USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot -113:sc= 0.163 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -3.23! K(o=-3.1!,f=-7.1) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -3.26! C(o=-1.9!,f=-12!) USER MOD Set 2.2: A 69 SER OG : rot -118:sc= 1.33 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN : amide:sc= 0.00115 X(o=0.0012,f=0) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -122:sc= 0.265 (180deg=-0.304) USER MOD Set 4.2: A 33 THR OG1 : rot 160:sc= 0.305 USER MOD Set 5.1: A 26 SER OG : rot -70:sc= 1.76 USER MOD Set 5.2: A 29 GLN : amide:sc= 1.92 K(o=3.7,f=-1.5!) USER MOD Set 6.1: A 18 HIS : no HE2:sc= -1.97! C(o=-2.7!,f=-6.1!) USER MOD Set 6.2: A 20 GLN : amide:sc= -0.707 K(o=-2.7,f=-6.9) USER MOD Set 6.3: A 21 SER OG : rot 180:sc= -0.0362 USER MOD Set 7.1: A 17 LYS NZ :NH3+ 178:sc= 0.484 (180deg=0.388) USER MOD Set 7.2: A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 111:sc= -2.88! USER MOD Single : A 12 SER OG : rot -32:sc= 0.853 USER MOD Single : A 19 SER OG : rot 100:sc= -1.59! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc=-0.000777 (180deg=-0.0576) USER MOD Single : A 44 ASN : amide:sc= -1.37 K(o=-1.4,f=-2) USER MOD Single : A 46 TYR OH : rot -125:sc= -0.307 USER MOD Single : A 48 GLN : amide:sc= 0.14 X(o=0.14,f=-0.027) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 52 SER OG : rot 81:sc= 1.25 USER MOD Single : A 62 SER OG : rot 87:sc= -0.708! USER MOD Single : A 65 SER OG : rot 26:sc= 1.66 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -168:sc=-0.00916 (180deg=-0.149) USER MOD Single : A 80 SER OG : rot -48:sc= 1.07 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.239 F(o=-1.7,f=-0.24) USER MOD Single : A 84 MET CE :methyl -168:sc= 0 (180deg=-0.151) USER MOD Single : A 85 GLN : amide:sc= 1.75 K(o=1.7,f=-6.2!) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0249 (180deg=-0.284) USER MOD Single : A 92 SER OG : rot -57:sc= 1.26 USER MOD Single : A 97 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 100 MET CE :methyl 162:sc= -0.974 (180deg=-1.17) USER MOD Single : A 101 SER OG : rot 169:sc= -0.631 USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.0674 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 6.157 18.692 1.817 1.00 53.35 N ATOM 72 CA PRO A 6 4.935 19.508 1.890 1.00 12.42 C ATOM 73 C PRO A 6 4.164 19.247 3.183 1.00 21.00 C ATOM 74 O PRO A 6 4.356 18.211 3.830 1.00 22.24 O ATOM 75 CB PRO A 6 4.113 19.038 0.682 1.00 33.20 C ATOM 76 CG PRO A 6 5.112 18.447 -0.250 1.00 42.31 C ATOM 77 CD PRO A 6 6.176 17.841 0.615 1.00 43.13 C ATOM 0 HA PRO A 6 5.152 20.576 1.880 1.00 12.42 H new ATOM 0 HB2 PRO A 6 3.363 18.304 0.975 1.00 33.20 H new ATOM 0 HB3 PRO A 6 3.582 19.869 0.218 1.00 33.20 H new ATOM 0 HG2 PRO A 6 4.652 17.693 -0.888 1.00 42.31 H new ATOM 0 HG3 PRO A 6 5.531 19.209 -0.908 1.00 42.31 H new ATOM 0 HD2 PRO A 6 5.956 16.801 0.855 1.00 43.13 H new ATOM 0 HD3 PRO A 6 7.150 17.857 0.126 1.00 43.13 H new ATOM 85 N ALA A 7 3.296 20.180 3.556 1.00 33.14 N ATOM 86 CA ALA A 7 2.516 20.053 4.780 1.00 22.34 C ATOM 87 C ALA A 7 1.671 18.790 4.753 1.00 41.23 C ATOM 88 O ALA A 7 1.704 17.991 5.684 1.00 75.24 O ATOM 89 CB ALA A 7 1.638 21.275 4.986 1.00 74.24 C ATOM 0 H ALA A 7 3.115 21.033 3.027 1.00 33.14 H new ATOM 0 HA ALA A 7 3.210 19.983 5.617 1.00 22.34 H new ATOM 0 HB1 ALA A 7 1.064 21.160 5.905 1.00 74.24 H new ATOM 0 HB2 ALA A 7 2.264 22.165 5.058 1.00 74.24 H new ATOM 0 HB3 ALA A 7 0.955 21.379 4.143 1.00 74.24 H new ATOM 95 N ARG A 8 0.921 18.609 3.682 1.00 13.24 N ATOM 96 CA ARG A 8 0.094 17.428 3.529 1.00 54.11 C ATOM 97 C ARG A 8 0.307 16.802 2.163 1.00 22.51 C ATOM 98 O ARG A 8 0.323 17.499 1.149 1.00 23.40 O ATOM 99 CB ARG A 8 -1.391 17.759 3.714 1.00 24.41 C ATOM 100 CG ARG A 8 -1.752 18.292 5.088 