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 Set 1.1: A 17 SER OG : rot 180:sc= 0.436 USER MOD Set 1.2: A 20 THR OG1 : rot -85:sc= 1.73 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 160:sc= -0.183 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) 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 -24:sc= 0.186 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.877 K(o=0.88,f=-0.014) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -155:sc= -0.129 (180deg=-0.261) USER MOD Single : A 64 GLN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 70 MET CE :methyl -163:sc= 0 (180deg=-0.547) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.42) 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= 0.107 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.657 -0.024 -10.447 1.00 0.00 N ATOM 101 CA TYR A 9 7.801 -0.873 -9.258 1.00 0.00 C ATOM 102 C TYR A 9 6.742 -0.443 -8.228 1.00 0.00 C ATOM 103 O TYR A 9 7.008 0.279 -7.261 1.00 0.00 O ATOM 104 CB TYR A 9 9.265 -0.892 -8.735 1.00 0.00 C ATOM 105 CG TYR A 9 10.322 -0.185 -9.575 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.547 -0.564 -10.914 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.069 0.871 -9.021 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.459 0.154 -11.714 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.002 1.570 -9.810 1.00 0.00 C ATOM 110 CZ TYR A 9 12.195 1.220 -11.161 1.00 0.00 C ATOM 111 OH TYR A 9 13.073 1.906 -11.939 1.00 0.00 O ATOM 0 HA TYR A 9 7.609 -1.918 -9.500 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.273 -0.446 -7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.568 -1.933 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.018 -1.409 -11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.926 1.146 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.593 -0.114 -12.752 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.573 2.379 -9.378 1.00 0.00 H new ATOM 0 HH TYR A 9 13.499 2.611 -11.408 1.00 0.00 H new ATOM 121 N ARG A 10 5.506 -0.903 -8.470 1.00 0.00 N ATOM 122 CA ARG A 10 4.307 -0.597 -7.671 1.00 0.00 C ATOM 123 C ARG A 10 3.520 -1.854 -7.290 1.00 0.00 C ATOM 124 O ARG A 10 3.598 -2.872 -7.979 1.00 0.00 O ATOM 125 CB ARG A 10 3.418 0.450 -8.371 1.00 0.00 C ATOM 126 CG ARG A 10 2.856 0.014 -9.736 1.00 0.00 C ATOM 127 CD ARG A 10 1.728 0.933 -10.231 1.00 0.00 C ATOM 128 NE ARG A 10 2.104 2.363 -10.226 1.00 0.00 N ATOM 129 CZ ARG A 10 1.602 3.314 -9.454 1.00 0.00 C ATOM 130 NH1 ARG A 10 0.532 3.148 -8.729 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.183 4.472 -9.374 1.00 0.00 N ATOM 0 H ARG A 10 5.305 -1.521 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 10 4.653 -0.159 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.585 0.696 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.997 1.364 -8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.661 0.005 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.482 -1.007 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.446 0.641 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.849 0.792 -9.602 1.00 0.00 H new ATOM 0 HE ARG A 10 2.827 2.647 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.042 2.254 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.185 3.913 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.033 4.654 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.790 5.200 -8.777 1.00 0.00 H new ATOM 145 N CYS A 11 2.748 -1.784 -6.209 1.00 0.00 N ATOM 146 CA CYS A 11 1.995 -2.914 -5.651 1.00 0.00 C ATOM 147 C CYS A 11 0.682 -2.497 -4.970 1.00 0.00 C ATOM 148 O CYS A 11 0.528 -1.343 -4.570 1.00 0.00 O ATOM 149 CB CYS A 11 2.916 -3.691 -4.703 1.00 0.00 C ATOM 150 SG CYS A 11 3.373 -2.661 -3.270 1.00 0.00 S ATOM 0 H CYS A 11 2.623 -0.921 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 11 1.682 -3.558 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.416 -4.597 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.815 -4.004 -5.235 1.00 0.00 H new ATOM 0 HG CYS A 11 3.776 -3.424 -2.298 1.00 0.00 H new ATOM 156 N PHE A 12 -0.258 -3.439 -4.868 1.00 0.00 N ATOM 157 CA PHE A 12 -1.451 -3.365 -4.021 1.00 0.00 C ATOM 158 C PHE A 12 -1.096 -3.554 -2.537 1.00 0.00 C ATOM 159 O PHE A 12 -0.231 -4.360 -2.192 1.00 0.00 O ATOM 160 CB PHE A 12 -2.442 -4.480 -4.403 1.00 0.00 C ATOM 161 CG PHE A 12 -3.199 -4.319 -5.706 1.00 0.00 C ATOM 162 CD1 PHE A 12 -2.624 -4.745 -6.919 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.522 -3.835 -5.695 1.00 0.00 C ATOM 164 CE1 PHE A 12 -3.367 -4.692 -8.112 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.268 -3.790 -6.888 1.00 0.00 C ATOM 166 CZ PHE A 12 -4.694 -4.224 -8.095 1.00 0.00 C ATOM 0 H PHE A 12 -0.207 -4.311 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.892 -2.380 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.892 -5.420 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.171 -4.574 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.609 -5.114 -6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.965 -3.498 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.919 -5.011 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.283 -3.421 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.270 -4.198 -9.008 1.00 0.00 H new ATOM 176 N VAL A 13 -1.861 -2.884 -1.674 1.00 0.00 N ATOM 177 CA VAL A 13 -1.954 -3.121 -0.223 1.00 0.00 C ATOM 178 C VAL A 13 -3.417 -3.058 0.212 1.00 0.00 C ATOM 179 O VAL A 13 -4.176 -2.240 -0.307 1.00 0.00 O ATOM 180 CB VAL A 13 -1.152 -2.097 0.609 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.321 -2.487 0.734 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.246 -0.657 0.090 1.00 0.00 C ATOM 0 H VAL A 13 -2.466 -2.121 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.527 -4.107 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.624 -2.123 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.846 -1.738 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.400 -3.458 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.768 -2.543 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.655 -0.001 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.863 -0.612 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.287 -0.334 0.101 1.00 0.00 H new ATOM 192 N GLY A 14 -3.815 -3.867 1.195 1.00 0.00 N ATOM 193 CA GLY A 14 -5.138 -3.758 1.818 1.00 0.00 C ATOM 194 C GLY A 14 -5.144 -4.178 3.287 1.00 0.00 C ATOM 195 O GLY A 14 -4.681 -5.270 3.625 1.00 0.00 O ATOM 0 H GLY A 14 -3.235 -4.612 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.487 -2.728 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.845 -4.377 1.266 1.00 0.00 H new ATOM 199 N SER A 15 -5.620 -3.267 4.141 1.00 0.00 N ATOM 200 CA SER A 15 -5.614 -3.343 5.619 1.00 0.00 C ATOM 201 C SER A 15 -6.319 -2.157 6.298 1.00 0.00 C ATOM 202 O SER A 15 -6.692 -2.261 7.467 1.00 0.00 O ATOM 203 CB SER A 15 -4.175 -3.333 6.173 1.00 0.00 C ATOM 204 OG SER A 15 -3.403 -2.286 5.610 1.00 0.00 O ATOM 0 H SER A 15 -6.047 -2.403 3.807 1.00 0.00 H new ATOM 0 HA SER A 15 -6.141 -4.271 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.203 -3.222 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.698 -4.290 5.963 1.00 0.00 H new ATOM 0 HG SER A 15 -2.498 -2.309 5.985 1.00 0.00 H new ATOM 210 N LEU A 16 -6.474 -1.022 5.603 1.00 0.00 N ATOM 211 CA LEU A 16 -6.850 0.273 6.178 1.00 0.00 C ATOM 212 C LEU A 16 -8.269 0.268 6.762 1.00 0.00 C ATOM 213 O LEU A 16 -9.126 -0.541 6.389 1.00 0.00 O ATOM 214 CB LEU A 16 -6.748 1.393 5.119 1.00 0.00 C ATOM 215 CG LEU A 16 -5.553 1.381 4.165 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.685 2.597 3.258 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.220 1.454 4.888 1.00 0.00 C ATOM 0 H LEU A 16 -6.336 -0.980 4.593 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.148 0.461 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.655 1.364 