USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl -133:sc= -0.122 (180deg=0) USER MOD Set 2.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 56 THR OG1 : rot -162:sc= -0.455 USER MOD Set 3.2: A 59 GLN : amide:sc= -0.507 K(o=-0.96,f=-4.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -20:sc= 0.103 USER MOD Single : A 17 SER OG : rot 25:sc= 0.853 USER MOD Single : A 18 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.0926 (180deg=-0.508) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.77 K(o=-4.8,f=-8.1!) USER MOD Single : A 45 SER OG : rot 140:sc= -0.513 USER MOD Single : A 46 THR OG1 : rot 5:sc= 1.12 USER MOD Single : A 65 CYS SG : rot -23:sc= 0.0489 USER MOD Single : A 68 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0343 USER MOD Single : A 77 SER OG : rot 140:sc= 0.304 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -173:sc= 0 (180deg=-0.0252) USER MOD Single : A 86 THR OG1 : rot 61:sc= 1.18 USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.757 (180deg=-1.51) USER MOD Single : A 99 THR OG1 : rot -58:sc= 0.977 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 108 ASN : amide:sc=-0.00537 X(o=-0.0054,f=0) USER MOD Single : A 110 TYR OH : rot -90:sc= -0.226 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.738 10.211 3.877 1.00 74.04 N ATOM 78 CA ASP A 8 -5.827 8.856 3.346 1.00 45.41 C ATOM 79 C ASP A 8 -4.711 7.980 3.903 1.00 23.25 C ATOM 80 O ASP A 8 -4.847 6.759 3.983 1.00 71.12 O ATOM 81 CB ASP A 8 -5.760 8.880 1.817 1.00 11.43 C ATOM 82 CG ASP A 8 -7.056 8.432 1.174 1.00 44.13 C ATOM 83 OD1 ASP A 8 -7.222 7.213 0.957 1.00 24.53 O ATOM 84 OD2 ASP A 8 -7.906 9.300 0.886 1.00 54.15 O ATOM 0 HA ASP A 8 -6.783 8.433 3.654 1.00 45.41 H new ATOM 0 HB2 ASP A 8 -5.522 9.890 1.483 1.00 11.43 H new ATOM 0 HB3 ASP A 8 -4.949 8.234 1.482 1.00 11.43 H new ATOM 89 N TRP A 9 -3.606 8.610 4.286 1.00 2.01 N ATOM 90 CA TRP A 9 -2.464 7.887 4.836 1.00 61.44 C ATOM 91 C TRP A 9 -2.727 7.470 6.278 1.00 71.31 C ATOM 92 O TRP A 9 -2.848 6.282 6.580 1.00 40.32 O ATOM 93 CB TRP A 9 -1.204 8.750 4.762 1.00 31.31 C ATOM 94 CG TRP A 9 -0.027 8.143 5.465 1.00 54.03 C ATOM 95 CD1 TRP A 9 0.736 8.725 6.436 1.00 44.42 C ATOM 96 CD2 TRP A 9 0.521 6.838 5.250 1.00 65.34 C ATOM 97 NE1 TRP A 9 1.726 7.860 6.837 1.00 10.32 N ATOM 98 CE2 TRP A 9 1.615 6.696 6.124 1.00 54.20 C ATOM 99 CE3 TRP A 9 0.193 5.776 4.403 1.00 33.42 C ATOM 100 CZ2 TRP A 9 2.381 5.534 6.175 1.00 52.43 C ATOM 101 CZ3 TRP A 9 0.954 4.624 4.454 1.00 74.41 C ATOM 102 CH2 TRP A 9 2.037 4.510 5.336 1.00 12.40 C ATOM 0 H TRP A 9 -3.476 9.620 4.226 1.00 2.01 H new ATOM 0 HA TRP A 9 -2.314 6.987 4.240 1.00 61.44 H new ATOM 0 HB2 TRP A 9 -0.947 8.917 3.716 1.00 31.31 H new ATOM 0 HB3 TRP A 9 -1.415 9.727 5.198 1.00 31.31 H new ATOM 0 HD1 TRP A 9 0.584 9.719 6.831 1.00 44.42 H new ATOM 0 HE1 TRP A 9 2.429 8.054 7.550 1.00 10.32 H new ATOM 0 HE3 TRP A 9 -0.641 5.854 3.721 1.00 33.42 H new ATOM 0 HZ2 TRP A 9 3.217 5.445 6.853 1.00 52.43 H new ATOM 0 HZ3 TRP A 9 0.710 3.797 3.803 1.00 74.41 H new ATOM 0 HH2 TRP A 9 2.611 3.596 5.354 1.00 12.40 H new ATOM 113 N LYS A 10 -2.815 8.454 7.167 1.00 64.01 N ATOM 114 CA LYS A 10 -3.065 8.190 8.579 1.00 44.11 C ATOM 115 C LYS A 10 -4.342 7.375 8.763 1.00 22.33 C ATOM 116 O LYS A 10 -4.475 6.623 9.727 1.00 33.33 O ATOM 117 CB LYS A 10 -3.172 9.506 9.354 1.00 63.35 C ATOM 118 CG LYS A 10 -3.298 9.318 10.856 1.00 45.42 C ATOM 119 CD LYS A 10 -2.408 10.289 11.615 1.00 51.33 C ATOM 120 CE LYS A 10 -2.892 10.488 13.043 1.00 33.12 C ATOM 121 NZ LYS A 10 -3.121 11.926 13.356 1.00 32.41 N ATOM 0 H LYS A 10 -2.717 9.442 6.934 1.00 64.01 H new ATOM 0 HA LYS A 10 -2.227 7.612 8.969 1.00 44.11 H new ATOM 0 HB2 LYS A 10 -2.292 10.114 9.145 1.00 63.35 H new ATOM 0 HB3 LYS A 10 -4.037 10.062 8.992 1.00 63.35 H new ATOM 0 HG2 LYS A 10 -4.336 9.463 11.156 1.00 45.42 H new ATOM 0 HG3 LYS A 10 -3.030 8.295 11.120 1.00 45.42 H new ATOM 0 HD2 LYS A 10 -1.385 9.914 11.625 1.00 51.33 H new ATOM 0 HD3 LYS A 10 -2.391 11.249 11.098 1.00 51.33 H new ATOM 0 HE2 LYS A 10 -3.817 9.932 13.194 1.00 33.12 H new ATOM 0 HE3 LYS A 10 -2.157 10.078 13.736 1.00 33.12 H new ATOM 0 HZ1 LYS A 10 -3.450 12.019 14.338 1.00 32.41 H new ATOM 0 HZ2 LYS A 10 -2.232 12.453 13.237 1.00 32.41 H new ATOM 0 HZ3 LYS A 10 -3.841 12.311 12.712 1.00 32.41 H new ATOM 135 N MET A 11 -5.275 7.529 7.830 1.00 71.42 N ATOM 136 CA MET A 11 -6.540 6.804 7.888 1.00 11.45 C ATOM 137 C MET A 11 -6.349 5.344 7.488 1.00 61.14 C ATOM 138 O MET A 11 -6.900 4.441 8.116 1.00 52.14 O ATOM 139 CB MET A 11 -7.574 7.465 6.975 1.00 65.13 C ATOM 140 CG MET A 11 -8.996 6.989 7.223 1.00 3.20 C ATOM 141 SD MET A 11 -10.142 8.350 7.513 1.00 75.44 S ATOM 142 CE MET A 11 -11.398 8.004 6.284 1.00 21.24 C ATOM 0 H MET A 11 -5.180 8.148 7.025 1.00 71.42 H new ATOM 0 HA MET A 11 -6.901 6.836 8.916 1.00 11.45 H new ATOM 0 HB2 MET A 11 -7.532 8.545 7.114 1.00 65.13 H new ATOM 0 HB3 MET A 11 -7.309 7.267 5.936 1.00 65.13 H new ATOM 0 HG2 MET A 11 -9.336 6.409 6.365 1.00 3.20 H new ATOM 0 HG3 MET A 11 -9.006 6.320 8.084 1.00 3.20 H new ATOM 0 HE1 MET A 11 -12.179 8.762 6.339 1.00 21.24 H new ATOM 0 HE2 MET A 11 -10.949 8.017 5.291 1.00 21.24 H new ATOM 0 HE3 MET A 11 -11.831 7.022 6.473 1.00 21.24 H new ATOM 152 N ALA A 12 -5.565 5.121 6.439 1.00 24.41 N ATOM 153 CA ALA A 12 -5.300 3.771 5.955 1.00 15.40 C ATOM 154 C ALA A 12 -4.616 2.930 7.027 1.00 73.21 C ATOM 155 O ALA A 12 -4.866 1.729 7.140 1.00 2.43 O ATOM 156 CB ALA A 12 -4.449 3.819 4.696 1.00 60.31 C ATOM 0 H ALA A 12 -5.102 5.858 5.907 1.00 24.41 H new ATOM 0 HA ALA A 12 -6.255 3.303 5.716 1.00 15.40 H new ATOM 0 HB1 ALA A 12 -4.259 2.804 4.346 1.00 60.31 H new ATOM 0 HB2 ALA A 12 -4.976 4.377 3.922 1.00 60.31 H new ATOM 0 HB3 ALA A 12 -3.501 4.310 4.916 1.00 60.31 H new ATOM 162 N ILE A 13 -3.752 3.566 7.811 1.00 72.43 N ATOM 163 CA ILE A 13 -3.032 2.875 8.873 1.00 11.22 C ATOM 164 C ILE A 13 -3.945 2.591 10.061 1.00 20.21 C ATOM 165 O ILE A 13 -4.068 1.449 10.506 1.00 50.22 O ATOM 166 CB ILE A 13 -1.819 3.692 9.355 1.00 74.41 C ATOM 167 CG1 ILE A 13 -0.858 3.954 8.193 1.00 74.00 C ATOM 168 CG2 ILE A 13 -1.106 2.965 10.486 1.00 54.43 C ATOM 169 CD1 ILE A 13 -0.230 2.697 7.634 1.00 72.34 C ATOM 0 H ILE A 13 -3.534 4.559 7.730 1.00 72.43 H new ATOM 0 HA ILE A 13 -2.681 1.932 8.454 1.00 11.22 H new ATOM 0 HB ILE A 13 -2.173 4.651 9.732 1.00 74.41 H new ATOM 0 HG12 ILE A 13 -1.396 4.467 7.396 1.00 74.00 H new ATOM 0 HG13 ILE A 13 -0.069 4.626 8.529 1.00 74.00 H new ATOM 0 HG21 ILE A 13 -0.251 3.555 10.816 1.00 54.43 H new ATOM 0 HG22 ILE A 13 -1.794 2.826 11.320 1.00 54.43 H new ATOM 0 HG23 ILE A 13 -0.762 1.993 10.134 1.00 54.43 H new ATOM 0 HD11 ILE A 13 0.439 2.958 6.814 1.00 72.34 H new ATOM 0 HD12 ILE A 13 0.336 2.193 8.418 1.00 72.34 H new ATOM 0 HD13 ILE A 13 -1.012 2.032 7.267 1.00 72.34 H new ATOM 181 N LYS A 14 -4.585 3.638 10.571 1.00 54.13 N ATOM 182 CA LYS A 14 -5.491 3.503 11.706 1.00 11.11 C ATOM 183 C LYS A 14 -6.623 2.533 11.386 1.00 14.14 C ATOM 184 O LYS A 14 -6.905 1.616 12.158 1.00 15.05 O ATOM 185 CB LYS A 14 -6.067 4.867 12.090 1.00 13.42 C ATOM 186 CG LYS A 14 -5.257 5.593 13.151 1.00 2.12 C ATOM 187 CD LYS A 14 -6.066 5.811 14.419 1.00 0.04 C ATOM 188 CE LYS A 14 -5.624 7.068 15.153 1.00 22.54 C ATOM 189 NZ LYS A 14 -6.401 7.281 16.405 1.00 70.41 N ATOM 0 H LYS A 14 -4.493 4.590 10.216 1.00 54.13 H new ATOM 0 HA LYS A 14 -4.923 3.106 12.547 1.00 11.11 H new ATOM 0 HB2 LYS A 14 -6.125 5.492 11.199 1.00 13.42 H new ATOM 0 HB3 LYS A 14 -7.086 4.733 12.452 1.00 13.42 H new ATOM 0 HG2 LYS A 14 -4.362 5.017 13.384 1.00 2.12 H new ATOM 0 HG3 LYS A 14 -4.924 6.555 12.761 1.00 2.12 H new ATOM 0 HD2 LYS A 14 -7.124 5.888 14.168 1.00 0.04 H new ATOM 0 HD3 LYS A 14 -5.956 4.948 15.075 1.00 0.04 H new ATOM 0 HE2 LYS A 14 -4.563 6.995 15.392 1.00 22.54 H new ATOM 0 HE3 LYS A 14 -5.745 7.932 14.499 1.00 22.54 H new ATOM 0 HZ1 LYS A 14 -6.070 8.147 16.876 1.00 70.41 H new ATOM 0 HZ2 LYS A 14 -7.411 7.376 16.175 1.00 70.41 H new ATOM 0 HZ3 LYS A 14 -6.266 6.469 17.040 1.00 70.41 H new ATOM 203 N ARG A 15 -7.269 2.739 10.243 1.00 1.44 N ATOM 204 CA ARG A 15 -8.370 1.883 9.822 1.00 32.00 C ATOM 205 C ARG A 15 -7.913 0.432 9.698 1.00 74.33 C ATOM 206 O ARG A 15 -8.549 -0.477 10.235 1.00 74.22 O ATOM 207 CB ARG A 15 -8.938 2.366 8.486 1.00 22.50 C ATOM 208 CG ARG A 15 -9.720 3.665 8.591 1.00 62.55 C ATOM 209 CD ARG A 15 -10.311 4.068 7.250 1.00 64.35 C ATOM 210 NE ARG A 15 -11.149 3.017 6.681 1.00 73.23 N ATOM 211 CZ ARG A 15 -12.389 2.762 7.090 1.00 4.45 C ATOM 212 NH1 ARG A 15 -12.928 3.482 8.064 1.00 30.13 N ATOM 213 NH2 ARG A 15 -13.089 1.788 6.524 1.00 14.15 N ATOM 0 H ARG A 15 -7.048 3.492 9.592 1.00 1.44 H new ATOM 0 HA ARG A 15 -9.150 1.937 10.581 1.00 32.00 H new ATOM 0 HB2 ARG A 15 -8.119 2.501 7.780 1.00 22.50 H new ATOM 0 HB3 ARG A 15 -9.588 1.593 8.076 1.00 22.50 H new ATOM 0 HG2 ARG A 15 -10.520 3.552 9.323 1.00 62.55 H new ATOM 0 HG3 ARG A 15 -9.065 4.457 8.954 1.00 62.55 H new ATOM 0 HD2 ARG A 15 -10.902 4.976 7.373 1.00 64.35 H new ATOM 0 HD3 ARG A 15 -9.505 4.304 6.555 1.00 64.35 H new ATOM 0 HE ARG A 15 -10.763 2.447 5.929 1.00 73.23 H new ATOM 0 HH11 ARG A 15 -12.392 4.232 8.500 1.00 30.13 H new ATOM 0 HH12 ARG A 15 -13.879 3.286 8.377 1.00 30.13 H new ATOM 0 HH21 ARG A 15 -12.677 1.233 5.774 1.00 14.15 H new ATOM 0 HH22 ARG A 15 -14.040 1.594 6.839 1.00 14.15 H new ATOM 227 N CYS A 16 -6.811 0.222 8.989 1.00 41.03 N ATOM 228 CA CYS A 16 -6.270 -1.118 8.793 1.00 21.44 C ATOM 229 C CYS A 16 -5.912 -1.760 10.129 1.00 74.54 C ATOM 230 O CYS A 16 -5.940 -2.983 10.268 1.00 2.10 O ATOM 231 CB CYS A 16 -5.035 -1.066 7.893 1.00 64.42 C ATOM 232 SG CYS A 16 -4.251 -2.673 7.622 1.00 51.43 S ATOM 0 H CYS A 16 -6.273 0.963 8.539 1.00 41.03 H new ATOM 0 HA CYS A 16 -7.037 -1.725 8.311 1.00 21.44 H new ATOM 0 HB2 CYS A 16 -5.319 -0.645 6.929 1.00 64.42 H new ATOM 0 HB3 CYS A 16 -4.305 -0.387 8.335 1.00 64.42 H new ATOM 0 HG CYS A 16 -4.611 -3.495 8.562 1.00 51.43 H new ATOM 238 N SER A 17 -5.578 -0.928 11.110 1.00 63.33 N ATOM 239 CA SER A 17 -5.209 -1.415 12.434 1.00 41.33 C ATOM 240 C SER A 17 -6.278 -2.355 12.983 1.00 50.20 C ATOM 241 O SER A 17 -5.971 -3.322 13.678 1.00 3.14 O ATOM 242 CB SER A 17 -5.005 -0.241 13.393 1.00 51.31 C ATOM 243 OG SER A 17 -4.179 -0.611 14.483 1.00 2.34 O ATOM 0 H SER A 17 -5.555 0.087 11.013 1.00 63.33 H new ATOM 0 HA SER A 17 -4.274 -1.968 12.344 1.00 41.33 H new ATOM 0 HB2 SER A 17 -4.554 0.595 12.859 1.00 51.31 H new ATOM 0 HB3 SER A 17 -5.971 0.101 13.764 1.00 51.31 H new ATOM 0 HG SER A 17 -3.608 -1.363 14.220 1.00 2.34 H new ATOM 249 N ASN A 18 -7.535 -2.062 12.666 1.00 4.23 N ATOM 250 CA ASN A 18 -8.650 -2.881 13.128 1.00 44.53 C ATOM 251 C ASN A 18 -8.571 -4.288 12.544 1.00 2.42 C ATOM 252 O ASN A 18 -8.967 -5.261 13.186 1.00 42.04 O ATOM 253 CB ASN A 18 -9.981 -2.230 12.741 1.00 15.31 C ATOM 254 CG ASN A 18 -10.236 -0.942 13.501 1.00 74.03 C ATOM 255 OD1 ASN A 18 -9.440 -0.006 13.443 1.00 1.52 O ATOM 256 ND2 ASN A 18 -11.353 -0.891 14.219 1.00 11.11 N ATOM 0 H ASN A 18 -7.807 -1.264 12.092 1.00 4.23 H new ATOM 0 HA ASN A 18 -8.590 -2.954 14.214 1.00 44.53 H new ATOM 0 HB2 ASN A 18 -9.984 -2.024 