1.00 72.12 C ATOM 101 CD ARG A 8 -3.258 18.446 5.239 1.00 72.22 C ATOM 102 NE ARG A 8 -3.621 19.051 6.520 1.00 65.11 N ATOM 103 CZ ARG A 8 -4.688 18.704 7.250 1.00 52.12 C ATOM 104 NH1 ARG A 8 -5.484 17.709 6.854 1.00 74.31 N ATOM 105 NH2 ARG A 8 -4.947 19.341 8.385 1.00 2.31 N ATOM 0 H ARG A 8 0.868 19.267 2.904 1.00 13.24 H new ATOM 0 HA ARG A 8 0.390 16.719 4.302 1.00 54.11 H new ATOM 0 HB2 ARG A 8 -1.682 18.495 2.965 1.00 24.41 H new ATOM 0 HB3 ARG A 8 -1.977 16.860 3.522 1.00 24.41 H new ATOM 0 HG2 ARG A 8 -1.374 17.615 5.854 1.00 72.12 H new ATOM 0 HG3 ARG A 8 -1.267 19.255 5.246 1.00 72.12 H new ATOM 0 HD2 ARG A 8 -3.643 19.061 4.426 1.00 72.22 H new ATOM 0 HD3 ARG A 8 -3.733 17.469 5.152 1.00 72.22 H new ATOM 0 HE ARG A 8 -3.018 19.790 6.883 1.00 65.11 H new ATOM 0 HH11 ARG A 8 -5.281 17.207 5.990 1.00 74.31 H new ATOM 0 HH12 ARG A 8 -6.295 17.450 7.416 1.00 74.31 H new ATOM 0 HH21 ARG A 8 -4.334 20.093 8.699 1.00 2.31 H new ATOM 0 HH22 ARG A 8 -5.759 19.079 8.943 1.00 2.31 H new ATOM 119 N VAL A 9 0.487 15.499 2.138 1.00 42.12 N ATOM 120 CA VAL A 9 0.646 14.774 0.890 1.00 73.43 C ATOM 121 C VAL A 9 -0.468 13.761 0.745 1.00 44.43 C ATOM 122 O VAL A 9 -0.927 13.192 1.735 1.00 32.24 O ATOM 123 CB VAL A 9 2.020 14.056 0.788 1.00 40.32 C ATOM 124 CG1 VAL A 9 3.162 15.058 0.855 1.00 3.14 C ATOM 125 CG2 VAL A 9 2.170 12.995 1.873 1.00 10.11 C ATOM 0 H VAL A 9 0.527 14.914 2.973 1.00 42.12 H new ATOM 0 HA VAL A 9 0.602 15.505 0.083 1.00 73.43 H new ATOM 0 HB VAL A 9 2.061 13.555 -0.179 1.00 40.32 H new ATOM 0 HG11 VAL A 9 4.113 14.531 0.782 1.00 3.14 H new ATOM 0 HG12 VAL A 9 3.074 15.765 0.030 1.00 3.14 H new ATOM 0 HG13 VAL A 9 3.118 15.597 1.801 1.00 3.14 H new ATOM 0 HG21 VAL A 9 3.141 12.510 1.776 1.00 10.11 H new ATOM 0 HG22 VAL A 9 2.095 13.465 2.854 1.00 10.11 H new ATOM 0 HG23 VAL A 9 1.381 12.251 1.766 1.00 10.11 H new ATOM 135 N ARG A 10 -0.926 13.554 -0.467 1.00 4.51 N ATOM 136 CA ARG A 10 -1.982 12.599 -0.697 1.00 41.14 C ATOM 137 C ARG A 10 -1.438 11.375 -1.386 1.00 12.43 C ATOM 138 O ARG A 10 -0.850 11.462 -2.468 1.00 24.14 O ATOM 139 CB ARG A 10 -3.132 13.206 -1.501 1.00 15.22 C ATOM 140 CG ARG A 10 -4.324 12.269 -1.640 1.00 71.53 C ATOM 141 CD ARG A 10 -5.535 12.986 -2.192 1.00 24.13 C ATOM 142 NE ARG A 10 -6.706 12.108 -2.263 1.00 33.03 N ATOM 143 CZ ARG A 10 -7.897 12.486 -2.721 1.00 33.34 C ATOM 144 NH1 ARG A 10 -8.096 13.742 -3.101 1.00 23.55 N ATOM 145 NH2 ARG A 10 -8.889 11.605 -2.792 1.00 54.20 N ATOM 0 H ARG A 10 -0.587 14.030 -1.303 1.00 4.51 H new ATOM 0 HA ARG A 10 -2.384 12.308 0.274 1.00 41.14 H new ATOM 0 HB2 ARG A 10 -3.457 14.128 -1.019 1.00 15.22 H new ATOM 0 HB3 ARG A 10 -2.771 13.475 -2.494 1.00 15.22 H new ATOM 0 HG2 ARG A 10 -4.061 11.440 -2.297 1.00 71.53 H new ATOM 0 HG3 ARG A 10 -4.566 11.841 -0.667 1.00 71.53 H new ATOM 0 HD2 ARG A 10 -5.765 13.847 -1.564 1.00 24.13 H new ATOM 0 HD3 ARG A 10 -5.308 13.369 -3.187 1.00 24.13 H new ATOM 0 HE ARG A 10 -6.602 11.146 -1.941 1.00 33.03 H new ATOM 0 HH11 ARG A 10 -7.335 14.419 -3.042 1.00 23.55 H new ATOM 0 HH12 ARG A 10 -9.009 14.030 -3.452 1.00 23.55 H new ATOM 0 HH21 ARG A 10 -8.737 10.641 -2.496 1.00 54.20 H new ATOM 0 HH22 ARG A 10 -9.803 11.893 -3.143 1.00 54.20 H new ATOM 159 N CYS A 11 -1.612 10.242 -0.753 1.00 31.53 N ATOM 160 CA CYS A 11 -1.134 8.995 -1.287 1.00 44.03 C ATOM 161 C CYS A 11 -2.143 7.893 -1.034 1.00 2.14 C ATOM 162 O CYS A 11 -2.916 7.952 -0.075 1.00 42.24 O ATOM 163 CB CYS A 11 0.209 8.628 -0.646 1.00 3.30 C ATOM 164 SG CYS A 11 1.483 9.900 -0.804 1.00 63.23 S ATOM 0 H CYS A 11 -2.088 10.160 0.145 1.00 31.53 H new ATOM 0 HA CYS A 11 -0.997 9.107 -2.363 1.00 44.03 H new ATOM 0 HB2 CYS A 11 0.048 8.421 0.412 1.00 3.30 H new ATOM 0 HB3 CYS A 11 0.574 7.706 -1.099 1.00 3.30 H new ATOM 0 HG CYS A 11 