USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 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 68:sc= 0.0946 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -108:sc= 1.57 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 31:sc= 0.179 USER MOD Single : A 56 SER OG : rot 36:sc= 0.0583 USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.54) USER MOD Single : A 63 MET CE :methyl 178:sc= 0 (180deg=-0.00787) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 70 MET CE :methyl 177:sc= -0.267 (180deg=-0.291) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 33:sc= 0.0283 USER MOD Single : A 83 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.505 0.709 -10.498 1.00 0.00 N ATOM 101 CA TYR A 9 7.633 -0.234 -9.376 1.00 0.00 C ATOM 102 C TYR A 9 6.456 -0.063 -8.395 1.00 0.00 C ATOM 103 O TYR A 9 6.628 0.438 -7.284 1.00 0.00 O ATOM 104 CB TYR A 9 8.984 -0.028 -8.661 1.00 0.00 C ATOM 105 CG TYR A 9 10.211 0.044 -9.547 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.745 -1.114 -10.140 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.842 1.284 -9.745 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.914 -1.028 -10.921 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.010 1.374 -10.515 1.00 0.00 C ATOM 110 CZ TYR A 9 12.558 0.214 -11.099 1.00 0.00 C ATOM 111 OH TYR A 9 13.722 0.293 -11.799 1.00 0.00 O ATOM 0 HA TYR A 9 7.604 -1.252 -9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.927 0.893 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.123 -0.843 -7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.259 -2.068 -9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.424 2.175 -9.300 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.318 -1.916 -11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.489 2.331 -10.661 1.00 0.00 H new ATOM 0 HH TYR A 9 14.026 1.224 -11.824 1.00 0.00 H new ATOM 121 N ARG A 10 5.265 -0.536 -8.785 1.00 0.00 N ATOM 122 CA ARG A 10 3.996 -0.315 -8.057 1.00 0.00 C ATOM 123 C ARG A 10 3.433 -1.621 -7.490 1.00 0.00 C ATOM 124 O ARG A 10 3.402 -2.638 -8.188 1.00 0.00 O ATOM 125 CB ARG A 10 3.005 0.407 -8.993 1.00 0.00 C ATOM 126 CG ARG A 10 1.775 1.021 -8.296 1.00 0.00 C ATOM 127 CD ARG A 10 0.839 1.638 -9.353 1.00 0.00 C ATOM 128 NE ARG A 10 -0.199 2.522 -8.783 1.00 0.00 N ATOM 129 CZ ARG A 10 -1.274 2.971 -9.418 1.00 0.00 C ATOM 130 NH1 ARG A 10 -1.613 2.589 -10.612 1.00 0.00 N ATOM 131 NH2 ARG A 10 -2.044 3.846 -8.853 1.00 0.00 N ATOM 0 H ARG A 10 5.148 -1.094 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 10 4.177 0.321 -7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.538 1.199 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.660 -0.301 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.246 0.256 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.090 1.784 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.436 2.206 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.355 0.836 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.078 2.814 -7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.040 1.908 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.452 2.969 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.824 4.191 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.870 4.190 -9.343 1.00 0.00 H new ATOM 145 N CYS A 11 2.941 -1.599 -6.251 1.00 0.00 N ATOM 146 CA CYS A 11 2.290 -2.741 -5.599 1.00 0.00 C ATOM 147 C CYS A 11 0.970 -2.357 -4.902 1.00 0.00 C ATOM 148 O CYS A 11 0.730 -1.195 -4.583 1.00 0.00 O ATOM 149 CB CYS A 11 3.301 -3.474 -4.693 1.00 0.00 C ATOM 150 SG CYS A 11 3.294 -2.873 -2.978 1.00 0.00 S ATOM 0 H CYS A 11 2.984 -0.770 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 11 1.978 -3.451 -6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.077 -4.541 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.302 -3.357 -5.108 1.00 0.00 H new ATOM 0 HG CYS A 11 2.169 -3.193 -2.411 1.00 0.00 H new ATOM 156 N PHE A 12 0.099 -3.345 -4.707 1.00 0.00 N ATOM 157 CA PHE A 12 -1.126 -3.288 -3.910 1.00 0.00 C ATOM 158 C PHE A 12 -0.829 -3.349 -2.405 1.00 0.00 C ATOM 159 O PHE A 12 0.140 -3.992 -1.994 1.00 0.00 O ATOM 160 CB PHE A 12 -2.003 -4.479 -4.318 1.00 0.00 C ATOM 161 CG PHE A 12 -3.243 -4.686 -3.472 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.387 -3.906 -3.707 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.259 -5.656 -2.449 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.551 -4.105 -2.948 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.419 -5.843 -1.675 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.565 -5.068 -1.925 1.00 0.00 C ATOM 0 H PHE A 12 0.238 -4.264 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.634 -2.342 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.309 -4.346 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.399 -5.385 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.371 -3.148 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.381 -6.255 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.435 -3.518 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.429 -6.583 -0.888 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.455 -5.213 -1.331 1.00 0.00 H new ATOM 176 N VAL A 13 -1.707 -2.733 -1.606 1.00 0.00 N ATOM 177 CA VAL A 13 -1.752 -2.813 -0.138 1.00 0.00 C ATOM 178 C VAL A 13 -3.203 -2.855 0.349 1.00 0.00 C ATOM 179 O VAL A 13 -3.941 -1.899 0.120 1.00 0.00 O ATOM 180 CB VAL A 13 -1.030 -1.625 0.540 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.415 -1.981 0.881 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.040 -0.318 -0.268 1.00 0.00 C ATOM 0 H VAL A 13 -2.443 -2.135 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.233 -3.730 0.141 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.608 -1.441 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.898 -1.127 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.429 -2.832 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.951 -2.239 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.511 0.457 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.547 -0.479 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.070 -0.003 -0.438 1.00 0.00 H new ATOM 192 N GLY A 14 -3.607 -3.916 1.053 1.00 0.00 N ATOM 193 CA GLY A 14 -4.919 -4.026 1.716 1.00 0.00 C ATOM 194 C GLY A 14 -4.796 -4.199 3.233 1.00 0.00 C ATOM 195 O GLY A 14 -4.103 -5.115 3.674 1.00 0.00 O ATOM 0 H GLY A 14 -3.023 -4.742 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.507 -3.134 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.463 -4.874 1.300 1.00 0.00 H new ATOM 199 N SER A 15 -5.436 -3.316 4.010 1.00 0.00 N ATOM 200 CA SER A 15 -5.472 -3.326 5.494 1.00 0.00 C ATOM 201 C SER A 15 -6.294 -2.185 6.110 1.00 0.00 C ATOM 202 O SER A 15 -6.722 -2.293 7.261 1.00 0.00 O ATOM 203 CB SER A 15 -4.068 -3.162 6.107 1.00 0.00 C ATOM 204 OG SER A 15 -3.378 -2.046 5.574 1.00 0.00 O ATOM 0 H SER A 15 -5.967 -2.540 3.615 1.00 0.00 H new ATOM 0 HA SER A 15 -5.923 -4.292 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.156 -3.050 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.487 -4.066 5.927 1.00 0.00 H new ATOM 0 HG SER A 15 -2.494 -1.978 5.991 1.00 0.00 H new ATOM 210 N LEU A 16 -6.464 -1.072 5.386 1.00 0.00 N ATOM 211 CA LEU A 16 -6.864 0.230 5.925 1.00 0.00 C ATOM 212 C LEU A 16 -8.267 0.225 6.539 1.00 0.00 C ATOM 213 O LEU A 16 -9.129 -0.599 6.222 1.00 0.00 O ATOM 214 CB LEU A 16 -6.768 1.331 4.846 1.00 0.00 C ATOM 215 CG LEU A 16 -5.485 1.405 4.012 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.576 2.685 3.188 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.200 1.439 4.832 1.00 0.00 C ATOM 0 H LEU A 16 -6.322 -1.054 4.376 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.162 0.447 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.606 1.202 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.904 2.294 5.338 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.424 0.499 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.682 2.786 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.456 2.642 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.656 3.543 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.342 1.491 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.206 2.314 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.132 0.536 5.439 1.00 0.00 H new ATOM 229 N SER A 17 -8.483 1.214 7.390 1.00 0.00 N ATOM 230 CA SER A 17 -9.691 1.438 8.193 1.00 0.00 C ATOM 231 C SER A 17 -10.205 2.867 7.971 1.00 0.00 C ATOM 232 O SER A 17 -9.486 3.684 7.392 1.00 0.00 O ATOM 233 CB SER A 17 -9.354 1.214 9.673 1.00 0.00 C ATOM 234 OG SER A 17 -8.826 -0.083 9.915 1.00 0.00 O ATOM 0 H SER A 17 -7.778 1.933 7.555 1.00 0.00 H new ATOM 0 HA SER A 17 -10.472 0.740 7.892 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.632 1.964 9.