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.745 2.348 5.644 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.564 0.442 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.848 2.623 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.620 2.535 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.682 3.504 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.410 1.442 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.171 2.375 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.121 0.598 5.555 1.00 0.00 H new ATOM 229 N SER A 17 -8.516 1.261 7.609 1.00 0.00 N ATOM 230 CA SER A 17 -9.804 1.580 8.238 1.00 0.00 C ATOM 231 C SER A 17 -10.314 2.940 7.754 1.00 0.00 C ATOM 232 O SER A 17 -9.608 3.662 7.048 1.00 0.00 O ATOM 233 CB SER A 17 -9.684 1.541 9.770 1.00 0.00 C ATOM 234 OG SER A 17 -9.142 2.744 10.287 1.00 0.00 O ATOM 0 H SER A 17 -7.781 1.908 7.896 1.00 0.00 H new ATOM 0 HA SER A 17 -10.532 0.824 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.667 1.368 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.053 0.702 10.064 1.00 0.00 H new ATOM 0 HG SER A 17 -9.082 2.683 11.263 1.00 0.00 H new ATOM 240 N TRP A 18 -11.510 3.346 8.179 1.00 0.00 N ATOM 241 CA TRP A 18 -12.012 4.717 8.039 1.00 0.00 C ATOM 242 C TRP A 18 -11.029 5.792 8.552 1.00 0.00 C ATOM 243 O TRP A 18 -11.046 6.914 8.043 1.00 0.00 O ATOM 244 CB TRP A 18 -13.368 4.805 8.759 1.00 0.00 C ATOM 245 CG TRP A 18 -13.421 4.296 10.177 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.691 3.020 10.542 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.266 5.033 11.432 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.688 2.910 11.918 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.462 4.128 12.519 1.00 0.00 C ATOM 250 CE3 TRP A 18 -13.013 6.381 11.766 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.435 4.541 13.861 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.987 6.810 13.108 1.00 0.00 C ATOM 253 CH2 TRP A 18 -13.207 5.897 14.154 1.00 0.00 C ATOM 0 H TRP A 18 -12.172 2.721 8.639 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.127 4.932 6.977 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.684 5.848 8.761 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.101 4.251 8.172 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.881 2.207 9.857 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.835 2.037 12.425 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.836 7.098 10.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.587 3.827 14.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.797 7.849 13.335 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.201 6.236 15.179 1.00 0.00 H new ATOM 264 N ASN A 19 -10.135 5.461 9.494 1.00 0.00 N ATOM 265 CA ASN A 19 -9.123 6.375 10.033 1.00 0.00 C ATOM 266 C ASN A 19 -7.709 6.190 9.434 1.00 0.00 C ATOM 267 O ASN A 19 -6.979 7.179 9.346 1.00 0.00 O ATOM 268 CB ASN A 19 -9.140 6.257 11.564 1.00 0.00 C ATOM 269 CG ASN A 19 -8.269 7.310 12.225 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.588 8.491 12.249 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.153 6.926 12.793 1.00 0.00 N ATOM 0 H ASN A 19 -10.096 4.531 9.910 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.386 7.389 9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.164 6.356 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.794 5.265 11.855 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.553 7.611 13.253 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.884 5.942 12.775 1.00 0.00 H new ATOM 278 N THR A 20 -7.301 4.992 8.990 1.00 0.00 N ATOM 279 CA THR A 20 -6.001 4.828 8.299 1.00 0.00 C ATOM 280 C THR A 20 -6.029 5.441 6.894 1.00 0.00 C ATOM 281 O THR A 20 -7.064 5.441 6.217 1.00 0.00 O ATOM 282 CB THR A 20 -5.515 3.371 8.163 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.191 2.464 9.002 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.006 3.226 8.372 1.00 0.00 C ATOM 0 H THR A 20 -7.838 4.131 9.092 1.00 0.00 H new ATOM 0 HA THR A 20 -5.300 5.352 8.949 1.00 0.00 H new ATOM 0 HB THR A 20 -5.755 3.112 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.766 2.456 9.885 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.723 2.179 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.477 3.823 7.630 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.742 3.572 9.371 1.00 0.00 H new ATOM 292 N ASP A 21 -4.882 5.934 6.426 1.00 0.00 N ATOM 293 CA ASP A 21 -4.751 6.570 5.114 1.00 0.00 C ATOM 294 C ASP A 21 -3.366 6.395 4.451 1.00 0.00 C ATOM 295 O ASP A 21 -2.475 5.747 5.006 1.00 0.00 O ATOM 296 CB ASP A 21 -5.129 8.060 5.247 1.00 0.00 C ATOM 297 CG ASP A 21 -4.071 8.907 5.969 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.724 8.614 7.140 1.00 0.00 O ATOM 299 OD2 ASP A 21 -3.609 9.908 5.376 1.00 0.00 O ATOM 0 H ASP A 21 -4.009 5.903 6.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.437 6.059 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.294 8.473 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.073 8.139 5.786 1.00 0.00 H new ATOM 304 N ASP A 22 -3.163 6.983 3.260 1.00 0.00 N ATOM 305 CA ASP A 22 -1.915 6.842 2.489 1.00 0.00 C ATOM 306 C ASP A 22 -0.673 7.318 3.256 1.00 0.00 C ATOM 307 O ASP A 22 0.400 6.733 3.115 1.00 0.00 O ATOM 308 CB ASP A 22 -1.963 7.592 1.143 1.00 0.00 C ATOM 309 CG ASP A 22 -2.217 9.100 1.262 1.00 0.00 C ATOM 310 OD1 ASP A 22 -3.297 9.510 1.750 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.366 9.879 0.774 1.00 0.00 O ATOM 0 H ASP A 22 -3.861 7.571 2.803 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.832 5.770 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.019 7.436 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.746 7.153 0.525 1.00 0.00 H new ATOM 316 N ARG A 23 -0.810 8.350 4.098 1.00 0.00 N ATOM 317 CA ARG A 23 0.303 8.899 4.885 1.00 0.00 C ATOM 318 C ARG A 23 0.821 7.918 5.939 1.00 0.00 C ATOM 319 O ARG A 23 2.028 7.895 6.186 1.00 0.00 O ATOM 320 CB ARG A 23 -0.140 10.225 5.521 1.00 0.00 C ATOM 321 CG ARG A 23 -0.435 11.342 4.509 1.00 0.00 C ATOM 322 CD ARG A 23 0.826 11.795 3.759 1.00 0.00 C ATOM 323 NE ARG A 23 0.533 12.911 2.848 1.00 0.00 N ATOM 324 CZ ARG A 23 0.368 14.180 3.166 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.479 14.637 4.377 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.070 15.046 2.250 1.00 0.00 N ATOM 0 H ARG A 23 -1.697 8.829 4.253 1.00 0.00 H new ATOM 0 HA ARG A 23 1.142 9.078 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.034 10.047 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.638 10.565 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.177 10.992 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.872 12.194 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.589 12.099 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.235 10.958 3.193 1.00 0.00 H new ATOM 0 HE ARG A 23 0.448 12.677 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.705 14.002 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.340 15.630 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.037 14.747 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.057 16.027 2.498 1.00 0.00 H new ATOM 340 N GLY A 24 -0.057 7.074 6.493 1.00 0.00 N ATOM 341 CA GLY A 24 0.299 6.005 7.430 1.00 0.00 C ATOM 342 C GLY A 24 1.076 4.870 6.759 1.00 0.00 C ATOM 343 O GLY A 24 2.105 4.444 7.291 1.00 0.00 O ATOM 0 H GLY A 24 -1.057 7.117 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.898 6.421 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.609 5.603 7.879 1.00 0.00 H new ATOM 347 N LEU A 25 0.640 4.438 5.566 1.00 0.00 N ATOM 348 CA LEU A 25 1.417 3.532 4.698 1.00 0.00 C ATOM 349 C LEU A 25 2.793 4.130 4.346 1.00 0.00 C ATOM 350 O LEU A 25 3.821 3.485 4.550 1.00 0.00 O ATOM 351 CB LEU A 25 0.643 3.210 3.398 1.00 0.00 C ATOM 352 CG LEU A 25 -0.714 2.505 3.559 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.403 