1.726 10.418 0.363 1.00 63.23 H new ATOM 170 N SER A 12 -2.148 6.915 -1.902 1.00 62.51 N ATOM 171 CA SER A 12 -2.997 5.763 -1.751 1.00 50.21 C ATOM 172 C SER A 12 -2.126 4.545 -1.467 1.00 5.42 C ATOM 173 O SER A 12 -0.995 4.463 -1.953 1.00 20.22 O ATOM 174 CB SER A 12 -3.829 5.555 -3.017 1.00 0.54 C ATOM 175 OG SER A 12 -4.516 6.749 -3.382 1.00 21.35 O ATOM 0 H SER A 12 -1.561 6.895 -2.736 1.00 62.51 H new ATOM 0 HA SER A 12 -3.685 5.913 -0.919 1.00 50.21 H new ATOM 0 HB2 SER A 12 -3.180 5.241 -3.835 1.00 0.54 H new ATOM 0 HB3 SER A 12 -4.549 4.753 -2.855 1.00 0.54 H new ATOM 0 HG SER A 12 -4.743 7.256 -2.574 1.00 21.35 H new ATOM 181 N HIS A 13 -2.624 3.613 -0.671 1.00 23.24 N ATOM 182 CA HIS A 13 -1.834 2.446 -0.317 1.00 32.10 C ATOM 183 C HIS A 13 -2.568 1.144 -0.587 1.00 63.34 C ATOM 184 O HIS A 13 -3.792 1.087 -0.556 1.00 71.12 O ATOM 185 CB HIS A 13 -1.365 2.504 1.162 1.00 21.21 C ATOM 186 CG HIS A 13 -2.462 2.411 2.216 1.00 24.05 C ATOM 187 ND1 HIS A 13 -2.504 3.225 3.328 1.00 14.52 N ATOM 188 CD2 HIS A 13 -3.523 1.574 2.340 1.00 70.24 C ATOM 189 CE1 HIS A 13 -3.537 2.892 4.080 1.00 12.33 C ATOM 190 NE2 HIS A 13 -4.169 1.895 3.502 1.00 53.53 N ATOM 0 H HIS A 13 -3.558 3.640 -0.263 1.00 23.24 H new ATOM 0 HA HIS A 13 -0.955 2.466 -0.961 1.00 32.10 H new ATOM 0 HB2 HIS A 13 -0.658 1.692 1.330 1.00 21.21 H new ATOM 0 HB3 HIS A 13 -0.821 3.437 1.314 1.00 21.21 H new ATOM 0 HD1 HIS A 13 -1.839 3.970 3.538 1.00 14.52 H new ATOM 0 HD2 HIS A 13 -3.806 0.796 1.647 1.00 70.24 H new ATOM 0 HE1 HIS A 13 -3.816 3.360 5.013 1.00 12.33 H new ATOM 199 N LEU A 14 -1.800 0.113 -0.850 1.00 0.44 N ATOM 200 CA LEU A 14 -2.317 -1.228 -1.029 1.00 51.14 C ATOM 201 C LEU A 14 -1.596 -2.128 -0.034 1.00 13.11 C ATOM 202 O LEU A 14 -0.386 -1.996 0.144 1.00 24.04 O ATOM 203 CB LEU A 14 -2.084 -1.697 -2.484 1.00 22.51 C ATOM 204 CG LEU A 14 -2.779 -3.004 -2.918 1.00 63.13 C ATOM 205 CD1 LEU A 14 -2.901 -3.054 -4.431 1.00 25.25 C ATOM 206 CD2 LEU A 14 -2.013 -4.224 -2.426 1.00 2.34 C ATOM 0 H LEU A 14 -0.787 0.180 -0.947 1.00 0.44 H new ATOM 0 HA LEU A 14 -3.392 -1.263 -0.849 1.00 51.14 H new ATOM 0 HB2 LEU A 14 -2.411 -0.901 -3.153 1.00 22.51 H new ATOM 0 HB3 LEU A 14 -1.011 -1.818 -2.633 1.00 22.51 H new ATOM 0 HG LEU A 14 -3.773 -3.019 -2.472 1.00 63.13 H new ATOM 0 HD11 LEU A 14 -3.393 -3.981 -4.726 1.00 25.25 H new ATOM 0 HD12 LEU A 14 -3.490 -2.205 -4.777 1.00 25.25 H new ATOM 0 HD13 LEU A 14 -1.908 -3.013 -4.878 1.00 25.25 H new ATOM 0 HD21 LEU A 14 -2.527 -5.130 -2.747 1.00 2.34 H new ATOM 0 HD22 LEU A 14 -1.005 -4.212 -2.840 1.00 2.34 H new ATOM 0 HD23 LEU A 14 -1.958 -4.205 -1.338 1.00 2.34 H new ATOM 218 N LEU A 15 -2.322 -3.006 0.635 1.00 15.43 N ATOM 219 CA LEU A 15 -1.713 -3.857 1.649 1.00 74.43 C ATOM 220 C LEU A 15 -2.041 -5.332 1.447 1.00 2.10 C ATOM 221 O LEU A 15 -3.208 -5.717 1.331 1.00 32.53 O ATOM 222 CB LEU A 15 -2.141 -3.398 3.056 1.00 72.35 C ATOM 223 CG LEU A 15 -1.800 -4.345 4.221 1.00 12.34 C ATOM 224 CD1 LEU A 15 -0.311 -4.645 4.267 1.00 32.24 C ATOM 225 CD2 LEU A 15 -2.257 -3.747 5.541 1.00 3.32 C ATOM 0 H LEU A 15 -3.323 -3.150 0.499 1.00 15.43 H new ATOM 0 HA LEU A 15 -0.632 -3.755 1.548 1.00 74.43 H new ATOM 0 HB2 LEU A 15 -1.678 -2.432 3.255 1.00 72.35 H new ATOM 0 HB3 LEU A 15 -3.219 -3.239 3.050 1.00 72.35 H new ATOM 0 HG LEU A 15 -2.329 -5.283 4.056 1.00 12.34 H new ATOM 0 HD11 LEU A 15 -0.101 -5.316 5.100 1.00 32.24 H new ATOM 0 HD12 LEU A 15 -0.006 -5.118 3.334 1.00 32.24 H new ATOM 0 HD13 LEU A 15 0.243 -3.716 4.401 1.00 32.24 H new ATOM 0 HD21 LEU A 15 -2.009 -4.429 6.355 1.00 3.32 H new ATOM 0 HD22 LEU A 15 -1.755 -2.793 5.701 1.00 3.32 H new ATOM 0 HD23 LEU A 15 -3.335 -3.590 5.515 1.00 3.32 H new ATOM 237 N VAL A 16 -1.003 -6.142 1.403 1.00 34.44 N ATOM 238 CA VAL A 16 -1.149 -7.576 1.301 