATOM 892 CA GLN A 61 15.242 -4.046 -4.618 1.00 0.00 C ATOM 893 C GLN A 61 14.615 -3.542 -3.307 1.00 0.00 C ATOM 894 O GLN A 61 14.236 -4.351 -2.462 1.00 0.00 O ATOM 895 CB GLN A 61 16.773 -3.991 -4.573 1.00 0.00 C ATOM 896 CG GLN A 61 17.415 -4.859 -5.668 1.00 0.00 C ATOM 897 CD GLN A 61 18.887 -4.521 -5.849 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.789 -5.201 -5.374 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.180 -3.428 -6.509 1.00 0.00 N ATOM 0 H GLN A 61 15.459 -2.645 -6.167 1.00 0.00 H new ATOM 0 HA GLN A 61 14.934 -5.085 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.102 -2.958 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.119 -4.327 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.311 -5.912 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.887 -4.710 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.434 -2.857 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.154 -3.148 -6.625 1.00 0.00 H new ATOM 908 N ALA A 62 14.390 -2.227 -3.182 1.00 0.00 N ATOM 909 CA ALA A 62 13.611 -1.641 -2.089 1.00 0.00 C ATOM 910 C ALA A 62 12.162 -2.167 -2.084 1.00 0.00 C ATOM 911 O ALA A 62 11.659 -2.578 -1.039 1.00 0.00 O ATOM 912 CB ALA A 62 13.657 -0.112 -2.217 1.00 0.00 C ATOM 0 H ALA A 62 14.747 -1.537 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 62 14.048 -1.935 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.081 0.338 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.691 0.227 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.232 0.186 -3.176 1.00 0.00 H new ATOM 918 N MET A 63 11.526 -2.242 -3.261 1.00 0.00 N ATOM 919 CA MET A 63 10.201 -2.852 -3.437 1.00 0.00 C ATOM 920 C MET A 63 10.180 -4.332 -3.000 1.00 0.00 C ATOM 921 O MET A 63 9.233 -4.767 -2.349 1.00 0.00 O ATOM 922 CB MET A 63 9.781 -2.697 -4.911 1.00 0.00 C ATOM 923 CG MET A 63 8.339 -3.137 -5.198 1.00 0.00 C ATOM 924 SD MET A 63 7.957 -3.463 -6.941 1.00 0.00 S ATOM 925 CE MET A 63 8.896 -4.989 -7.236 1.00 0.00 C ATOM 0 H MET A 63 11.922 -1.877 -4.127 1.00 0.00 H new ATOM 0 HA MET A 63 9.487 -2.338 -2.794 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.897 -1.653 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.459 -3.280 -5.535 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.131 -4.040 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.662 -2.364 -4.834 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.606 -5.415 -8.197 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.962 -4.764 -7.246 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.684 -5.706 -6.443 1.00 0.00 H new ATOM 935 N GLN A 64 11.226 -5.107 -3.311 1.00 0.00 N ATOM 936 CA GLN A 64 11.306 -6.536 -2.979 1.00 0.00 C ATOM 937 C GLN A 64 11.550 -6.790 -1.490 1.00 0.00 C ATOM 938 O GLN A 64 10.884 -7.652 -0.912 1.00 0.00 O ATOM 939 CB GLN A 64 12.427 -7.214 -3.775 1.00 0.00 C ATOM 940 CG GLN A 64 12.087 -7.417 -5.255 1.00 0.00 C ATOM 941 CD GLN A 64 13.347 -7.720 -6.057 1.00 0.00 C ATOM 942 OE1 GLN A 64 13.917 -8.799 -5.978 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.859 -6.768 -6.799 1.00 0.00 N ATOM 0 H GLN A 64 12.048 -4.758 -3.804 1.00 0.00 H new ATOM 0 HA GLN A 64 10.337 -6.958 -3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.333 -6.612 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.648 -8.182 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.376 -8.236 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.605 -6.523 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.388 -5.866 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.729 -6.929 -7.307 1.00 0.00 H new ATOM 952 N ASP A 65 12.479 -6.056 -0.868 1.00 0.00 N ATOM 953 CA ASP A 65 12.741 -6.152 0.572 1.00 0.00 C ATOM 954 C ASP A 65 11.535 -5.678 1.394 1.00 0.00 C ATOM 955 O ASP A 65 11.280 -6.243 2.459 1.00 0.00 O ATOM 956 CB ASP A 65 13.996 -5.344 0.957 1.00 0.00 C ATOM 957 CG ASP A 65 15.329 -6.047 0.670 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.359 -7.277 0.416 1.00 0.00 O ATOM 959 OD2 ASP A 65 16.388 -5.380 0.765 1.00 0.00 O ATOM 0 H ASP A 65 13.071 -5.378 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 65 12.917 -7.203 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.979 -4.396 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.947 -5.109 2.020 1.00 0.00 H new ATOM 964 N ALA A 66 10.763 -4.708 0.886 1.00 0.00 N ATOM 965 CA ALA A 66 9.503 -4.301 1.479 1.00 0.00 C ATOM 966 C ALA