11.671 1.00 15.31 H new ATOM 0 HB3 ASN A 18 -10.794 -2.930 12.933 1.00 15.31 H new ATOM 0 HD21 ASN A 18 -11.579 -0.051 14.751 1.00 11.11 H new ATOM 0 HD22 ASN A 18 -11.984 -1.692 14.238 1.00 11.11 H new ATOM 263 N VAL A 19 -8.055 -4.387 11.323 1.00 33.01 N ATOM 264 CA VAL A 19 -7.922 -5.675 10.653 1.00 64.30 C ATOM 265 C VAL A 19 -7.179 -6.677 11.530 1.00 31.11 C ATOM 266 O VAL A 19 -6.237 -6.320 12.237 1.00 50.43 O ATOM 267 CB VAL A 19 -7.179 -5.535 9.311 1.00 62.45 C ATOM 268 CG1 VAL A 19 -7.021 -6.893 8.643 1.00 13.10 C ATOM 269 CG2 VAL A 19 -7.912 -4.565 8.396 1.00 22.43 C ATOM 0 H VAL A 19 -7.723 -3.591 10.778 1.00 33.01 H new ATOM 0 HA VAL A 19 -8.932 -6.040 10.465 1.00 64.30 H new ATOM 0 HB VAL A 19 -6.184 -5.135 9.507 1.00 62.45 H new ATOM 0 HG11 VAL A 19 -6.494 -6.774 7.696 1.00 13.10 H new ATOM 0 HG12 VAL A 19 -6.451 -7.555 9.295 1.00 13.10 H new ATOM 0 HG13 VAL A 19 -8.005 -7.324 8.459 1.00 13.10 H new ATOM 0 HG21 VAL A 19 -7.374 -4.478 7.452 1.00 22.43 H new ATOM 0 HG22 VAL A 19 -8.920 -4.935 8.206 1.00 22.43 H new ATOM 0 HG23 VAL A 19 -7.969 -3.587 8.873 1.00 22.43 H new ATOM 279 N ALA A 20 -7.608 -7.934 11.478 1.00 43.44 N ATOM 280 CA ALA A 20 -6.982 -8.989 12.265 1.00 41.52 C ATOM 281 C ALA A 20 -6.118 -9.889 11.389 1.00 42.30 C ATOM 282 O ALA A 20 -6.631 -10.715 10.635 1.00 3.00 O ATOM 283 CB ALA A 20 -8.041 -9.808 12.986 1.00 34.34 C ATOM 0 H ALA A 20 -8.387 -8.246 10.899 1.00 43.44 H new ATOM 0 HA ALA A 20 -6.335 -8.520 13.006 1.00 41.52 H new ATOM 0 HB1 ALA A 20 -7.559 -10.592 13.570 1.00 34.34 H new ATOM 0 HB2 ALA A 20 -8.612 -9.160 13.651 1.00 34.34 H new ATOM 0 HB3 ALA A 20 -8.712 -10.260 12.255 1.00 34.34 H new ATOM 289 N VAL A 21 -4.803 -9.722 11.493 1.00 65.41 N ATOM 290 CA VAL A 21 -3.867 -10.520 10.709 1.00 20.53 C ATOM 291 C VAL A 21 -3.998 -12.003 11.042 1.00 21.25 C ATOM 292 O VAL A 21 -3.859 -12.860 10.170 1.00 61.33 O ATOM 293 CB VAL A 21 -2.412 -10.077 10.952 1.00 64.44 C ATOM 294 CG1 VAL A 21 -1.478 -10.745 9.953 1.00 12.43 C ATOM 295 CG2 VAL A 21 -2.297 -8.563 10.871 1.00 22.32 C ATOM 0 H VAL A 21 -4.362 -9.042 12.112 1.00 65.41 H new ATOM 0 HA VAL A 21 -4.116 -10.362 9.660 1.00 20.53 H new ATOM 0 HB VAL A 21 -2.117 -10.388 11.954 1.00 64.44 H new ATOM 0 HG11 VAL A 21 -0.454 -10.421 10.139 1.00 12.43 H new ATOM 0 HG12 VAL A 21 -1.542 -11.828 10.063 1.00 12.43 H new ATOM 0 HG13 VAL A 21 -1.769 -10.466 8.940 1.00 12.43 H new ATOM 0 HG21 VAL A 21 -1.263 -8.267 11.045 1.00 22.32 H new ATOM 0 HG22 VAL A 21 -2.609 -8.227 9.882 1.00 22.32 H new ATOM 0 HG23 VAL A 21 -2.937 -8.109 11.628 1.00 22.32 H new ATOM 375 N LYS A 28 -4.138 -10.631 16.507 1.00 5.10 N ATOM 376 CA LYS A 28 -3.082 -9.653 16.274 1.00 43.00 C ATOM 377 C LYS A 28 -3.526 -8.603 15.260 1.00 12.42 C ATOM 378 O LYS A 28 -3.453 -8.822 14.051 1.00 0.24 O ATOM 379 CB LYS A 28 -1.813 -10.350 15.779 1.00 3.34 C ATOM 380 CG LYS A 28 -0.758 -10.532 16.857 1.00 61.13 C ATOM 381 CD LYS A 28 0.620 -10.129 16.362 1.00 3.32 C ATOM 382 CE LYS A 28 1.594 -9.938 17.515 1.00 51.23 C ATOM 383 NZ LYS A 28 1.193 -8.806 18.397 1.00 52.11 N ATOM 0 HA LYS A 28 -2.870 -9.153 17.219 1.00 43.00 H new ATOM 0 HB2 LYS A 28 -2.079 -11.327 15.375 1.00 3.34 H new ATOM 0 HB3 LYS A 28 -1.387 -9.771 14.960 1.00 3.34 H new ATOM 0 HG2 LYS A 28 -1.021 -9.934 17.730 1.00 61.13 H new ATOM 0 HG3 LYS A 28 -0.740 -11.574 17.178 1.00 61.13 H new ATOM 0 HD2 LYS A 28 1.002 -10.893 15.685 1.00 3.32 H new ATOM 0 HD3 LYS A 28 0.546 -9.204 15.790 1.00 3.32 H new ATOM 0 HE2 LYS A 28 1.647 -10.855 18.102 1.00 51.23 H new ATOM 0 HE3 LYS A 28 2.593 -9.755 17.120 1.00 51.23 H new ATOM 0 HZ1 LYS A 28 2.023 -8.465 18.923 1.00 52.11 H new ATOM 0 HZ2 LYS A 28 0.809 -8.033 17.817 1.00 52.11 H new ATOM 0 HZ3 LYS A 28 0.466 -9.129 19.067 1.00 52.11 H new ATOM 397 N LYS A 29 -3.987 -7.462 15.762 1.00 43.04 N ATOM 398 CA LYS A 29 -4.441 -6.376 14.900 1.00 13.02 C ATOM 399 C LYS A 29 -3.288 -5.824 14.067 1.00 74.42 C ATOM 400 O LYS A 29 -2.119 -6.032 14.392 1.00 32.41 O ATOM 401 CB LYS A 29 -5.059 -5.255 15.740 1.00 33.44 C ATOM 402 CG LYS A 29 -6.578 -5.267 15.746 1.00 30.04 C ATOM 403 CD LYS A 29 -7.124 -6.361 16.648 1.00 33.01 C ATOM 404 CE LYS A 29 -8.644 -6.397 16.624 1.00 44.14 C ATOM 405 NZ LYS A 29 -9.235 -5.673 17.783 1.00 30.22 N ATOM 0 H LYS A 29 -4.056 -7.265 16.760 1.00 43.04 H new ATOM 0 HA LYS A 29 -5.197 -6.774 14.223 1.00 13.02 H new ATOM 0 HB2 LYS A 29 -4.699 -5.340 16.765 1.00 33.44 H new ATOM 0 HB3 LYS A 29 -4.713 -4.294 15.359 1.00 33.44 H new ATOM 0 HG2 LYS A 29 -6.949 -4.299 16.082 1.00 30.04 H new ATOM 0 HG3 LYS A 29 -6.946 -5.414 14.730 1.00 30.04 H new ATOM 0 HD2 LYS A 29 -6.731 -7.326 16.329 1.00 33.01 H new ATOM 0 HD3 LYS A 29 -6.779 -6.198 17.669 1.00 33.01 H new ATOM 0 HE2 LYS A 29 -9.003 -5.951 15.696 1.00 44.14 H new ATOM 0 HE3 LYS A 29 -8.983 -7.433 16.632 1.00 44.14 H new ATOM 0 HZ1 LYS A 29 -10.273 -5.721 17.730 1.00 30.22 H new ATOM 0 HZ2 LYS A 29 -8.913 -6.114 18.668 1.00 30.22 H new ATOM 0 HZ3 LYS A 29 -8.933 -4.678 17.762 1.00 30.22 H new ATOM 419 N PHE A 30 -3.626 -5.119 12.992 1.00 55.42 N ATOM 420 CA PHE A 30 -2.619 -4.536 12.113 1.00 21.45 C ATOM 421 C PHE A 30 -2.096 -3.220 12.681 1.00 20.30 C ATOM 422 O PHE A 30 -2.473 -2.812 13.779 1.00 43.14 O ATOM 423 CB PHE A 30 -3.202 -4.307 10.717 1.00 70.12 C ATOM 424 CG PHE A 30 -2.611 -5.203 9.666 1.00 42.04 C ATOM 425 CD1 PHE A 30 -1.251 -5.179 9.402 1.00 62.31 C ATOM 426 CD2 PHE A 30 -3.416 -6.068 8.942 1.00 14.52 C ATOM 427 CE1 PHE A 30 -0.705 -6.002 8.435 1.00 1.10 C ATOM 428 CE2 PHE A 30 -2.875 -6.893 7.975 1.00 33.14 C ATOM 429 CZ PHE A 30 -1.518 -6.860 7.720 1.00 11.40 C ATOM 0 H PHE A 30 -4.589 -4.938 12.709 1.00 55.42 H new ATOM 0 HA PHE A 30 -1.786 -5.236 12.041 1.00 21.45 H new ATOM 0 HB2 PHE A 30 -4.280 -4.464 10.752 1.00 70.12 H new ATOM 0 HB3 PHE A 30 -3.040 -3.268 10.430 1.00 70.12 H new ATOM 0 HD1 PHE A 30 -0.611 -4.510 9.958 1.00 62.31 H new ATOM 0 HD2 PHE A 30 -4.478 -6.097 9.136 1.00 14.52 H new ATOM 0 HE1 PHE A 30 0.357 -5.974 8.239 1.00 1.10 H new ATOM 0 HE2 PHE A 30 -3.513 -7.564 7.419 1.00 33.14 H new ATOM 0 HZ PHE A 30 -1.094 -7.503 6.963 1.00 11.40 H new ATOM 439 N GLY A 31 -1.225 -2.561 11.924 1.00 12.42 N ATOM 440 CA GLY A 31 -0.663 -1.298 12.368 1.00 60.54 C ATOM 441 C GLY A 31 0.495 -0.843 11.503 1.00 42.43 C ATOM 442 O GLY A 31 0.985 -1.597 10.664 1.00 61.54 O ATOM 0 H GLY A 31 -0.898 -2.878 11.011 1.00 12.42 H new ATOM 0 HA2 GLY A 31 -1.441 -0.535 12.359 1.00 60.54 H new ATOM 0 HA3 GLY A 31 -0.325 -1.397 13.400 1.00 60.54 H new ATOM 446 N GLU A 32 0.932 0.397 11.707 1.00 32.52 N ATOM 447 CA GLU A 32 2.038 0.951 10.936 1.00 10.51 C ATOM 448 C GLU A 32 3.261 0.041 11.005 1.00 15.40 C ATOM 449 O GLU A 32 4.079 0.010 10.087 1.00 62.52 O ATOM 450 CB GLU A 32 2.398 2.346 11.451 1.00 42.50 C ATOM 451 CG GLU A 32 2.495 2.431 12.965 1.00 5.34 C ATOM 452 CD GLU A 32 3.710 3.211 13.429 1.00 35.22 C ATOM 453 OE1 GLU A 32 4.782 2.592 13.599 1.00 24.33 O ATOM 454 OE2 GLU A 32 3.589 4.438 13.623 1.00 1.12 O ATOM 0 H GLU A 32 0.537 1.035 12.398 1.00 32.52 H new ATOM 0 HA GLU A 32 1.721 1.025 9.896 1.00 10.51 H new ATOM 0 HB2 GLU A 32 3.351 2.649 11.017 1.00 42.50 H new ATOM 0 HB3 GLU A 32 1.648 3.057 11.103 1.00 42.50 H new ATOM 0 HG2 GLU A 32 1.594 2.902 13.357 1.00 5.34 H new ATOM 0 HG3 GLU A 32 2.534 1.424 13.380 1.00 5.34 H new ATOM 461 N GLY A 33 3.379 -0.699 12.104 1.00 23.42 N ATOM 462 CA GLY A 33 4.504 -1.600 12.274 1.00 31.43 C ATOM 463 C GLY A 33 4.442 -2.789 11.336 1.00 62.21 C ATOM 464 O GLY A 33 5.347 -3.001 10.530 1.00 14.54 O ATOM 0 H GLY A 33 2.716 -0.690 12.879 1.00 23.42 H new ATOM 0 HA2 GLY A 33 5.432 -1.054 12.103 1.00 31.43 H new ATOM 0 HA3 GLY A 33 4.529 -1.955 13.304 1.00 31.43 H new ATOM 468 N ASN A 34 3.371 -3.569 11.442 1.00 22.51 N ATOM 469 CA ASN A 34 3.196 -4.745 10.597 1.00 54.15 C ATOM 470 C ASN A 34 3.093 -4.349 9.128 1.00 70.33 C ATOM 471 O ASN A 34 3.579 -5.059 8.246 1.00 54.30 O ATOM 472 CB ASN A 34 1.944 -5.518 11.017 1.00 72.04 C ATOM 473 CG ASN A 34 2.036 -6.041 12.437 1.00 34.05 C ATOM 474 OD1 ASN A 34 2.871 -6.892 12.744 1.00 14.14 O ATOM 475 ND2 ASN A 34 1.176 -5.532 13.313 1.00 25.14 N ATOM 0 H ASN A 34 2.612 -3.408 12.104 1.00 22.51 H new ATOM 0 HA ASN A 34 4.070 -5.385 10.722 1.00 54.15 H new ATOM 0 HB2 ASN A 34 1.073 -4.869 10.928 1.00 72.04 H new ATOM 0 HB3 ASN A 34 1.790 -6.354 10.334 1.00 72.04 H new ATOM 0 HD21 ASN A 34 1.191 -5.845 14.284 1.00 25.14 H new ATOM 0 HD22 ASN A 34 0.501 -4.828 13.015 1.00 25.14 H new ATOM 482 N PHE A 35 2.458 -3.210 8.870 1.00 71.42 N ATOM 483 CA PHE A 35 2.290 -2.720 7.508 1.00 45.41 C ATOM 484 C PHE A 35 3.644 -2.486 6.843 1.00 1.35 C ATOM 485 O PHE A 35 3.894 -2.959 5.735 1.00 10.22 O ATOM 486 CB PHE A 35 1.479 -1.423 7.506 1.00 30.00 C ATOM 487 CG PHE A 35 1.279 -0.841 6.135 1.00 1.02 C ATOM 488 CD1 PHE A 35 0.823 -1.632 5.093 1.00 25.43 C ATOM 489 CD2 PHE A 35 1.549 0.495 5.889 1.00 13.14 C ATOM 490 CE1 PHE A 35 0.638 -1.101 3.830 1.00 5.42 C ATOM 491 CE2 PHE A 35 1.366 1.032 4.628 1.00 15.24 C ATOM 492 CZ PHE A 35 0.912 0.233 3.597 1.00 12.42 C ATOM 0 H PHE A 35 2.051 -2.609 9.587 1.00 71.42 H new ATOM 0 HA PHE A 35 1.751 -3.479 6.940 1.00 45.41 H new ATOM 0 HB2 PHE A 35 0.505 -1.613 7.957 1.00 30.00 H new ATOM 0 HB3 PHE A 35 1.983 -0.688 8.134 1.00 30.00 H new ATOM 0 HD1 PHE A 35 0.609 -2.676 5.269 1.00 25.43 H new ATOM 0 HD2 PHE A 35 1.906 1.124 6.691 1.00 13.14 H new ATOM 0 HE1 PHE A 35 0.280 -1.728 3.027 1.00 5.42 H new ATOM 0 HE2 PHE A 35 1.578 2.076 4.449 1.00 15.24 H new ATOM 0 HZ PHE A 35 0.771 0.650 2.611 1.00 12.42 H new ATOM 502 N ARG A 36 4.515 -1.753 7.530 1.00 41.20 N ATOM 503 CA ARG A 36 5.842 -1.454 7.007 1.00 21.01 C ATOM 504 C ARG A 36 6.643 -2.736 6.791 1.00 55.30 C ATOM 505 O ARG A 36 7.264 -2.922 5.746 1.00 21.12 O ATOM 506 CB ARG A 36 6.593 -0.527 7.964 1.00 2.44 C ATOM 507 CG ARG A 36 5.983 0.861 8.072 1.00 55.13 C ATOM 508 CD ARG A 36 6.801 1.892 7.310 1.00 71.41 C ATOM 509 NE ARG A 36 6.419 1.962 5.902 1.00 61.13 N ATOM 510 CZ ARG A 36 7.169 2.530 4.964 1.00 32.12 C ATOM 511 NH1 ARG A 36 8.336 3.074 5.283 1.00 73.24 N ATOM 512 NH2 ARG A 36 6.752 2.554 3.705 1.00 45.10 N ATOM 0 H ARG A 36 4.325 -1.356 8.450 1.00 41.20 H new ATOM 0 HA ARG A 36 5.722 -0.954 6.046 1.00 21.01 H new ATOM 0 HB2 ARG A 36 6.616 -0.982 8.954 1.00 2.44 H new ATOM 0 HB3 ARG A 36 7.627 -0.435 7.631 1.00 2.44 H new ATOM 0 HG2 ARG A 36 4.965 0.843 7.683 1.00 55.13 H new ATOM 0 HG3 ARG A 36 5.918 1.150 9.121 1.00 55.13 H new ATOM 0 HD2 ARG A 36 6.669 2.871 7.770 1.00 71.41 H new ATOM 0 HD3 ARG A 36 7.860 1.643 7.386 1.00 71.41 H new ATOM 0 HE ARG A 36 5.527 1.552 5.624 1.00 61.13 H new ATOM 0 HH11 ARG A 36 8.659 3.057 6.250 1.00 73.24 H new ATOM 0 HH12 ARG A 36 8.910 3.509 4.561 1.00 73.24 H new ATOM 0 HH21 ARG A 36 5.855 2.136 3.457 1.00 45.10 H new ATOM 0 HH22 ARG A 36 7.328 2.990 2.985 1.00 45.10 H new ATOM 526 N TRP A 37 6.622 -3.614 7.788 1.00 13.22 N ATOM 527 CA TRP A 37 7.347 -4.877 7.708 1.00 72.52 C ATOM 528 C TRP A 37 6.990 -5.629 6.430 1.00 51.04 C ATOM 529 O TRP A 37 7.855 -6.218 5.784 1.00 63.41 O ATOM 530 CB TRP A 37 7.036 -5.745 8.928 1.00 74.32 C ATOM 531 CG TRP A 37 7.596 -7.132 8.828 1.00 35.13 C ATOM 532 