2.470 2.192 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.525 1.075 4.076 1.00 0.00 C ATOM 0 H LEU A 25 -0.262 4.706 5.173 1.00 0.00 H new ATOM 0 HA LEU A 25 1.573 2.609 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.480 4.143 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.278 2.586 2.769 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.322 3.049 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.369 1.973 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.551 3.488 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.780 1.923 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.498 0.595 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.083 0.510 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.025 1.101 5.044 1.00 0.00 H new ATOM 366 N GLU A 26 2.826 5.378 3.863 1.00 0.00 N ATOM 367 CA GLU A 26 4.055 6.074 3.458 1.00 0.00 C ATOM 368 C GLU A 26 5.093 6.114 4.589 1.00 0.00 C ATOM 369 O GLU A 26 6.262 5.819 4.353 1.00 0.00 O ATOM 370 CB GLU A 26 3.711 7.501 2.989 1.00 0.00 C ATOM 371 CG GLU A 26 4.933 8.294 2.494 1.00 0.00 C ATOM 372 CD GLU A 26 4.577 9.760 2.231 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.671 10.581 3.176 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.210 10.105 1.085 1.00 0.00 O ATOM 0 H GLU A 26 1.985 5.943 3.740 1.00 0.00 H new ATOM 0 HA GLU A 26 4.502 5.517 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.975 7.444 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.245 8.043 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.730 8.239 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.317 7.841 1.580 1.00 0.00 H new ATOM 381 N ALA A 27 4.690 6.436 5.822 1.00 0.00 N ATOM 382 CA ALA A 27 5.640 6.609 6.918 1.00 0.00 C ATOM 383 C ALA A 27 6.279 5.297 7.406 1.00 0.00 C ATOM 384 O ALA A 27 7.420 5.323 7.879 1.00 0.00 O ATOM 385 CB ALA A 27 4.935 7.342 8.061 1.00 0.00 C ATOM 0 H ALA A 27 3.715 6.581 6.083 1.00 0.00 H new ATOM 0 HA ALA A 27 6.475 7.199 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.631 7.480 8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.590 8.315 7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.081 6.754 8.398 1.00 0.00 H new ATOM 391 N ALA A 28 5.591 4.162 7.254 1.00 0.00 N ATOM 392 CA ALA A 28 6.176 2.840 7.463 1.00 0.00 C ATOM 393 C ALA A 28 7.106 2.463 6.295 1.00 0.00 C ATOM 394 O ALA A 28 8.248 2.052 6.502 1.00 0.00 O ATOM 395 CB ALA A 28 5.043 1.822 7.652 1.00 0.00 C ATOM 0 H ALA A 28 4.608 4.137 6.981 1.00 0.00 H new ATOM 0 HA ALA A 28 6.793 2.843 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.467 0.830 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.443 2.102 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.412 1.810 6.763 1.00 0.00 H new ATOM 401 N PHE A 29 6.653 2.649 5.052 1.00 0.00 N ATOM 402 CA PHE A 29 7.405 2.209 3.874 1.00 0.00 C ATOM 403 C PHE A 29 8.598 3.111 3.517 1.00 0.00 C ATOM 404 O PHE A 29 9.562 2.619 2.929 1.00 0.00 O ATOM 405 CB PHE A 29 6.442 1.942 2.712 1.00 0.00 C ATOM 406 CG PHE A 29 5.330 0.942 3.016 1.00 0.00 C ATOM 407 CD1 PHE A 29 5.549 -0.179 3.851 1.00 0.00 C ATOM 408 CD2 PHE A 29 4.053 1.138 2.460 1.00 0.00 C ATOM 409 CE1 PHE A 29 4.500 -1.070 4.140 1.00 0.00 C ATOM 410 CE2 PHE A 29 3.012 0.234 2.733 1.00 0.00 C ATOM 411 CZ PHE A 29 3.231 -0.867 3.576 1.00 0.00 C ATOM 0 H PHE A 29 5.766 3.103 4.835 1.00 0.00 H new ATOM 0 HA PHE A 29 7.890 1.264 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.989 2.886 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.016 1.577 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.529 -0.352 4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.871 1.988 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.671 -1.911 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.038 0.387 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.426 -1.555 3.790 1.00 0.00 H new ATOM 421 N SER A 30 8.625 4.369 3.976 1.00 0.00 N ATOM 422 CA SER A 30 9.798 5.248 3.853 1.00 0.00 C ATOM 423 C SER A 30 11.035 4.713 4.605 1.00 0.00 C ATOM 424 O SER A 30 12.172 5.042 4.263 1.00 0.00 O ATOM 425 CB SER A 30 9.432 6.649 4.354 1.00 0.00 C ATOM 426 OG SER A 30 10.474 7.557 4.070 1.00 0.00 O ATOM 0 H SER A 30 7.832 4.808 4.445 1.00 0.00 H new ATOM 0 HA SER A 30 10.074 5.283 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.509 6.983 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.246 6.622 5.428 1.00 0.00 H new ATOM 0 HG SER A 30 10.228 8.449 4.393 1.00 0.00 H new ATOM 432 N SER A 31 10.844 3.829 5.594 1.00 0.00 N ATOM 433 CA SER A 31 11.937 3.136 6.298 1.00 0.00 C ATOM 434 C SER A 31 12.636 2.072 5.433 1.00 0.00 C ATOM 435 O SER A 31 13.814 1.773 5.658 1.00 0.00 O ATOM 436 CB SER A 31 11.401 2.498 7.584 1.00 0.00 C ATOM 437 OG SER A 31 10.823 3.490 8.418 1.00 0.00 O ATOM 0 H SER A 31 9.917 3.571 5.933 1.00 0.00 H new ATOM 0 HA SER A 31 12.689 3.888 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.658 1.739 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.210 1.994 8.113 1.00 0.00 H new ATOM 0 HG SER A 31 10.482 3.072 9.236 1.00 0.00 H new ATOM 443 N PHE A 32 11.962 1.536 4.404 1.00 0.00 N ATOM 444 CA PHE A 32 12.573 0.635 3.417 1.00 0.00 C ATOM 445 C PHE A 32 13.375 1.420 2.367 1.00 0.00 C ATOM 446 O PHE A 32 14.512 1.035 2.064 1.00 0.00 O ATOM 447 CB PHE A 32 11.505 -0.255 2.755 1.00 0.00 C ATOM 448 CG PHE A 32 10.901 -1.312 3.666 1.00 0.00 C ATOM 449 CD1 PHE A 32 9.854 -0.980 4.546 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.381 -2.636 3.630 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.283 -1.961 5.378 1.00 0.00 C ATOM 452 CE2 PHE A 32 10.822 -3.615 4.471 1.00 0.00 C ATOM 453 CZ PHE A 32 9.772 -3.279 5.344 1.00 0.00 C ATOM 0 H PHE A 32 10.973 1.717 4.233 1.00 0.00 H new ATOM 0 HA PHE A 32 13.273 -0.015 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.704 0.382 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.949 -0.751 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.486 0.035 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.181 -2.900 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.471 -1.702 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.200 -4.626 4.446 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.342 -4.032 5.987 1.00 0.00 H new ATOM 463 N GLY A 33 12.832 2.532 1.856 1.00 0.00 N ATOM 464 CA GLY A 33 13.541 3.400 0.915 1.00 0.00 C ATOM 465 C GLY A 33 12.756 4.608 0.388 1.00 0.00 C ATOM 466 O GLY A 33 11.766 5.034 0.981 1.00 0.00 O ATOM 0 H GLY A 33 11.891 2.852 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.447 3.764 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.856 2.797 0.063 1.00 0.00 H new ATOM 470 N GLU A 34 13.198 5.175 -0.739 1.00 0.00 N ATOM 471 CA GLU A 34 12.508 6.263 -1.452 1.00 0.00 C ATOM 472 C GLU A 34 11.121 5.824 -1.965 1.00 0.00 C ATOM 473 O GLU A 34 10.998 4.780 -2.617 1.00 0.00 O ATOM 474 CB GLU A 34 13.326 6.738 -2.666 1.00 0.00 C ATOM 475 CG GLU A 34 14.682 7.391 -2.385 1.00 0.00 C ATOM 476 CD GLU A 34 15.313 7.875 -3.703 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.073 9.040 -4.111 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.041 7.097 -4.365 1.00 0.00 O ATOM 0 H GLU A 34 14.064 4.886 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 34 12.394 7.072 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.493 5.880 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.718 7.449 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.556 8.231 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.344 6.678 -1.895 1.00 0.00 H new ATOM 485 N ILE A 35 10.103 6.656 -1.724 1.00 0.00 N ATOM 486 CA ILE A 35 8.717 6.490 -2.186 1.00 0.00 C ATOM 487 C ILE A 35 8.392 7.519 -3.274 1.00 0.00 C ATOM 488 O ILE A 35 8.718 8.702 -3.128 1.00 0.00 O ATOM 489 CB ILE A 35 7.749 6.610 -0.979 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.878 5.417 -0.005 