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.252 1.356 10.274 1.00 0.00 H new ATOM 0 HG SER A 17 -8.624 -0.181 10.869 1.00 0.00 H new ATOM 240 N TRP A 18 -11.408 3.215 8.442 1.00 0.00 N ATOM 241 CA TRP A 18 -11.959 4.577 8.268 1.00 0.00 C ATOM 242 C TRP A 18 -11.035 5.706 8.771 1.00 0.00 C ATOM 243 O TRP A 18 -10.983 6.777 8.156 1.00 0.00 O ATOM 244 CB TRP A 18 -13.356 4.679 8.905 1.00 0.00 C ATOM 245 CG TRP A 18 -13.436 4.666 10.407 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.785 3.601 11.166 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.211 5.764 11.350 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.749 3.947 12.503 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.390 5.266 12.676 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.865 7.128 11.227 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.200 6.062 13.815 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.671 7.938 12.362 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.820 7.405 13.655 1.00 0.00 C ATOM 0 H TRP A 18 -12.023 2.577 8.947 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.038 4.731 7.192 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.821 5.599 8.551 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.959 3.852 8.529 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -14.052 2.627 10.784 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.962 3.306 13.267 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.747 7.558 10.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.344 5.648 14.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.405 8.978 12.239 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.643 8.025 14.521 1.00 0.00 H new ATOM 264 N ASN A 19 -10.267 5.462 9.841 1.00 0.00 N ATOM 265 CA ASN A 19 -9.307 6.413 10.410 1.00 0.00 C ATOM 266 C ASN A 19 -7.979 6.488 9.622 1.00 0.00 C ATOM 267 O ASN A 19 -7.356 7.553 9.565 1.00 0.00 O ATOM 268 CB ASN A 19 -9.096 6.018 11.884 1.00 0.00 C ATOM 269 CG ASN A 19 -8.173 6.968 12.623 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.555 8.064 13.012 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.938 6.594 12.839 1.00 0.00 N ATOM 0 H ASN A 19 -10.298 4.576 10.346 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.710 7.424 10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.061 5.991 12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.684 5.010 11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.296 7.215 13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.618 5.681 12.516 1.00 0.00 H new ATOM 278 N THR A 20 -7.543 5.385 9.002 1.00 0.00 N ATOM 279 CA THR A 20 -6.282 5.276 8.243 1.00 0.00 C ATOM 280 C THR A 20 -6.357 5.984 6.891 1.00 0.00 C ATOM 281 O THR A 20 -7.434 6.123 6.305 1.00 0.00 O ATOM 282 CB THR A 20 -5.882 3.810 7.964 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.467 2.895 8.863 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.368 3.606 8.011 1.00 0.00 C ATOM 0 H THR A 20 -8.072 4.513 9.012 1.00 0.00 H new ATOM 0 HA THR A 20 -5.537 5.752 8.880 1.00 0.00 H new ATOM 0 HB THR A 20 -6.257 3.613 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.781 2.551 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.135 2.560 7.809 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.893 4.235 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.995 3.876 8.999 1.00 0.00 H new ATOM 292 N ASP A 21 -5.208 6.374 6.338 1.00 0.00 N ATOM 293 CA ASP A 21 -5.089 6.738 4.924 1.00 0.00 C ATOM 294 C ASP A 21 -3.695 6.411 4.345 1.00 0.00 C ATOM 295 O ASP A 21 -2.919 5.685 4.976 1.00 0.00 O ATOM 296 CB ASP A 21 -5.457 8.230 4.751 1.00 0.00 C ATOM 297 CG ASP A 21 -4.338 9.187 5.173 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.965 9.209 6.367 1.00 0.00 O ATOM 299 OD2 ASP A 21 -3.813 9.922 4.297 1.00 0.00 O ATOM 0 H ASP A 21 -4.333 6.447 6.857 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.790 6.132 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.709 8.415 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.350 8.446 5.337 1.00 0.00 H new ATOM 304 N ASP A 22 -3.350 6.953 3.162 1.00 0.00 N ATOM 305 CA ASP A 22 -2.013 6.744 2.584 1.00 0.00 C ATOM 306 C ASP A 22 -0.883 7.155 3.548 1.00 0.00 C ATOM 307 O ASP A 22 0.157 6.503 3.552 1.00 0.00 O ATOM 308 CB ASP A 22 -1.805 7.427 1.212 1.00 0.00 C ATOM 309 CG ASP A 22 -1.837 8.957 1.233 1.00 0.00 C ATOM 310 OD1 ASP A 22 -0.911 9.600 1.771 1.00 0.00 O ATOM 311 OD2 ASP A 22 -2.780 9.557 0.670 1.00 0.00 O ATOM 0 H ASP A 22 -3.971 7.531 2.596 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.961 5.668 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.846 7.105 0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.576 7.073 0.528 1.00 0.00 H new ATOM 316 N ARG A 23 -1.091 8.162 4.415 1.00 0.00 N ATOM 317 CA ARG A 23 -0.073 8.669 5.351 1.00 0.00 C ATOM 318 C ARG A 23 0.542 7.555 6.204 1.00 0.00 C ATOM 319 O ARG A 23 1.769 7.508 6.339 1.00 0.00 O ATOM 320 CB ARG A 23 -0.707 9.757 6.236 1.00 0.00 C ATOM 321 CG ARG A 23 0.310 10.521 7.094 1.00 0.00 C ATOM 322 CD ARG A 23 -0.411 11.508 8.023 1.00 0.00 C ATOM 323 NE ARG A 23 0.547 12.286 8.824 1.00 0.00 N ATOM 324 CZ ARG A 23 1.176 11.907 9.918 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.003 10.745 10.480 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.034 12.708 10.471 1.00 0.00 N ATOM 0 H ARG A 23 -1.983 8.652 4.486 1.00 0.00 H new ATOM 0 HA ARG A 23 0.746 9.095 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.239 10.465 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.448 9.296 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.898 9.819 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.007 11.059 6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.027 12.185 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.083 10.962 8.685 1.00 0.00 H new ATOM 0 HE ARG A 23 0.748 13.230 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.352 10.073 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.518 10.506 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.217 13.623 10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.526 12.423 11.318 1.00 0.00 H new ATOM 340 N GLY A 24 -0.290 6.657 6.736 1.00 0.00 N ATOM 341 CA GLY A 24 0.127 5.583 7.638 1.00 0.00 C ATOM 342 C GLY A 24 0.838 4.417 6.949 1.00 0.00 C ATOM 343 O GLY A 24 1.807 3.895 7.511 1.00 0.00 O ATOM 0 H GLY A 24 -1.292 6.657 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.790 5.999 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.751 5.200 8.158 1.00 0.00 H new ATOM 347 N LEU A 25 0.427 4.033 5.728 1.00 0.00 N ATOM 348 CA LEU A 25 1.174 3.018 4.959 1.00 0.00 C ATOM 349 C LEU A 25 2.455 3.603 4.342 1.00 0.00 C ATOM 350 O LEU A 25 3.495 2.951 4.365 1.00 0.00 O ATOM 351 CB LEU A 25 0.274 2.269 3.950 1.00 0.00 C ATOM 352 CG LEU A 25 -0.069 3.013 2.642 1.00 0.00 C ATOM 353 CD1 LEU A 25 0.939 2.684 1.535 