CD1 TRP A 37 8.778 -7.578 9.348 1.00 72.02 C ATOM 533 CD2 TRP A 37 6.997 -8.252 8.168 1.00 62.51 C ATOM 534 NE1 TRP A 37 8.950 -8.909 9.049 1.00 55.33 N ATOM 535 CE2 TRP A 37 7.871 -9.346 8.327 1.00 51.10 C ATOM 536 CE3 TRP A 37 5.807 -8.440 7.459 1.00 44.41 C ATOM 537 CZ2 TRP A 37 7.591 -10.604 7.802 1.00 24.20 C ATOM 538 CZ3 TRP A 37 5.532 -9.689 6.937 1.00 32.44 C ATOM 539 CH2 TRP A 37 6.420 -10.759 7.112 1.00 52.04 C ATOM 0 H TRP A 37 6.112 -3.475 8.660 1.00 13.22 H new ATOM 0 HA TRP A 37 8.414 -4.655 7.691 1.00 72.52 H new ATOM 0 HB2 TRP A 37 7.436 -5.263 9.820 1.00 74.32 H new ATOM 0 HB3 TRP A 37 5.955 -5.805 9.056 1.00 74.32 H new ATOM 0 HD1 TRP A 37 9.474 -6.974 9.911 1.00 72.02 H new ATOM 0 HE1 TRP A 37 9.751 -9.479 9.321 1.00 55.33 H new ATOM 0 HE3 TRP A 37 5.114 -7.623 7.322 1.00 44.41 H new ATOM 0 HZ2 TRP A 37 8.275 -11.429 7.935 1.00 24.20 H new ATOM 0 HZ3 TRP A 37 4.617 -9.844 6.385 1.00 32.44 H new ATOM 0 HH2 TRP A 37 6.175 -11.724 6.694 1.00 52.04 H new ATOM 550 N ALA A 38 5.710 -5.603 6.071 1.00 20.53 N ATOM 551 CA ALA A 38 5.241 -6.280 4.869 1.00 75.22 C ATOM 552 C ALA A 38 5.767 -5.596 3.612 1.00 63.23 C ATOM 553 O ALA A 38 6.279 -6.253 2.705 1.00 10.42 O ATOM 554 CB ALA A 38 3.720 -6.327 4.849 1.00 53.13 C ATOM 0 H ALA A 38 4.980 -5.120 6.596 1.00 20.53 H new ATOM 0 HA ALA A 38 5.625 -7.300 4.884 1.00 75.22 H new ATOM 0 HB1 ALA A 38 3.384 -6.835 3.945 1.00 53.13 H new ATOM 0 HB2 ALA A 38 3.361 -6.868 5.725 1.00 53.13 H new ATOM 0 HB3 ALA A 38 3.324 -5.311 4.862 1.00 53.13 H new ATOM 560 N ILE A 39 5.636 -4.275 3.565 1.00 5.24 N ATOM 561 CA ILE A 39 6.100 -3.502 2.419 1.00 74.33 C ATOM 562 C ILE A 39 7.596 -3.694 2.195 1.00 1.54 C ATOM 563 O ILE A 39 8.039 -3.952 1.077 1.00 25.32 O ATOM 564 CB ILE A 39 5.806 -2.001 2.596 1.00 3.14 C ATOM 565 CG1 ILE A 39 4.304 -1.769 2.767 1.00 12.34 C ATOM 566 CG2 ILE A 39 6.338 -1.213 1.408 1.00 5.21 C ATOM 567 CD1 ILE A 39 3.969 -0.692 3.775 1.00 42.20 C ATOM 0 H ILE A 39 5.213 -3.717 4.307 1.00 5.24 H new ATOM 0 HA ILE A 39 5.556 -3.870 1.549 1.00 74.33 H new ATOM 0 HB ILE A 39 6.313 -1.651 3.495 1.00 3.14 H new ATOM 0 HG12 ILE A 39 3.874 -1.499 1.802 1.00 12.34 H new ATOM 0 HG13 ILE A 39 3.833 -2.703 3.075 1.00 12.34 H new ATOM 0 HG21 ILE A 39 6.122 -0.154 1.548 1.00 5.21 H new ATOM 0 HG22 ILE A 39 7.416 -1.357 1.329 1.00 5.21 H new ATOM 0 HG23 ILE A 39 5.858 -1.563 0.494 1.00 5.21 H new ATOM 0 HD11 ILE A 39 2.887 -0.582 3.844 1.00 42.20 H new ATOM 0 HD12 ILE A 39 4.368 -0.970 4.750 1.00 42.20 H new ATOM 0 HD13 ILE A 39 4.410 0.253 3.458 1.00 42.20 H new ATOM 579 N ARG A 40 8.370 -3.567 3.268 1.00 40.31 N ATOM 580 CA ARG A 40 9.817 -3.726 3.190 1.00 34.40 C ATOM 581 C ARG A 40 10.183 -5.093 2.617 1.00 10.34 C ATOM 582 O ARG A 40 11.022 -5.197 1.722 1.00 54.24 O ATOM 583 CB ARG A 40 10.446 -3.556 4.574 1.00 32.23 C ATOM 584 CG ARG A 40 11.354 -2.343 4.686 1.00 53.24 C ATOM 585 CD ARG A 40 12.757 -2.647 4.185 1.00 62.14 C ATOM 586 NE ARG A 40 13.780 -2.251 5.147 1.00 52.53 N ATOM 587 CZ ARG A 40 15.066 -2.561 5.023 1.00 63.12 C ATOM 588 NH1 ARG A 40 15.483 -3.269 3.982 1.00 41.33 N ATOM 589 NH2 ARG A 40 15.938 -2.164 5.941 1.00 75.15 N ATOM 0 H ARG A 40 8.019 -3.354 4.202 1.00 40.31 H new ATOM 0 HA ARG A 40 10.207 -2.956 2.525 1.00 34.40 H new ATOM 0 HB2 ARG A 40 9.652 -3.475 5.317 1.00 32.23 H new ATOM 0 HB3 ARG A 40 11.019 -4.451 4.816 1.00 32.23 H new ATOM 0 HG2 ARG A 40 10.933 -1.518 4.112 1.00 53.24 H new ATOM 0 HG3 ARG A 40 11.401 -2.017 5.725 1.00 53.24 H new ATOM 0 HD2 ARG A 40 12.845 -3.714 3.981 1.00 62.14 H new ATOM 0 HD3 ARG A 40 12.926 -2.127 3.242 1.00 62.14 H new ATOM 0 HE ARG A 40 13.492 -1.706 5.960 1.00 52.53 H new ATOM 0 HH11 ARG A 40 14.816 -3.577 3.274 1.00 41.33 H new ATOM 0 HH12 ARG A 40 16.471 -3.506 3.889 1.00 41.33 H new ATOM 0 HH21 ARG A 40 15.621 -1.620 6.744 1.00 75.15 H new ATOM 0 HH22 ARG A 40 16.925 -2.403 5.844 1.00 75.15 H new ATOM 603 N MET A 41 9.549 -6.137 3.140 1.00 32.04 N ATOM 604 CA MET A 41 9.808 -7.497 2.680 1.00 55.35 C ATOM 605 C MET A 41 9.353 -7.677 1.236 1.00 64.21 C ATOM 606 O MET A 41 10.148 -8.029 0.364 1.00 13.24 O ATOM 607 CB MET A 41 9.095 -8.507 3.581 1.00 43.30 C ATOM 608 CG MET A 41 9.658 -9.915 3.480 1.00 43.31 C ATOM 609 SD MET A 41 11.229 -10.098 4.345 1.00 33.24 S ATOM 610 CE MET A 41 11.974 -11.436 3.417 1.00 64.43 C ATOM 0 H MET A 41 8.853 -6.068 3.882 1.00 32.04 H new ATOM 0 HA MET A 41 10.883 -7.673 2.729 1.00 55.35 H new ATOM 0 HB2 MET A 41 9.164 -8.170 4.615 1.00 43.30 H new ATOM 0 HB3 MET A 41 8.036 -8.528 3.322 1.00 43.30 H new ATOM 0 HG2 MET A 41 8.937 -10.621 3.892 1.00 43.31 H new ATOM 0 HG3 MET A 41 9.794 -10.174 2.430 1.00 43.31 H new ATOM 0 HE1 MET A 41 12.955 -11.666 3.833 1.00 64.43 H new ATOM 0 HE2 MET A 41 11.338 -12.319 3.478 1.00 64.43 H new ATOM 0 HE3 MET A 41 12.083 -11.139 2.374 1.00 64.43 H new ATOM 620 N ALA A 42 8.071 -7.433 0.987 1.00 34.15 N ATOM 621 CA ALA A 42 7.512 -7.568 -0.352 1.00 2.23 C ATOM 622 C ALA A 42 8.303 -6.742 -1.361 1.00 73.33 C ATOM 623 O ALA A 42 8.351 -7.074 -2.545 1.00 41.25 O ATOM 624 CB ALA A 42 6.049 -7.151 -0.357 1.00 71.11 C ATOM 0 H ALA A 42 7.399 -7.140 1.696 1.00 34.15 H new ATOM 0 HA ALA A 42 7.581 -8.616 -0.645 1.00 2.23 H new ATOM 0 HB1 ALA A 42 5.644 -7.257 -1.363 1.00 71.11 H new ATOM 0 HB2 ALA A 42 5.487 -7.786 0.329 1.00 71.11 H new ATOM 0 HB3 ALA A 42 5.966 -6.111 -0.040 1.00 71.11 H new ATOM 630 N ASN A 43 8.921 -5.667 -0.885 1.00 54.53 N ATOM 631 CA ASN A 43 9.708 -4.792 -1.747 1.00 72.33 C ATOM 632 C ASN A 43 10.974 -5.497 -2.224 1.00 41.12 C ATOM 633 O ASN A 43 11.177 -5.689 -3.423 1.00 21.12 O ATOM 634 CB ASN A 43 10.075 -3.506 -1.006 1.00 30.11 C ATOM 635 CG ASN A 43 9.034 -2.418 -1.185 1.00 45.21 C ATOM 636 OD1 ASN A 43 8.181 -2.499 -2.069 1.00 74.01 O ATOM 637 ND2 ASN A 43 9.101 -1.391 -0.345 1.00 62.14 N ATOM 0 H ASN A 43 8.892 -5.380 0.093 1.00 54.53 H new ATOM 0 HA ASN A 43 9.103 -4.540 -2.618 1.00 72.33 H new ATOM 0 HB2 ASN A 43 10.191 -3.722 0.056 1.00 30.11 H new ATOM 0 HB3 ASN A 43 11.039 -3.145 -1.365 1.00 30.11 H new ATOM 0 HD21 ASN A 43 8.428 -0.628 -0.418 1.00 62.14 H new ATOM 0 HD22 ASN A 43 9.825 -1.366 0.373 1.00 62.14 H new ATOM 644 N VAL A 44 11.824 -5.881 -1.277 1.00 20.22 N ATOM 645 CA VAL A 44 13.070 -6.566 -1.600 1.00 31.01 C ATOM 646 C VAL A 44 12.802 -7.891 -2.304 1.00 31.15 C ATOM 647 O VAL A 44 13.560 -8.302 -3.183 1.00 74.31 O ATOM 648 CB VAL A 44 13.909 -6.829 -0.335 1.00 60.34 C ATOM 649 CG1 VAL A 44 15.200 -7.551 -0.691 1.00 65.23 C ATOM 650 CG2 VAL A 44 14.201 -5.526 0.392 1.00 52.23 C ATOM 0 H VAL A 44 11.672 -5.729 -0.280 1.00 20.22 H new ATOM 0 HA VAL A 44 13.629 -5.910 -2.268 1.00 31.01 H new ATOM 0 HB VAL A 44 13.334 -7.470 0.334 1.00 60.34 H new ATOM 0 HG11 VAL A 44 15.780 -7.728 0.215 1.00 65.23 H new ATOM 0 HG12 VAL A 44 14.965 -8.505 -1.164 1.00 65.23 H new ATOM 0 HG13 VAL A 44 15.782 -6.938 -1.380 1.00 65.23 H new ATOM 0 HG21 VAL A 44 14.794 -5.732 1.283 1.00 52.23 H new ATOM 0 HG22 VAL A 44 14.755 -4.858 -0.267 1.00 52.23 H new ATOM 0 HG23 VAL A 44 13.263 -5.053 0.682 1.00 52.23 H new ATOM 660 N SER A 45 11.719 -8.554 -1.913 1.00 31.12 N ATOM 661 CA SER A 45 11.353 -9.836 -2.504 1.00 42.23 C ATOM 662 C SER A 45 11.002 -9.672 -3.981 1.00 34.21 C ATOM 663 O SER A 45 11.127 -10.610 -4.769 1.00 22.13 O ATOM 664 CB SER A 45 10.169 -10.448 -1.753 1.00 31.43 C ATOM 665 OG SER A 45 10.152 -11.859 -1.893 1.00 32.13 O ATOM 0 H SER A 45 11.080 -8.225 -1.190 1.00 31.12 H new ATOM 0 HA SER A 45 12.211 -10.504 -2.423 1.00 42.23 H new ATOM 0 HB2 SER A 45 10.228 -10.185 -0.697 1.00 31.43 H new ATOM 0 HB3 SER A 45 9.237 -10.030 -2.134 1.00 31.43 H new ATOM 0 HG SER A 45 9.902 -12.269 -1.039 1.00 32.13 H new ATOM 671 N THR A 46 10.561 -8.473 -4.348 1.00 5.23 N ATOM 672 CA THR A 46 10.192 -8.185 -5.728 1.00 60.15 C ATOM 673 C THR A 46 11.343 -7.526 -6.480 1.00 12.42 C ATOM 674 O THR A 46 11.132 -6.836 -7.477 1.00 32.14 O ATOM 675 CB THR A 46 8.956 -7.268 -5.799 1.00 21.20 C ATOM 676 OG1 THR A 46 9.200 -6.060 -5.071 1.00 12.41 O ATOM 677 CG2 THR A 46 7.730 -7.968 -5.233 1.00 72.33 C ATOM 0 H THR A 46 10.451 -7.686 -3.709 1.00 5.23 H new ATOM 0 HA THR A 46 9.955 -9.140 -6.197 1.00 60.15 H new ATOM 0 HB THR A 46 8.768 -7.029 -6.846 1.00 21.20 H new ATOM 0 HG1 THR A 46 10.126 -6.052 -4.751 1.00 12.41 H new ATOM 0 HG21 THR A 46 6.870 -7.301 -5.294 1.00 72.33 H new ATOM 0 HG22 THR A 46 7.530 -8.872 -5.808 1.00 72.33 H new ATOM 0 HG23 THR A 46 7.911 -8.233 -4.191 1.00 72.33 H new ATOM 685 N GLY A 47 12.561 -7.743 -5.995 1.00 4.24 N ATOM 686 CA GLY A 47 13.728 -7.163 -6.634 1.00 3.12 C ATOM 687 C GLY A 47 13.594 -5.668 -6.840 1.00 11.41 C ATOM 688 O GLY A 47 14.182 -5.106 -7.765 1.00 73.11 O ATOM 0 H GLY A 47 12.761 -8.310 -5.171 1.00 4.24 H new ATOM 0 HA2 GLY A 47 14.609 -7.365 -6.025 1.00 3.12 H new ATOM 0 HA3 GLY A 47 13.888 -7.646 -7.598 1.00 3.12 H new ATOM 692 N ARG A 48 12.817 -5.021 -5.978 1.00 13.32 N ATOM 693 CA ARG A 48 12.604 -3.582 -6.071 1.00 41.13 C ATOM 694 C ARG A 48 13.363 -2.847 -4.969 1.00 2.05 C ATOM 695 O ARG A 48 13.550 -3.376 -3.874 1.00 15.41 O ATOM 696 CB ARG A 48 11.112 -3.258 -5.980 1.00 13.14 C ATOM 697 CG ARG A 48 10.305 -3.769 -7.162 1.00 32.11 C ATOM 698 CD ARG A 48 9.892 -2.635 -8.087 1.00 21.33 C ATOM 699 NE ARG A 48 11.046 -1.982 -8.701 1.00 73.20 N ATOM 700 CZ ARG A 48 11.788 -2.542 -9.649 1.00 4.12 C ATOM 701 NH1 ARG A 48 11.500 -3.758 -10.091 1.00 22.34 N ATOM 702 NH2 ARG A 48 12.823 -1.884 -10.158 1.00 55.22 N ATOM 0 H ARG A 48 12.324 -5.471 -5.207 1.00 13.32 H new ATOM 0 HA ARG A 48 12.983 -3.246 -7.036 1.00 41.13 H new ATOM 0 HB2 ARG A 48 10.710 -3.689 -5.063 1.00 13.14 H new ATOM 0 HB3 ARG A 48 10.987 -2.178 -5.905 1.00 13.14 H new ATOM 0 HG2 ARG A 48 10.895 -4.498 -7.719 1.00 32.11 H new ATOM 0 HG3 ARG A 48 9.417 -4.287 -6.801 1.00 32.11 H new ATOM 0 HD2 ARG A 48 9.238 -3.024 -8.867 1.00 21.33 H new ATOM 0 HD3 ARG A 48 9.316 -1.900 -7.525 1.00 21.33 H new ATOM 0 HE ARG A 48 11.295 -1.045 -8.384 1.00 73.20 H new ATOM 0 HH11 ARG A 48 10.706 -4.267 -9.703 1.00 22.34 H new ATOM 0 HH12 ARG A 48 12.072 -4.185 -10.819 1.00 22.34 H new ATOM 0 HH21 ARG A 48 13.048 -0.948 -9.821 1.00 55.22 H new ATOM 0 HH22 ARG A 48 13.393 -2.314 -10.886 1.00 55.22 H new ATOM 716 N GLU A 49 13.797 -1.628 -5.268 1.00 44.12 N ATOM 717 CA GLU A 49 14.537 -0.822 -4.303 1.00 43.02 C ATOM 718 C GLU A 49 13.784 -0.732 -2.980 1.00 34.45 C ATOM 719 O GLU A 49 12.579 -0.971 -2.904 1.00 34.41 O ATOM 720 CB GLU A 49 14.782 0.583 -4.859 1.00 24.55 C ATOM 721 CG GLU A 49 16.072 0.706 -5.654 1.00 52.30 C ATOM 722 CD GLU A 49 16.436 2.148 -5.954 1.00 35.54 C ATOM 723 OE1 GLU A 49 16.801 2.437 -7.113 1.00 73.25 O ATOM 724 OE2 GLU A 49 16.357 2.985 -5.030 1.00 24.42 O ATOM 0 H GLU A 49 13.650 -1.176 -6.170 1.00 44.12 H new ATOM 0 HA GLU A 49 15.497 -1.306 -4.124 1.00 43.02 H new ATOM 0 HB2 GLU A 49 13.944 0.864 -5.497 1.00 24.55 H new ATOM 0 HB3 GLU A 49 14.805 1.293 -4.032 1.00 24.55 H new ATOM 0 HG2 GLU A 49 16.884 0.238 -5.097 1.00 52.30 H new ATOM 0 HG3 GLU A 49 15.971 0.158 -6.591 1.00 52.30 H new ATOM 731 N PRO A 50 14.511 -0.382 -1.908 1.00 4.01 N ATOM 732 CA PRO A 50 13.934 -0.252 -0.567 1.00 44.02 C ATOM 733 C PRO A 50 