1.00 0.00 C ATOM 491 CG2 ILE A 35 6.276 6.790 -1.394 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.424 4.071 -0.584 1.00 0.00 C ATOM 0 H ILE A 35 10.227 7.506 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 35 8.594 5.500 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 35 8.058 7.519 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.918 5.331 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.292 5.630 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.654 6.867 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.174 7.698 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.957 5.932 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.549 3.291 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.374 4.134 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.026 3.830 -1.461 1.00 0.00 H new ATOM 504 N LEU A 36 7.677 7.089 -4.317 1.00 0.00 N ATOM 505 CA LEU A 36 7.082 7.952 -5.346 1.00 0.00 C ATOM 506 C LEU A 36 5.599 8.264 -5.076 1.00 0.00 C ATOM 507 O LEU A 36 5.132 9.342 -5.451 1.00 0.00 O ATOM 508 CB LEU A 36 7.228 7.283 -6.729 1.00 0.00 C ATOM 509 CG LEU A 36 8.674 7.110 -7.231 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.656 6.369 -8.567 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.385 8.448 -7.444 1.00 0.00 C ATOM 0 H LEU A 36 7.489 6.099 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 36 7.619 8.900 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.755 6.302 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.676 7.874 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 36 9.214 6.552 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.677 6.244 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.195 5.390 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.083 6.944 -9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.400 8.268 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.841 9.035 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.421 8.995 -6.502 1.00 0.00 H new ATOM 523 N ASP A 37 4.860 7.344 -4.444 1.00 0.00 N ATOM 524 CA ASP A 37 3.421 7.486 -4.163 1.00 0.00 C ATOM 525 C ASP A 37 2.956 6.477 -3.112 1.00 0.00 C ATOM 526 O ASP A 37 3.467 5.350 -3.079 1.00 0.00 O ATOM 527 CB ASP A 37 2.616 7.180 -5.442 1.00 0.00 C ATOM 528 CG ASP A 37 1.209 7.783 -5.455 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.062 8.997 -5.745 1.00 0.00 O ATOM 530 OD2 ASP A 37 0.232 7.022 -5.288 1.00 0.00 O ATOM 0 H ASP A 37 5.249 6.464 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 37 3.260 8.504 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.168 7.555 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.537 6.099 -5.559 1.00 0.00 H new ATOM 535 N ALA A 38 1.874 6.796 -2.396 1.00 0.00 N ATOM 536 CA ALA A 38 0.877 5.784 -2.107 1.00 0.00 C ATOM 537 C ALA A 38 -0.550 6.320 -2.317 1.00 0.00 C ATOM 538 O ALA A 38 -0.806 7.513 -2.140 1.00 0.00 O ATOM 539 CB ALA A 38 1.104 5.224 -0.695 1.00 0.00 C ATOM 0 H ALA A 38 1.676 7.723 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 38 0.988 4.960 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.353 4.464 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.098 4.780 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.022 6.030 0.034 1.00 0.00 H new ATOM 545 N LYS A 39 -1.480 5.433 -2.685 1.00 0.00 N ATOM 546 CA LYS A 39 -2.915 5.714 -2.886 1.00 0.00 C ATOM 547 C LYS A 39 -3.724 5.218 -1.690 1.00 0.00 C ATOM 548 O LYS A 39 -3.437 4.141 -1.178 1.00 0.00 O ATOM 549 CB LYS A 39 -3.392 5.051 -4.199 1.00 0.00 C ATOM 550 CG LYS A 39 -4.905 5.116 -4.505 1.00 0.00 C ATOM 551 CD LYS A 39 -5.420 6.553 -4.679 1.00 0.00 C ATOM 552 CE LYS A 39 -6.908 6.544 -5.042 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.419 7.916 -5.230 1.00 0.00 N ATOM 0 H LYS A 39 -1.248 4.455 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.068 6.790 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.858 5.516 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.095 4.002 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.111 4.549 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.455 4.634 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.267 7.115 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.851 7.058 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.059 5.968 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.474 6.047 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.429 7.880 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.295 8.456 -4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.893 8.380 -5.998 1.00 0.00 H new ATOM 567 N ILE A 40 -4.783 5.938 -1.327 1.00 0.00 N ATOM 568 CA ILE A 40 -5.895 5.435 -0.503 1.00 0.00 C ATOM 569 C ILE A 40 -7.227 5.625 -1.238 1.00 0.00 C ATOM 570 O ILE A 40 -7.418 6.632 -1.926 1.00 0.00 O ATOM 571 CB ILE A 40 -5.867 6.061 0.908 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.951 5.456 1.826 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.896 7.599 0.892 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.298 6.191 1.904 1.00 0.00 C ATOM 0 H ILE A 40 -4.901 6.913 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.777 4.362 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.901 5.796 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.142 4.435 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.542 5.393 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.874 7.974 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.028 7.974 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.806 7.941 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.964 5.659 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.139 7.204 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.748 6.232 0.912 1.00 0.00 H new ATOM 586 N ILE A 41 -8.140 4.654 -1.128 1.00 0.00 N ATOM 587 CA ILE A 41 -9.407 4.637 -1.879 1.00 0.00 C ATOM 588 C ILE A 41 -10.659 4.485 -0.989 1.00 0.00 C ATOM 589 O ILE A 41 -10.660 3.756 0.004 1.00 0.00 O ATOM 590 CB ILE A 41 -9.302 3.616 -3.035 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.472 3.657 -4.036 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.058 2.179 -2.536 1.00 0.00 C ATOM 593 CD1 ILE A 41 -10.625 4.998 -4.761 1.00 0.00 C ATOM 0 H ILE A 41 -8.023 3.850 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.561 5.620 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.421 3.939 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.331 2.869 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.398 3.434 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.993 1.504 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.126 2.143 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.883 1.872 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.470 4.946 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.799 5.789 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.715 5.215 -5.321 1.00 0.00 H new ATOM 715 N SER A 49 -15.734 2.943 3.020 1.00 0.00 N ATOM 716 CA SER A 49 -14.277 2.812 3.083 1.00 0.00 C ATOM 717 C SER A 49 -13.845 1.599 2.244 1.00 0.00 C ATOM 718 O SER A 49 -14.272 0.472 2.515 1.00 0.00 O ATOM 719 CB SER A 49 -13.834 2.689 4.548 1.00 0.00 C ATOM 720 OG SER A 49 -14.609 1.731 5.253 1.00 0.00 O ATOM 0 HA SER A 49 -13.794 3.697 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.782 2.406 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.922 3.659 5.037 1.00 0.00 H new ATOM 0 HG SER A 49 -15.477 1.622 4.810 1.00 0.00 H new ATOM 726 N ARG A 50 -13.032 1.791 1.191 1.00 0.00 N ATOM 727 CA ARG A 50 -12.498 0.672 0.383 1.00 0.00 C ATOM 728 C ARG A 50 -11.277 0.038 1.054 1.00 0.00 C ATOM 729 O ARG A 50 -11.036 -1.154 0.870 1.00 0.00 O ATOM 730 CB ARG A 50 -12.286 1.081 -1.096 1.00 0.00 C ATOM 731 CG ARG A 50 -13.609 0.987 -1.872 1.00 0.00 C ATOM 732 CD ARG A 50 -13.619 1.549 -3.300 1.00 0.00 C ATOM 733 NE ARG A 50 -12.647 0.895 -4.187 1.00 0.00 N ATOM 734 CZ ARG A 50 -12.495 1.110 -5.479 1.00 0.00 C ATOM 735 NH1 ARG A 50 -13.237 1.916 -6.180 1.00 0.00 N ATOM 736 NH2 ARG A 50 -11.542 0.506 -6.114 1.00 0.00 N ATOM 0 H ARG A 50 -12.727 2.712 0.876 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.247 -0.119 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.899 2.099 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.540 0.433 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.901 -0.062 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.376 1.506 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.618 1.436 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.407 2.618 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.028 0.206 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.995 2.431 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.061 2.033 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.919 -0.128 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.415 0.664 -7.114 1.00 0.00 H new ATOM 750 N GLY A 51 -10.577 0.779 1.915 1.00 0.00 N ATOM 751 CA GLY A 51 -9.619 0.243 2.892 1.00 0.00 C ATOM 752 C GLY A 51 -8.342 -0.373 2.293 1.00 0.00 C ATOM 753 O GLY A 51 -7.614 -1.118 2.953 1.00 0.00 O ATOM 0 H GLY A 51 -10.661 1.795 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.331 1.045 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.122 -0.516 3.491 1.00 0.00 H new ATOM 757 N PHE A 52 -8.089 -0.078 1.023 1.00 0.00 N ATOM 758 CA PHE A 52 -6.993 -0.579 0.202 1.00 0.00 C ATOM 759 C PHE A 52 -6.254 0.611 -0.424 1.00 0.00 C ATOM 760 O PHE A 52 -6.710 1.760 -0.373 1.00 0.00 O ATOM 761 CB PHE A 52 -7.509 -1.569 -0.871 1.00 0.00 C ATOM 762 CG PHE A 52 -7.642 -3.035 -0.479 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.461 -3.436 0.593 1.00 0.00 C ATOM 764 CD2 PHE A 52 -6.960 -4.022 -1.222 1.00 0.00 C ATOM 765 CE1 PHE A 52 -8.582 -4.796 0.934 1.00 0.00 C ATOM 766 CE2 PHE A 52 -7.081 -5.383 -0.886 1.00 0.00 C ATOM 767 CZ PHE A 52 -7.890 -5.770 0.196 1.00 0.00 C ATOM 0 H PHE A 52 -8.687 0.564 0.503 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.293 -1.135 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.487 -1.222 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.840 -1.511 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.002 -2.693 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.339 -3.730 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.207 -5.091 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.552 -6.130 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.979 -6.814 0.459 1.00 0.00 H new ATOM 777 N GLY A 53 -5.097 0.327 -1.007 1.00 0.00 N ATOM 778 CA GLY A 53 -4.217 1.312 -1.602 1.00 0.00 C ATOM 779 C GLY A 53 -3.253 0.726 -2.627 1.00 0.00 C ATOM 780 O GLY A 53 -3.242 -0.479 -2.898 1.00 0.00 O ATOM 0 H GLY A 53 -4.738 -0.625 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.820 2.084 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.644 1.799 -0.813 1.00 0.00 H new ATOM 784 N PHE A 54 -2.459 1.613 -3.215 1.00 0.00 N ATOM 785 CA PHE A 54 -1.237 1.277 -3.946 1.00 0.00 C ATOM 786 C PHE A 54 -0.011 1.880 -3.256 1.00 0.00 C ATOM 787 O PHE A 54 -0.143 2.885 -2.563 1.00 0.00 O ATOM 788 CB PHE A 54 -1.337 1.731 -5.407 1.00 0.00 C ATOM 789 CG PHE A 54 -2.457 1.073 -6.184 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.360 -0.288 -6.530 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.579 1.817 -6.591 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.373 -0.893 -7.291 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.601 1.203 -7.336 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.498 -0.152 -7.691 1.00 0.00 C ATOM 0 H PHE A 54 -2.650 2.615 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.120 0.193 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.478 2.812 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.391 1.522 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.506 -0.867 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.656 2.862 -6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.287 -1.933 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.467 1.774 -7.636 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.280 -0.622 -8.269 1.00 0.00 H new ATOM 804 N VAL A 55 1.176 1.328 -3.505 1.00 0.00 N ATOM 805 CA VAL A 55 2.479 1.916 -3.128 1.00 0.00 C ATOM 806 C VAL A 55 3.429 1.821 -4.321 1.00 0.00 C ATOM 807 O VAL A 55 3.449 0.779 -4.978 1.00 0.00 O ATOM 808 CB VAL A 55 3.104 1.196 -1.913 1.00 0.00 C ATOM 809 CG1 VAL A 55 4.344 1.937 -1.393 1.00 0.00 C ATOM 810 CG2 VAL A 55 2.130 1.054 -0.740 1.00 0.00 C ATOM 0 H VAL A 55 1.270 0.434 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 55 2.316 2.957 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 55 3.374 0.206 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.756 1.401 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.093 1.992 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.064 2.945 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.625 0.541 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.810 2.043 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.261 0.478 -1.057 1.00 0.00 H new ATOM 820 N SER A 56 4.221 2.864 -4.590 1.00 0.00 N ATOM 821 CA SER A 56 5.256 2.882 -5.642 1.00 0.00 C ATOM 822 C SER A 56 6.591 3.409 -5.102 1.00 0.00 C ATOM 823 O SER A 56 6.629 4.429 -4.409 1.00 0.00 O ATOM 824 CB SER A 56 4.778 3.716 -6.835 1.00 0.00 C ATOM 825 OG SER A 56 5.703 3.678 -7.911 1.00 0.00 O ATOM 0 H SER A 56 4.163 3.742 -4.073 1.00 0.00 H new ATOM 0 HA SER A 56 5.423 1.858 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.811 3.344 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.630 4.749 -6.520 1.00 0.00 H new ATOM 0 HG SER A 56 5.363 4.220 -8.654 1.00 0.00 H new ATOM 831 N PHE A 57 7.686 2.715 -5.423 1.00 0.00 N ATOM 832 CA PHE A 57 9.046 2.992 -4.933 1.00 0.00 C ATOM 833 C PHE A 57 9.948 3.545 -6.046 1.00 0.00 C ATOM 834 O PHE A 57 9.717 3.263 -7.226 1.00 0.00 O ATOM 835 CB PHE A 57 9.661 1.705 -4.360 1.00 0.00 C ATOM 836 CG PHE A 57 8.946 1.108 -3.159 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.823 0.276 -3.338 1.00 0.00 C ATOM 838 CD2 PHE A 57 9.424 1.361 -1.859 1.00 0.00 C ATOM 839 CE1 PHE A 57 7.181 -0.297 -2.224 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.784 0.788 -0.745 1.00 0.00 C ATOM 841 CZ PHE A 57 7.661 -0.039 -0.927 1.00 0.00 C ATOM 0 H PHE A 57 7.652 1.915 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 57 8.974 3.750 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.691 0.956 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.693 1.912 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.454 0.077 -4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.285 1.997 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.321 -0.934 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.155 0.983 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.167 -0.476 -0.071 1.00 0.00 H new ATOM 851 N SER A 58 11.011 4.273 -5.685 1.00 0.00 N ATOM 852 CA SER A 58 11.983 4.802 -6.661 1.00 0.00 C ATOM 853 C SER A 58 13.095 3.821 -7.049 1.00 0.00 C ATOM 854 O SER A 58 13.761 4.053 -8.057 1.00 0.00 O ATOM 855 CB SER A 58 12.648 6.093 -6.177 1.00 0.00 C ATOM 856 OG SER A 58 11.719 7.000 -5.624 1.00 0.00 O ATOM 0 H SER A 58 11.225 4.513 -4.717 1.00 0.00 H new ATOM 0 HA SER A 58 11.372 4.991 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.405 5.851 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.164 6.568 -7.011 1.00 0.00 H new ATOM 0 HG SER A 58 12.188 7.808 -5.327 1.00 0.00 H new ATOM 862 N ASN A 59 13.326 2.740 -6.291 1.00 0.00 N ATOM 863 CA ASN A 59 14.397 1.765 -6.544 1.00 0.00 C ATOM 864 C ASN A 59 13.891 0.307 -6.475 1.00 0.00 C ATOM 865 O ASN A 59 13.003 -0.039 -5.695 1.00 0.00 O ATOM 866 CB ASN A 59 15.578 2.012 -5.584 1.00 0.00 C ATOM 867 CG ASN A 