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.468 2.631 2.156 1.00 0.00 C ATOM 0 H LEU A 25 -0.401 4.400 5.258 1.00 0.00 H new ATOM 0 HA LEU A 25 1.509 2.252 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.763 1.330 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.660 2.014 4.451 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.030 4.080 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.671 3.223 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.938 2.983 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.926 1.612 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.691 3.166 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.509 1.557 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.203 2.897 2.916 1.00 0.00 H new ATOM 366 N GLU A 26 2.415 4.851 3.867 1.00 0.00 N ATOM 367 CA GLU A 26 3.571 5.575 3.330 1.00 0.00 C ATOM 368 C GLU A 26 4.685 5.667 4.380 1.00 0.00 C ATOM 369 O GLU A 26 5.835 5.373 4.066 1.00 0.00 O ATOM 370 CB GLU A 26 3.114 6.973 2.872 1.00 0.00 C ATOM 371 CG GLU A 26 4.190 7.818 2.179 1.00 0.00 C ATOM 372 CD GLU A 26 3.775 9.292 2.169 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.949 9.961 3.221 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.262 9.803 1.143 1.00 0.00 O ATOM 0 H GLU A 26 1.556 5.400 3.845 1.00 0.00 H new ATOM 0 HA GLU A 26 3.979 5.037 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.271 6.857 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.748 7.521 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.143 7.704 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.338 7.467 1.158 1.00 0.00 H new ATOM 381 N ALA A 27 4.357 5.981 5.640 1.00 0.00 N ATOM 382 CA ALA A 27 5.344 6.045 6.717 1.00 0.00 C ATOM 383 C ALA A 27 5.961 4.678 7.059 1.00 0.00 C ATOM 384 O ALA A 27 7.154 4.599 7.356 1.00 0.00 O ATOM 385 CB ALA A 27 4.673 6.663 7.948 1.00 0.00 C ATOM 0 H ALA A 27 3.405 6.196 5.937 1.00 0.00 H new ATOM 0 HA ALA A 27 6.176 6.663 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.393 6.720 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.320 7.665 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.829 6.044 8.251 1.00 0.00 H new ATOM 391 N ALA A 28 5.181 3.593 6.997 1.00 0.00 N ATOM 392 CA ALA A 28 5.698 2.242 7.224 1.00 0.00 C ATOM 393 C ALA A 28 6.629 1.790 6.080 1.00 0.00 C ATOM 394 O ALA A 28 7.710 1.256 6.340 1.00 0.00 O ATOM 395 CB ALA A 28 4.518 1.287 7.439 1.00 0.00 C ATOM 0 H ALA A 28 4.183 3.627 6.790 1.00 0.00 H new ATOM 0 HA ALA A 28 6.315 2.234 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.893 0.278 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.941 1.611 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.880 1.293 6.556 1.00 0.00 H new ATOM 401 N PHE A 29 6.248 2.052 4.821 1.00 0.00 N ATOM 402 CA PHE A 29 7.029 1.703 3.625 1.00 0.00 C ATOM 403 C PHE A 29 8.258 2.606 3.422 1.00 0.00 C ATOM 404 O PHE A 29 9.288 2.130 2.945 1.00 0.00 O ATOM 405 CB PHE A 29 6.117 1.729 2.383 1.00 0.00 C ATOM 406 CG PHE A 29 5.294 0.468 2.141 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.322 0.042 3.065 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.495 -0.281 0.964 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.568 -1.119 2.820 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.757 -1.455 0.727 1.00 0.00 C ATOM 411 CZ PHE A 29 3.791 -1.874 1.656 1.00 0.00 C ATOM 0 H PHE A 29 5.370 2.522 4.601 1.00 0.00 H new ATOM 0 HA PHE A 29 7.417 0.695 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.435 2.574 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.736 1.911 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.154 0.610 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.222 0.049 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.815 -1.432 3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.933 -2.033 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.221 -2.774 1.476 1.00 0.00 H new ATOM 421 N SER A 30 8.206 3.874 3.846 1.00 0.00 N ATOM 422 CA SER A 30 9.328 4.823 3.758 1.00 0.00 C ATOM 423 C SER A 30 10.577 4.366 4.530 1.00 0.00 C ATOM 424 O SER A 30 11.688 4.802 4.231 1.00 0.00 O ATOM 425 CB SER A 30 8.850 6.186 4.264 1.00 0.00 C ATOM 426 OG SER A 30 9.824 7.192 4.088 1.00 0.00 O ATOM 0 H SER A 30 7.370 4.279 4.267 1.00 0.00 H new ATOM 0 HA SER A 30 9.635 4.883 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.939 6.468 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.595 6.110 5.321 1.00 0.00 H new ATOM 0 HG SER A 30 9.477 8.045 4.423 1.00 0.00 H new ATOM 432 N SER A 31 10.426 3.448 5.492 1.00 0.00 N ATOM 433 CA SER A 31 11.548 2.855 6.234 1.00 0.00 C ATOM 434 C SER A 31 12.267 1.728 5.466 1.00 0.00 C ATOM 435 O SER A 31 13.388 1.358 5.824 1.00 0.00 O ATOM 436 CB SER A 31 11.074 2.368 7.608 1.00 0.00 C ATOM 437 OG SER A 31 10.309 3.376 8.252 1.00 0.00 O ATOM 0 H SER A 31 9.515 3.092 5.781 1.00 0.00 H new ATOM 0 HA SER A 31 12.289 3.644 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.475 1.465 7.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.934 2.105 8.224 1.00 0.00 H new ATOM 0 HG SER A 31 10.011 3.051 9.127 1.00 0.00 H new ATOM 443 N PHE A 32 11.664 1.187 4.397 1.00 0.00 N ATOM 444 CA PHE A 32 12.259 0.151 3.534 1.00 0.00 C ATOM 445 C PHE A 32 13.092 0.732 2.381 1.00 0.00 C ATOM 446 O PHE A 32 14.017 0.063 1.915 1.00 0.00 O ATOM 447 CB PHE A 32 11.163 -0.780 2.984 1.00 0.00 C ATOM 448 CG PHE A 32 10.604 -1.764 3.996 1.00 0.00 C ATOM 449 CD1 PHE A 32 9.719 -1.329 5.002 1.00 0.00 C ATOM 450 CD2 PHE A 32 10.974 -3.122 3.934 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.219 -2.242 5.947 1.00 0.00 C ATOM 452 CE2 PHE A 32 10.463 -4.037 4.871 1.00 0.00 C ATOM 453 CZ PHE A 32 9.588 -3.596 5.879 1.00 0.00 C ATOM 0 H PHE A 32 10.728 1.463 4.100 1.00 0.00 H new ATOM 0 HA PHE A 32 12.946 -0.420 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.345 -0.170 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.568 -1.338 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.424 -0.291 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.652 -3.461 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.551 -1.903 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.743 -5.079 4.816 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.199 -4.298 6.601 1.00 0.00 H new ATOM 463 N GLY A 33 12.795 1.957 1.934 1.00 0.00 N ATOM 464 CA GLY A 33 13.540 2.666 0.889 1.00 0.00 C ATOM 465 C GLY A 33 12.899 3.995 0.477 1.00 0.00 C ATOM 466 O GLY A 33 11.906 4.430 1.065 1.00 0.00 O ATOM 0 H GLY A 33 12.010 2.496 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.554 2.855 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.621 2.024 0.012 1.00 0.00 H new ATOM 470 N GLU A 34 13.448 4.638 -0.556 1.00 0.00 N ATOM 471 CA GLU A 34 12.939 5.902 -1.108 1.00 0.00 C ATOM 472 C GLU A 34 11.550 5.717 -1.747 1.00 0.00 C ATOM 473 O GLU A 34 11.388 4.992 -2.736 1.00 0.00 O ATOM 474 CB GLU A 34 13.941 6.517 -2.102 1.00 0.00 C ATOM 475 CG GLU A 34 15.099 7.216 -1.376 1.00 0.00 C ATOM 476 CD GLU A 34 16.122 7.830 -2.340 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.744 8.661 -3.204 1.00 0.00 O ATOM 478 OE2 GLU A 34 17.334 7.515 -2.190 1.00 0.00 O ATOM 0 H GLU A 34 14.274 4.291 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 34 12.824 6.603 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.336 5.736 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.426 7.234 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.698 7.999 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.602 6.498 -0.729 1.00 0.00 H new ATOM 485 N ILE A 35 10.559 6.380 -1.147 1.00 0.00 N ATOM 486 CA ILE A 35 9.128 6.326 -1.470 1.00 0.00 C ATOM 487 C ILE A 35 8.744 7.356 -2.550 1.00 0.00 C ATOM 488 O ILE A 35 9.309 8.459 -2.591 1.00 0.00 O ATOM 489 CB ILE A 35 8.335 6.482 -0.146 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.874 6.001 -0.216 1.00 0.00 C ATOM 491 