A 66 8.450 -5.414 1.377 1.00 0.00 C ATOM 967 O ALA A 66 7.995 -5.897 2.403 1.00 0.00 O ATOM 968 CB ALA A 66 9.057 -3.006 0.806 1.00 0.00 C ATOM 0 H ALA A 66 11.007 -4.185 0.045 1.00 0.00 H new ATOM 0 HA ALA A 66 9.631 -4.118 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.110 -2.680 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.812 -2.235 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.930 -3.176 -0.263 1.00 0.00 H new ATOM 974 N ILE A 67 8.096 -5.872 0.171 1.00 0.00 N ATOM 975 CA ILE A 67 7.118 -6.954 -0.075 1.00 0.00 C ATOM 976 C ILE A 67 7.432 -8.221 0.750 1.00 0.00 C ATOM 977 O ILE A 67 6.525 -8.767 1.383 1.00 0.00 O ATOM 978 CB ILE A 67 7.009 -7.224 -1.599 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.278 -6.040 -2.281 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.267 -8.530 -1.939 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.330 -6.075 -3.815 1.00 0.00 C ATOM 0 H ILE A 67 8.490 -5.493 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 67 6.137 -6.629 0.273 1.00 0.00 H new ATOM 0 HB ILE A 67 8.029 -7.328 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.235 -6.038 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.719 -5.106 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.228 -8.655 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.794 -9.374 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.253 -8.486 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.796 -5.214 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.369 -6.045 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.862 -6.992 -4.174 1.00 0.00 H new ATOM 993 N GLU A 68 8.705 -8.630 0.846 1.00 0.00 N ATOM 994 CA GLU A 68 9.156 -9.718 1.738 1.00 0.00 C ATOM 995 C GLU A 68 8.755 -9.492 3.213 1.00 0.00 C ATOM 996 O GLU A 68 8.339 -10.428 3.903 1.00 0.00 O ATOM 997 CB GLU A 68 10.688 -9.832 1.622 1.00 0.00 C ATOM 998 CG GLU A 68 11.296 -11.060 2.324 1.00 0.00 C ATOM 999 CD GLU A 68 12.328 -10.716 3.408 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.156 -9.790 3.224 1.00 0.00 O ATOM 1001 OE2 GLU A 68 12.352 -11.408 4.453 1.00 0.00 O ATOM 0 H GLU A 68 9.461 -8.213 0.303 1.00 0.00 H new ATOM 0 HA GLU A 68 8.666 -10.640 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.958 -9.863 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.139 -8.932 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.492 -11.642 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.769 -11.696 1.576 1.00 0.00 H new ATOM 1008 N GLY A 69 8.834 -8.243 3.678 1.00 0.00 N ATOM 1009 CA GLY A 69 8.421 -7.765 5.002 1.00 0.00 C ATOM 1010 C GLY A 69 6.970 -7.265 5.110 1.00 0.00 C ATOM 1011 O GLY A 69 6.614 -6.723 6.154 1.00 0.00 O ATOM 0 H GLY A 69 9.212 -7.489 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.561 -8.573 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.088 -6.956 5.300 1.00 0.00 H new ATOM 1015 N MET A 70 6.137 -7.403 4.069 1.00 0.00 N ATOM 1016 CA MET A 70 4.710 -7.018 4.076 1.00 0.00 C ATOM 1017 C MET A 70 3.764 -8.214 3.964 1.00 0.00 C ATOM 1018 O MET A 70 2.686 -8.183 4.555 1.00 0.00 O ATOM 1019 CB MET A 70 4.399 -6.035 2.937 1.00 0.00 C ATOM 1020 CG MET A 70 5.052 -4.660 3.131 1.00 0.00 C ATOM 1021 SD MET A 70 4.689 -3.816 4.700 1.00 0.00 S ATOM 1022 CE MET A 70 6.047 -2.613 4.699 1.00 0.00 C ATOM 0 H MET A 70 6.439 -7.794 3.176 1.00 0.00 H new ATOM 0 HA MET A 70 4.540 -6.543 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.740 -6.462 1.994 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.319 -5.910 2.859 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.132 -4.778 3.047 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.738 -4.012 2.312 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.890 -1.887 5.496 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.992 -3.131 4.861 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.076 -2.097 3.739 1.00 0.00 H new ATOM 1032 N ASN A 71 4.147 -9.267 3.234 1.00 0.00 N ATOM 1033 CA ASN A 71 3.343 -10.482 3.077 1.00 0.00 C ATOM 1034 C ASN A 71 3.009 -11.085 4.455 1.00 0.00 C ATOM 1035 O ASN A 71 3.880 -11.651 5.125 1.00 0.00 O ATOM 1036 CB ASN A 71 4.123 -11.445 2.159 1.00 0.00 C ATOM 1037 CG ASN A 71 3.366 -12.728 1.842 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.215 -12.723 1.428 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.972 -13.873 2.017 1.00 0.00 N ATOM 0 H ASN A 71 5.034 -9.299 2.731 1.00 