13.002 0.949 -0.450 1.00 24.01 C ATOM 734 O PRO A 50 12.130 0.989 0.417 1.00 31.14 O ATOM 735 CB PRO A 50 15.160 -0.068 0.331 1.00 44.33 C ATOM 736 CG PRO A 50 16.202 0.510 -0.565 1.00 33.32 C ATOM 737 CD PRO A 50 15.953 -0.083 -1.924 1.00 43.44 C ATOM 0 HA PRO A 50 13.321 -1.113 -0.302 1.00 44.02 H new ATOM 0 HB2 PRO A 50 14.943 0.598 1.166 1.00 44.33 H new ATOM 0 HB3 PRO A 50 15.486 -1.017 0.756 1.00 44.33 H new ATOM 0 HG2 PRO A 50 16.132 1.597 -0.595 1.00 33.32 H new ATOM 0 HG3 PRO A 50 17.203 0.265 -0.209 1.00 33.32 H new ATOM 0 HD2 PRO A 50 16.209 0.616 -2.720 1.00 43.44 H new ATOM 0 HD3 PRO A 50 16.548 -0.982 -2.085 1.00 43.44 H new ATOM 745 N GLY A 51 13.192 1.927 -1.331 1.00 1.21 N ATOM 746 CA GLY A 51 12.360 3.116 -1.309 1.00 63.22 C ATOM 747 C GLY A 51 11.096 2.955 -2.130 1.00 1.12 C ATOM 748 O GLY A 51 10.769 3.810 -2.952 1.00 45.22 O ATOM 0 H GLY A 51 13.907 1.917 -2.059 1.00 1.21 H new ATOM 0 HA2 GLY A 51 12.093 3.350 -0.278 1.00 63.22 H new ATOM 0 HA3 GLY A 51 12.931 3.963 -1.690 1.00 63.22 H new ATOM 752 N ASP A 52 10.385 1.855 -1.909 1.00 0.12 N ATOM 753 CA ASP A 52 9.150 1.583 -2.636 1.00 23.03 C ATOM 754 C ASP A 52 7.934 1.985 -1.808 1.00 72.53 C ATOM 755 O ASP A 52 7.585 1.315 -0.836 1.00 15.23 O ATOM 756 CB ASP A 52 9.066 0.101 -3.005 1.00 1.13 C ATOM 757 CG ASP A 52 9.232 -0.135 -4.493 1.00 64.52 C ATOM 758 OD1 ASP A 52 10.321 0.166 -5.024 1.00 3.44 O ATOM 759 OD2 ASP A 52 8.273 -0.623 -5.127 1.00 14.34 O ATOM 0 H ASP A 52 10.643 1.137 -1.232 1.00 0.12 H new ATOM 0 HA ASP A 52 9.156 2.176 -3.551 1.00 23.03 H new ATOM 0 HB2 ASP A 52 9.836 -0.449 -2.465 1.00 1.13 H new ATOM 0 HB3 ASP A 52 8.104 -0.297 -2.682 1.00 1.13 H new ATOM 764 N ILE A 53 7.293 3.080 -2.200 1.00 41.14 N ATOM 765 CA ILE A 53 6.116 3.570 -1.495 1.00 73.24 C ATOM 766 C ILE A 53 5.086 4.135 -2.468 1.00 31.32 C ATOM 767 O ILE A 53 4.900 5.346 -2.580 1.00 10.23 O ATOM 768 CB ILE A 53 6.486 4.657 -0.468 1.00 43.14 C ATOM 769 CG1 ILE A 53 7.660 4.195 0.396 1.00 32.41 C ATOM 770 CG2 ILE A 53 5.283 4.998 0.399 1.00 43.20 C ATOM 771 CD1 ILE A 53 8.133 5.240 1.383 1.00 63.15 C ATOM 0 H ILE A 53 7.569 3.645 -3.003 1.00 41.14 H new ATOM 0 HA ILE A 53 5.686 2.717 -0.970 1.00 73.24 H new ATOM 0 HB ILE A 53 6.788 5.556 -1.005 1.00 43.14 H new ATOM 0 HG12 ILE A 53 7.368 3.298 0.942 1.00 32.41 H new ATOM 0 HG13 ILE A 53 8.491 3.917 -0.253 1.00 32.41 H new ATOM 0 HG21 ILE A 53 5.560 5.767 1.120 1.00 43.20 H new ATOM 0 HG22 ILE A 53 4.473 5.366 -0.231 1.00 43.20 H new ATOM 0 HG23 ILE A 53 4.953 4.105 0.930 1.00 43.20 H new ATOM 0 HD11 ILE A 53 8.967 4.843 1.961 1.00 63.15 H new ATOM 0 HD12 ILE A 53 8.457 6.130 0.843 1.00 63.15 H new ATOM 0 HD13 ILE A 53 7.316 5.501 2.056 1.00 63.15 H new ATOM 783 N PRO A 54 4.399 3.237 -3.189 1.00 72.34 N ATOM 784 CA PRO A 54 3.375 3.622 -4.165 1.00 13.12 C ATOM 785 C PRO A 54 2.125 4.189 -3.500 1.00 71.11 C ATOM 786 O PRO A 54 1.988 4.145 -2.278 1.00 72.10 O ATOM 787 CB PRO A 54 3.050 2.305 -4.877 1.00 5.30 C ATOM 788 CG PRO A 54 3.400 1.245 -3.890 1.00 63.35 C ATOM 789 CD PRO A 54 4.568 1.776 -3.109 1.00 12.45 C ATOM 0 HA PRO A 54 3.725 4.409 -4.833 1.00 13.12 H new ATOM 0 HB2 PRO A 54 1.997 2.255 -5.156 1.00 5.30 H new ATOM 0 HB3 PRO A 54 3.628 2.198 -5.795 1.00 5.30 H new ATOM 0 HG2 PRO A 54 2.557 1.030 -3.233 1.00 63.35 H new ATOM 0 HG3 PRO A 54 3.658 0.313 -4.393 1.00 63.35 H new ATOM 0 HD2 PRO A 54 4.553 1.426 -2.077 1.00 12.45 H new ATOM 0 HD3 PRO A 54 5.517 1.457 -3.540 1.00 12.45 H new ATOM 797 N GLU A 55 1.217 4.720 -4.312 1.00 45.53 N ATOM 798 CA GLU A 55 -0.021 5.297 -3.801 1.00 23.51 C ATOM 799 C GLU A 55 -1.172 5.064 -4.775 1.00 60.21 C ATOM 800 O GLU A 55 -1.993 5.952 -5.009 1.00 41.53 O ATOM 801 CB GLU A 55 0.154 6.797 -3.550 1.00 63.50 C ATOM 802 CG GLU A 55 0.993 7.114 -2.324 1.00 40.21 C ATOM 803 CD GLU A 55 2.361 7.665 -2.680 1.00 53.11 C ATOM 804 OE1 GLU A 55 2.455 8.429 -3.665 1.00 73.44 O ATOM 805 OE2 GLU A 55 3.336 7.334 -1.976 1.00 35.23 O ATOM 0 H GLU A 55 1.315 4.763 -5.326 1.00 45.53 H new ATOM 0 HA GLU A 55 -0.260 4.804 -2.859 1.00 23.51 H new ATOM 0 HB2 GLU A 55 0.618 7.252 -4.425 1.00 63.50 H new ATOM 0 HB3 GLU A 55 -0.829 7.255 -3.436 1.00 63.50 H new ATOM 0 HG2 GLU A 55 0.464 7.838 -1.704 1.00 40.21 H new ATOM 0 HG3 GLU A 55 1.114 6.210 -1.727 1.00 40.21 H new ATOM 812 N THR A 56 -1.226 3.862 -5.342 1.00 74.13 N ATOM 813 CA THR A 56 -2.275 3.512 -6.291 1.00 74.22 C ATOM 814 C THR A 56 -2.672 2.046 -6.156 1.00 31.12 C ATOM 815 O THR A 56 -1.817 1.171 -6.013 1.00 44.51 O ATOM 816 CB THR A 56 -1.832 3.781 -7.742 1.00 74.40 C ATOM 817 OG1 THR A 56 -0.882 2.792 -8.154 1.00 25.13 O ATOM 818 CG2 THR A 56 -1.219 5.166 -7.873 1.00 51.33 C ATOM 0 H THR A 56 -0.555 3.115 -5.160 1.00 74.13 H new ATOM 0 HA THR A 56 -3.134 4.141 -6.059 1.00 74.22 H new ATOM 0 HB THR A 56 -2.712 3.729 -8.383 1.00 74.40 H new ATOM 0 HG1 THR A 56 -0.396 3.114 -8.942 1.00 25.13 H new ATOM 0 HG21 THR A 56 -0.914 5.333 -8.906 1.00 51.33 H new ATOM 0 HG22 THR A 56 -1.954 5.918 -7.586 1.00 51.33 H new ATOM 0 HG23 THR A 56 -0.349 5.242 -7.221 1.00 51.33 H new ATOM 826 N LEU A 57 -3.973 1.784 -6.202 1.00 41.15 N ATOM 827 CA LEU A 57 -4.484 0.422 -6.085 1.00 65.45 C ATOM 828 C LEU A 57 -3.817 -0.499 -7.103 1.00 50.23 C ATOM 829 O LEU A 57 -3.634 -1.690 -6.850 1.00 43.41 O ATOM 830 CB LEU A 57 -6.001 0.406 -6.284 1.00 2.32 C ATOM 831 CG LEU A 57 -6.680 -0.958 -6.164 1.00 1.12 C ATOM 832 CD1 LEU A 57 -6.742 -1.397 -4.709 1.00 62.33 C ATOM 833 CD2 LEU A 57 -8.074 -0.916 -6.771 1.00 40.15 C ATOM 0 H LEU A 57 -4.694 2.496 -6.319 1.00 41.15 H new ATOM 0 HA LEU A 57 -4.251 0.058 -5.084 1.00 65.45 H new ATOM 0 HB2 LEU A 57 -6.450 1.078 -5.553 1.00 2.32 H new ATOM 0 HB3 LEU A 57 -6.222 0.814 -7.270 1.00 2.32 H new ATOM 0 HG LEU A 57 -6.088 -1.687 -6.717 1.00 1.12 H new ATOM 0 HD11 LEU A 57 -7.229 -2.370 -4.643 1.00 62.33 H new ATOM 0 HD12 LEU A 57 -5.731 -1.469 -4.307 1.00 62.33 H new ATOM 0 HD13 LEU A 57 -7.311 -0.667 -4.133 1.00 62.33 H new ATOM 0 HD21 LEU A 57 -8.542 -1.896 -6.676 1.00 40.15 H new ATOM 0 HD22 LEU A 57 -8.677 -0.174 -6.247 1.00 40.15 H new ATOM 0 HD23 LEU A 57 -8.004 -0.648 -7.825 1.00 40.15 H new ATOM 845 N ASP A 58 -3.455 0.062 -8.251 1.00 25.31 N ATOM 846 CA ASP A 58 -2.805 -0.708 -9.305 1.00 5.50 C ATOM 847 C ASP A 58 -1.408 -1.148 -8.875 1.00 53.11 C ATOM 848 O ASP A 58 -0.996 -2.278 -9.138 1.00 52.41 O ATOM 849 CB ASP A 58 -2.719 0.117 -10.590 1.00 43.11 C ATOM 850 CG ASP A 58 -3.979 0.919 -10.848 1.00 1.11 C ATOM 851 OD1 ASP A 58 -4.988 0.318 -11.273 1.00 52.21 O ATOM 852 OD2 ASP A 58 -3.957 2.148 -10.626 1.00 20.32 O ATOM 0 H ASP A 58 -3.600 1.046 -8.476 1.00 25.31 H new ATOM 0 HA ASP A 58 -3.405 -1.598 -9.493 1.00 5.50 H new ATOM 0 HB2 ASP A 58 -1.867 0.794 -10.527 1.00 43.11 H new ATOM 0 HB3 ASP A 58 -2.536 -0.548 -11.434 1.00 43.11 H new ATOM 857 N GLN A 59 -0.687 -0.249 -8.213 1.00 50.13 N ATOM 858 CA GLN A 59 0.662 -0.545 -7.749 1.00 12.43 C ATOM 859 C GLN A 59 0.646 -1.646 -6.694 1.00 33.22 C ATOM 860 O GLN A 59 1.509 -2.526 -6.686 1.00 53.42 O ATOM 861 CB GLN A 59 1.316 0.715 -7.177 1.00 75.02 C ATOM 862 CG GLN A 59 2.326 1.355 -8.114 1.00 51.13 C ATOM 863 CD GLN A 59 1.878 2.713 -8.615 1.00 42.50 C ATOM 864 OE1 GLN A 59 1.237 2.821 -9.661 1.00 43.54 O ATOM 865 NE2 GLN A 59 2.214 3.760 -7.870 1.00 51.21 N ATOM 0 H GLN A 59 -1.015 0.690 -7.986 1.00 50.13 H new ATOM 0 HA GLN A 59 1.244 -0.893 -8.603 1.00 12.43 H new ATOM 0 HB2 GLN A 59 0.539 1.443 -6.942 1.00 75.02 H new ATOM 0 HB3 GLN A 59 1.811 0.463 -6.239 1.00 75.02 H new ATOM 0 HG2 GLN A 59 3.280 1.459 -7.597 1.00 51.13 H new ATOM 0 HG3 GLN A 59 2.495 0.696 -8.965 1.00 51.13 H new ATOM 0 HE21 GLN A 59 2.746 3.625 -7.010 1.00 51.21 H new ATOM 0 HE22 GLN A 59 1.940 4.700 -8.158 1.00 51.21 H new ATOM 874 N LEU A 60 -0.340 -1.594 -5.806 1.00 53.03 N ATOM 875 CA LEU A 60 -0.470 -2.588 -4.746 1.00 11.15 C ATOM 876 C LEU A 60 -0.848 -3.949 -5.319 1.00 62.22 C ATOM 877 O LEU A 60 -0.121 -4.929 -5.152 1.00 12.41 O ATOM 878 CB LEU A 60 -1.520 -2.141 -3.727 1.00 62.21 C ATOM 879 CG LEU A 60 -1.011 -1.272 -2.576 1.00 72.31 C ATOM 880 CD1 LEU A 60 0.027 -2.024 -1.758 1.00 41.13 C ATOM 881 CD2 LEU A 60 -0.433 0.031 -3.108 1.00 43.43 C ATOM 0 H LEU A 60 -1.062 -0.874 -5.799 1.00 53.03 H new ATOM 0 HA LEU A 60 0.495 -2.680 -4.248 1.00 11.15 H new ATOM 0 HB2 LEU A 60 -2.298 -1.590 -4.255 1.00 62.21 H new ATOM 0 HB3 LEU A 60 -1.989 -3.030 -3.305 1.00 62.21 H new ATOM 0 HG LEU A 60 -1.852 -1.034 -1.925 1.00 72.31 H new ATOM 0 HD11 LEU A 60 0.378 -1.390 -0.944 1.00 41.13 H new ATOM 0 HD12 LEU A 60 -0.420 -2.929 -1.347 1.00 41.13 H new ATOM 0 HD13 LEU A 60 0.868 -2.293 -2.397 1.00 41.13 H new ATOM 0 HD21 LEU A 60 -0.076 0.637 -2.276 1.00 43.43 H new ATOM 0 HD22 LEU A 60 0.396 -0.187 -3.781 1.00 43.43 H new ATOM 0 HD23 LEU A 60 -1.205 0.577 -3.649 1.00 43.43 H new ATOM 893 N ARG A 61 -1.990 -4.003 -5.999 1.00 0.13 N ATOM 894 CA ARG A 61 -2.464 -5.245 -6.598 1.00 32.22 C ATOM 895 C ARG A 61 -1.405 -5.843 -7.520 1.00 13.15 C ATOM 896 O ARG A 61 -1.364 -7.056 -7.731 1.00 63.40 O ATOM 897 CB ARG A 61 -3.754 -4.998 -7.380 1.00 63.43 C ATOM 898 CG ARG A 61 -3.543 -4.239 -8.681 1.00 32.23 C ATOM 899 CD ARG A 61 -4.866 -3.887 -9.342 1.00 23.33 C ATOM 900 NE ARG A 61 -4.731 -3.732 -10.788 1.00 61.11 N ATOM 901 CZ ARG A 61 -4.689 -4.754 -11.636 1.00 0.20 C ATOM 902 NH1 ARG A 61 -4.770 -5.998 -11.184 1.00 52.33 N ATOM 903 NH2 ARG A 61 -4.565 -4.532 -12.938 1.00 34.31 N ATOM 0 H ARG A 61 -2.603 -3.202 -6.148 1.00 0.13 H new ATOM 0 HA ARG A 61 -2.664 -5.954 -5.794 1.00 32.22 H new ATOM 0 HB2 ARG A 61 -4.224 -5.956 -7.601 1.00 63.43 H new ATOM 0 HB3 ARG A 61 -4.448 -4.440 -6.752 1.00 63.43 H new ATOM 0 HG2 ARG A 61 -2.980 -3.327 -8.484 1.00 32.23 H new ATOM 0 HG3 ARG A 61 -2.944 -4.843 -9.363 1.00 32.23 H new ATOM 0 HD2 ARG A 61 -5.597 -4.667 -9.128 1.00 23.33 H new ATOM 0 HD3 ARG A 61 -5.251 -2.962 -8.913 1.00 23.33 H new ATOM 0 HE ARG A 61 -4.665 -2.788 -11.168 1.00 61.11 H new ATOM 0 HH11 ARG A 61 -4.865 -6.172 -10.183 1.00 52.33 H new ATOM 0 HH12 ARG A 61 -4.738 -6.781 -11.837 1.00 52.33 H new ATOM 0 HH21 ARG A 61 -4.502 -3.576 -13.289 1.00 34.31 H new ATOM 0 HH22 ARG A 61 -4.533 -5.317 -13.588 1.00 34.31 H new ATOM 917 N LEU A 62 -0.549 -4.986 -8.065 1.00 11.43 N ATOM 918 CA LEU A 62 0.510 -5.428 -8.963 1.00 2.12 C ATOM 919 C LEU A 62 1.598 -6.176 -8.198 1.00 13.44 C ATOM 920 O LEU A 62 1.873 -7.344 -8.470 1.00 44.14 O ATOM 921 CB LEU A 62 1.119 -4.231 -9.696 1.00 71.11 C ATOM 922 CG LEU A 62 0.489 -3.880 -11.044 1.00 64.01 C ATOM 923 CD1 LEU A 62 0.873 -2.468 -11.461 1.00 1.13 C ATOM 924 CD2 LEU A 62 0.909 -4.884 -12.107 1.00 23.52 C ATOM 0 H LEU A 62 -0.568 -3.980 -7.900 1.00 11.43 H new ATOM 0 HA LEU A 62 0.071 -6.108 -9.693 1.00 2.12 H new ATOM 0 HB2 LEU A 62 1.049 -3.358 -9.046 1.00 71.11 H new ATOM 0 HB3 LEU A 62 2.180 -4.427 -9.853 1.00 71.11 H new ATOM 0 HG LEU A 62 -0.595 -3.924 -10.939 1.00 64.01 H new ATOM 0 HD11 LEU A 62 0.416 -2.236 -12.423 1.00 1.13 H new ATOM 0 HD12 LEU A 62 0.522 -1.759 -10.711 1.00 1.13 H new ATOM 0 HD13 LEU A 62 1.957 -2.397 -11.548 1.00 1.13 H new ATOM 0 HD21 LEU A 62 0.451 -4.618 -13.060 1.00 23.52 H new ATOM 0 HD22 LEU A 62 1.994 -4.872 -12.210 1.00 