1.00 13.12 C ATOM 239 C VAL A 16 -0.636 -8.233 2.579 1.00 35.23 C ATOM 240 O VAL A 16 0.504 -7.992 3.009 1.00 11.11 O ATOM 241 CB VAL A 16 -0.397 -8.147 0.067 1.00 21.12 C ATOM 242 CG1 VAL A 16 -0.400 -9.671 0.082 1.00 51.43 C ATOM 243 CG2 VAL A 16 -1.031 -7.638 -1.217 1.00 1.34 C ATOM 0 H VAL A 16 -0.035 -5.823 1.437 1.00 34.44 H new ATOM 0 HA VAL A 16 -2.208 -7.799 1.170 1.00 13.12 H new ATOM 0 HB VAL A 16 0.637 -7.806 0.114 1.00 21.12 H new ATOM 0 HG11 VAL A 16 0.133 -10.045 -0.792 1.00 51.43 H new ATOM 0 HG12 VAL A 16 0.093 -10.027 0.987 1.00 51.43 H new ATOM 0 HG13 VAL A 16 -1.428 -10.033 0.063 1.00 51.43 H new ATOM 0 HG21 VAL A 16 -0.495 -8.045 -2.074 1.00 1.34 H new ATOM 0 HG22 VAL A 16 -2.074 -7.953 -1.258 1.00 1.34 H new ATOM 0 HG23 VAL A 16 -0.980 -6.549 -1.241 1.00 1.34 H new ATOM 253 N LYS A 17 -1.480 -9.036 3.191 1.00 4.34 N ATOM 254 CA LYS A 17 -1.131 -9.724 4.416 1.00 1.52 C ATOM 255 C LYS A 17 -0.439 -11.028 4.105 1.00 34.23 C ATOM 256 O LYS A 17 -0.637 -11.605 3.042 1.00 23.40 O ATOM 257 CB LYS A 17 -2.370 -9.981 5.275 1.00 30.41 C ATOM 258 CG LYS A 17 -2.719 -8.847 6.227 1.00 54.02 C ATOM 259 CD LYS A 17 -1.671 -8.709 7.326 1.00 11.33 C ATOM 260 CE LYS A 17 -2.094 -7.704 8.393 1.00 64.41 C ATOM 261 NZ LYS A 17 -2.184 -6.322 7.859 1.00 64.54 N ATOM 0 H LYS A 17 -2.423 -9.230 2.855 1.00 4.34 H new ATOM 0 HA LYS A 17 -0.451 -9.085 4.979 1.00 1.52 H new ATOM 0 HB2 LYS A 17 -3.221 -10.164 4.619 1.00 30.41 H new ATOM 0 HB3 LYS A 17 -2.213 -10.891 5.854 1.00 30.41 H new ATOM 0 HG2 LYS A 17 -2.793 -7.912 5.672 1.00 54.02 H new ATOM 0 HG3 LYS A 17 -3.696 -9.031 6.673 1.00 54.02 H new ATOM 0 HD2 LYS A 17 -1.501 -9.681 7.790 1.00 11.33 H new ATOM 0 HD3 LYS A 17 -0.724 -8.395 6.887 1.00 11.33 H new ATOM 0 HE2 LYS A 17 -3.061 -7.997 8.802 1.00 64.41 H new ATOM 0 HE3 LYS A 17 -1.379 -7.728 9.216 1.00 64.41 H new ATOM 0 HZ1 LYS A 17 -2.507 -5.680 8.611 1.00 64.54 H new ATOM 0 HZ2 LYS A 17 -1.248 -6.018 7.523 1.00 64.54 H new ATOM 0 HZ3 LYS A 17 -2.860 -6.298 7.069 1.00 64.54 H new ATOM 275 N HIS A 18 0.374 -11.489 5.031 1.00 32.22 N ATOM 276 CA HIS A 18 1.092 -12.733 4.852 1.00 41.33 C ATOM 277 C HIS A 18 1.292 -13.437 6.185 1.00 34.43 C ATOM 278 O HIS A 18 1.065 -12.846 7.238 1.00 64.14 O ATOM 279 CB HIS A 18 2.425 -12.521 4.089 1.00 51.24 C ATOM 280 CG HIS A 18 3.388 -11.517 4.680 1.00 22.11 C ATOM 281 ND1 HIS A 18 4.750 -11.719 4.702 1.00 33.20 N ATOM 282 CD2 HIS A 18 3.190 -10.287 5.213 1.00 2.54 C ATOM 283 CE1 HIS A 18 5.344 -10.662 5.225 1.00 23.04 C ATOM 284 NE2 HIS A 18 4.423 -9.783 5.543 1.00 3.40 N ATOM 0 H HIS A 18 0.555 -11.019 5.918 1.00 32.22 H new ATOM 0 HA HIS A 18 0.484 -13.388 4.228 1.00 41.33 H new ATOM 0 HB2 HIS A 18 2.935 -13.482 4.019 1.00 51.24 H new ATOM 0 HB3 HIS A 18 2.190 -12.210 3.071 1.00 51.24 H new ATOM 0 HD1 HIS A 18 5.226 -12.556 4.366 1.00 33.20 H new ATOM 0 HD2 HIS A 18 2.239 -9.795 5.352 1.00 2.54 H new ATOM 0 HE1 HIS A 18 6.408 -10.541 5.367 1.00 23.04 H new ATOM 293 N SER A 19 1.721 -14.692 6.135 1.00 50.10 N ATOM 294 CA SER A 19 1.869 -15.517 7.336 1.00 72.02 C ATOM 295 C SER A 19 2.919 -14.958 8.294 1.00 12.42 C ATOM 296 O SER A 19 2.913 -15.269 9.485 1.00 60.34 O ATOM 297 CB SER A 19 2.226 -16.946 6.939 1.00 14.31 C ATOM 298 OG SER A 19 3.409 -16.971 6.160 1.00 33.13 O ATOM 0 H SER A 19 1.976 -15.168 5.269 1.00 50.10 H new ATOM 0 HA SER A 19 0.915 -15.508 7.863 1.00 72.02 H new ATOM 0 HB2 SER A 19 2.361 -17.554 7.834 1.00 14.31 H new ATOM 0 HB3 SER A 19 1.404 -17.388 6.375 1.00 14.31 H new ATOM 0 HG SER A 19 4.169 -17.221 6.727 1.00 33.13 H new ATOM 304 N GLN A 20 3.809 -14.126 7.769 1.00 12.22 N ATOM 305 CA GLN A 20 4.868 -13.523 8.569 1.00 52.41 C ATOM 306 C GLN A 20 4.338 -12.355 9.410 1.00 65.22 C ATOM 307 O GLN A 20 5.069 -11.766 10.198 1.00 40.53 O ATOM 308 