CG2 ILE A 35 8.356 7.924 0.397 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.758 4.486 -0.398 1.00 0.00 C ATOM 0 H ILE A 35 10.746 7.013 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 35 8.872 5.364 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 35 8.868 5.825 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.356 6.294 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.370 6.502 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.785 7.972 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.386 8.226 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.912 8.596 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.706 4.204 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.250 4.192 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.235 3.981 0.442 1.00 0.00 H new ATOM 504 N LEU A 36 7.790 7.010 -3.423 1.00 0.00 N ATOM 505 CA LEU A 36 7.424 7.786 -4.622 1.00 0.00 C ATOM 506 C LEU A 36 6.005 8.386 -4.543 1.00 0.00 C ATOM 507 O LEU A 36 5.850 9.598 -4.681 1.00 0.00 O ATOM 508 CB LEU A 36 7.645 6.856 -5.834 1.00 0.00 C ATOM 509 CG LEU A 36 7.622 7.487 -7.237 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.172 6.453 -8.217 1.00 0.00 C ATOM 511 CD2 LEU A 36 6.223 7.858 -7.724 1.00 0.00 C ATOM 0 H LEU A 36 7.235 6.161 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 36 8.055 8.670 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.608 6.361 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.881 6.079 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 36 8.209 8.404 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.170 6.869 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.192 6.191 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.548 5.560 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.289 8.297 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.602 6.963 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.778 8.579 -7.038 1.00 0.00 H new ATOM 523 N ASP A 37 4.987 7.550 -4.317 1.00 0.00 N ATOM 524 CA ASP A 37 3.563 7.915 -4.180 1.00 0.00 C ATOM 525 C ASP A 37 2.769 6.756 -3.544 1.00 0.00 C ATOM 526 O ASP A 37 3.140 5.593 -3.746 1.00 0.00 O ATOM 527 CB ASP A 37 2.925 8.187 -5.558 1.00 0.00 C ATOM 528 CG ASP A 37 3.127 9.605 -6.090 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.778 10.589 -5.390 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.519 9.745 -7.269 1.00 0.00 O ATOM 0 H ASP A 37 5.136 6.546 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 37 3.524 8.808 -3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.338 7.481 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.855 7.988 -5.493 1.00 0.00 H new ATOM 535 N ALA A 38 1.636 7.037 -2.878 1.00 0.00 N ATOM 536 CA ALA A 38 0.666 6.024 -2.456 1.00 0.00 C ATOM 537 C ALA A 38 -0.799 6.481 -2.635 1.00 0.00 C ATOM 538 O ALA A 38 -1.119 7.663 -2.466 1.00 0.00 O ATOM 539 CB ALA A 38 0.964 5.643 -1.001 1.00 0.00 C ATOM 0 H ALA A 38 1.369 7.986 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 38 0.774 5.151 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.251 4.889 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.975 5.243 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.878 6.527 -0.369 1.00 0.00 H new ATOM 545 N LYS A 39 -1.699 5.537 -2.937 1.00 0.00 N ATOM 546 CA LYS A 39 -3.159 5.716 -3.104 1.00 0.00 C ATOM 547 C LYS A 39 -3.901 5.230 -1.859 1.00 0.00 C ATOM 548 O LYS A 39 -3.477 4.275 -1.218 1.00 0.00 O ATOM 549 CB LYS A 39 -3.631 4.970 -4.376 1.00 0.00 C ATOM 550 CG LYS A 39 -5.150 4.896 -4.673 1.00 0.00 C ATOM 551 CD LYS A 39 -5.749 6.283 -4.952 1.00 0.00 C ATOM 552 CE LYS A 39 -7.210 6.168 -5.399 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.784 7.496 -5.711 1.00 0.00 N ATOM 0 H LYS A 39 -1.417 4.567 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.385 6.775 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.149 5.440 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.255 3.949 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.320 4.248 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.664 4.443 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.687 6.898 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.167 6.786 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.274 5.526 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.796 5.692 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.774 7.385 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.744 8.099 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.238 7.939 -6.478 1.00 0.00 H new ATOM 567 N ILE A 40 -5.050 5.834 -1.582 1.00 0.00 N ATOM 568 CA ILE A 40 -6.106 5.318 -0.705 1.00 0.00 C ATOM 569 C ILE A 40 -7.450 5.441 -1.434 1.00 0.00 C ATOM 570 O ILE A 40 -7.630 6.379 -2.213 1.00 0.00 O ATOM 571 CB ILE A 40 -6.070 6.043 0.660 1.00 0.00 C ATOM 572 CG1 ILE A 40 -7.138 5.506 1.638 1.00 0.00 C ATOM 573 CG2 ILE A 40 -6.103 7.579 0.536 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.480 6.260 1.702 1.00 0.00 C ATOM 0 H ILE A 40 -5.287 6.743 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.950 4.262 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.099 5.806 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.346 4.469 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.706 5.500 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.075 8.025 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.239 7.916 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.018 7.883 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.135 5.777 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.303 7.292 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.953 6.245 0.720 1.00 0.00 H new ATOM 586 N ILE A 41 -8.377 4.499 -1.225 1.00 0.00 N ATOM 587 CA ILE A 41 -9.698 4.532 -1.881 1.00 0.00 C ATOM 588 C ILE A 41 -10.892 4.291 -0.941 1.00 0.00 C ATOM 589 O ILE A 41 -10.880 3.451 -0.035 1.00 0.00 O ATOM 590 CB ILE A 41 -9.684 3.663 -3.156 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.927 3.827 -4.059 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.424 2.183 -2.853 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.069 5.235 -4.653 1.00 0.00 C ATOM 0 H ILE A 41 -8.240 3.700 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.876 5.559 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.842 4.050 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.875 3.102 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.821 3.593 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.424 1.616 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.456 2.076 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.207 1.803 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.962 5.279 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.153 5.963 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.193 5.464 -5.259 1.00 0.00 H new ATOM 715 N SER A 49 -15.293 3.374 3.370 1.00 0.00 N ATOM 716 CA SER A 49 -13.898 3.010 3.063 1.00 0.00 C ATOM 717 C SER A 49 -13.857 1.720 2.241 1.00 0.00 C ATOM 718 O SER A 49 -14.643 0.801 2.503 1.00 0.00 O ATOM 719 CB SER A 49 -13.049 2.872 4.334 1.00 0.00 C ATOM 720 OG SER A 49 -13.269 3.996 5.163 1.00 0.00 O ATOM 0 HA SER A 49 -13.466 3.819 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.312 1.957 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.993 2.797 4.074 1.00 0.00 H new ATOM 0 HG SER A 49 -14.184 4.322 5.036 1.00 0.00 H new ATOM 726 N ARG A 50 -12.948 1.627 1.257 1.00 0.00 N ATOM 727 CA ARG A 50 -12.647 0.356 0.564 1.00 0.00 C ATOM 728 C ARG A 50 -11.504 -0.402 1.256 1.00 0.00 C ATOM 729 O ARG A 50 -11.456 -1.629 1.214 1.00 0.00 O ATOM 730 CB ARG A 50 -12.389 0.582 -0.940 1.00 0.00 C ATOM 731 CG ARG A 50 -13.497 1.379 -1.659 1.00 0.00 C ATOM 732 CD ARG A 50 -13.737 0.945 -3.115 1.00 0.00 C ATOM 733 NE ARG A 50 -14.450 -0.348 -3.216 1.00 0.00 N ATOM 734 CZ ARG A 