23.52 H new ATOM 0 HD23 LEU A 62 0.583 -5.882 -11.814 1.00 23.52 H new ATOM 936 N VAL A 63 2.212 -5.494 -7.235 1.00 23.10 N ATOM 937 CA VAL A 63 3.266 -6.093 -6.427 1.00 24.44 C ATOM 938 C VAL A 63 2.806 -7.409 -5.811 1.00 32.51 C ATOM 939 O VAL A 63 3.600 -8.332 -5.625 1.00 3.41 O ATOM 940 CB VAL A 63 3.721 -5.144 -5.303 1.00 74.12 C ATOM 941 CG1 VAL A 63 4.812 -5.792 -4.465 1.00 53.04 C ATOM 942 CG2 VAL A 63 4.197 -3.822 -5.883 1.00 51.42 C ATOM 0 H VAL A 63 1.997 -4.526 -6.996 1.00 23.10 H new ATOM 0 HA VAL A 63 4.107 -6.282 -7.095 1.00 24.44 H new ATOM 0 HB VAL A 63 2.869 -4.944 -4.653 1.00 74.12 H new ATOM 0 HG11 VAL A 63 5.120 -5.106 -3.676 1.00 53.04 H new ATOM 0 HG12 VAL A 63 4.431 -6.711 -4.019 1.00 53.04 H new ATOM 0 HG13 VAL A 63 5.668 -6.024 -5.099 1.00 53.04 H new ATOM 0 HG21 VAL A 63 4.515 -3.163 -5.075 1.00 51.42 H new ATOM 0 HG22 VAL A 63 5.035 -4.001 -6.556 1.00 51.42 H new ATOM 0 HG23 VAL A 63 3.383 -3.352 -6.435 1.00 51.42 H new ATOM 952 N ILE A 64 1.517 -7.490 -5.497 1.00 24.43 N ATOM 953 CA ILE A 64 0.950 -8.694 -4.903 1.00 24.53 C ATOM 954 C ILE A 64 1.002 -9.865 -5.879 1.00 1.14 C ATOM 955 O ILE A 64 1.587 -10.907 -5.583 1.00 33.42 O ATOM 956 CB ILE A 64 -0.509 -8.472 -4.464 1.00 50.50 C ATOM 957 CG1 ILE A 64 -0.586 -7.353 -3.424 1.00 12.43 C ATOM 958 CG2 ILE A 64 -1.098 -9.760 -3.908 1.00 11.25 C ATOM 959 CD1 ILE A 64 -1.916 -6.632 -3.408 1.00 32.54 C ATOM 0 H ILE A 64 0.846 -6.736 -5.644 1.00 24.43 H new ATOM 0 HA ILE A 64 1.553 -8.927 -4.026 1.00 24.53 H new ATOM 0 HB ILE A 64 -1.093 -8.175 -5.335 1.00 50.50 H new ATOM 0 HG12 ILE A 64 -0.398 -7.773 -2.436 1.00 12.43 H new ATOM 0 HG13 ILE A 64 0.207 -6.631 -3.620 1.00 12.43 H new ATOM 0 HG21 ILE A 64 -2.130 -9.586 -3.602 1.00 11.25 H new ATOM 0 HG22 ILE A 64 -1.073 -10.533 -4.676 1.00 11.25 H new ATOM 0 HG23 ILE A 64 -0.514 -10.085 -3.047 1.00 11.25 H new ATOM 0 HD11 ILE A 64 -1.898 -5.852 -2.647 1.00 32.54 H new ATOM 0 HD12 ILE A 64 -2.098 -6.182 -4.384 1.00 32.54 H new ATOM 0 HD13 ILE A 64 -2.712 -7.342 -3.182 1.00 32.54 H new ATOM 971 N CYS A 65 0.388 -9.686 -7.043 1.00 42.20 N ATOM 972 CA CYS A 65 0.364 -10.727 -8.065 1.00 2.45 C ATOM 973 C CYS A 65 1.780 -11.173 -8.418 1.00 63.10 C ATOM 974 O CYS A 65 1.997 -12.311 -8.833 1.00 12.21 O ATOM 975 CB CYS A 65 -0.353 -10.226 -9.318 1.00 54.40 C ATOM 976 SG CYS A 65 -0.498 -11.461 -10.631 1.00 14.24 S ATOM 0 H CYS A 65 -0.100 -8.829 -7.303 1.00 42.20 H new ATOM 0 HA CYS A 65 -0.179 -11.583 -7.664 1.00 2.45 H new ATOM 0 HB2 CYS A 65 -1.351 -9.887 -9.041 1.00 54.40 H new ATOM 0 HB3 CYS A 65 0.181 -9.359 -9.707 1.00 54.40 H new ATOM 0 HG CYS A 65 0.427 -12.362 -10.483 1.00 14.24 H new ATOM 982 N ASP A 66 2.737 -10.268 -8.254 1.00 5.34 N ATOM 983 CA ASP A 66 4.133 -10.567 -8.557 1.00 1.31 C ATOM 984 C ASP A 66 4.757 -11.419 -7.456 1.00 23.42 C ATOM 985 O ASP A 66 5.090 -12.585 -7.673 1.00 33.21 O ATOM 986 CB ASP A 66 4.928 -9.272 -8.729 1.00 5.15 C ATOM 987 CG ASP A 66 4.238 -8.287 -9.652 1.00 4.20 C ATOM 988 OD1 ASP A 66 4.493 -7.072 -9.521 1.00 42.34 O ATOM 989 OD2 ASP A 66 3.444 -8.731 -10.507 1.00 35.12 O ATOM 0 H ASP A 66 2.573 -9.321 -7.913 1.00 5.34 H new ATOM 0 HA ASP A 66 4.165 -11.130 -9.490 1.00 1.31 H new ATOM 0 HB2 ASP A 66 5.077 -8.808 -7.754 1.00 5.15 H new ATOM 0 HB3 ASP A 66 5.916 -9.506 -9.125 1.00 5.15 H new ATOM 994 N LEU A 67 4.915 -10.830 -6.276 1.00 42.31 N ATOM 995 CA LEU A 67 5.500 -11.534 -5.141 1.00 0.04 C ATOM 996 C LEU A 67 4.779 -12.854 -4.889 1.00 31.22 C ATOM 997 O LEU A 67 5.408 -13.869 -4.593 1.00 13.15 O ATOM 998 CB LEU A 67 5.443 -10.660 -3.888 1.00 54.34 C ATOM 999 CG LEU A 67 5.938 -11.307 -2.594 1.00 71.43 C ATOM 1000 CD1 LEU A 67 7.382 -11.760 -2.743 1.00 74.22 C ATOM 1001 CD2 LEU A 67 5.798 -10.341 -1.427 1.00 34.54 C ATOM 0 H LEU A 67 4.646 -9.866 -6.080 1.00 42.31 H new ATOM 0 HA LEU A 67 6.542 -11.750 -5.377 1.00 0.04 H new ATOM 0 HB2 LEU A 67 6.032 -9.761 -4.069 1.00 54.34 H new ATOM 0 HB3 LEU A 67 4.412 -10.340 -3.739 1.00 54.34 H new ATOM 0 HG LEU A 67 5.323 -12.183 -2.390 1.00 71.43 H new ATOM 0 HD11 LEU A 67 7.717 -12.218 -1.813 1.00 74.22 H new ATOM 0 HD12 LEU A 67 7.454 -12.487 -3.552 1.00 74.22 H new ATOM 0 HD13 LEU A 67 8.011 -10.900 -2.972 1.00 74.22 H new ATOM 0 HD21 LEU A 67 6.155 -10.819 -0.515 1.00 34.54 H new ATOM 0 HD22 LEU A 67 6.388 -9.446 -1.623 1.00 34.54 H new ATOM 0 HD23 LEU A 67 4.750 -10.066 -1.306 1.00 34.54 H new ATOM 1013 N GLN A 68 3.456 -12.832 -5.010 1.00 52.30 N ATOM 1014 CA GLN A 68 2.649 -14.027 -4.796 1.00 24.32 C ATOM 1015 C GLN A 68 2.970 -15.095 -5.838 1.00 3.50 C ATOM 1016 O GLN A 68 3.331 -16.220 -5.495 1.00 44.13 O ATOM 1017 CB GLN A 68 1.160 -13.680 -4.848 1.00 15.34 C ATOM 1018 CG GLN A 68 0.259 -14.788 -4.328 1.00 63.11 C ATOM 1019 CD GLN A 68 0.014 -15.873 -5.359 1.00 42.00 C ATOM 1020 OE1 GLN A 68 0.160 -15.647 -6.561 1.00 21.04 O ATOM 1021 NE2 GLN A 68 -0.362 -17.058 -4.893 1.00 23.51 N ATOM 0 H GLN A 68 2.920 -12.000 -5.255 1.00 52.30 H new ATOM 0 HA GLN A 68 2.888 -14.423 -3.809 1.00 24.32 H new ATOM 0 HB2 GLN A 68 0.985 -12.777 -4.264 1.00 15.34 H new ATOM 0 HB3 GLN A 68 0.884 -13.452 -5.878 1.00 15.34 H new ATOM 0 HG2 GLN A 68 0.710 -15.231 -3.440 1.00 63.11 H new ATOM 0 HG3 GLN A 68 -0.696 -14.361 -4.022 1.00 63.11 H new ATOM 0 HE21 GLN A 68 -0.470 -17.200 -3.889 1.00 23.51 H new ATOM 0 HE22 GLN A 68 -0.542 -17.826 -5.539 1.00 23.51 H new ATOM 1030 N GLU A 69 2.836 -14.733 -7.109 1.00 44.54 N ATOM 1031 CA GLU A 69 3.112 -15.660 -8.200 1.00 41.43 C ATOM 1032 C GLU A 69 4.540 -16.191 -8.116 1.00 75.12 C ATOM 1033 O GLU A 69 4.835 -17.285 -8.596 1.00 1.12 O ATOM 1034 CB GLU A 69 2.890 -14.974 -9.550 1.00 73.54 C ATOM 1035 CG GLU A 69 3.079 -15.900 -10.741 1.00 64.10 C ATOM 1036 CD GLU A 69 2.135 -17.086 -10.715 1.00 14.44 C ATOM 1037 OE1 GLU A 69 0.967 -16.924 -11.124 1.00 14.22 O ATOM 1038 OE2 GLU A 69 2.564 -18.177 -10.283 1.00 1.53 O ATOM 0 H GLU A 69 2.538 -13.805 -7.409 1.00 44.54 H new ATOM 0 HA GLU A 69 2.425 -16.501 -8.110 1.00 41.43 H new ATOM 0 HB2 GLU A 69 1.881 -14.562 -9.577 1.00 73.54 H new ATOM 0 HB3 GLU A 69 3.580 -14.135 -9.640 1.00 73.54 H new ATOM 0 HG2 GLU A 69 2.924 -15.337 -11.662 1.00 64.10 H new ATOM 0 HG3 GLU A 69 4.108 -16.260 -10.757 1.00 64.10 H new ATOM 1045 N ARG A 70 5.420 -15.408 -7.502 1.00 30.14 N ATOM 1046 CA ARG A 70 6.818 -15.798 -7.356 1.00 53.43 C ATOM 1047 C ARG A 70 6.964 -16.920 -6.332 1.00 45.40 C ATOM 1048 O ARG A 70 7.373 -18.031 -6.670 1.00 11.35 O ATOM 1049 CB ARG A 70 7.663 -14.595 -6.933 1.00 24.01 C ATOM 1050 CG ARG A 70 7.922 -13.607 -8.060 1.00 71.23 C ATOM 1051 CD ARG A 70 9.410 -13.451 -8.334 1.00 74.25 C ATOM 1052 NE ARG A 70 9.664 -12.747 -9.588 1.00 31.44 N ATOM 1053 CZ ARG A 70 10.863 -12.309 -9.954 1.00 1.13 C ATOM 1054 NH1 ARG A 70 11.912 -12.501 -9.166 1.00 21.12 N ATOM 1055 NH2 ARG A 70 11.015 -11.677 -11.111 1.00 53.12 N ATOM 0 H ARG A 70 5.191 -14.500 -7.098 1.00 30.14 H new ATOM 0 HA ARG A 70 7.171 -16.161 -8.321 1.00 53.43 H new ATOM 0 HB2 ARG A 70 7.160 -14.078 -6.116 1.00 24.01 H new ATOM 0 HB3 ARG A 70 8.618 -14.950 -6.546 1.00 24.01 H new ATOM 0 HG2 ARG A 70 7.418 -13.946 -8.965 1.00 71.23 H new ATOM 0 HG3 ARG A 70 7.495 -12.638 -7.801 1.00 71.23 H new ATOM 0 HD2 ARG A 70 9.875 -12.907 -7.512 1.00 74.25 H new ATOM 0 HD3 ARG A 70 9.877 -14.435 -8.369 1.00 74.25 H new ATOM 0 HE ARG A 70 8.878 -12.583 -10.217 1.00 31.44 H new ATOM 0 HH11 ARG A 70 11.799 -12.986 -8.276 1.00 21.12 H new ATOM 0 HH12 ARG A 70 12.832 -12.163 -9.450 1.00 21.12 H new ATOM 0 HH21 ARG A 70 10.210 -11.527 -11.720 1.00 53.12 H new ATOM 0 HH22 ARG A 70 11.936 -11.341 -11.391 1.00 53.12 H new ATOM 1069 N ARG A 71 6.629 -16.621 -5.082 1.00 12.32 N ATOM 1070 CA ARG A 71 6.726 -17.604 -4.009 1.00 43.42 C ATOM 1071 C ARG A 71 5.777 -18.773 -4.256 1.00 52.43 C ATOM 1072 O ARG A 71 5.974 -19.866 -3.727 1.00 35.43 O ATOM 1073 CB ARG A 71 6.409 -16.952 -2.661 1.00 63.24 C ATOM 1074 CG ARG A 71 6.420 -17.928 -1.495 1.00 65.01 C ATOM 1075 CD ARG A 71 7.704 -18.742 -1.463 1.00 33.31 C ATOM 1076 NE ARG A 71 8.892 -17.892 -1.478 1.00 71.13 N ATOM 1077 CZ ARG A 71 10.086 -18.291 -1.057 1.00 14.13 C ATOM 1078 NH1 ARG A 71 10.251 -19.521 -0.589 1.00 10.10 N ATOM 1079 NH2 ARG A 71 11.119 -17.460 -1.101 1.00 30.03 N ATOM 0 H ARG A 71 6.288 -15.706 -4.787 1.00 12.32 H new ATOM 0 HA ARG A 71 7.747 -17.985 -3.990 1.00 43.42 H new ATOM 0 HB2 ARG A 71 7.135 -16.162 -2.469 1.00 63.24 H new ATOM 0 HB3 ARG A 71 5.429 -16.478 -2.718 1.00 63.24 H new ATOM 0 HG2 ARG A 71 6.312 -17.380 -0.559 1.00 65.01 H new ATOM 0 HG3 ARG A 71 5.564 -18.599 -1.572 1.00 65.01 H new ATOM 0 HD2 ARG A 71 7.716 -19.365 -0.569 1.00 33.31 H new ATOM 0 HD3 ARG A 71 7.728 -19.414 -2.321 1.00 33.31 H new ATOM 0 HE ARG A 71 8.799 -16.940 -1.831 1.00 71.13 H new ATOM 0 HH11 ARG A 71 9.459 -20.163 -0.552 1.00 10.10 H new ATOM 0 HH12 ARG A 71 11.170 -19.825 -0.266 1.00 10.10 H new ATOM 0 HH21 ARG A 71 10.997 -16.513 -1.459 1.00 30.03 H new ATOM 0 HH22 ARG A 71 12.036 -17.768 -0.777 1.00 30.03 H new ATOM 1093 N GLU A 72 4.748 -18.534 -5.064 1.00 12.54 N ATOM 1094 CA GLU A 72 3.769 -19.567 -5.379 1.00 65.02 C ATOM 1095 C GLU A 72 4.383 -20.644 -6.268 1.00 63.14 C ATOM 1096 O GLU A 72 4.478 -21.808 -5.878 1.00 2.11 O ATOM 1097 CB GLU A 72 2.551 -18.952 -6.071 1.00 12.51 C ATOM 1098 CG GLU A 72 1.543 -19.979 -6.555 1.00 61.51 C ATOM 1099 CD GLU A 72 0.388 -19.353 -7.314 1.00 2.53 C ATOM 1100 OE1 GLU A 72 -0.669 -20.007 -7.431 1.00 22.12 O ATOM 1101 OE2 GLU A 72 0.544 -18.209 -7.790 1.00 73.45 O ATOM 0 H GLU A 72 4.571 -17.635 -5.512 1.00 12.54 H new ATOM 0 HA GLU A 72 3.452 -20.029 -4.444 1.00 65.02 H new ATOM 0 HB2 GLU A 72 2.057 -18.269 -5.380 1.00 12.51 H new ATOM 0 HB3 GLU A 72 2.888 -18.358 -6.920 1.00 12.51 H new ATOM 0 HG2 GLU A 72 2.046 -20.701 -7.198 1.00 61.51 H new ATOM 0 HG3 GLU A 72 1.154 -20.531 -5.700 1.00 61.51 H new ATOM 1108 N LYS A 73 4.796 -20.249 -7.468 1.00 51.41 N ATOM 1109 CA LYS A 73 5.401 -21.178 -8.414 1.00 45.14 C ATOM 1110 C LYS A 73 6.690 -21.767 -7.850 1.00 62.14 C ATOM 1111 O LYS A 73 7.115 -22.851 -8.248 1.00 34.14 O ATOM 1112 CB LYS A 73 5.688 -20.472 -9.742 1.00 11.53 C ATOM 1113 CG LYS A 73 5.783 -21.418 -10.925 1.00 24.32 C ATOM 1114 CD LYS A 73 6.724 -20.884 -11.992 1.00 43.32 C ATOM 1115 CE LYS A 73 6.276 -21.294 -13.387 1.00 1.05 C ATOM 1116 NZ LYS A 73 5.614 -20.173 -14.109 1.00 31.22 N ATOM 0 H LYS A 73 4.722 -19.290 -7.808 1.00 51.41 H new ATOM 0 HA LYS A 73 4.696 -21.991 -8.587 1.00 45.14 H new ATOM 0 HB2 LYS A 73 4.901 -19.742 -9.933 1.00 11.53 H new ATOM 0 HB3 LYS A 73 6.623 -19.918 -9.655 1.00 11.53 H new ATOM 0 HG2 LYS A 73 6.133 -22.393 -10.585 1.00 24.32 H new ATOM 0 HG3 LYS A 73 4.792 -21.566 -11.354 1.00 24.32 H new ATOM 0 HD2 LYS A 73 6.769 -19.797 -11.928 1.00 43.32 H new ATOM 0 HD3 LYS A 73 7.732 -21.256 -11.809 1.00 43.32 H new ATOM 0 HE2 LYS A 73 7.138 -21.636 -13.960 1.00 1.05 H new ATOM 0 HE3 LYS A 73 5.588 -22.136 -13.314 1.00 1.05 H new ATOM 0 HZ1 LYS A 73 5.324 -20.493 -15.055 1.00 31.22 H new ATOM 0 HZ2 LYS A 73 4.776 -19.863 -13.576 1.00 31.22 H new ATOM 0 HZ3 LYS A 73 6.279 -19.379 -14.201 1.00 31.22 H new ATOM 1130 N PHE A 74 7.308 -21.045 -6.921 1.00 4.34 N ATOM 1131 CA PHE A 74 