CB GLN A 20 6.014 -13.070 7.670 1.00 20.22 C ATOM 309 CG GLN A 20 6.727 -14.220 6.972 1.00 44.11 C ATOM 310 CD GLN A 20 7.804 -13.752 6.013 1.00 53.15 C ATOM 311 OE1 GLN A 20 7.701 -12.680 5.414 1.00 1.13 O ATOM 312 NE2 GLN A 20 8.842 -14.547 5.863 1.00 15.30 N ATOM 0 H GLN A 20 3.818 -13.852 6.787 1.00 12.22 H new ATOM 0 HA GLN A 20 5.244 -14.278 9.260 1.00 52.41 H new ATOM 0 HB2 GLN A 20 5.626 -12.383 6.918 1.00 20.22 H new ATOM 0 HB3 GLN A 20 6.736 -12.514 8.267 1.00 20.22 H new ATOM 0 HG2 GLN A 20 7.174 -14.872 7.722 1.00 44.11 H new ATOM 0 HG3 GLN A 20 5.996 -14.816 6.426 1.00 44.11 H new ATOM 0 HE21 GLN A 20 8.889 -15.426 6.377 1.00 15.30 H new ATOM 0 HE22 GLN A 20 9.599 -14.284 5.232 1.00 15.30 H new ATOM 321 N SER A 21 3.068 -12.031 9.231 1.00 53.15 N ATOM 322 CA SER A 21 2.432 -10.983 10.004 1.00 1.11 C ATOM 323 C SER A 21 1.794 -11.591 11.250 1.00 3.11 C ATOM 324 O SER A 21 1.686 -12.817 11.359 1.00 51.42 O ATOM 325 CB SER A 21 1.367 -10.283 9.155 1.00 62.01 C ATOM 326 OG SER A 21 1.919 -9.809 7.937 1.00 64.43 O ATOM 0 H SER A 21 2.456 -12.483 8.552 1.00 53.15 H new ATOM 0 HA SER A 21 3.179 -10.248 10.304 1.00 1.11 H new ATOM 0 HB2 SER A 21 0.552 -10.975 8.944 1.00 62.01 H new ATOM 0 HB3 SER A 21 0.941 -9.450 9.714 1.00 62.01 H new ATOM 0 HG SER A 21 1.220 -9.367 7.411 1.00 64.43 H new ATOM 332 N ARG A 22 1.381 -10.752 12.191 1.00 72.55 N ATOM 333 CA ARG A 22 0.739 -11.248 13.400 1.00 52.35 C ATOM 334 C ARG A 22 -0.682 -11.681 13.107 1.00 71.30 C ATOM 335 O ARG A 22 -1.164 -12.674 13.655 1.00 63.21 O ATOM 336 CB ARG A 22 0.748 -10.202 14.512 1.00 42.32 C ATOM 337 CG ARG A 22 2.125 -9.916 15.082 1.00 41.03 C ATOM 338 CD ARG A 22 2.038 -9.024 16.309 1.00 44.20 C ATOM 339 NE ARG A 22 1.255 -9.642 17.388 1.00 53.22 N ATOM 340 CZ ARG A 22 1.121 -9.128 18.619 1.00 33.22 C ATOM 341 NH1 ARG A 22 1.704 -7.978 18.926 1.00 71.43 N ATOM 342 NH2 ARG A 22 0.398 -9.765 19.532 1.00 74.44 N ATOM 0 H ARG A 22 1.477 -9.738 12.142 1.00 72.55 H new ATOM 0 HA ARG A 22 1.311 -12.109 13.744 1.00 52.35 H new ATOM 0 HB2 ARG A 22 0.326 -9.274 14.127 1.00 42.32 H new ATOM 0 HB3 ARG A 22 0.096 -10.538 15.318 1.00 42.32 H new ATOM 0 HG2 ARG A 22 2.614 -10.854 15.345 1.00 41.03 H new ATOM 0 HG3 ARG A 22 2.743 -9.436 14.323 1.00 41.03 H new ATOM 0 HD2 ARG A 22 3.043 -8.806 16.670 1.00 44.20 H new ATOM 0 HD3 ARG A 22 1.585 -8.072 16.033 1.00 44.20 H new ATOM 0 HE ARG A 22 0.781 -10.522 17.187 1.00 53.22 H new ATOM 0 HH11 ARG A 22 2.256 -7.483 18.225 1.00 71.43 H new ATOM 0 HH12 ARG A 22 1.601 -7.588 19.863 1.00 71.43 H new ATOM 0 HH21 ARG A 22 -0.057 -10.647 19.298 1.00 74.44 H new ATOM 0 HH22 ARG A 22 0.297 -9.372 20.468 1.00 74.44 H new ATOM 356 N ARG A 23 -1.351 -10.946 12.238 1.00 5.11 N ATOM 357 CA ARG A 23 -2.717 -11.266 11.868 1.00 14.11 C ATOM 358 C ARG A 23 -2.822 -11.598 10.383 1.00 53.43 C ATOM 359 O ARG A 23 -3.079 -10.716 9.560 1.00 10.31 O ATOM 360 CB ARG A 23 -3.661 -10.110 12.204 1.00 63.11 C ATOM 361 CG ARG A 23 -3.737 -9.771 13.681 1.00 20.14 C ATOM 362 CD ARG A 23 -4.740 -8.656 13.937 1.00 2.21 C ATOM 363 NE ARG A 23 -6.095 -9.038 13.526 1.00 43.40 N ATOM 364 CZ ARG A 23 -7.057 -8.177 13.179 1.00 33.15 C ATOM 365 NH1 ARG A 23 -6.813 -6.869 13.153 1.00 2.24 N ATOM 366 NH2 ARG A 23 -8.257 -8.629 12.837 1.00 41.52 N ATOM 0 H ARG A 23 -0.969 -10.121 11.774 1.00 5.11 H new ATOM 0 HA ARG A 23 -3.012 -12.143 12.445 1.00 14.11 H new ATOM 0 HB2 ARG A 23 -3.340 -9.224 11.657 1.00 63.11 H new ATOM 0 HB3 ARG A 23 -4.661 -10.359 11.849 1.00 63.11 H new ATOM 0 HG2 ARG A 23 -4.023 -10.658 14.246 1.00 20.14 H new ATOM 0 HG3 ARG A 23 -2.753 -9.468 14.039 1.00 20.14 H new ATOM 0 HD2 ARG A 23 -4.739 -8.403 14.997 1.00 2.21 H new ATOM 0 HD3 ARG A 23 -4.435 -7.761 13.395 1.00 2.21 H new ATOM 0 HE ARG A 23 -6.320 -10.033 13.503 1.00 