0.00 H new ATOM 0 HA ASN A 71 2.381 -10.268 2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.361 -10.933 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.071 -11.699 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.485 -14.745 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.932 -13.895 2.362 1.00 0.00 H new ATOM 1046 N GLY A 72 1.757 -10.917 4.887 1.00 0.00 N ATOM 1047 CA GLY A 72 1.221 -11.462 6.138 1.00 0.00 C ATOM 1048 C GLY A 72 1.596 -10.716 7.425 1.00 0.00 C ATOM 1049 O GLY A 72 1.435 -11.292 8.503 1.00 0.00 O ATOM 0 H GLY A 72 1.067 -10.382 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.134 -11.486 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.557 -12.495 6.232 1.00 0.00 H new ATOM 1053 N LYS A 73 2.102 -9.476 7.361 1.00 0.00 N ATOM 1054 CA LYS A 73 2.328 -8.635 8.559 1.00 0.00 C ATOM 1055 C LYS A 73 1.012 -8.104 9.152 1.00 0.00 C ATOM 1056 O LYS A 73 -0.061 -8.264 8.572 1.00 0.00 O ATOM 1057 CB LYS A 73 3.313 -7.489 8.217 1.00 0.00 C ATOM 1058 CG LYS A 73 4.758 -7.756 8.670 1.00 0.00 C ATOM 1059 CD LYS A 73 4.940 -7.770 10.193 1.00 0.00 C ATOM 1060 CE LYS A 73 6.429 -7.766 10.559 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.626 -7.965 12.014 1.00 0.00 N ATOM 0 H LYS A 73 2.367 -9.024 6.486 1.00 0.00 H new ATOM 0 HA LYS A 73 2.776 -9.257 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.305 -7.325 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.960 -6.569 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.084 -8.715 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.409 -6.993 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.450 -6.900 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.459 -8.653 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.943 -8.554 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.878 -6.820 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.643 -7.958 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.155 -7.199 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.218 -8.879 12.298 1.00 0.00 H new ATOM 1075 N GLU A 74 1.108 -7.420 10.289 1.00 0.00 N ATOM 1076 CA GLU A 74 0.134 -6.417 10.734 1.00 0.00 C ATOM 1077 C GLU A 74 0.647 -4.993 10.441 1.00 0.00 C ATOM 1078 O GLU A 74 1.833 -4.706 10.625 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.257 -6.616 12.212 1.00 0.00 C ATOM 1080 CG GLU A 74 0.874 -6.524 13.251 1.00 0.00 C ATOM 1081 CD GLU A 74 1.765 -7.769 13.288 1.00 0.00 C ATOM 1082 OE1 GLU A 74 2.765 -7.841 12.535 1.00 0.00 O ATOM 1083 OE2 GLU A 74 1.538 -8.673 14.124 1.00 0.00 O ATOM 0 H GLU A 74 1.880 -7.547 10.943 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.782 -6.554 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.012 -5.872 12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.728 -7.594 12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.489 -5.652 13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.439 -6.367 14.238 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.237 -4.096 9.998 1.00 0.00 N ATOM 1091 CA LEU A 75 0.030 -2.673 9.763 1.00 0.00 C ATOM 1092 C LEU A 75 -1.173 -1.845 10.243 1.00 0.00 C ATOM 1093 O LEU A 75 -2.317 -2.229 10.001 1.00 0.00 O ATOM 1094 CB LEU A 75 0.306 -2.432 8.263 1.00 0.00 C ATOM 1095 CG LEU A 75 1.475 -1.458 8.026 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.808 -2.211 8.024 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.325 -0.758 6.675 1.00 0.00 C ATOM 0 H LEU A 75 -1.201 -4.352 9.784 1.00 0.00 H new ATOM 0 HA LEU A 75 0.912 -2.364 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.527 -3.384 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.593 -2.037 7.791 1.00 0.00 H new ATOM 0 HG LEU A 75 1.460 -0.724 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.623 -1.507 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.948 -2.705 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.803 -2.958 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.160 -0.074 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.318 -1.502 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.390 -0.198 6.657 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.940 -0.736 10.948 1.00 0.00 N ATOM 1110 CA ASP A 76 -1.975 0.005 11.693 1.00 0.00 C ATOM 1111 C ASP A 76 -2.842 -0.884 12.628 1.00 0.00 C ATOM 1112 O ASP A 76 -3.991 -0.561 12.948 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.788 0.926 10.755 