8.549 -21.496 -6.302 1.00 72.10 C ATOM 1132 C PHE A 74 8.263 -22.402 -5.106 1.00 43.45 C ATOM 1133 O PHE A 74 9.100 -23.212 -4.714 1.00 53.55 O ATOM 1134 CB PHE A 74 9.388 -20.297 -5.859 1.00 14.54 C ATOM 1135 CG PHE A 74 10.830 -20.635 -5.606 1.00 54.50 C ATOM 1136 CD1 PHE A 74 11.727 -20.733 -6.657 1.00 32.43 C ATOM 1137 CD2 PHE A 74 11.288 -20.853 -4.316 1.00 53.12 C ATOM 1138 CE1 PHE A 74 13.054 -21.044 -6.427 1.00 31.34 C ATOM 1139 CE2 PHE A 74 12.614 -21.164 -4.080 1.00 41.24 C ATOM 1140 CZ PHE A 74 13.497 -21.261 -5.137 1.00 45.40 C ATOM 0 H PHE A 74 6.970 -20.145 -6.580 1.00 4.34 H new ATOM 0 HA PHE A 74 9.108 -22.068 -7.043 1.00 72.10 H new ATOM 0 HB2 PHE A 74 9.333 -19.523 -6.624 1.00 14.54 H new ATOM 0 HB3 PHE A 74 8.957 -19.878 -4.950 1.00 14.54 H new ATOM 0 HD1 PHE A 74 11.386 -20.564 -7.668 1.00 32.43 H new ATOM 0 HD2 PHE A 74 10.601 -20.779 -3.486 1.00 53.12 H new ATOM 0 HE1 PHE A 74 13.744 -21.117 -7.255 1.00 31.34 H new ATOM 0 HE2 PHE A 74 12.959 -21.331 -3.070 1.00 41.24 H new ATOM 0 HZ PHE A 74 14.533 -21.506 -4.955 1.00 45.40 H new ATOM 1150 N GLY A 75 7.072 -22.255 -4.533 1.00 11.44 N ATOM 1151 CA GLY A 75 6.696 -23.063 -3.388 1.00 63.41 C ATOM 1152 C GLY A 75 5.713 -22.356 -2.477 1.00 15.51 C ATOM 1153 O GLY A 75 4.536 -22.216 -2.811 1.00 15.41 O ATOM 0 H GLY A 75 6.362 -21.591 -4.841 1.00 11.44 H new ATOM 0 HA2 GLY A 75 6.257 -23.998 -3.736 1.00 63.41 H new ATOM 0 HA3 GLY A 75 7.590 -23.322 -2.821 1.00 63.41 H new ATOM 1157 N SER A 76 6.195 -21.910 -1.321 1.00 41.52 N ATOM 1158 CA SER A 76 5.349 -21.218 -0.356 1.00 74.12 C ATOM 1159 C SER A 76 6.157 -20.789 0.866 1.00 62.34 C ATOM 1160 O SER A 76 6.863 -21.596 1.471 1.00 25.02 O ATOM 1161 CB SER A 76 4.190 -22.119 0.076 1.00 4.41 C ATOM 1162 OG SER A 76 4.570 -23.484 0.056 1.00 20.11 O ATOM 0 H SER A 76 7.167 -22.016 -1.030 1.00 41.52 H new ATOM 0 HA SER A 76 4.947 -20.326 -0.836 1.00 74.12 H new ATOM 0 HB2 SER A 76 3.866 -21.843 1.079 1.00 4.41 H new ATOM 0 HB3 SER A 76 3.339 -21.965 -0.588 1.00 4.41 H new ATOM 0 HG SER A 76 3.813 -24.039 0.337 1.00 20.11 H new ATOM 1168 N SER A 77 6.046 -19.513 1.222 1.00 22.15 N ATOM 1169 CA SER A 77 6.769 -18.975 2.369 1.00 74.01 C ATOM 1170 C SER A 77 5.820 -18.245 3.314 1.00 3.20 C ATOM 1171 O SER A 77 5.021 -17.410 2.889 1.00 60.24 O ATOM 1172 CB SER A 77 7.873 -18.025 1.902 1.00 23.11 C ATOM 1173 OG SER A 77 7.985 -16.909 2.767 1.00 53.15 O ATOM 0 H SER A 77 5.463 -18.833 0.734 1.00 22.15 H new ATOM 0 HA SER A 77 7.221 -19.808 2.907 1.00 74.01 H new ATOM 0 HB2 SER A 77 8.823 -18.557 1.865 1.00 23.11 H new ATOM 0 HB3 SER A 77 7.659 -17.684 0.889 1.00 23.11 H new ATOM 0 HG SER A 77 8.931 -16.692 2.900 1.00 53.15 H new ATOM 1179 N LYS A 78 5.914 -18.564 4.601 1.00 23.21 N ATOM 1180 CA LYS A 78 5.067 -17.939 5.609 1.00 42.44 C ATOM 1181 C LYS A 78 5.232 -16.422 5.594 1.00 33.35 C ATOM 1182 O LYS A 78 4.268 -15.687 5.391 1.00 51.22 O ATOM 1183 CB LYS A 78 5.403 -18.486 6.998 1.00 61.42 C ATOM 1184 CG LYS A 78 4.381 -19.478 7.524 1.00 31.44 C ATOM 1185 CD LYS A 78 4.018 -19.191 8.972 1.00 1.12 C ATOM 1186 CE LYS A 78 3.803 -20.475 9.758 1.00 41.25 C ATOM 1187 NZ LYS A 78 5.052 -20.933 10.427 1.00 63.14 N ATOM 0 H LYS A 78 6.569 -19.253 4.970 1.00 23.21 H new ATOM 0 HA LYS A 78 4.030 -18.176 5.374 1.00 42.44 H new ATOM 0 HB2 LYS A 78 6.380 -18.968 6.963 1.00 61.42 H new ATOM 0 HB3 LYS A 78 5.483 -17.654 7.698 1.00 61.42 H new ATOM 0 HG2 LYS A 78 3.483 -19.437 6.908 1.00 31.44 H new ATOM 0 HG3 LYS A 78 4.779 -20.490 7.441 1.00 31.44 H new ATOM 0 HD2 LYS A 78 4.811 -18.606 9.438 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.113 -18.585 9.008 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.027 -20.316 10.507 1.00 41.25 H new ATOM 0 HE3 LYS A 78 3.444 -21.255 9.087 1.00 41.25 H new ATOM 0 HZ1 LYS A 78 4.863 -21.811 10.952 1.00 63.14 H new ATOM 0 HZ2 LYS A 78 5.785 -21.109 9.711 1.00 63.14 H new ATOM 0 HZ3 LYS A 78 5.382 -20.199 11.086 1.00 63.14 H new ATOM 1201 N GLU A 79 6.461 -15.964 5.810 1.00 22.03 N ATOM 1202 CA GLU A 79 6.752 -14.535 5.821 1.00 71.13 C ATOM 1203 C GLU A 79 6.220 -13.862 4.558 1.00 71.42 C ATOM 1204 O GLU A 79 5.357 -12.987 4.626 1.00 65.22 O ATOM 1205 CB GLU A 79 8.259 -14.299 5.941 1.00 55.20 C ATOM 1206 CG GLU A 79 8.880 -14.947 7.167 1.00 53.33 C ATOM 1207 CD GLU A 79 10.200 -15.627 6.863 1.00 71.44 C ATOM 1208 OE1 GLU A 79 10.490 -16.667 7.490 1.00 44.21 O ATOM 1209 OE2 GLU A 79 10.943 -15.119 5.997 1.00 61.40 O ATOM 0 H GLU A 79 7.270 -16.561 5.980 1.00 22.03 H new ATOM 0 HA GLU A 79 6.253 -14.096 6.685 1.00 71.13 H new ATOM 0 HB2 GLU A 79 8.751 -14.684 5.048 1.00 55.20 H new ATOM 0 HB3 GLU A 79 8.449 -13.226 5.972 1.00 55.20 H new ATOM 0 HG2 GLU A 79 9.035 -14.189 7.935 1.00 53.33 H new ATOM 0 HG3 GLU A 79 8.185 -15.679 7.578 1.00 53.33 H new ATOM 1216 N ILE A 80 6.743 -14.277 3.409 1.00 71.42 N ATOM 1217 CA ILE A 80 6.321 -13.716 2.132 1.00 61.13 C ATOM 1218 C ILE A 80 4.802 -13.749 1.991 1.00 62.11 C ATOM 1219 O ILE A 80 4.198 -12.822 1.452 1.00 61.32 O ATOM 1220 CB ILE A 80 6.952 -14.473 0.948 1.00 51.23 C ATOM 1221 CG1 ILE A 80 8.478 -14.375 1.007 1.00 52.55 C ATOM 1222 CG2 ILE A 80 6.430 -13.922 -0.371 1.00 74.01 C ATOM 1223 CD1 ILE A 80 9.178 -15.214 -0.039 1.00 55.04 C ATOM 0 H ILE A 80 7.459 -14.999 3.337 1.00 71.42 H new ATOM 0 HA ILE A 80 6.662 -12.681 2.114 1.00 61.13 H new ATOM 0 HB ILE A 80 6.672 -15.524 1.016 1.00 51.23 H new ATOM 0 HG12 ILE A 80 8.772 -13.333 0.882 1.00 52.55 H new ATOM 0 HG13 ILE A 80 8.816 -14.685 1.996 1.00 52.55 H new ATOM 0 HG21 ILE A 80 6.885 -14.467 -1.198 1.00 74.01 H new ATOM 0 HG22 ILE A 80 5.347 -14.039 -0.411 1.00 74.01 H new ATOM 0 HG23 ILE A 80 6.684 -12.865 -0.450 1.00 74.01 H new ATOM 0 HD11 ILE A 80 10.257 -15.096 0.062 1.00 55.04 H new ATOM 0 HD12 ILE A 80 8.913 -16.262 0.099 1.00 55.04 H new ATOM 0 HD13 ILE A 80 8.869 -14.889 -1.033 1.00 55.04 H new ATOM 1235 N ASP A 81 4.193 -14.823 2.482 1.00 61.25 N ATOM 1236 CA ASP A 81 2.743 -14.977 2.413 1.00 11.53 C ATOM 1237 C ASP A 81 2.043 -13.877 3.205 1.00 71.33 C ATOM 1238 O ASP A 81 1.062 -13.295 2.742 1.00 53.20 O ATOM 1239 CB ASP A 81 2.330 -16.349 2.946 1.00 54.14 C ATOM 1240 CG ASP A 81 2.330 -17.413 1.866 1.00 12.11 C ATOM 1241 OD1 ASP A 81 2.687 -18.570 2.173 1.00 10.45 O ATOM 1242 OD2 ASP A 81 1.972 -17.090 0.715 1.00 20.13 O ATOM 0 H ASP A 81 4.679 -15.599 2.931 1.00 61.25 H new ATOM 0 HA ASP A 81 2.441 -14.896 1.369 1.00 11.53 H new ATOM 0 HB2 ASP A 81 3.011 -16.645 3.744 1.00 54.14 H new ATOM 0 HB3 ASP A 81 1.335 -16.281 3.385 1.00 54.14 H new ATOM 1247 N MET A 82 2.553 -13.598 4.400 1.00 70.21 N ATOM 1248 CA MET A 82 1.974 -12.568 5.256 1.00 22.24 C ATOM 1249 C MET A 82 2.116 -11.189 4.618 1.00 30.45 C ATOM 1250 O MET A 82 1.164 -10.411 4.583 1.00 20.11 O ATOM 1251 CB MET A 82 2.649 -12.580 6.630 1.00 65.05 C ATOM 1252 CG MET A 82 1.670 -12.718 7.785 1.00 4.33 C ATOM 1253 SD MET A 82 2.425 -13.450 9.250 1.00 42.54 S ATOM 1254 CE MET A 82 2.404 -12.055 10.374 1.00 43.23 C ATOM 0 H MET A 82 3.365 -14.070 4.798 1.00 70.21 H new ATOM 0 HA MET A 82 0.913 -12.784 5.378 1.00 22.24 H new ATOM 0 HB2 MET A 82 3.362 -13.403 6.668 1.00 65.05 H new ATOM 0 HB3 MET A 82 3.218 -11.659 6.755 1.00 65.05 H new ATOM 0 HG2 MET A 82 1.272 -11.735 8.038 1.00 4.33 H new ATOM 0 HG3 MET A 82 0.826 -13.332 7.470 1.00 4.33 H new ATOM 0 HE1 MET A 82 2.950 -12.311 11.282 1.00 43.23 H new ATOM 0 HE2 MET A 82 2.876 -11.196 9.897 1.00 43.23 H new ATOM 0 HE3 MET A 82 1.373 -11.808 10.628 1.00 43.23 H new ATOM 1264 N ALA A 83 3.311 -10.895 4.116 1.00 1.11 N ATOM 1265 CA ALA A 83 3.575 -9.611 3.478 1.00 32.14 C ATOM 1266 C ALA A 83 2.570 -9.333 2.366 1.00 2.25 C ATOM 1267 O ALA A 83 2.074 -8.214 2.231 1.00 60.10 O ATOM 1268 CB ALA A 83 4.995 -9.576 2.931 1.00 74.14 C ATOM 0 H ALA A 83 4.111 -11.528 4.139 1.00 1.11 H new ATOM 0 HA ALA A 83 3.468 -8.830 4.231 1.00 32.14 H new ATOM 0 HB1 ALA A 83 5.179 -8.612 2.457 1.00 74.14 H new ATOM 0 HB2 ALA A 83 5.703 -9.720 3.747 1.00 74.14 H new ATOM 0 HB3 ALA A 83 5.122 -10.371 2.196 1.00 74.14 H new ATOM 1274 N ILE A 84 2.275 -10.357 1.572 1.00 54.41 N ATOM 1275 CA ILE A 84 1.328 -10.221 0.472 1.00 42.52 C ATOM 1276 C ILE A 84 -0.066 -9.877 0.986 1.00 3.31 C ATOM 1277 O ILE A 84 -0.664 -8.883 0.572 1.00 33.34 O ATOM 1278 CB ILE A 84 1.251 -11.511 -0.365 1.00 25.21 C ATOM 1279 CG1 ILE A 84 2.624 -11.848 -0.951 1.00 41.44 C ATOM 1280 CG2 ILE A 84 0.218 -11.362 -1.473 1.00 23.10 C ATOM 1281 CD1 ILE A 84 2.825 -13.324 -1.208 1.00 63.20 C ATOM 0 H ILE A 84 2.678 -11.289 1.670 1.00 54.41 H new ATOM 0 HA ILE A 84 1.690 -9.409 -0.159 1.00 42.52 H new ATOM 0 HB ILE A 84 0.943 -12.330 0.285 1.00 25.21 H new ATOM 0 HG12 ILE A 84 2.754 -11.304 -1.886 1.00 41.44 H new ATOM 0 HG13 ILE A 84 3.398 -11.498 -0.268 1.00 41.44 H new ATOM 0 HG21 ILE A 84 0.175 -12.282 -2.056 1.00 23.10 H new ATOM 0 HG22 ILE A 84 -0.760 -11.164 -1.034 1.00 23.10 H new ATOM 0 HG23 ILE A 84 0.499 -10.533 -2.123 1.00 23.10 H new ATOM 0 HD11 ILE A 84 3.819 -13.489 -1.623 1.00 63.20 H new ATOM 0 HD12 ILE A 84 2.727 -13.873 -0.272 1.00 63.20 H new ATOM 0 HD13 ILE A 84 2.074 -13.676 -1.915 1.00 63.20 H new ATOM 1293 N VAL A 85 -0.577 -10.704 1.891 1.00 74.13 N ATOM 1294 CA VAL A 85 -1.900 -10.487 2.465 1.00 60.13 C ATOM 1295 C VAL A 85 -1.984 -9.129 3.153 1.00 72.44 C ATOM 1296 O VAL A 85 -3.068 -8.561 3.300 1.00 4.20 O ATOM 1297 CB VAL A 85 -2.260 -11.587 3.480 1.00 34.32 C ATOM 1298 CG1 VAL A 85 -3.709 -11.453 3.922 1.00 74.31 C ATOM 1299 CG2 VAL A 85 -2.000 -12.964 2.887 1.00 50.13 C ATOM 0 H VAL A 85 -0.095 -11.531 2.243 1.00 74.13 H new ATOM 0 HA VAL A 85 -2.611 -10.518 1.640 1.00 60.13 H new ATOM 0 HB VAL A 85 -1.625 -11.469 4.358 1.00 34.32 H new ATOM 0 HG11 VAL A 85 -3.945 -12.239 4.639 1.00 74.31 H new ATOM 0 HG12 VAL A 85 -3.859 -10.479 4.389 1.00 74.31 H new ATOM 0 HG13 VAL A 85 -4.364 -11.544 3.055 1.00 74.31 H new ATOM 0 HG21 VAL A 85 -2.260 -13.730 3.618 1.00 50.13 H new ATOM 0 HG22 VAL A 85 -2.608 -13.095 1.992 1.00 50.13 H new ATOM 0 HG23 VAL A 85 -0.946 -13.055 2.626 1.00 50.13 H new ATOM 1309 N THR A 86 -0.835 -8.611 3.572 1.00 1.05 N ATOM 1310 CA THR A 86 -0.777 -7.320 4.246 1.00 64.42 C ATOM 1311 C THR A 86 -1.061 -6.180 3.274 1.00 1.05 C ATOM 1312 O THR A 86 -1.934 -5.347 3.516 1.00 0.44 O ATOM 1313 CB THR A 86 0.597 -7.089 4.903 1.00 30.51 C ATOM 1314 OG1 THR A 86 0.847 -8.103 5.884 1.00 43.34 O ATOM 1315 CG2 THR A 86 0.661 -5.718 5.556 1.00 45.42 C ATOM 0 H THR A 86 0.070 -9.067 3.456 1.00 1.05 H new ATOM 0 HA THR A 86 -1.543 -7.334 5.021 1.00 64.42 H new ATOM 0 HB THR A 86 1.360 -7.139 4.126 1.00 30.51 H new ATOM 0 HG1 THR A 86 0.856 -8.982 5.451 1.00 43.34 H new ATOM 0 HG21 THR A 86 1.641 -5.578 6.013 1.00 45.42 H new ATOM 0 HG22 THR A 86 0.499 -4.948 4.802 1.00 45.42 H new ATOM 0 HG23 THR A 86 -0.111 -5.643 6.322 1.00 45.42 H new ATOM 1323 N LEU A 87 -0.318 -6.150 2.172 1.00 72.05 N ATOM 1324 CA LEU A 87 -0.490 -5.112 1.162 1.00 74.00 C ATOM 1325 C LEU A 87 -1.860 -5.219 0.499 1.00 11.23 C ATOM 1326 O LEU A 87 -2.380 -4.241 -0.037 1.00 72.24 O ATOM 1327 CB LEU A 87 0.611 -5.214 0.105 1.00 64.45 C ATOM 1328 CG LEU A 87 2.039 -5.347 0.634 1.00 60.54 C ATOM 1329 CD1 LEU A 87 2.948 -5.943 -0.430 