43.40 H new ATOM 0 HH11 ARG A 23 -5.887 -6.518 13.399 1.00 2.24 H new ATOM 0 HH12 ARG A 23 -7.552 -6.218 12.887 1.00 2.24 H new ATOM 0 HH21 ARG A 23 -8.444 -9.632 12.839 1.00 41.52 H new ATOM 0 HH22 ARG A 23 -8.992 -7.974 12.572 1.00 41.52 H new ATOM 380 N PRO A 24 -2.602 -12.867 10.009 1.00 74.12 N ATOM 381 CA PRO A 24 -2.742 -13.310 8.640 1.00 33.44 C ATOM 382 C PRO A 24 -4.207 -13.553 8.314 1.00 30.41 C ATOM 383 O PRO A 24 -4.680 -14.693 8.307 1.00 24.20 O ATOM 384 CB PRO A 24 -1.945 -14.632 8.589 1.00 14.31 C ATOM 385 CG PRO A 24 -1.377 -14.819 9.967 1.00 53.13 C ATOM 386 CD PRO A 24 -2.199 -13.963 10.884 1.00 24.30 C ATOM 0 HA PRO A 24 -2.380 -12.578 7.918 1.00 33.44 H new ATOM 0 HB2 PRO A 24 -2.590 -15.467 8.315 1.00 14.31 H new ATOM 0 HB3 PRO A 24 -1.152 -14.583 7.842 1.00 14.31 H new ATOM 0 HG2 PRO A 24 -1.424 -15.866 10.267 1.00 53.13 H new ATOM 0 HG3 PRO A 24 -0.328 -14.525 9.998 1.00 53.13 H new ATOM 0 HD2 PRO A 24 -3.058 -14.502 11.282 1.00 24.30 H new ATOM 0 HD3 PRO A 24 -1.621 -13.610 11.738 1.00 24.30 H new ATOM 394 N SER A 25 -4.931 -12.477 8.101 1.00 71.53 N ATOM 395 CA SER A 25 -6.347 -12.549 7.827 1.00 31.03 C ATOM 396 C SER A 25 -6.734 -11.501 6.793 1.00 13.12 C ATOM 397 O SER A 25 -6.072 -10.464 6.672 1.00 43.34 O ATOM 398 CB SER A 25 -7.127 -12.326 9.123 1.00 61.13 C ATOM 399 OG SER A 25 -6.690 -13.222 10.143 1.00 65.45 O ATOM 0 H SER A 25 -4.555 -11.529 8.113 1.00 71.53 H new ATOM 0 HA SER A 25 -6.588 -13.534 7.428 1.00 31.03 H new ATOM 0 HB2 SER A 25 -6.997 -11.297 9.458 1.00 61.13 H new ATOM 0 HB3 SER A 25 -8.192 -12.469 8.940 1.00 61.13 H new ATOM 0 HG SER A 25 -7.202 -13.059 10.963 1.00 65.45 H new ATOM 405 N SER A 26 -7.792 -11.769 6.054 1.00 54.41 N ATOM 406 CA SER A 26 -8.255 -10.859 5.030 1.00 1.15 C ATOM 407 C SER A 26 -9.771 -10.894 4.949 1.00 54.01 C ATOM 408 O SER A 26 -10.426 -11.679 5.647 1.00 13.32 O ATOM 409 CB SER A 26 -7.672 -11.260 3.681 1.00 44.42 C ATOM 410 OG SER A 26 -8.221 -12.500 3.241 1.00 33.42 O ATOM 0 H SER A 26 -8.350 -12.618 6.146 1.00 54.41 H new ATOM 0 HA SER A 26 -7.930 -9.850 5.284 1.00 1.15 H new ATOM 0 HB2 SER A 26 -7.880 -10.484 2.945 1.00 44.42 H new ATOM 0 HB3 SER A 26 -6.588 -11.344 3.759 1.00 44.42 H new ATOM 0 HG SER A 26 -7.882 -13.226 3.805 1.00 33.42 H new ATOM 415 N TRP A 27 -10.331 -10.049 4.109 1.00 31.05 N ATOM 416 CA TRP A 27 -11.764 -10.039 3.901 1.00 11.32 C ATOM 417 C TRP A 27 -12.086 -10.641 2.538 1.00 33.24 C ATOM 418 O TRP A 27 -13.244 -10.725 2.131 1.00 74.33 O ATOM 419 CB TRP A 27 -12.316 -8.609 4.006 1.00 31.45 C ATOM 420 CG TRP A 27 -11.928 -7.707 2.870 1.00 20.51 C ATOM 421 CD1 TRP A 27 -10.705 -7.145 2.638 1.00 12.43 C ATOM 422 CD2 TRP A 27 -12.785 -7.249 1.817 1.00 13.42 C ATOM 423 NE1 TRP A 27 -10.748 -6.378 1.501 1.00 52.23 N ATOM 424 CE2 TRP A 27 -12.017 -6.424 0.981 1.00 71.11 C ATOM 425 CE3 TRP A 27 -14.131 -7.463 1.501 1.00 11.41 C ATOM 426 CZ2 TRP A 27 -12.547 -5.811 -0.153 1.00 63.22 C ATOM 427 CZ3 TRP A 27 -14.655 -6.854 0.377 1.00 60.53 C ATOM 428 CH2 TRP A 27 -13.864 -6.039 -0.437 1.00 71.52 C ATOM 0 H TRP A 27 -9.816 -9.361 3.560 1.00 31.05 H new ATOM 0 HA TRP A 27 -12.240 -10.640 4.676 1.00 11.32 H new ATOM 0 HB2 TRP A 27 -13.404 -8.656 4.061 1.00 31.45 H new ATOM 0 HB3 TRP A 27 -11.969 -8.167 4.940 1.00 31.45 H new ATOM 0 HD1 TRP A 27 -9.832 -7.284 3.258 1.00 12.43 H new ATOM 0 HE1 TRP A 27 -9.964 -5.858 1.106 1.00 52.23 H new ATOM 0 HE3 TRP A 27 -14.749 -8.093 2.124 1.00 11.41 H new ATOM 0 HZ2 TRP A 27 -11.939 -5.179 -0.784 1.00 63.22 H new ATOM 0 HZ3 TRP A 27 -15.693 -7.010 0.123 1.00 60.53 H new ATOM 0 HH2 TRP A 27 -14.303 -5.579 -1.310 1.00 71.52 H new ATOM 439 N ARG A 28 -11.043 -11.069 1.845 1.00 52.44 N ATOM 440 CA ARG A 28 -11.180 -11.640 0.517 1.00 70.12 C ATOM 441 C ARG A 28 -10.910 -13.138 0.538 