50 -15.754 -0.570 -3.210 1.00 0.00 C ATOM 735 NH1 ARG A 50 -16.662 0.354 -3.127 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.212 -1.778 -3.314 1.00 0.00 N ATOM 0 H ARG A 50 -12.404 2.421 0.919 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.528 -0.282 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.442 1.109 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.279 -0.386 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.427 1.272 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.236 2.437 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.314 1.714 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.779 0.868 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.859 -1.175 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.388 1.334 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.650 0.100 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.566 -2.563 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.218 -1.944 -3.309 1.00 0.00 H new ATOM 750 N GLY A 51 -10.628 0.324 1.954 1.00 0.00 N ATOM 751 CA GLY A 51 -9.639 -0.220 2.896 1.00 0.00 C ATOM 752 C GLY A 51 -8.326 -0.680 2.255 1.00 0.00 C ATOM 753 O GLY A 51 -7.574 -1.462 2.837 1.00 0.00 O ATOM 0 H GLY A 51 -10.584 1.340 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.415 0.540 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.085 -1.064 3.422 1.00 0.00 H new ATOM 757 N PHE A 52 -8.029 -0.204 1.048 1.00 0.00 N ATOM 758 CA PHE A 52 -6.830 -0.566 0.298 1.00 0.00 C ATOM 759 C PHE A 52 -6.284 0.612 -0.517 1.00 0.00 C ATOM 760 O PHE A 52 -6.879 1.691 -0.591 1.00 0.00 O ATOM 761 CB PHE A 52 -7.098 -1.815 -0.565 1.00 0.00 C ATOM 762 CG PHE A 52 -8.283 -1.747 -1.509 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.163 -1.118 -2.762 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.500 -2.355 -1.151 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.256 -1.089 -3.643 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.597 -2.318 -2.028 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.477 -1.680 -3.276 1.00 0.00 C ATOM 0 H PHE A 52 -8.628 0.458 0.554 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.044 -0.820 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.204 -2.020 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.242 -2.665 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.229 -0.657 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.592 -2.853 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.158 -0.611 -4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.532 -2.779 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.320 -1.645 -3.950 1.00 0.00 H new ATOM 777 N GLY A 53 -5.113 0.386 -1.104 1.00 0.00 N ATOM 778 CA GLY A 53 -4.355 1.355 -1.875 1.00 0.00 C ATOM 779 C GLY A 53 -3.352 0.716 -2.833 1.00 0.00 C ATOM 780 O GLY A 53 -3.268 -0.508 -2.975 1.00 0.00 O ATOM 0 H GLY A 53 -4.649 -0.521 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.046 1.976 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.823 2.016 -1.191 1.00 0.00 H new ATOM 784 N PHE A 54 -2.600 1.573 -3.513 1.00 0.00 N ATOM 785 CA PHE A 54 -1.344 1.241 -4.184 1.00 0.00 C ATOM 786 C PHE A 54 -0.178 2.001 -3.533 1.00 0.00 C ATOM 787 O PHE A 54 -0.402 3.012 -2.867 1.00 0.00 O ATOM 788 CB PHE A 54 -1.446 1.535 -5.686 1.00 0.00 C ATOM 789 CG PHE A 54 -2.503 0.742 -6.433 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.364 -0.650 -6.586 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.613 1.397 -7.004 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.323 -1.384 -7.309 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.565 0.666 -7.736 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.418 -0.723 -7.894 1.00 0.00 C ATOM 0 H PHE A 54 -2.855 2.555 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.149 0.174 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.652 2.597 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.477 1.339 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.518 -1.157 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.732 2.463 -6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.218 -2.454 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.411 1.172 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.145 -1.282 -8.464 1.00 0.00 H new ATOM 804 N VAL A 55 1.058 1.554 -3.748 1.00 0.00 N ATOM 805 CA VAL A 55 2.289 2.224 -3.290 1.00 0.00 C ATOM 806 C VAL A 55 3.445 1.974 -4.269 1.00 0.00 C ATOM 807 O VAL A 55 3.449 0.952 -4.960 1.00 0.00 O ATOM 808 CB VAL A 55 2.603 1.804 -1.839 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.831 0.301 -1.666 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.801 2.552 -1.250 1.00 0.00 C ATOM 0 H VAL A 55 1.244 0.691 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 55 2.141 3.304 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 55 1.701 2.078 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.046 0.084 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.936 -0.240 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.674 -0.013 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.974 2.215 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.687 2.352 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.597 3.623 -1.249 1.00 0.00 H new ATOM 820 N SER A 56 4.395 2.914 -4.373 1.00 0.00 N ATOM 821 CA SER A 56 5.466 2.900 -5.386 1.00 0.00 C ATOM 822 C SER A 56 6.827 3.411 -4.882 1.00 0.00 C ATOM 823 O SER A 56 6.890 4.233 -3.963 1.00 0.00 O ATOM 824 CB SER A 56 4.994 3.703 -6.599 1.00 0.00 C ATOM 825 OG SER A 56 5.840 3.539 -7.719 1.00 0.00 O ATOM 0 H SER A 56 4.444 3.718 -3.748 1.00 0.00 H new ATOM 0 HA SER A 56 5.647 1.859 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.983 3.395 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.947 4.760 -6.335 1.00 0.00 H new ATOM 0 HG SER A 56 6.168 2.616 -7.749 1.00 0.00 H new ATOM 831 N PHE A 57 7.913 2.938 -5.508 1.00 0.00 N ATOM 832 CA PHE A 57 9.320 3.140 -5.109 1.00 0.00 C ATOM 833 C PHE A 57 10.212 3.721 -6.233 1.00 0.00 C ATOM 834 O PHE A 57 9.858 3.712 -7.416 1.00 0.00 O ATOM 835 CB PHE A 57 9.897 1.789 -4.644 1.00 0.00 C ATOM 836 CG PHE A 57 9.438 1.295 -3.284 1.00 0.00 C ATOM 837 CD1 PHE A 57 10.050 1.790 -2.116 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.460 0.287 -3.180 1.00 0.00 C ATOM 839 CE1 PHE A 57 9.707 1.270 -0.856 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.125 -0.243 -1.921 1.00 0.00 C ATOM 841 CZ PHE A 57 8.760 0.239 -0.761 1.00 0.00 C ATOM 0 H PHE A 57 7.833 2.373 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 57 9.323 3.878 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.641 1.034 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.984 1.867 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.788 2.575 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.967 -0.079 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.171 1.663 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.380 -1.021 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.518 -0.185 0.202 1.00 0.00 H new ATOM 851 N SER A 58 11.421 4.180 -5.881 1.00 0.00 N ATOM 852 CA SER A 58 12.469 4.585 -6.842 1.00 0.00 C ATOM 853 C SER A 58 13.246 3.414 -7.480 1.00 0.00 C ATOM 854 O SER A 58 13.876 3.607 -8.527 1.00 0.00 O ATOM 855 CB SER A 58 13.458 5.554 -6.179 1.00 0.00 C ATOM 856 OG SER A 58 14.244 4.879 -5.215 1.00 0.00 O ATOM 0 H SER A 58 11.707 4.284 -4.908 1.00 0.00 H new ATOM 0 HA SER A 58 11.934 5.074 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.104 5.998 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.913 6.371 -5.705 1.00 0.00 H new ATOM 0 HG SER A 58 14.972 5.464 -4.919 1.00 0.00 H new ATOM 862 N ASN A 59 13.218 2.216 -6.877 1.00 0.00 N ATOM 863 CA ASN A 59 13.943 1.020 -7.329 1.00 0.00 C ATOM 864 C ASN A 59 13.210 -0.302 -7.019 1.00 0.00 C ATOM 865 O ASN A 59 12.379 -0.392 -6.116 1.00 0.00 O ATOM 866 CB ASN A 59 15.340 0.980 -6.669 1.00 0.00 C ATOM 867 CG ASN A 59 16.362 1.910 -7.290 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.931 2.778 -6.646 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.680 1.713 -8.544 1.00 0.00 N ATOM 0 H ASN A 59 12.671 2.048 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 59 14.018 1.100 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.235 1.231 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.721 -0.040 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.402 2.284 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.205 0.988 -9.083 1.00 0.00 H new ATOM 876 N GLU A 60 13.624 -1.362 -7.720 1.00 0.00 N ATOM 877 CA GLU A 60 13.186 -2.754 -7.527 1.00 0.00 C ATOM 878 C GLU A 60 13.578 -3.324 -6.152 1.00 0.00 C ATOM 879 O GLU A 60 12.841 -4.121 -5.575 1.00 0.00 O ATOM 880 CB GLU A 60 13.817 -3.591 -8.659 1.00 0.00 C ATOM 881 CG GLU A 60 13.526 -5.100 -8.606 1.00 0.00 C ATOM 882 CD GLU A 60 14.005 -5.781 -9.893 1.00 0.00 C ATOM 883 OE1 GLU A 60 13.301 -5.676 -10.926 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.109 -6.375 -9.925 1.00 0.00 O ATOM 0 H GLU A 60 14.306 -1.272 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 60 12.097 -2.791 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.463 -3.204 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.897 -3.446 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.026 -5.543 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.457 -5.266 -8.475 1.00 0.00 H new ATOM 891 N GLN A 61 14.728 -2.913 -5.608 1.00 0.00 N ATOM 892 CA GLN A 61 15.329 -3.546 -4.428 1.00 0.00 C ATOM 893 C GLN A 61 14.493 -3.345 -3.156 1.00 0.00 C ATOM 894 O GLN A 61 14.145 -4.325 -2.494 1.00 0.00 O ATOM 895 CB GLN A 61 16.771 -3.039 -4.242 1.00 0.00 C ATOM 896 CG GLN A 61 17.677 -3.289 -5.462 1.00 0.00 C ATOM 897 CD GLN A 61 17.818 -4.760 -5.843 1.00 0.00 C ATOM 898 OE1 GLN A 61 17.638 -5.671 -5.043 1.00 0.00 O ATOM 899 NE2 GLN A 61 18.167 -5.046 -7.073 1.00 0.00 N ATOM 0 H GLN A 61 15.270 -2.130 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 61 15.350 -4.622 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.747 -1.970 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.208 -3.525 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.278 -2.740 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.667 -2.882 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.319 -4.296 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.286 -6.019 -7.356 1.00 0.00 H new ATOM 908 N ALA A 62 14.094 -2.102 -2.860 1.00 0.00 N ATOM 909 CA ALA A 62 13.185 -1.800 -1.752 1.00 0.00 C ATOM 910 C ALA A 62 11.785 -2.398 -1.964 1.00 0.00 C ATOM 911 O ALA A 62 11.161 -2.830 -0.999 1.00 0.00 O ATOM 912 CB ALA A 62 13.105 -0.284 -1.566 1.00 0.00 C ATOM 0 H ALA A 62 14.393 -1.279 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 62 13.585 -2.262 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.429 -0.054 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.097 0.108 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.731 0.176 -2.481 1.00 0.00 H new ATOM 918 N MET A 63 11.313 -2.492 -3.213 1.00 0.00 N ATOM 919 CA MET A 63 10.033 -3.131 -3.531 1.00 0.00 C ATOM 920 C MET A 63 10.058 -4.632 -3.195 1.00 0.00 C ATOM 921 O MET A 63 9.190 -5.105 -2.465 1.00 0.00 O ATOM 922 CB MET A 63 9.666 -2.825 -4.995 1.00 0.00 C ATOM 923 CG MET A 63 8.284 -3.342 -5.414 1.00 0.00 C ATOM 924 SD MET A 63 8.234 -5.096 -5.884 1.00 0.00 S ATOM 925 CE MET A 63 6.488 -5.258 -6.338 1.00 0.00 C ATOM 0 H MET A 63 11.807 -2.128 -4.028 1.00 0.00 H new ATOM 0 HA MET A 63 9.242 -2.717 -2.905 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.701 -1.747 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.420 -3.265 -5.647 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.587 -3.181 -4.591 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.928 -2.745 -6.254 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.295 -6.273 -6.687 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.865 -5.049 -5.468 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.252 -4.550 -7.133 1.00 0.00 H new ATOM 935 N GLN A 64 11.081 -5.378 -3.624 1.00 0.00 N ATOM 936 CA GLN A 64 11.176 -6.818 -3.357 1.00 0.00 C ATOM 937 C GLN A 64 11.495 -7.117 -1.886 1.00 0.00 C ATOM 938 O GLN A 64 10.951 -8.079 -1.336 1.00 0.00 O ATOM 939 CB GLN A 64 12.216 -7.476 -4.275 1.00 0.00 C ATOM 940 CG GLN A 64 11.744 -7.536 -5.738 1.00 0.00 C ATOM 941 CD GLN A 64 12.684 -8.337 -6.640 1.00 0.00 C ATOM 942 OE1 GLN A 64 13.905 -8.261 -6.565 1.00 0.00 O ATOM 943 NE2 GLN A 64 12.161 -9.150 -7.528 1.00 0.00 N ATOM 0 H GLN A 64 11.862 -5.004 -4.163 1.00 0.00 H new ATOM 0 HA GLN A 64 10.196 -7.245 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.151 -6.919 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.424 -8.485 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.749 -7.980 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.655 -6.521 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.148 -9.231 -7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.768 -9.700 -8.136 1.00 0.00 H new ATOM 952 N ASP A 65 12.315 -6.279 -1.238 1.00 0.00 N ATOM 953 CA ASP A 65 12.582 -6.345 0.205 1.00 0.00 C ATOM 954 C ASP A 65 11.333 -6.023 1.040 1.00 0.00 C ATOM 955 O ASP A 65 11.146 -6.605 2.113 1.00 0.00 O ATOM 956 CB ASP A 65 13.736 -5.387 0.552 1.00 0.00 C ATOM 957 CG ASP A 65 14.181 -5.502 2.012 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.537 -6.626 2.443 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.197 -4.479 2.733 1.00 0.00 O ATOM 0 H ASP A 65 12.818 -5.526 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 65 12.868 -7.367 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.584 -5.596 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.425 -4.362 0.351 1.00 0.00 H new ATOM 964 N ALA A 66 10.446 -5.159 0.531 1.00 0.00 N ATOM 965 CA ALA A 66 9.145 -4.920 1.145 1.00 0.00 C ATOM 966 C ALA A 66 8.244 -6.152 0.981 1.00 0.00 C ATOM 967 O ALA A 66 7.867 -6.740 1.985 1.00 0.00 O ATOM 968 CB ALA A 66 8.519 -3.627 0.607 1.00 0.00 C ATOM 0 H ALA A 66 10.614 -4.612 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 66 9.271 -4.769 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.549 -3.469 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.174 -2.785 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.389 -3.707 -0.472 1.00 0.00 H new ATOM 974 N ILE A 67 7.941 -6.605 -0.242 1.00 0.00 N ATOM 975 CA ILE A 67 7.049 -7.758 -0.510 1.00 0.00 C ATOM 976 C ILE A 67 7.471 -9.032 0.265 1.00 0.00 C ATOM 977 O ILE A 67 6.606 -9.732 0.809 1.00 0.00 O ATOM 978 CB ILE A 67 6.931 -7.993 -2.041 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.352 -6.777 -2.808 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.073 -9.221 -2.398 1.00 0.00 C ATOM 981 CD1 ILE A 67 4.894 -6.416 -2.510 1.00 0.00 C ATOM 0 H ILE A 67 8.311 -6.179 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 67 6.056 -7.515 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 67 7.962 -8.160 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.971 -5.908 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.444 -6.971 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.029 -9.332 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.517 -10.115 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.065 -9.087 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.604 -5.551 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.252 -7.260 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.787 -6.180 -1.451 1.00 0.00 H new ATOM 993 N GLU A 68 8.783 -9.288 0.406 1.00 0.00 N ATOM 994 CA GLU A 68 9.346 -10.372 1.237 1.00 0.00 C ATOM 995 C GLU A 68 8.876 -10.314 2.710 1.00 0.00 C ATOM 996 O GLU A 68 8.464 -11.337 3.272 1.00 0.00 O ATOM 997 CB GLU A 68 10.889 -10.344 1.132 1.00 0.00 C ATOM 998 CG GLU A 68 11.568 -11.540 1.816 1.00 0.00 C ATOM 999 CD GLU A 68 13.091 -11.573 1.591 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.820 -10.702 2.127 1.00 0.00 O ATOM 1001 OE2 GLU A 68 13.596 -12.522 0.934 1.00 0.00 O ATOM 0 H GLU A 68 9.500 -8.736 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 68 8.971 -11.320 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.174 -10.326 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.260 -9.421 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.365 -11.504 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.130 -12.464 1.439 1.00 0.00 H new ATOM 1008 N GLY A 69 8.881 -9.126 3.326 1.00 0.00 N ATOM 1009 CA GLY A 69 8.441 -8.907 4.711 1.00 0.00 C ATOM 1010 C GLY A 69 6.955 -8.549 4.873 1.00 0.00 C ATOM 1011 O GLY A 69 6.383 -8.785 5.937 1.00 0.00 O ATOM 0 H GLY A 69 9.197 -8.272 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.647 -9.808 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.041 -8.107 5.144 1.00 0.00 H new ATOM 1015 N MET A 70 6.308 -8.005 3.840 1.00 0.00 N ATOM 1016 CA MET A 70 4.988 -7.365 3.935 1.00 0.00 C ATOM 1017 C MET A 70 3.828 -8.340 4.083 1.00 0.00 C ATOM 1018 O MET A 70 2.869 -7.983 4.760 1.00 0.00 O ATOM 1019 CB MET A 70 4.738 -6.436 2.732 1.00 0.00 C ATOM 1020 CG MET A 70 5.384 -5.059 2.939 1.00 0.00 C ATOM 1021 SD MET A 70 4.714 -4.090 4.320 1.00 0.00 S ATOM 1022 CE MET A 70 6.001 -2.816 4.425 1.00 0.00 C ATOM 0 H MET A 70 6.692 -7.995 2.895 1.00 0.00 H new ATOM 0 HA MET A 70 5.020 -6.783 4.856 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.139 -6.894 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.665 -6.316 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.453 -5.198 3.099 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.271 -4.481 2.022 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.732 -2.090 5.192 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.953 -3.281 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.092 -2.311 3.463 1.00 0.00 H new ATOM 1032 N ASN A 71 3.882 -9.551 3.508 1.00 0.00 N ATOM 1033 CA ASN A 71 2.747 -10.486 3.633 1.00 0.00 C ATOM 1034 C ASN A 71 2.375 -10.757 5.112 1.00 0.00 C ATOM 1035 O ASN A 71 3.126 -11.413 5.843 1.00 0.00 O ATOM 1036 CB ASN A 71 3.052 -11.791 2.881 1.00 0.00 C ATOM 1037 CG ASN A 71 1.834 -12.702 2.750 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.694 -12.323 2.985 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.031 -13.930 2.347 1.00 0.00 N ATOM 0 H ASN A 71 4.673 -9.901 2.967 1.00 0.00 H new ATOM 0 HA ASN A 71 1.875 -10.018 3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.428 -11.551 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.846 -12.327 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.239 -14.562 2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.977 -14.256 2.148 1.00 0.00 H new ATOM 1046 N GLY A 72 1.227 -10.241 5.559 1.00 0.00 N ATOM 1047 CA GLY A 72 0.723 -10.364 6.930 1.00 0.00 C ATOM 1048 C GLY A 72 1.339 -9.413 7.969 1.00 0.00 C ATOM 1049 O GLY A 72 1.033 -9.561 9.154 1.00 0.00 O ATOM 0 H GLY A 72 0.601 -9.708 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.355 -10.202 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.887 -11.389 7.264 1.00 0.00 H new ATOM 1053 N LYS A 73 2.192 -8.444 7.593 1.00 0.00 N ATOM 1054 CA LYS A 73 2.797 -7.500 8.561 1.00 0.00 C ATOM 1055 C LYS A 73 1.722 -6.619 9.204 1.00 0.00 C ATOM 1056 O LYS A 73 0.794 -6.181 8.532 1.00 0.00 O ATOM 1057 CB LYS A 73 3.912 -6.659 7.909 1.00 0.00 C ATOM 1058 CG LYS A 73 4.849 -6.049 8.970 1.00 0.00 C ATOM 1059 CD LYS A 73 6.107 -5.413 8.352 1.00 0.00 C ATOM 1060 CE LYS A 73 7.215 -5.168 9.389 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.817 -4.209 10.447 1.00 0.00 N ATOM 0 H LYS A 73 2.481 -8.291 6.627 1.00 0.00 H new ATOM 0 HA LYS A 73 3.264 -8.084 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.489 -7.283 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.467 -5.862 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.306 -5.294 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.147 -6.825 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.489 -6.063 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.838 -4.467 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.489 -6.117 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.103 -4.792 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.603 -4.084 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.582 -3.293 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.986 -4.576 10.954 1.00 0.00 H new ATOM 1075 N GLU A 74 1.833 -6.363 10.505 1.00 0.00 N ATOM 1076 CA GLU A 74 0.852 -5.559 11.243 1.00 0.00 C ATOM 1077 C GLU A 74 1.107 -4.046 11.080 1.00 0.00 C ATOM 1078 O GLU A 74 1.942 -3.465 11.775 1.00 0.00 O ATOM 1079 CB GLU A 74 0.737 -6.012 12.711 1.00 0.00 C ATOM 1080 CG GLU A 74 2.049 -6.136 13.505 1.00 0.00 C ATOM 1081 CD GLU A 74 2.702 -7.515 13.375 1.00 0.00 C ATOM 1082 OE1 GLU A 74 3.460 -7.742 12.398 1.00 0.00 O ATOM 1083 OE2 GLU A 74 2.470 -8.378 14.254 1.00 0.00 O ATOM 0 H GLU A 74 2.603 -6.705 11.080 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.127 -5.738 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.089 -5.308 13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.236 -6.980 12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.749 -5.375 13.160 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.851 -5.932 14.557 1.00 0.00 H new ATOM 1090 N LEU A 75 0.379 -3.396 10.170 1.00 0.00 N ATOM 1091 CA LEU A 75 0.413 -1.950 9.907 1.00 0.00 C ATOM 1092 C LEU A 75 -0.907 -1.307 10.358 1.00 0.00 C ATOM 1093 O LEU A 75 -1.982 -1.844 10.100 1.00 0.00 O ATOM 1094 CB LEU A 75 0.681 -1.690 8.409 1.00 0.00 C ATOM 1095 CG LEU A 75 2.160 -1.480 8.029 1.00 0.00 C ATOM 1096 CD1 LEU A 75 3.069 -2.652 8.388 1.00 0.00 C ATOM 1097 CD2 LEU A 75 2.283 -1.271 6.520 1.00 0.00 C ATOM 0 H LEU A 75 -0.283 -3.884 9.566 1.00 0.00 H new ATOM 0 HA LEU A 75 1.224 -1.496 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.292 -2.532 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.116 -0.809 8.104 1.00 0.00 H new ATOM 0 HG LEU A 75 2.481 -0.610 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.092 -2.424 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.036 -2.822 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.729 -3.548 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.330 -1.123 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.898 -2.148 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.708 -0.393 6.226 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.837 -0.165 11.045 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.008 0.512 11.651 1.00 0.00 C ATOM 1111 C ASP A 76 -2.869 -0.424 12.540 1.00 0.00 C ATOM 1112 O ASP A 76 -4.088 -0.267 12.647 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.820 1.261 10.567 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.722 2.370 11.137 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.184 3.361 11.678 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.967 2.315 10.980 1.00 0.00 O ATOM 0 H ASP A 76 0.041 0.330 11.204 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.632 1.261 12.348 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.131 1.699 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.437 0.544 10.025 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.256 -1.445 13.160 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.946 -2.466 13.966 1.00 0.00 C ATOM 1123 C GLY A 77 -3.732 -3.521 13.167 1.00 0.00 C ATOM 1124 O GLY A 77 -4.601 -4.193 13.735 1.00 0.00 O ATOM 0 H GLY A 77 -1.247 -1.587 13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.207 -2.978 14.582 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.634 -1.963 14.646 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.463 -3.664 11.860 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.102 -4.616 10.936 1.00 0.00 C ATOM 1130 C ARG A 78 -3.068 -5.382 10.108 1.00 0.00 C ATOM 1131 O ARG A 78 -2.043 -4.829 9.722 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.045 -3.835 10.004 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.206 -3.158 10.744 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.239 -4.187 11.217 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.347 -3.544 11.940 1.00 0.00 N ATOM 1136 CZ ARG A 78 -8.489 -3.421 13.246 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -7.599 -3.840 14.103 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.560 -2.851 13.706 1.00 0.00 N ATOM 0 H ARG A 78 -2.759 -3.091 11.395 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.660 -5.349 11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.472 -3.077 9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.449 -4.515 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.821 -2.605 11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.686 -2.433 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.631 -4.732 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.756 -4.918 11.865 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.091 -3.148 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.744 -4.287 13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.758 -3.720 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.272 -2.508 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.690 -2.746 14.712 1.00 0.00 H new ATOM 1152 N SER A 79 -3.340 -6.646 9.795 1.00 0.00 N ATOM 1153 CA SER A 79 -2.496 -7.443 8.894 1.00 0.00 C ATOM 1154 C SER A 79 -2.607 -6.950 7.449 1.00 0.00 C ATOM 1155 O SER A 79 -3.715 -6.821 6.922 1.00 0.00 O ATOM 1156 CB SER A 79 -2.814 -8.940 9.007 1.00 0.00 C ATOM 1157 OG SER A 79 -4.158 -9.274 8.674 1.00 0.00 O ATOM 0 H SER A 79 -4.150 -7.151 10.156 1.00 0.00 H new ATOM 0 HA SER A 79 -1.460 -7.308 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.140 -9.494 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.611 -9.268 10.026 1.00 0.00 H new ATOM 0 HG SER A 79 -4.485 -8.664 7.980 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.470 -6.662 6.808 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.429 -6.134 5.439 1.00 0.00 C ATOM 1165 C ILE A 80 -1.251 -7.229 4.380 1.00 0.00 C ATOM 1166 O ILE A 80 -0.559 -8.227 4.590 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.441 -4.952 5.329 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.826 -4.020 4.159 1.00 0.00 C ATOM 1169 CG2 ILE A 80 1.022 -5.406 5.211 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.166 -2.643 4.256 1.00 0.00 C ATOM 0 H ILE A 80 -0.548 -6.789 7.225 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.410 -5.718 5.209 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.518 -4.393 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.540 -4.489 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.909 -3.898 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.669 -4.532 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.295 -5.986 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.141 -6.022 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.473 -2.032 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.472 -2.157 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.918 -2.758 4.247 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.887 -7.026 3.227 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.899 -7.946 2.080 1.00 0.00 C ATOM 1184 C VAL A 81 -1.253 -7.249 0.892 1.00 0.00 C ATOM 1185 O VAL A 81 -1.564 -6.087 0.624 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.336 -8.403 1.764 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.412 -9.277 0.508 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.898 -9.228 2.929 1.00 0.00 C ATOM 0 H VAL A 81 -2.432 -6.181 3.055 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.328 -8.844 2.315 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.915 -7.494 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.447 -9.571 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.043 -8.714 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.800 -10.168 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.914 -9.545 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.272 -10.106 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.908 -8.620 3.834 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.351 -7.945 0.194 1.00 0.00 N ATOM 1199 CA VAL A 82 0.520 -7.364 -0.843 1.00 0.00 C ATOM 1200 C VAL A 82 0.576 -8.189 -2.138 1.00 0.00 C ATOM 1201 O VAL A 82 0.659 -9.417 -2.116 1.00 0.00 O ATOM 1202 CB VAL A 82 1.938 -7.080 -0.331 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.926 -5.866 0.604 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.615 -8.277 0.347 1.00 0.00 C ATOM 0 H VAL A 82 -0.200 -8.944 0.333 1.00 0.00 H new ATOM 0 HA VAL A 82 0.049 -6.413 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 82 2.541 -6.867 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.937 -5.673 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.560 -4.994 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.273 -6.067 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.613 -7.991 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.023 -8.591 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.691 -9.101 -0.362 1.00 0.00 H new ATOM 1214 N ASN A 83 0.606 -7.506 -3.285 1.00 0.00 N ATOM 1215 CA ASN A 83 0.991 -8.077 -4.588 1.00 0.00 C ATOM 1216 C ASN A 83 1.514 -6.985 -5.529 1.00 0.00 C ATOM 1217 O ASN A 83 1.182 -5.815 -5.361 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.178 -8.846 -5.246 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.471 -8.053 -5.391 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.400 -8.189 -4.603 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.593 -7.200 -6.383 1.00 0.00 N ATOM 0 H ASN A 83 0.359 -6.518 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 83 1.793 -8.792 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.138 -9.181 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.382 -9.740 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.453 -6.661 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.828 -7.076 -7.046 1.00 0.00 H new ATOM 1228 N GLU A 84 2.269 -7.345 -6.565 1.00 0.00 N ATOM 1229 CA GLU A 84 2.630 -6.420 -7.645 1.00 0.00 C ATOM 1230 C GLU A 84 1.369 -5.878 -8.347 1.00 0.00 C ATOM 1231 O GLU A 84 0.360 -6.585 -8.453 1.00 0.00 O ATOM 1232 CB GLU A 84 3.595 -7.084 -8.646 1.00 0.00 C ATOM 1233 CG GLU A 84 2.997 -8.224 -9.496 1.00 0.00 C ATOM 1234 CD GLU A 84 2.231 -7.787 -10.762 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.495 -6.704 -11.336 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.355 -8.563 -11.220 1.00 0.00 O ATOM 0 H GLU A 84 2.649 -8.284 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 84 3.153 -5.571 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.977 -6.316 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.449 -7.477 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.805 -8.891 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.321 -8.804 -8.868 1.00 0.00 H new ATOM 1243 N ALA A 85 1.411 -4.625 -8.811 1.00 0.00 N ATOM 1244 CA ALA A 85 0.274 -3.951 -9.440 1.00 0.00 C ATOM 1245 C ALA A 85 0.542 -3.483 -10.883 1.00 0.00 C ATOM 1246 O ALA A 85 -0.359 -2.930 -11.512 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.164 -2.798 -8.528 1.00 0.00 C ATOM 0 H ALA A 85 2.248 -4.044 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.535 -4.674 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.012 -2.280 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.455 -3.194 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.663 -2.099 -8.403 1.00 0.00 H new