1.00 2.52 C ATOM 1330 CD2 LEU A 87 2.566 -3.996 1.093 1.00 71.51 C ATOM 0 H LEU A 87 0.409 -6.832 1.956 1.00 72.05 H new ATOM 0 HA LEU A 87 -0.421 -4.143 1.656 1.00 74.00 H new ATOM 0 HB2 LEU A 87 0.399 -6.074 -0.530 1.00 64.45 H new ATOM 0 HB3 LEU A 87 0.561 -4.329 -0.529 1.00 64.45 H new ATOM 0 HG LEU A 87 2.028 -6.020 1.492 1.00 60.54 H new ATOM 0 HD11 LEU A 87 3.961 -6.030 -0.036 1.00 2.52 H new ATOM 0 HD12 LEU A 87 2.581 -6.930 -0.710 1.00 2.52 H new ATOM 0 HD13 LEU A 87 2.955 -5.296 -1.307 1.00 2.52 H new ATOM 0 HD21 LEU A 87 3.584 -4.110 1.466 1.00 71.51 H new ATOM 0 HD22 LEU A 87 2.563 -3.300 0.254 1.00 71.51 H new ATOM 0 HD23 LEU A 87 1.929 -3.608 1.888 1.00 71.51 H new ATOM 1342 N LYS A 88 -2.440 -6.414 0.541 1.00 61.32 N ATOM 1343 CA LYS A 88 -3.751 -6.650 -0.052 1.00 0.31 C ATOM 1344 C LYS A 88 -4.847 -5.973 0.764 1.00 11.23 C ATOM 1345 O LYS A 88 -5.529 -5.071 0.280 1.00 41.14 O ATOM 1346 CB LYS A 88 -4.026 -8.152 -0.150 1.00 70.41 C ATOM 1347 CG LYS A 88 -3.430 -8.800 -1.387 1.00 61.40 C ATOM 1348 CD LYS A 88 -4.003 -10.188 -1.621 1.00 2.12 C ATOM 1349 CE LYS A 88 -3.295 -11.233 -0.772 1.00 73.40 C ATOM 1350 NZ LYS A 88 -3.038 -12.486 -1.535 1.00 13.20 N ATOM 0 H LYS A 88 -2.022 -7.235 0.980 1.00 61.32 H new ATOM 0 HA LYS A 88 -3.752 -6.221 -1.054 1.00 0.31 H new ATOM 0 HB2 LYS A 88 -3.626 -8.645 0.736 1.00 70.41 H new ATOM 0 HB3 LYS A 88 -5.104 -8.316 -0.147 1.00 70.41 H new ATOM 0 HG2 LYS A 88 -3.626 -8.173 -2.257 1.00 61.40 H new ATOM 0 HG3 LYS A 88 -2.347 -8.866 -1.278 1.00 61.40 H new ATOM 0 HD2 LYS A 88 -5.068 -10.188 -1.387 1.00 2.12 H new ATOM 0 HD3 LYS A 88 -3.909 -10.449 -2.675 1.00 2.12 H new ATOM 0 HE2 LYS A 88 -2.350 -10.828 -0.410 1.00 73.40 H new ATOM 0 HE3 LYS A 88 -3.901 -11.460 0.105 1.00 73.40 H new ATOM 0 HZ1 LYS A 88 -2.894 -13.273 -0.871 1.00 13.20 H new ATOM 0 HZ2 LYS A 88 -3.853 -12.694 -2.146 1.00 13.20 H new ATOM 0 HZ3 LYS A 88 -2.187 -12.367 -2.121 1.00 13.20 H new ATOM 1364 N VAL A 89 -5.010 -6.414 2.008 1.00 1.00 N ATOM 1365 CA VAL A 89 -6.021 -5.849 2.893 1.00 31.41 C ATOM 1366 C VAL A 89 -5.886 -4.333 2.986 1.00 34.32 C ATOM 1367 O VAL A 89 -6.882 -3.610 3.003 1.00 72.02 O ATOM 1368 CB VAL A 89 -5.927 -6.449 4.308 1.00 35.14 C ATOM 1369 CG1 VAL A 89 -4.527 -6.268 4.874 1.00 5.10 C ATOM 1370 CG2 VAL A 89 -6.967 -5.820 5.224 1.00 5.20 C ATOM 0 H VAL A 89 -4.454 -7.161 2.425 1.00 1.00 H new ATOM 0 HA VAL A 89 -6.991 -6.099 2.464 1.00 31.41 H new ATOM 0 HB VAL A 89 -6.131 -7.518 4.244 1.00 35.14 H new ATOM 0 HG11 VAL A 89 -4.481 -6.698 5.874 1.00 5.10 H new ATOM 0 HG12 VAL A 89 -3.806 -6.770 4.229 1.00 5.10 H new ATOM 0 HG13 VAL A 89 -4.290 -5.205 4.925 1.00 5.10 H new ATOM 0 HG21 VAL A 89 -6.886 -6.256 6.220 1.00 5.20 H new ATOM 0 HG22 VAL A 89 -6.797 -4.745 5.284 1.00 5.20 H new ATOM 0 HG23 VAL A 89 -7.964 -6.008 4.826 1.00 5.20 H new ATOM 1380 N PHE A 90 -4.646 -3.858 3.045 1.00 54.22 N ATOM 1381 CA PHE A 90 -4.380 -2.427 3.137 1.00 21.42 C ATOM 1382 C PHE A 90 -4.803 -1.712 1.857 1.00 23.13 C ATOM 1383 O PHE A 90 -5.359 -0.615 1.901 1.00 24.53 O ATOM 1384 CB PHE A 90 -2.894 -2.180 3.406 1.00 60.22 C ATOM 1385 CG PHE A 90 -2.482 -0.747 3.225 1.00 55.45 C ATOM 1386 CD1 PHE A 90 -2.056 -0.285 1.990 1.00 72.30 C ATOM 1387 CD2 PHE A 90 -2.523 0.138 4.290 1.00 1.43 C ATOM 1388 CE1 PHE A 90 -1.678 1.034 1.820 1.00 35.14 C ATOM 1389 CE2 PHE A 90 -2.145 1.457 4.127 1.00 42.24 C ATOM 1390 CZ PHE A 90 -1.721 1.906 2.891 1.00 72.21 C ATOM 0 H PHE A 90 -3.810 -4.443 3.031 1.00 54.22 H new ATOM 0 HA PHE A 90 -4.964 -2.026 3.966 1.00 21.42 H new ATOM 0 HB2 PHE A 90 -2.661 -2.491 4.424 1.00 60.22 H new ATOM 0 HB3 PHE A 90 -2.303 -2.807 2.738 1.00 60.22 H new ATOM 0 HD1 PHE A 90 -2.019 -0.963 1.150 1.00 72.30 H new ATOM 0 HD2 PHE A 90 -2.854 -0.207 5.258 1.00 1.43 H new ATOM 0 HE1 PHE A 90 -1.350 1.382 0.852 1.00 35.14 H new ATOM 0 HE2 PHE A 90 -2.181 2.137 4.965 1.00 42.24 H new ATOM 0 HZ PHE A 90 -1.424 2.936 2.762 1.00 72.21 H new ATOM 1400 N ALA A 91 -4.534 -2.342 0.717 1.00 34.34 N ATOM 1401 CA ALA A 91 -4.888 -1.769 -0.574 1.00 23.23 C ATOM 1402 C ALA A 91 -6.387 -1.506 -0.667 1.00 10.01 C ATOM 1403 O ALA A 91 -6.814 -0.416 -1.048 1.00 4.04 O ATOM 1404 CB ALA A 91 -4.440 -2.689 -1.700 1.00 63.11 C ATOM 0 H ALA A 91 -4.072 -3.250 0.663 1.00 34.34 H new ATOM 0 HA ALA A 91 -4.372 -0.814 -0.673 1.00 23.23 H new ATOM 0 HB1 ALA A 91 -4.711 -2.248 -2.659 1.00 63.11 H new ATOM 0 HB2 ALA A 91 -3.359 -2.821 -1.654 1.00 63.11 H new ATOM 0 HB3 ALA A 91 -4.929 -3.658 -1.595 1.00 63.11 H new ATOM 1410 N VAL A 92 -7.182 -2.512 -0.317 1.00 51.31 N ATOM 1411 CA VAL A 92 -8.634 -2.388 -0.360 1.00 22.35 C ATOM 1412 C VAL A 92 -9.147 -1.524 0.785 1.00 33.21 C ATOM 1413 O VAL A 92 -10.036 -0.694 0.600 1.00 12.45 O ATOM 1414 CB VAL A 92 -9.317 -3.768 -0.294 1.00 0.32 C ATOM 1415 CG1 VAL A 92 -8.972 -4.595 -1.524 1.00 51.41 C ATOM 1416 CG2 VAL A 92 -8.917 -4.498 0.979 1.00 31.45 C ATOM 0 H VAL A 92 -6.845 -3.421 -0.001 1.00 51.31 H new ATOM 0 HA VAL A 92 -8.883 -1.912 -1.309 1.00 22.35 H new ATOM 0 HB VAL A 92 -10.397 -3.620 -0.278 1.00 0.32 H new ATOM 0 HG11 VAL A 92 -9.463 -5.566 -1.459 1.00 51.41 H new ATOM 0 HG12 VAL A 92 -9.313 -4.075 -2.419 1.00 51.41 H new ATOM 0 HG13 VAL A 92 -7.893 -4.737 -1.576 1.00 51.41 H new ATOM 0 HG21 VAL A 92 -9.408 -5.471 1.010 1.00 31.45 H new ATOM 0 HG22 VAL A 92 -7.836 -4.636 0.995 1.00 31.45 H new ATOM 0 HG23 VAL A 92 -9.220 -3.911 1.846 1.00 31.45 H new ATOM 1426 N ALA A 93 -8.580 -1.725 1.970 1.00 14.12 N ATOM 1427 CA ALA A 93 -8.978 -0.963 3.147 1.00 4.33 C ATOM 1428 C ALA A 93 -8.550 0.496 3.026 1.00 13.41 C ATOM 1429 O ALA A 93 -8.969 1.344 3.813 1.00 35.45 O ATOM 1430 CB ALA A 93 -8.388 -1.585 4.404 1.00 54.44 C ATOM 0 H ALA A 93 -7.843 -2.410 2.140 1.00 14.12 H new ATOM 0 HA ALA A 93 -10.065 -0.992 3.217 1.00 4.33 H new ATOM 0 HB1 ALA A 93 -8.694 -1.005 5.275 1.00 54.44 H new ATOM 0 HB2 ALA A 93 -8.747 -2.609 4.506 1.00 54.44 H new ATOM 0 HB3 ALA A 93 -7.300 -1.587 4.333 1.00 54.44 H new ATOM 1436 N GLY A 94 -7.712 0.782 2.034 1.00 14.34 N ATOM 1437 CA GLY A 94 -7.241 2.139 1.830 1.00 65.00 C ATOM 1438 C GLY A 94 -7.787 2.757 0.558 1.00 73.03 C ATOM 1439 O GLY A 94 -8.574 3.704 0.606 1.00 12.55 O ATOM 0 H GLY A 94 -7.351 0.098 1.369 1.00 14.34 H new ATOM 0 HA2 GLY A 94 -7.531 2.753 2.682 1.00 65.00 H new ATOM 0 HA3 GLY A 94 -6.152 2.140 1.793 1.00 65.00 H new ATOM 1443 N LEU A 95 -7.369 2.222 -0.585 1.00 55.34 N ATOM 1444 CA LEU A 95 -7.822 2.729 -1.876 1.00 21.13 C ATOM 1445 C LEU A 95 -9.329 2.552 -2.033 1.00 25.33 C ATOM 1446 O LEU A 95 -9.976 3.287 -2.778 1.00 62.23 O ATOM 1447 CB LEU A 95 -7.091 2.009 -3.011 1.00 51.42 C ATOM 1448 CG LEU A 95 -5.611 2.355 -3.182 1.00 61.41 C ATOM 1449 CD1 LEU A 95 -5.412 3.863 -3.183 1.00 13.04 C ATOM 1450 CD2 LEU A 95 -4.782 1.706 -2.084 1.00 13.40 C ATOM 0 H LEU A 95 -6.718 1.439 -0.644 1.00 55.34 H new ATOM 0 HA LEU A 95 -7.594 3.794 -1.922 1.00 21.13 H new ATOM 0 HB2 LEU A 95 -7.176 0.935 -2.847 1.00 51.42 H new ATOM 0 HB3 LEU A 95 -7.606 2.230 -3.946 1.00 51.42 H new ATOM 0 HG LEU A 95 -5.274 1.965 -4.142 1.00 61.41 H new ATOM 0 HD11 LEU A 95 -4.353 4.090 -3.306 1.00 13.04 H new ATOM 0 HD12 LEU A 95 -5.975 4.304 -4.005 1.00 13.04 H new ATOM 0 HD13 LEU A 95 -5.765 4.277 -2.239 1.00 13.04 H new ATOM 0 HD21 LEU A 95 -3.732 1.963 -2.221 1.00 13.40 H new ATOM 0 HD22 LEU A 95 -5.120 2.066 -1.112 1.00 13.40 H new ATOM 0 HD23 LEU A 95 -4.900 0.623 -2.131 1.00 13.40 H new ATOM 1462 N LEU A 96 -9.881 1.572 -1.325 1.00 50.15 N ATOM 1463 CA LEU A 96 -11.313 1.300 -1.384 1.00 52.03 C ATOM 1464 C LEU A 96 -11.978 1.593 -0.043 1.00 14.01 C ATOM 1465 O LEU A 96 -13.182 1.397 0.119 1.00 53.12 O ATOM 1466 CB LEU A 96 -11.559 -0.157 -1.781 1.00 12.31 C ATOM 1467 CG LEU A 96 -12.648 -0.393 -2.827 1.00 54.35 C ATOM 1468 CD1 LEU A 96 -12.154 -1.338 -3.910 1.00 74.42 C ATOM 1469 CD2 LEU A 96 -13.908 -0.942 -2.171 1.00 1.42 C ATOM 0 H LEU A 96 -9.359 0.953 -0.704 1.00 50.15 H new ATOM 0 HA LEU A 96 -11.752 1.954 -2.137 1.00 52.03 H new ATOM 0 HB2 LEU A 96 -10.625 -0.572 -2.158 1.00 12.31 H new ATOM 0 HB3 LEU A 96 -11.818 -0.718 -0.883 1.00 12.31 H new ATOM 0 HG LEU A 96 -12.891 0.563 -3.292 1.00 54.35 H new ATOM 0 HD11 LEU A 96 -12.944 -1.493 -4.645 1.00 74.42 H new ATOM 0 HD12 LEU A 96 -11.282 -0.905 -4.400 1.00 74.42 H new ATOM 0 HD13 LEU A 96 -11.882 -2.294 -3.462 1.00 74.42 H new ATOM 0 HD21 LEU A 96 -14.673 -1.104 -2.931 1.00 1.42 H new ATOM 0 HD22 LEU A 96 -13.680 -1.887 -1.679 1.00 1.42 H new ATOM 0 HD23 LEU A 96 -14.275 -0.228 -1.433 1.00 1.42 H new ATOM 1481 N ASN A 97 -11.187 2.065 0.915 1.00 25.11 N ATOM 1482 CA ASN A 97 -11.700 2.386 2.241 1.00 14.35 C ATOM 1483 C ASN A 97 -12.507 1.223 2.809 1.00 3.51 C ATOM 1484 O ASN A 97 -13.447 1.423 3.577 1.00 44.54 O ATOM 1485 CB ASN A 97 -12.568 3.645 2.184 1.00 64.45 C ATOM 1486 CG ASN A 97 -12.286 4.595 3.331 1.00 40.01 C ATOM 1487 OD1 ASN A 97 -13.029 4.640 4.311 1.00 73.05 O ATOM 1488 ND2 ASN A 97 -11.207 5.360 3.214 1.00 65.05 N ATOM 0 H ASN A 97 -10.188 2.234 0.797 1.00 25.11 H new ATOM 0 HA ASN A 97 -10.849 2.569 2.898 1.00 14.35 H new ATOM 0 HB2 ASN A 97 -12.395 4.160 1.239 1.00 64.45 H new ATOM 0 HB3 ASN A 97 -13.620 3.359 2.203 1.00 64.45 H new ATOM 0 HD21 ASN A 97 -10.966 6.018 3.955 1.00 65.05 H new ATOM 0 HD22 ASN A 97 -10.619 5.289 2.383 1.00 65.05 H new ATOM 1495 N MET A 98 -12.131 0.007 2.426 1.00 72.43 N ATOM 1496 CA MET A 98 -12.819 -1.188 2.899 1.00 73.41 C ATOM 1497 C MET A 98 -12.611 -1.379 4.398 1.00 13.35 C ATOM 1498 O MET A 98 -11.579 -0.991 4.947 1.00 2.11 O ATOM 1499 CB MET A 98 -12.322 -2.422 2.143 1.00 70.32 C ATOM 1500 CG MET A 98 -13.442 -3.295 1.600 1.00 61.21 C ATOM 1501 SD MET A 98 -12.836 -4.822 0.859 1.00 23.43 S ATOM 1502 CE MET A 98 -14.270 -5.880 1.041 1.00 12.33 C ATOM 0 H MET A 98 -11.355 -0.176 1.790 1.00 72.43 H new ATOM 0 HA MET A 98 -13.885 -1.060 2.711 1.00 73.41 H new ATOM 0 HB2 MET A 98 -11.690 -2.101 1.316 1.00 70.32 H new ATOM 0 HB3 MET A 98 -11.698 -3.018 2.808 1.00 70.32 H new ATOM 0 HG2 MET A 98 -14.133 -3.537 2.408 1.00 61.21 H new ATOM 0 HG3 MET A 98 -14.006 -2.734 0.855 1.00 61.21 H new ATOM 0 HE1 MET A 98 -14.051 -6.864 0.628 1.00 12.33 H new ATOM 0 HE2 MET A 98 -14.519 -5.977 2.098 1.00 12.33 H new ATOM 0 HE3 MET A 98 -15.115 -5.443 0.508 1.00 12.33 H new ATOM 1512 N THR A 99 -13.597 -1.980 5.057 1.00 54.41 N ATOM 1513 CA THR A 99 -13.523 -2.219 6.493 1.00 22.32 C ATOM 1514 C THR A 99 -13.254 -3.690 6.790 1.00 2.43 C ATOM 1515 O THR A 99 -13.960 -4.312 7.584 1.00 60.51 O ATOM 1516 CB THR A 99 -14.822 -1.793 7.202 1.00 40.30 C ATOM 1517 OG1 THR A 99 -14.723 -2.060 8.606 1.00 1.30 O ATOM 1518 CG2 THR A 99 -16.021 -2.528 6.624 1.00 71.31 C ATOM 0 H THR A 99 -14.457 -2.310 4.619 1.00 54.41 H new ATOM 0 HA THR A 99 -12.698 -1.616 6.872 1.00 22.32 H new ATOM 0 HB THR A 99 -14.962 -0.724 7.044 1.00 40.30 H new ATOM 0 HG1 THR A 99 -14.550 -3.014 8.746 1.00 1.30 H new ATOM 0 HG21 THR A 99 -16.926 -2.210 7.141 1.00 71.31 H new ATOM 0 HG22 THR A 99 -16.110 -2.300 5.562 1.00 71.31 H new ATOM 0 HG23 THR A 99 -15.887 -3.602 6.754 1.00 71.31 H new ATOM 1526 N VAL A 100 -12.228 -4.241 6.150 1.00 23.52 N ATOM 1527 CA VAL A 100 -11.865 -5.639 6.348 1.00 32.24 C