59 16.092 3.446 -5.595 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.904 3.844 -6.424 1.00 0.00 O ATOM 869 ND2 ASN A 59 15.625 4.271 -4.688 1.00 0.00 N ATOM 0 H ASN A 59 12.764 2.514 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 59 14.750 1.911 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.270 1.754 -4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.395 1.341 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.937 5.242 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.950 3.941 -3.998 1.00 0.00 H new ATOM 876 N GLU A 60 14.477 -0.560 -7.301 1.00 0.00 N ATOM 877 CA GLU A 60 13.933 -1.883 -7.648 1.00 0.00 C ATOM 878 C GLU A 60 14.143 -2.943 -6.550 1.00 0.00 C ATOM 879 O GLU A 60 13.234 -3.725 -6.260 1.00 0.00 O ATOM 880 CB GLU A 60 14.575 -2.305 -8.982 1.00 0.00 C ATOM 881 CG GLU A 60 13.953 -3.526 -9.668 1.00 0.00 C ATOM 882 CD GLU A 60 14.798 -3.917 -10.887 1.00 0.00 C ATOM 883 OE1 GLU A 60 14.600 -3.362 -11.995 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.715 -4.759 -10.727 1.00 0.00 O ATOM 0 H GLU A 60 15.365 -0.361 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 60 12.850 -1.809 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.525 -1.461 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.631 -2.510 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.898 -4.360 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.932 -3.301 -9.977 1.00 0.00 H new ATOM 891 N GLN A 61 15.315 -2.975 -5.901 1.00 0.00 N ATOM 892 CA GLN A 61 15.615 -3.972 -4.861 1.00 0.00 C ATOM 893 C GLN A 61 14.856 -3.687 -3.552 1.00 0.00 C ATOM 894 O GLN A 61 14.389 -4.617 -2.887 1.00 0.00 O ATOM 895 CB GLN A 61 17.138 -4.036 -4.642 1.00 0.00 C ATOM 896 CG GLN A 61 17.550 -5.287 -3.853 1.00 0.00 C ATOM 897 CD GLN A 61 19.063 -5.416 -3.725 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.733 -6.065 -4.523 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.659 -4.813 -2.724 1.00 0.00 N ATOM 0 H GLN A 61 16.075 -2.319 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 61 15.268 -4.948 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.644 -4.032 -5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.466 -3.145 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.105 -5.250 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.152 -6.173 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.111 -4.271 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.670 -4.886 -2.614 1.00 0.00 H new ATOM 908 N ALA A 62 14.677 -2.402 -3.219 1.00 0.00 N ATOM 909 CA ALA A 62 13.938 -1.944 -2.041 1.00 0.00 C ATOM 910 C ALA A 62 12.453 -2.348 -2.094 1.00 0.00 C ATOM 911 O ALA A 62 11.903 -2.807 -1.095 1.00 0.00 O ATOM 912 CB ALA A 62 14.096 -0.420 -1.936 1.00 0.00 C ATOM 0 H ALA A 62 15.052 -1.635 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 62 14.349 -2.425 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.552 -0.057 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.152 -0.170 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.696 0.050 -2.834 1.00 0.00 H new ATOM 918 N MET A 63 11.824 -2.252 -3.273 1.00 0.00 N ATOM 919 CA MET A 63 10.431 -2.660 -3.488 1.00 0.00 C ATOM 920 C MET A 63 10.211 -4.151 -3.180 1.00 0.00 C ATOM 921 O MET A 63 9.277 -4.507 -2.464 1.00 0.00 O ATOM 922 CB MET A 63 10.044 -2.303 -4.934 1.00 0.00 C ATOM 923 CG MET A 63 8.580 -2.608 -5.271 1.00 0.00 C ATOM 924 SD MET A 63 8.259 -4.315 -5.788 1.00 0.00 S ATOM 925 CE MET A 63 6.465 -4.232 -5.994 1.00 0.00 C ATOM 0 H MET A 63 12.273 -1.885 -4.112 1.00 0.00 H new ATOM 0 HA MET A 63 9.783 -2.123 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.233 -1.242 -5.100 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.688 -2.853 -5.620 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.967 -2.386 -4.397 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.257 -1.936 -6.066 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.038 -5.228 -5.872 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.043 -3.562 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.230 -3.856 -6.990 1.00 0.00 H new ATOM 935 N GLN A 64 11.102 -5.026 -3.649 1.00 0.00 N ATOM 936 CA GLN A 64 10.987 -6.476 -3.440 1.00 0.00 C ATOM 937 C GLN A 64 11.278 -6.875 -1.989 1.00 0.00 C ATOM 938 O GLN A 64 10.621 -7.769 -1.451 1.00 0.00 O ATOM 939 CB GLN A 64 11.950 -7.212 -4.374 1.00 0.00 C ATOM 940 CG GLN A 64 11.518 -7.143 -5.846 1.00 0.00 C ATOM 941 CD GLN A 64 12.692 -7.444 -6.764 1.00 0.00 C ATOM 942 OE1 GLN A 64 12.947 -8.575 -7.159 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.464 -6.445 -7.124 1.00 0.00 N ATOM 0 H GLN A 64 11.925 -4.752 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 64 9.958 -6.757 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.947 -6.784 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.019 -8.256 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.715 -7.857 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.121 -6.152 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.259 -5.500 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.268 -6.614 -7.728 1.00 0.00 H new ATOM 952 N ASP A 65 12.220 -6.185 -1.339 1.00 0.00 N ATOM 953 CA ASP A 65 12.514 -6.378 0.082 1.00 0.00 C ATOM 954 C ASP A 65 11.353 -5.918 0.980 1.00 0.00 C ATOM 955 O ASP A 65 11.115 -6.511 2.037 1.00 0.00 O ATOM 956 CB ASP A 65 13.808 -5.633 0.435 1.00 0.00 C ATOM 957 CG ASP A 65 14.320 -6.039 1.814 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.419 -7.261 2.087 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.641 -5.146 2.632 1.00 0.00 O ATOM 0 H ASP A 65 12.801 -5.475 -1.786 1.00 0.00 H new ATOM 0 HA ASP A 65 12.645 -7.445 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.569 -5.846 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.629 -4.558 0.412 1.00 0.00 H new ATOM 964 N ALA A 66 10.591 -4.914 0.529 1.00 0.00 N ATOM 965 CA ALA A 66 9.332 -4.537 1.155 1.00 0.00 C ATOM 966 C ALA A 66 8.272 -5.634 0.951 1.00 0.00 C ATOM 967 O ALA A 66 7.725 -6.110 1.936 1.00 0.00 O ATOM 968 CB ALA A 66 8.892 -3.153 0.663 1.00 0.00 C ATOM 0 H ALA A 66 10.836 -4.344 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 66 9.467 -4.453 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.949 -2.881 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.653 -2.417 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.760 -3.176 -0.419 1.00 0.00 H new ATOM 974 N ILE A 67 8.024 -6.110 -0.276 1.00 0.00 N ATOM 975 CA ILE A 67 7.062 -7.197 -0.579 1.00 0.00 C ATOM 976 C ILE A 67 7.318 -8.480 0.237 1.00 0.00 C ATOM 977 O ILE A 67 6.364 -9.093 0.725 1.00 0.00 O ATOM 978 CB ILE A 67 7.041 -7.478 -2.106 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.455 -6.294 -2.907 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.279 -8.760 -2.494 1.00 0.00 C ATOM 981 CD1 ILE A 67 4.952 -6.049 -2.733 1.00 0.00 C ATOM 0 H ILE A 67 8.491 -5.749 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 67 6.075 -6.852 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 67 8.090 -7.619 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.987 -5.387 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.657 -6.461 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.309 -8.888 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.746 -9.620 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.242 -8.680 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.650 -5.196 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.400 -6.934 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.736 -5.843 -1.685 1.00 0.00 H new ATOM 993 N GLU A 68 8.573 -8.883 0.462 1.00 0.00 N ATOM 994 CA GLU A 68 8.871 -10.016 1.365 1.00 0.00 C ATOM 995 C GLU A 68 8.662 -9.698 2.857 1.00 0.00 C ATOM 996 O GLU A 68 8.370 -10.605 3.643 1.00 0.00 O ATOM 997 CB GLU A 68 10.290 -10.554 1.117 1.00 0.00 C ATOM 998 CG GLU A 68 10.488 -11.181 -0.272 1.00 0.00 C ATOM 999 CD GLU A 68 9.827 -12.558 -0.456 1.00 0.00 C ATOM 1000 OE1 GLU A 68 8.670 -12.787 -0.020 1.00 0.00 O ATOM 1001 OE2 GLU A 68 10.428 -13.424 -1.136 1.00 0.00 O ATOM 0 H GLU A 68 9.395 -8.452 0.040 1.00 0.00 H new ATOM 0 HA GLU A 68 8.143 -10.790 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.003 -9.739 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.523 -11.300 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.090 -10.499 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.557 -11.278 -0.463 1.00 0.00 H new ATOM 1008 N GLY A 69 8.768 -8.429 3.264 1.00 0.00 N ATOM 1009 CA GLY A 69 8.500 -7.966 4.631 1.00 0.00 C ATOM 1010 C GLY A 69 7.018 -7.697 4.940 1.00 0.00 C ATOM 1011 O GLY A 69 6.590 -7.941 6.070 1.00 0.00 O ATOM 0 H GLY A 69 9.050 -7.676 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.874 -8.712 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.066 -7.051 4.808 1.00 0.00 H new ATOM 1015 N MET A 70 6.236 -7.229 3.957 1.00 0.00 N ATOM 1016 CA MET A 70 4.825 -6.817 4.080 1.00 0.00 C ATOM 1017 C MET A 70 3.881 -7.992 4.333 1.00 0.00 C ATOM 1018 O MET A 70 2.962 -7.874 5.141 1.00 0.00 O ATOM 1019 CB MET A 70 4.356 -6.125 2.780 1.00 0.00 C ATOM 1020 CG MET A 70 4.883 -4.696 2.572 1.00 0.00 C ATOM 1021 SD MET A 70 3.795 -3.650 1.565 1.00 0.00 S ATOM 1022 CE MET A 70 4.985 -2.458 0.899 1.00 0.00 C ATOM 0 H MET A 70 6.586 -7.121 3.005 1.00 0.00 H new ATOM 0 HA MET A 70 4.785 -6.141 4.934 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.664 -6.736 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.266 -6.098 2.775 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.024 -4.226 3.545 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.863 -4.746 2.098 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.452 -1.587 0.516 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.669 -2.147 1.689 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.551 -2.921 0.091 1.00 0.00 H new ATOM 1032 N ASN A 71 4.087 -9.116 3.643 1.00 0.00 N ATOM 1033 CA ASN A 71 3.175 -10.260 3.645 1.00 0.00 C ATOM 1034 C ASN A 71 2.851 -10.738 5.078 1.00 0.00 C ATOM 1035 O ASN A 71 3.728 -11.240 5.793 1.00 0.00 O ATOM 1036 CB ASN A 71 3.829 -11.354 2.787 1.00 0.00 C ATOM 1037 CG ASN A 71 3.023 -12.637 2.719 1.00 0.00 C ATOM 1038 OD1 ASN A 71 1.807 -12.657 2.867 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.681 -13.741 2.488 1.00 0.00 N ATOM 0 H ASN A 71 4.909 -9.258 3.056 1.00 0.00 H new ATOM 0 HA ASN A 71 2.209 -9.984 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.975 -10.973 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.817 -11.577 3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.183 -14.629 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.693 -13.715 2.366 1.00 0.00 H new ATOM 1046 N GLY A 72 1.588 -10.562 5.486 1.00 0.00 N ATOM 1047 CA GLY A 72 1.054 -10.990 6.784 1.00 0.00 C ATOM 1048 C GLY A 72 1.256 -10.029 7.966 1.00 0.00 C ATOM 1049 O GLY A 72 0.900 -10.397 9.089 1.00 0.00 O ATOM 0 H GLY A 72 0.888 -10.103 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.015 -11.168 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.511 -11.946 7.041 1.00 0.00 H new ATOM 1053 N LYS A 73 1.808 -8.822 7.766 1.00 0.00 N ATOM 1054 CA LYS A 73 1.992 -7.837 8.854 1.00 0.00 C ATOM 1055 C LYS A 73 0.673 -7.258 9.363 1.00 0.00 C ATOM 1056 O LYS A 73 -0.258 -7.022 8.598 1.00 0.00 O ATOM 1057 CB LYS A 73 2.937 -6.699 8.423 1.00 0.00 C ATOM 1058 CG LYS A 73 4.384 -7.160 8.190 1.00 0.00 C ATOM 1059 CD LYS A 73 5.105 -7.735 9.418 1.00 0.00 C ATOM 1060 CE LYS A 73 5.348 -6.701 10.524 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.021 -7.323 11.690 1.00 0.00 N ATOM 0 H LYS A 73 2.138 -8.499 6.856 1.00 0.00 H new ATOM 0 HA LYS A 73 2.446 -8.384 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.556 -6.248 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.930 -5.922 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.383 -7.916 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.960 -6.313 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.516 -8.557 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.062 -8.153 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.960 -5.886 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.398 -6.266 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.175 -6.604 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.424 -8.085 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.937 -7.716 11.393 1.00 0.00 H new ATOM 1075 N GLU A 74 0.625 -6.965 10.657 1.00 0.00 N ATOM 1076 CA GLU A 74 -0.448 -6.209 11.304 1.00 0.00 C ATOM 1077 C GLU A 74 -0.137 -4.712 11.196 1.00 0.00 C ATOM 1078 O GLU A 74 0.487 -4.131 12.089 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.589 -6.659 12.767 1.00 0.00 C ATOM 1080 CG GLU A 74 -1.174 -8.069 12.876 1.00 0.00 C ATOM 1081 CD GLU A 74 -1.068 -8.581 14.311 1.00 0.00 C ATOM 1082 OE1 GLU A 74 0.028 -9.051 14.701 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -2.085 -8.583 15.049 1.00 0.00 O ATOM 0 H GLU A 74 1.354 -7.255 11.309 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.400 -6.398 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.387 -6.633 13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.229 -5.958 13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.218 -8.062 12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.644 -8.743 12.203 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.530 -4.084 10.087 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.260 -2.673 9.804 1.00 0.00 C ATOM 1092 C LEU A 75 -1.464 -1.814 10.217 1.00 0.00 C ATOM 1093 O LEU A 75 -2.603 -2.140 9.893 1.00 0.00 O ATOM 1094 CB LEU A 75 0.138 -2.519 8.325 1.00 0.00 C ATOM 1095 CG LEU A 75 0.934 -1.234 8.024 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.306 -1.231 8.704 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.171 -1.117 6.520 1.00 0.00 C ATOM 0 H LEU A 75 -1.054 -4.550 9.347 1.00 0.00 H new ATOM 0 HA LEU A 75 0.582 -2.312 10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.734 -3.382 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.764 -2.528 7.713 1.00 0.00 H new ATOM 0 HG LEU A 75 0.344 -0.401 8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.830 -0.306 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.177 -1.304 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.889 -2.081 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.734 -0.208 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.736 -1.982 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.212 -1.078 6.003 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.228 -0.771 11.017 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.265 -0.100 11.828 1.00 0.00 C ATOM 1111 C ASP A 76 -3.028 -1.079 12.759 1.00 0.00 C ATOM 1112 O ASP A 76 -4.162 -0.836 13.182 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.148 0.790 10.932 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.914 1.866 11.713 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.307 2.560 12.567 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.127 2.058 11.461 1.00 0.00 O ATOM 0 H ASP A 76 -0.302 -0.358 11.126 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.782 0.576 12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.522 1.272 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.861 0.162 10.397 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.392 -2.214 13.080 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.954 -3.358 13.806 1.00 0.00 C ATOM 1123 C GLY A 77 -3.687 -4.394 12.943 1.00 0.00 C ATOM 1124 O GLY A 77 -4.072 -5.438 13.467 1.00 0.00 O ATOM 0 H GLY A 77 -1.416 -2.366 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.146 -3.861 14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.647 -2.983 14.559 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.876 -4.150 11.639 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.738 -4.958 10.754 1.00 0.00 C ATOM 1130 C ARG A 78 -3.918 -5.799 9.773 1.00 0.00 C ATOM 1131 O ARG A 78 -2.971 -5.298 9.170 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.716 -4.037 10.000 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.443 -2.977 10.852 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.131 -3.511 12.114 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.249 -4.416 11.811 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.128 -4.892 12.670 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -9.067 -4.680 13.952 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.112 -5.622 12.243 1.00 0.00 N ATOM 0 H ARG A 78 -3.427 -3.371 11.157 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.304 -5.653 11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.166 -3.524 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.467 -4.659 9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.722 -2.214 11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.191 -2.486 10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.399 -4.037 12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.498 -2.672 12.705 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.355 -4.705 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.309 -4.119 14.341 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.777 -5.075 14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.202 -5.825 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.795 -5.993 12.903 1.00 0.00 H new ATOM 1152 N SER A 79 -4.271 -7.073 9.607 1.00 0.00 N ATOM 1153 CA SER A 79 -3.533 -8.021 8.759 1.00 0.00 C ATOM 1154 C SER A 79 -3.567 -7.614 7.280 1.00 0.00 C ATOM 1155 O SER A 79 -4.639 -7.522 6.672 1.00 0.00 O ATOM 1156 CB SER A 79 -4.076 -9.444 8.929 1.00 0.00 C ATOM 1157 OG SER A 79 -3.923 -9.882 10.268 1.00 0.00 O ATOM 0 H SER A 79 -5.086 -7.485 10.061 1.00 0.00 H new ATOM 0 HA SER A 79 -2.493 -7.999 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.129 -9.472 8.650 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.550 -10.122 8.257 1.00 0.00 H new ATOM 0 HG SER A 79 -4.277 -10.792 10.357 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.390 -7.357 6.709 1.00 0.00 N ATOM 1164 CA ILE A 80 -2.198 -6.878 5.334 1.00 0.00 C ATOM 1165 C ILE A 80 -1.956 -8.027 4.342 1.00 0.00 C ATOM 1166 O ILE A 80 -1.574 -9.136 4.731 1.00 0.00 O ATOM 1167 CB ILE A 80 -1.093 -5.793 5.321 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -1.223 -4.814 4.134 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.309 -6.416 5.349 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.318 -3.587 4.287 1.00 0.00 C ATOM 0 H ILE A 80 -1.509 -7.480 7.208 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.119 -6.414 4.982 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.235 -5.213 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.973 -5.334 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.260 -4.489 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.059 -5.625 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.424 -7.013 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.442 -7.053 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.447 -2.930 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.585 -3.049 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.722 -3.907 4.346 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.152 -7.743 3.053 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.851 -8.636 1.916 1.00 0.00 C ATOM 1184 C VAL A 81 -1.179 -7.816 0.813 1.00 0.00 C ATOM 1185 O VAL A 81 -1.492 -6.632 0.657 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.130 -9.347 1.411 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.937 -10.117 0.097 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.609 -10.361 2.456 1.00 0.00 C ATOM 0 H VAL A 81 -2.541 -6.849 2.753 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.168 -9.423 2.236 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.854 -8.550 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.877 -10.587 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.622 -9.427 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.175 -10.884 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.509 -10.858 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.829 -11.103 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.830 -9.844 3.390 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.251 -8.433 0.071 1.00 0.00 N ATOM 1199 CA VAL A 82 0.517 -7.799 -1.017 1.00 0.00 C ATOM 1200 C VAL A 82 0.458 -8.570 -2.343 1.00 0.00 C ATOM 1201 O VAL A 82 0.543 -9.802 -2.363 1.00 0.00 O ATOM 1202 CB VAL A 82 1.985 -7.556 -0.648 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.055 -6.415 0.355 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.736 -8.767 -0.083 1.00 0.00 C ATOM 0 H VAL A 82 -0.004 -9.413 0.211 1.00 0.00 H new ATOM 0 HA VAL A 82 0.022 -6.838 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 82 2.487 -7.320 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.095 -6.232 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.632 -5.514 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.489 -6.680 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.764 -8.484 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.244 -9.108 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.735 -9.571 -0.818 1.00 0.00 H new ATOM 1214 N ASN A 83 0.405 -7.841 -3.464 1.00 0.00 N ATOM 1215 CA ASN A 83 0.906 -8.282 -4.778 1.00 0.00 C ATOM 1216 C ASN A 83 1.219 -7.082 -5.690 1.00 0.00 C ATOM 1217 O ASN A 83 0.708 -5.983 -5.488 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.051 -9.276 -5.475 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.481 -8.802 -5.663 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.389 -9.261 -4.984 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.745 -7.923 -6.603 1.00 0.00 N ATOM 0 H ASN A 83 0.003 -6.904 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 83 1.836 -8.818 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.361 -9.521 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.068 -10.200 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.706 -7.624 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.989 -7.540 -7.170 1.00 0.00 H new ATOM 1228 N GLU A 84 2.032 -7.288 -6.723 1.00 0.00 N ATOM 1229 CA GLU A 84 2.404 -6.267 -7.714 1.00 0.00 C ATOM 1230 C GLU A 84 1.196 -5.663 -8.467 1.00 0.00 C ATOM 1231 O GLU A 84 0.134 -6.288 -8.600 1.00 0.00 O ATOM 1232 CB GLU A 84 3.451 -6.830 -8.694 1.00 0.00 C ATOM 1233 CG GLU A 84 2.935 -7.958 -9.608 1.00 0.00 C ATOM 1234 CD GLU A 84 2.662 -7.512 -11.054 1.00 0.00 C ATOM 1235 OE1 GLU A 84 1.986 -6.479 -11.281 1.00 0.00 O ATOM 1236 OE2 GLU A 84 3.094 -8.236 -11.990 1.00 0.00 O ATOM 0 H GLU A 84 2.465 -8.193 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 84 2.843 -5.439 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.820 -6.016 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.300 -7.204 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.666 -8.766 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.017 -8.365 -9.184 1.00 0.00 H new ATOM 1243 N ALA A 85 1.364 -4.420 -8.932 1.00 0.00 N ATOM 1244 CA ALA A 85 0.339 -3.609 -9.595 1.00 0.00 C ATOM 1245 C ALA A 85 0.822 -2.986 -10.926 1.00 0.00 C ATOM 1246 O ALA A 85 0.331 -1.932 -11.331 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.181 -2.562 -8.597 1.00 0.00 C ATOM 0 H ALA A 85 2.256 -3.932 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.485 -4.258 -9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.945 -1.950 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.610 -3.066 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.643 -1.926 -8.274 1.00 0.00 H new