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.565 2.006 11.523 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.029 2.528 12.530 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.711 2.341 11.134 1.00 0.00 O ATOM 0 H ASP A 76 -0.013 -0.316 11.022 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.453 0.659 12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.113 1.404 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.487 0.323 10.175 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.298 -2.023 13.071 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.976 -3.046 13.875 1.00 0.00 C ATOM 1123 C GLY A 77 -3.854 -4.035 13.093 1.00 0.00 C ATOM 1124 O GLY A 77 -4.487 -4.890 13.709 1.00 0.00 O ATOM 0 H GLY A 77 -1.329 -2.268 12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.221 -3.612 14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.598 -2.545 14.617 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.896 -3.956 11.757 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.739 -4.778 10.867 1.00 0.00 C ATOM 1130 C ARG A 78 -3.856 -5.719 10.040 1.00 0.00 C ATOM 1131 O ARG A 78 -2.759 -5.324 9.653 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.562 -3.871 9.923 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.232 -2.634 10.553 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.363 -2.916 11.552 1.00 0.00 C ATOM 1135 NE ARG A 78 -7.846 -1.634 12.096 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.073 -1.170 12.229 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.154 -1.862 12.034 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.231 0.070 12.569 1.00 0.00 N ATOM 0 H ARG A 78 -3.321 -3.291 11.241 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.424 -5.368 11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.905 -3.530 9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.339 -4.479 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.465 -2.048 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.630 -2.013 9.751 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.177 -3.448 11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.004 -3.557 12.358 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.113 -1.004 12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.089 -2.841 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.068 -1.426 12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.416 0.663 12.727 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.170 0.453 12.678 1.00 0.00 H new ATOM 1152 N SER A 79 -4.316 -6.925 9.705 1.00 0.00 N ATOM 1153 CA SER A 79 -3.605 -7.797 8.748 1.00 0.00 C ATOM 1154 C SER A 79 -3.368 -7.081 7.409 1.00 0.00 C ATOM 1155 O SER A 79 -4.317 -6.554 6.824 1.00 0.00 O ATOM 1156 CB SER A 79 -4.406 -9.075 8.475 1.00 0.00 C ATOM 1157 OG SER A 79 -4.386 -9.941 9.597 1.00 0.00 O ATOM 0 H SER A 79 -5.176 -7.327 10.078 1.00 0.00 H new ATOM 0 HA SER A 79 -2.646 -8.048 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.436 -8.816 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.991 -9.589 7.608 1.00 0.00 H new ATOM 0 HG SER A 79 -4.906 -10.748 9.397 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.130 -7.092 6.901 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.772 -6.567 5.570 1.00 0.00 C ATOM 1165 C ILE A 80 -1.599 -7.696 4.543 1.00 0.00 C ATOM 1166 O ILE A 80 -1.135 -8.799 4.861 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.599 -5.548 5.619 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.154 -5.109 4.205 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.593 -6.067 6.436 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.715 -3.848 4.163 1.00 0.00 C ATOM 0 H ILE A 80 -1.332 -7.472 7.409 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.616 -5.978 5.211 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.983 -4.667 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.398 -5.928 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.043 -4.940 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.385 -5.318 6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.275 -6.263 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.966 -6.989 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.976 -3.620 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.163 -3.011 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.625 -4.014 4.739 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.997 -7.415 3.302 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.810 -8.259 2.114 1.00 0.00 C ATOM 1184 C VAL A 81 -1.185 -7.428 0.993 1.00 0.00 C ATOM 1185 O VAL A 81 -1.545 -6.262 0.814 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.143 -8.906 1.680 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.086 -9.594 0.309 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.544 -9.965 2.713 1.00 0.00 C ATOM 0 H VAL A 81 -2.485 -6.547 3.083 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.130 -9.076 2.354 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.865 -8.092 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.061 -10.023 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.820 -8.863 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.337 -10.385 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.485 -10.427 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.768 -10.728 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.665 -9.494 3.689 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.253 -8.037 0.251 1.00 0.00 N ATOM 1199 CA VAL A 82 0.493 -7.411 -0.859 1.00 0.00 C ATOM 1200 C VAL A 82 0.412 -8.227 -2.160 1.00 0.00 C ATOM 1201 O VAL A 82 0.328 -9.458 -2.126 1.00 0.00 O ATOM 1202 CB VAL A 82 1.958 -7.119 -0.503 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.001 -5.977 0.512 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.724 -8.326 0.050 1.00 0.00 C ATOM 0 H VAL A 82 0.015 -9.009 0.407 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.002 -6.455 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 82 2.458 -6.849 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.037 -5.761 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.542 -5.088 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.454 -6.267 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.750 -8.034 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.239 -8.679 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.729 -9.125 -0.692 1.00 0.00 H new ATOM 1214 N ASN A 83 0.500 -7.554 -3.313 1.00 0.00 N ATOM 1215 CA ASN A 83 0.819 -8.163 -4.617 1.00 0.00 C ATOM 1216 C ASN A 83 1.412 -7.137 -5.597 1.00 0.00 C ATOM 1217 O ASN A 83 1.129 -5.947 -5.485 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.422 -8.840 -5.244 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.626 -7.929 -5.445 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.592 -7.980 -4.698 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.621 -7.091 -6.456 1.00 0.00 N ATOM 0 H ASN A 83 0.348 -6.547 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 83 1.573 -8.928 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.138 -9.259 -6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.720 -9.675 -4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.423 -6.482 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.815 -7.049 -7.079 1.00 0.00 H new ATOM 1228 N GLU A 84 2.140 -7.594 -6.618 1.00 0.00 N ATOM 1229 CA GLU A 84 2.612 -6.759 -7.743 1.00 0.00 C ATOM 1230 C GLU A 84 1.443 -6.046 -8.460 1.00 0.00 C ATOM 1231 O GLU A 84 0.326 -6.575 -8.479 1.00 0.00 O ATOM 1232 CB GLU A 84 3.371 -7.620 -8.777 1.00 0.00 C ATOM 1233 CG GLU A 84 2.588 -8.844 -9.299 1.00 0.00 C ATOM 1234 CD GLU A 84 2.863 -9.137 -10.782 1.00 0.00 C ATOM 1235 OE1 GLU A 84 4.026 -9.455 -11.137 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.917 -9.047 -11.605 1.00 0.00 O ATOM 0 H GLU A 84 2.427 -8.570 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 84 3.277 -6.007 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.641 -6.991 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.302 -7.966 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.852 -9.719 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.521 -8.674 -9.159 1.00 0.00 H new ATOM 1243 N ALA A 85 1.669 -4.854 -9.028 1.00 0.00 N ATOM 1244 CA ALA A 85 0.593 -4.029 -9.597 1.00 0.00 C ATOM 1245 C ALA A 85 0.849 -3.452 -11.011 1.00 0.00 C ATOM 1246 O ALA A 85 0.105 -2.570 -11.444 1.00 0.00 O ATOM 1247 CB ALA A 85 0.162 -2.989 -8.550 1.00 0.00 C ATOM 0 H ALA A 85 2.596 -4.436 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.246 -4.693 -9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.636 -2.370 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.197 -3.500 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.013 -2.359 -8.291 1.00 0.00 H new