1.00 62.02 C ATOM 442 O ARG A 28 -11.384 -13.878 -0.328 1.00 72.12 O ATOM 443 CB ARG A 28 -10.225 -10.942 -0.453 1.00 41.43 C ATOM 444 CG ARG A 28 -10.556 -9.476 -0.698 1.00 43.43 C ATOM 445 CD ARG A 28 -11.845 -9.321 -1.496 1.00 60.43 C ATOM 446 NE ARG A 28 -11.702 -9.826 -2.863 1.00 23.05 N ATOM 447 CZ ARG A 28 -12.705 -9.972 -3.731 1.00 52.33 C ATOM 448 NH1 ARG A 28 -13.954 -9.690 -3.370 1.00 4.34 N ATOM 449 NH2 ARG A 28 -12.458 -10.411 -4.961 1.00 73.32 N ATOM 0 H ARG A 28 -10.082 -11.030 2.186 1.00 52.44 H new ATOM 0 HA ARG A 28 -12.205 -11.486 0.180 1.00 70.12 H new ATOM 0 HB2 ARG A 28 -9.210 -11.015 -0.063 1.00 41.43 H new ATOM 0 HB3 ARG A 28 -10.239 -11.472 -1.406 1.00 41.43 H new ATOM 0 HG2 ARG A 28 -10.653 -8.959 0.257 1.00 43.43 H new ATOM 0 HG3 ARG A 28 -9.735 -9.001 -1.235 1.00 43.43 H new ATOM 0 HD2 ARG A 28 -12.650 -9.856 -0.993 1.00 60.43 H new ATOM 0 HD3 ARG A 28 -12.130 -8.269 -1.525 1.00 60.43 H new ATOM 0 HE ARG A 28 -10.766 -10.085 -3.175 1.00 23.05 H new ATOM 0 HH11 ARG A 28 -14.150 -9.360 -2.425 1.00 4.34 H new ATOM 0 HH12 ARG A 28 -14.716 -9.804 -4.038 1.00 4.34 H new ATOM 0 HH21 ARG A 28 -11.503 -10.636 -5.240 1.00 73.32 H new ATOM 0 HH22 ARG A 28 -13.223 -10.523 -5.626 1.00 73.32 H new ATOM 463 N GLN A 29 -10.143 -13.580 1.520 1.00 2.31 N ATOM 464 CA GLN A 29 -9.817 -14.985 1.666 1.00 75.54 C ATOM 465 C GLN A 29 -10.070 -15.427 3.098 1.00 14.03 C ATOM 466 O GLN A 29 -10.360 -14.602 3.969 1.00 51.32 O ATOM 467 CB GLN A 29 -8.353 -15.248 1.276 1.00 31.25 C ATOM 468 CG GLN A 29 -8.014 -14.824 -0.148 1.00 50.41 C ATOM 469 CD GLN A 29 -7.046 -13.649 -0.219 1.00 4.44 C ATOM 470 OE1 GLN A 29 -6.303 -13.510 -1.186 1.00 52.11 O ATOM 471 NE2 GLN A 29 -7.033 -12.816 0.801 1.00 31.54 N ATOM 0 H GLN A 29 -9.732 -12.978 2.233 1.00 2.31 H new ATOM 0 HA GLN A 29 -10.455 -15.562 0.997 1.00 75.54 H new ATOM 0 HB2 GLN A 29 -7.700 -14.717 1.969 1.00 31.25 H new ATOM 0 HB3 GLN A 29 -8.141 -16.311 1.390 1.00 31.25 H new ATOM 0 HG2 GLN A 29 -7.582 -15.673 -0.678 1.00 50.41 H new ATOM 0 HG3 GLN A 29 -8.934 -14.558 -0.668 1.00 50.41 H new ATOM 0 HE21 GLN A 29 -7.665 -12.963 1.588 1.00 31.54 H new ATOM 0 HE22 GLN A 29 -6.391 -12.024 0.804 1.00 31.54 H new ATOM 480 N GLU A 30 -9.976 -16.715 3.341 1.00 53.31 N ATOM 481 CA GLU A 30 -10.191 -17.247 4.672 1.00 1.31 C ATOM 482 C GLU A 30 -8.865 -17.515 5.359 1.00 24.43 C ATOM 483 O GLU A 30 -8.683 -17.185 6.534 1.00 72.42 O ATOM 484 CB GLU A 30 -11.012 -18.529 4.615 1.00 71.35 C ATOM 485 CG GLU A 30 -12.373 -18.364 3.968 1.00 23.55 C ATOM 486 CD GLU A 30 -13.216 -19.605 4.096 1.00 42.24 C ATOM 487 OE1 GLU A 30 -13.930 -19.733 5.111 1.00 15.13 O ATOM 488 OE2 GLU A 30 -13.162 -20.469 3.192 1.00 64.21 O ATOM 0 H GLU A 30 -9.752 -17.416 2.635 1.00 53.31 H new ATOM 0 HA GLU A 30 -10.743 -16.503 5.246 1.00 1.31 H new ATOM 0 HB2 GLU A 30 -10.450 -19.284 4.066 1.00 71.35 H new ATOM 0 HB3 GLU A 30 -11.147 -18.907 5.628 1.00 71.35 H new ATOM 0 HG2 GLU A 30 -12.893 -17.524 4.428 1.00 23.55 H new ATOM 0 HG3 GLU A 30 -12.245 -18.120 2.913 1.00 23.55 H new ATOM 495 N LYS A 31 -7.939 -18.096 4.624 1.00 74.43 N ATOM 496 CA LYS A 31 -6.640 -18.432 5.165 1.00 65.35 C ATOM 497 C LYS A 31 -5.526 -17.774 4.368 1.00 14.14 C ATOM 498 O LYS A 31 -5.534 -17.791 3.137 1.00 23.14 O ATOM 499 CB LYS A 31 -6.451 -19.954 5.197 1.00 54.40 C ATOM 500 CG LYS A 31 -6.833 -20.654 3.896 1.00 73.23 C ATOM 501 CD LYS A 31 -6.583 -22.153 3.971 1.00 31.05 C ATOM 502 CE LYS A 31 -5.099 -22.478 3.928 1.00 22.30 C ATOM 503 NZ LYS A 31 -4.497 -22.151 2.609 1.00 74.21 N ATOM 0 H LYS A 31 -8.065 -18.346 3.643 1.00 74.43 H new ATOM 0 HA LYS A 31 -6.592 -18.052 6.185 1.00 65.35 H new ATOM 0 HB2 LYS A 31 -5.408 -20.176 5.424 1.00 54.40 H new ATOM 0 HB3 LYS A 31 -7.049 -20.367 6.009 1.00 54.40 H new ATOM 0 HG2 