ATOM 1528 C VAL A 100 -11.720 -5.965 7.830 1.00 74.22 C ATOM 1529 O VAL A 100 -11.259 -5.137 8.615 1.00 14.32 O ATOM 1530 CB VAL A 100 -10.548 -5.985 5.627 1.00 53.54 C ATOM 1531 CG1 VAL A 100 -10.170 -7.437 5.874 1.00 64.22 C ATOM 1532 CG2 VAL A 100 -10.667 -5.701 4.137 1.00 72.31 C ATOM 0 H VAL A 100 -11.633 -3.740 5.490 1.00 23.52 H new ATOM 0 HA VAL A 100 -12.671 -6.238 5.924 1.00 32.24 H new ATOM 0 HB VAL A 100 -9.755 -5.355 6.031 1.00 53.54 H new ATOM 0 HG11 VAL A 100 -9.237 -7.663 5.357 1.00 64.22 H new ATOM 0 HG12 VAL A 100 -10.041 -7.603 6.944 1.00 64.22 H new ATOM 0 HG13 VAL A 100 -10.960 -8.088 5.499 1.00 64.22 H new ATOM 0 HG21 VAL A 100 -9.728 -5.951 3.643 1.00 72.31 H new ATOM 0 HG22 VAL A 100 -11.471 -6.304 3.715 1.00 72.31 H new ATOM 0 HG23 VAL A 100 -10.887 -4.644 3.984 1.00 72.31 H new ATOM 1542 N SER A 101 -12.117 -7.176 8.206 1.00 31.35 N ATOM 1543 CA SER A 101 -12.034 -7.611 9.595 1.00 34.40 C ATOM 1544 C SER A 101 -10.794 -8.468 9.823 1.00 12.23 C ATOM 1545 O SER A 101 -10.238 -8.499 10.923 1.00 60.52 O ATOM 1546 CB SER A 101 -13.289 -8.397 9.981 1.00 54.03 C ATOM 1547 OG SER A 101 -14.458 -7.623 9.778 1.00 54.32 O ATOM 0 H SER A 101 -12.500 -7.874 7.568 1.00 31.35 H new ATOM 0 HA SER A 101 -11.961 -6.724 10.224 1.00 34.40 H new ATOM 0 HB2 SER A 101 -13.346 -9.310 9.389 1.00 54.03 H new ATOM 0 HB3 SER A 101 -13.226 -8.699 11.027 1.00 54.03 H new ATOM 0 HG SER A 101 -15.246 -8.148 10.030 1.00 54.32 H new ATOM 1553 N THR A 102 -10.361 -9.165 8.777 1.00 45.35 N ATOM 1554 CA THR A 102 -9.188 -10.023 8.862 1.00 24.14 C ATOM 1555 C THR A 102 -8.410 -10.024 7.550 1.00 63.55 C ATOM 1556 O THR A 102 -8.999 -10.020 6.469 1.00 31.31 O ATOM 1557 CB THR A 102 -9.575 -11.471 9.216 1.00 34.44 C ATOM 1558 OG1 THR A 102 -10.187 -12.105 8.089 1.00 71.33 O ATOM 1559 CG2 THR A 102 -10.528 -11.501 10.401 1.00 53.31 C ATOM 0 H THR A 102 -10.807 -9.151 7.860 1.00 45.35 H new ATOM 0 HA THR A 102 -8.558 -9.618 9.655 1.00 24.14 H new ATOM 0 HB THR A 102 -8.667 -12.011 9.486 1.00 34.44 H new ATOM 0 HG1 THR A 102 -10.428 -13.026 8.323 1.00 71.33 H new ATOM 0 HG21 THR A 102 -10.788 -12.534 10.633 1.00 53.31 H new ATOM 0 HG22 THR A 102 -10.047 -11.045 11.266 1.00 53.31 H new ATOM 0 HG23 THR A 102 -11.433 -10.946 10.154 1.00 53.31 H new ATOM 1567 N ALA A 103 -7.086 -10.030 7.652 1.00 23.42 N ATOM 1568 CA ALA A 103 -6.229 -10.035 6.473 1.00 51.22 C ATOM 1569 C ALA A 103 -6.633 -11.141 5.504 1.00 43.25 C ATOM 1570 O ALA A 103 -6.542 -10.978 4.288 1.00 42.54 O ATOM 1571 CB ALA A 103 -4.772 -10.195 6.880 1.00 0.43 C ATOM 0 H ALA A 103 -6.583 -10.032 8.539 1.00 23.42 H new ATOM 0 HA ALA A 103 -6.350 -9.079 5.963 1.00 51.22 H new ATOM 0 HB1 ALA A 103 -4.144 -10.197 5.989 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -4.482 -9.367 7.527 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -4.645 -11.136 7.416 1.00 0.43 H new ATOM 1577 N ALA A 104 -7.081 -12.266 6.052 1.00 4.03 N ATOM 1578 CA ALA A 104 -7.500 -13.398 5.236 1.00 60.32 C ATOM 1579 C ALA A 104 -8.691 -13.030 4.357 1.00 22.41 C ATOM 1580 O ALA A 104 -8.654 -13.205 3.140 1.00 60.14 O ATOM 1581 CB ALA A 104 -7.842 -14.589 6.119 1.00 31.03 C ATOM 0 H ALA A 104 -7.163 -12.417 7.057 1.00 4.03 H new ATOM 0 HA ALA A 104 -6.670 -13.670 4.584 1.00 60.32 H new ATOM 0 HB1 ALA A 104 -8.153 -15.427 5.495 1.00 31.03 H new ATOM 0 HB2 ALA A 104 -6.965 -14.875 6.700 1.00 31.03 H new ATOM 0 HB3 ALA A 104 -8.653 -14.319 6.796 1.00 31.03 H new ATOM 1587 N ALA A 105 -9.747 -12.522 4.984 1.00 50.03 N ATOM 1588 CA ALA A 105 -10.949 -12.128 4.259 1.00 42.01 C ATOM 1589 C ALA A 105 -10.617 -11.157 3.131 1.00 22.22 C ATOM 1590 O ALA A 105 -11.187 -11.235 2.043 1.00 73.35 O ATOM 1591 CB ALA A 105 -11.960 -11.507 5.211 1.00 62.35 C ATOM 0 H ALA A 105 -9.795 -12.374 5.992 1.00 50.03 H new ATOM 0 HA ALA A 105 -11.385 -13.023 3.816 1.00 42.01 H new ATOM 0 HB1 ALA A 105 -12.852 -11.218 4.656 1.00 62.35 H new ATOM 0 HB2 ALA A 105 -12.230 -12.232 5.979 1.00 62.35 H new ATOM 0 HB3 ALA A 105 -11.523 -10.626 5.681 1.00 62.35 H new ATOM 1597 N ALA A 106 -9.690 -10.243 3.397 1.00 31.11 N ATOM 1598 CA ALA A 106 -9.280 -9.258 2.403 1.00 40.43 C ATOM 1599 C ALA A 106 -8.687 -9.934 1.172 1.00 30.33 C ATOM 1600 O ALA A 106 -9.045 -9.609 0.041 1.00 51.11 O ATOM 1601 CB ALA A 106 -8.280 -8.284 3.007 1.00 4.34 C ATOM 0 H ALA A 106 -9.208 -10.164 4.293 1.00 31.11 H new ATOM 0 HA ALA A 106 -10.165 -8.705 2.089 1.00 40.43 H new ATOM 0 HB1 ALA A 106 -7.982 -7.554 2.254 1.00 4.34 H new ATOM 0 HB2 ALA A 106 -8.738 -7.768 3.851 1.00 4.34 H new ATOM 0 HB3 ALA A 106 -7.401 -8.830 3.350 1.00 4.34 H new ATOM 1607 N GLU A 107 -7.776 -10.875 1.400 1.00 34.43 N ATOM 1608 CA GLU A 107 -7.133 -11.595 0.308 1.00 21.13 C ATOM 1609 C GLU A 107 -8.169 -12.270 -0.585 1.00 34.22 C ATOM 1610 O GLU A 107 -8.073 -12.224 -1.810 1.00 24.33 O ATOM 1611 CB GLU A 107 -6.161 -12.641 0.860 1.00 23.34 C ATOM 1612 CG GLU A 107 -5.612 -13.582 -0.200 1.00 33.02 C ATOM 1613 CD GLU A 107 -6.391 -14.880 -0.287 1.00 62.11 C ATOM 1614 OE1 GLU A 107 -6.852 -15.221 -1.397 1.00 42.21 O ATOM 1615 OE2 GLU A 107 -6.541 -15.555 0.753 1.00 43.31 O ATOM 0 H GLU A 107 -7.467 -11.156 2.331 1.00 34.43 H new ATOM 0 HA GLU A 107 -6.578 -10.873 -0.291 1.00 21.13 H new ATOM 0 HB2 GLU A 107 -5.330 -12.131 1.347 1.00 23.34 H new ATOM 0 HB3 GLU A 107 -6.668 -13.227 1.627 1.00 23.34 H new ATOM 0 HG2 GLU A 107 -5.634 -13.084 -1.169 1.00 33.02 H new ATOM 0 HG3 GLU A 107 -4.568 -13.803 0.021 1.00 33.02 H new ATOM 1622 N ASN A 108 -9.161 -12.896 0.039 1.00 73.23 N ATOM 1623 CA ASN A 108 -10.217 -13.582 -0.698 1.00 31.15 C ATOM 1624 C ASN A 108 -10.938 -12.619 -1.637 1.00 74.23 C ATOM 1625 O ASN A 108 -11.128 -12.912 -2.817 1.00 13.00 O ATOM 1626 CB ASN A 108 -11.218 -14.213 0.271 1.00 74.21 C ATOM 1627 CG ASN A 108 -10.823 -15.619 0.678 1.00 21.15 C ATOM 1628 OD1 ASN A 108 -11.539 -16.582 0.402 1.00 4.14 O ATOM 1629 ND2 ASN A 108 -9.676 -15.744 1.337 1.00 61.13 N ATOM 0 H ASN A 108 -9.256 -12.943 1.053 1.00 73.23 H new ATOM 0 HA ASN A 108 -9.756 -14.369 -1.296 1.00 31.15 H new ATOM 0 HB2 ASN A 108 -11.300 -13.590 1.161 1.00 74.21 H new ATOM 0 HB3 ASN A 108 -12.204 -14.236 -0.193 1.00 74.21 H new ATOM 0 HD21 ASN A 108 -9.357 -16.666 1.636 1.00 61.13 H new ATOM 0 HD22 ASN A 108 -9.114 -14.918 1.544 1.00 61.13 H new ATOM 1636 N MET A 109 -11.337 -11.469 -1.103 1.00 32.40 N ATOM 1637 CA MET A 109 -12.036 -10.462 -1.894 1.00 34.33 C ATOM 1638 C MET A 109 -11.112 -9.862 -2.949 1.00 12.21 C ATOM 1639 O MET A 109 -11.549 -9.519 -4.047 1.00 24.53 O ATOM 1640 CB MET A 109 -12.579 -9.357 -0.986 1.00 40.04 C ATOM 1641 CG MET A 109 -13.835 -9.756 -0.229 1.00 51.41 C ATOM 1642 SD MET A 109 -15.346 -9.290 -1.094 1.00 42.20 S ATOM 1643 CE MET A 109 -16.341 -8.680 0.266 1.00 61.32 C ATOM 0 H MET A 109 -11.189 -11.211 -0.127 1.00 32.40 H new ATOM 0 HA MET A 109 -12.870 -10.948 -2.401 1.00 34.33 H new ATOM 0 HB2 MET A 109 -11.807 -9.074 -0.270 1.00 40.04 H new ATOM 0 HB3 MET A 109 -12.793 -8.475 -1.589 1.00 40.04 H new ATOM 0 HG2 MET A 109 -13.831 -10.834 -0.069 1.00 51.41 H new ATOM 0 HG3 MET A 109 -13.825 -9.288 0.755 1.00 51.41 H new ATOM 0 HE1 MET A 109 -17.341 -9.108 0.206 1.00 61.32 H new ATOM 0 HE2 MET A 109 -15.880 -8.966 1.211 1.00 61.32 H new ATOM 0 HE3 MET A 109 -16.408 -7.594 0.209 1.00 61.32 H new ATOM 1653 N TYR A 110 -9.834 -9.738 -2.607 1.00 44.44 N ATOM 1654 CA TYR A 110 -8.849 -9.175 -3.524 1.00 65.24 C ATOM 1655 C TYR A 110 -8.808 -9.963 -4.830 1.00 60.31 C ATOM 1656 O TYR A 110 -8.824 -9.386 -5.917 1.00 71.43 O ATOM 1657 CB TYR A 110 -7.464 -9.169 -2.876 1.00 2.32 C ATOM 1658 CG TYR A 110 -6.658 -7.926 -3.183 1.00 22.44 C ATOM 1659 CD1 TYR A 110 -6.703 -6.821 -2.344 1.00 52.50 C ATOM 1660 CD2 TYR A 110 -5.852 -7.859 -4.313 1.00 51.21 C ATOM 1661 CE1 TYR A 110 -5.969 -5.683 -2.620 1.00 65.32 C ATOM 1662 CE2 TYR A 110 -5.113 -6.726 -4.597 1.00 30.31 C ATOM 1663 CZ TYR A 110 -5.176 -5.641 -3.748 1.00 22.35 C ATOM 1664 OH TYR A 110 -4.442 -4.511 -4.028 1.00 50.43 O ATOM 0 H TYR A 110 -9.456 -10.019 -1.702 1.00 44.44 H new ATOM 0 HA TYR A 110 -9.143 -8.150 -3.748 1.00 65.24 H new ATOM 0 HB2 TYR A 110 -7.577 -9.261 -1.796 1.00 2.32 H new ATOM 0 HB3 TYR A 110 -6.910 -10.044 -3.215 1.00 2.32 H new ATOM 0 HD1 TYR A 110 -7.323 -6.851 -1.460 1.00 52.50 H new ATOM 0 HD2 TYR A 110 -5.802 -8.707 -4.981 1.00 51.21 H new ATOM 0 HE1 TYR A 110 -6.016 -4.832 -1.957 1.00 65.32 H new ATOM 0 HE2 TYR A 110 -4.490 -6.691 -5.478 1.00 30.31 H new ATOM 0 HH TYR A 110 -4.976 -3.903 -4.581 1.00 50.43 H new ATOM 1674 N SER A 111 -8.757 -11.286 -4.713 1.00 23.43 N ATOM 1675 CA SER A 111 -8.710 -12.155 -5.884 1.00 33.14 C ATOM 1676 C SER A 111 -10.112 -12.402 -6.432 1.00 62.14 C ATOM 1677 O SER A 111 -10.305 -12.513 -7.643 1.00 11.34 O ATOM 1678 CB SER A 111 -8.048 -13.488 -5.529 1.00 25.22 C ATOM 1679 OG SER A 111 -8.421 -14.503 -6.444 1.00 43.24 O ATOM 0 H SER A 111 -8.747 -11.780 -3.820 1.00 23.43 H new ATOM 0 HA SER A 111 -8.119 -11.657 -6.653 1.00 33.14 H new ATOM 0 HB2 SER A 111 -6.964 -13.372 -5.532 1.00 25.22 H new ATOM 0 HB3 SER A 111 -8.334 -13.782 -4.519 1.00 25.22 H new ATOM 0 HG SER A 111 -7.983 -15.344 -6.196 1.00 43.24 H new ATOM 1685 N GLN A 112 -11.087 -12.486 -5.534 1.00 12.52 N ATOM 1686 CA GLN A 112 -12.471 -12.720 -5.927 1.00 42.21 C ATOM 1687 C GLN A 112 -13.005 -11.556 -6.756 1.00 15.00 C ATOM 1688 O GLN A 112 -13.868 -11.737 -7.614 1.00 63.12 O ATOM 1689 CB GLN A 112 -13.348 -12.926 -4.691 1.00 12.00 C ATOM 1690 CG GLN A 112 -13.285 -14.338 -4.130 1.00 13.34 C ATOM 1691 CD GLN A 112 -14.403 -15.222 -4.644 1.00 51.32 C ATOM 1692 OE1 GLN A 112 -15.447 -15.357 -4.005 1.00 43.23 O ATOM 1693 NE2 GLN A 112 -14.191 -15.829 -5.806 1.00 14.10 N ATOM 0 H GLN A 112 -10.944 -12.395 -4.528 1.00 12.52 H new ATOM 0 HA GLN A 112 -12.501 -13.622 -6.538 1.00 42.21 H new ATOM 0 HB2 GLN A 112 -13.042 -12.222 -3.917 1.00 12.00 H new ATOM 0 HB3 GLN A 112 -14.381 -12.691 -4.945 1.00 12.00 H new ATOM 0 HG2 GLN A 112 -12.325 -14.785 -4.389 1.00 13.34 H new ATOM 0 HG3 GLN A 112 -13.333 -14.295 -3.042 1.00 13.34 H new ATOM 0 HE21 GLN A 112 -13.311 -15.689 -6.302 1.00 14.10 H new ATOM 0 HE22 GLN A 112 -14.909 -16.436 -6.203 1.00 14.10 H new ATOM 1702 N MET A 113 -12.487 -10.361 -6.491 1.00 72.22 N ATOM 1703 CA MET A 113 -12.912 -9.168 -7.213 1.00 11.41 C ATOM 1704 C MET A 113 -12.254 -9.100 -8.587 1.00 40.13 C ATOM 1705 O MET A 113 -12.714 -8.379 -9.472 1.00 73.41 O ATOM 1706 CB MET A 113 -12.572 -7.911 -6.409 1.00 21.22 C ATOM 1707 CG MET A 113 -13.600 -7.575 -5.342 1.00 71.00 C ATOM 1708 SD MET A 113 -13.002 -6.349 -4.162 1.00 42.14 S ATOM 1709 CE MET A 113 -13.885 -4.891 -4.715 1.00 10.34 C ATOM 0 H MET A 113 -11.773 -10.193 -5.782 1.00 72.22 H new ATOM 0 HA MET A 113 -13.992 -9.222 -7.350 1.00 11.41 H new ATOM 0 HB2 MET A 113 -11.599 -8.045 -5.935 1.00 21.22 H new ATOM 0 HB3 MET A 113 -12.480 -7.067 -7.092 1.00 21.22 H new ATOM 0 HG2 MET A 113 -14.506 -7.202 -5.820 1.00 71.00 H new ATOM 0 HG3 MET A 113 -13.874 -8.485 -4.807 1.00 71.00 H new ATOM 0 HE1 MET A 113 -13.621 -4.044 -4.082 1.00 10.34 H new ATOM 0 HE2 MET A 113 -13.614 -4.671 -5.748 1.00 10.34 H new ATOM 0 HE3 MET A 113 -14.958 -5.070 -4.652 1.00 10.34 H new