LYS A 31 -7.885 -20.471 3.679 1.00 73.23 H new ATOM 0 HG3 LYS A 31 -6.259 -20.230 3.072 1.00 73.23 H new ATOM 0 HD2 LYS A 31 -7.016 -22.549 4.890 1.00 31.05 H new ATOM 0 HD3 LYS A 31 -7.088 -22.648 3.142 1.00 31.05 H new ATOM 0 HE2 LYS A 31 -4.583 -21.922 4.710 1.00 22.30 H new ATOM 0 HE3 LYS A 31 -4.953 -23.537 4.141 1.00 22.30 H new ATOM 0 HZ1 LYS A 31 -4.070 -23.007 2.201 1.00 74.21 H new ATOM 0 HZ2 LYS A 31 -5.235 -21.793 1.970 1.00 74.21 H new ATOM 0 HZ3 LYS A 31 -3.764 -21.424 2.733 1.00 74.21 H new ATOM 517 N ILE A 32 -4.584 -17.187 5.074 1.00 53.20 N ATOM 518 CA ILE A 32 -3.451 -16.541 4.447 1.00 11.54 C ATOM 519 C ILE A 32 -2.195 -17.377 4.671 1.00 53.05 C ATOM 520 O ILE A 32 -1.561 -17.306 5.728 1.00 73.44 O ATOM 521 CB ILE A 32 -3.236 -15.105 4.995 1.00 72.13 C ATOM 522 CG1 ILE A 32 -4.496 -14.248 4.779 1.00 11.13 C ATOM 523 CG2 ILE A 32 -2.031 -14.451 4.334 1.00 14.54 C ATOM 524 CD1 ILE A 32 -4.890 -14.080 3.324 1.00 41.31 C ATOM 0 H ILE A 32 -4.581 -17.144 6.093 1.00 53.20 H new ATOM 0 HA ILE A 32 -3.656 -16.462 3.379 1.00 11.54 H new ATOM 0 HB ILE A 32 -3.045 -15.176 6.066 1.00 72.13 H new ATOM 0 HG12 ILE A 32 -5.327 -14.701 5.319 1.00 11.13 H new ATOM 0 HG13 ILE A 32 -4.331 -13.263 5.216 1.00 11.13 H new ATOM 0 HG21 ILE A 32 -1.899 -13.445 4.733 1.00 14.54 H new ATOM 0 HG22 ILE A 32 -1.139 -15.043 4.538 1.00 14.54 H new ATOM 0 HG23 ILE A 32 -2.192 -14.396 3.257 1.00 14.54 H new ATOM 0 HD11 ILE A 32 -5.787 -13.464 3.259 1.00 41.31 H new ATOM 0 HD12 ILE A 32 -4.078 -13.597 2.780 1.00 41.31 H new ATOM 0 HD13 ILE A 32 -5.089 -15.058 2.886 1.00 41.31 H new ATOM 536 N THR A 33 -1.858 -18.182 3.689 1.00 43.44 N ATOM 537 CA THR A 33 -0.721 -19.072 3.787 1.00 32.31 C ATOM 538 C THR A 33 0.486 -18.556 3.013 1.00 75.25 C ATOM 539 O THR A 33 1.538 -19.198 2.988 1.00 22.13 O ATOM 540 CB THR A 33 -1.091 -20.477 3.301 1.00 5.12 C ATOM 541 OG1 THR A 33 -2.021 -20.380 2.205 1.00 12.24 O ATOM 542 CG2 THR A 33 -1.712 -21.282 4.427 1.00 1.33 C ATOM 0 H THR A 33 -2.361 -18.239 2.803 1.00 43.44 H new ATOM 0 HA THR A 33 -0.444 -19.115 4.840 1.00 32.31 H new ATOM 0 HB THR A 33 -0.185 -20.983 2.968 1.00 5.12 H new ATOM 0 HG1 THR A 33 -2.013 -21.216 1.694 1.00 12.24 H new ATOM 0 HG21 THR A 33 -1.969 -22.277 4.064 1.00 1.33 H new ATOM 0 HG22 THR A 33 -1.001 -21.368 5.248 1.00 1.33 H new ATOM 0 HG23 THR A 33 -2.614 -20.780 4.779 1.00 1.33 H new ATOM 550 N ARG A 34 0.335 -17.412 2.373 1.00 50.12 N ATOM 551 CA ARG A 34 1.436 -16.808 1.646 1.00 31.43 C ATOM 552 C ARG A 34 2.521 -16.355 2.633 1.00 21.34 C ATOM 553 O ARG A 34 2.246 -15.600 3.569 1.00 33.53 O ATOM 554 CB ARG A 34 0.938 -15.635 0.789 1.00 61.34 C ATOM 555 CG ARG A 34 0.308 -14.510 1.585 1.00 3.41 C ATOM 556 CD ARG A 34 -0.279 -13.444 0.685 1.00 4.34 C ATOM 557 NE ARG A 34 -1.452 -13.920 -0.038 1.00 63.14 N ATOM 558 CZ ARG A 34 -2.645 -13.319 -0.007 1.00 1.40 C ATOM 559 NH1 ARG A 34 -2.833 -12.232 0.740 1.00 34.13 N ATOM 560 NH2 ARG A 34 -3.643 -13.812 -0.717 1.00 12.24 N ATOM 0 H ARG A 34 -0.537 -16.883 2.341 1.00 50.12 H new ATOM 0 HA ARG A 34 1.869 -17.547 0.972 1.00 31.43 H new ATOM 0 HB2 ARG A 34 1.776 -15.236 0.217 1.00 61.34 H new ATOM 0 HB3 ARG A 34 0.210 -16.009 0.069 1.00 61.34 H new ATOM 0 HG2 ARG A 34 -0.474 -14.914 2.228 1.00 3.41 H new ATOM 0 HG3 ARG A 34 1.058 -14.062 2.237 1.00 3.41 H new ATOM 0 HD2 ARG A 34 -0.551 -12.575 1.284 1.00 4.34 H new ATOM 0 HD3 ARG A 34 0.477 -13.116 -0.028 1.00 4.34 H new ATOM 0 HE ARG A 34 -1.356 -14.764 -0.603 1.00 63.14 H new ATOM 0 HH11 ARG A 34 -2.064 -11.854 1.293 1.00 34.13 H new ATOM 0 HH12 ARG A 34 -3.746 -11.778 0.759 1.00 34.13 H new ATOM 0 HH21 ARG A 34 -3.501 -14.647 -1.285 1.00 12.24 H new ATOM 0 HH22 ARG A 34 -4.556 -13.358 -0.697 1.00 12.24 H new ATOM 574 N THR A 35 3.739 -16.831 2.436 1.00 1.14 N ATOM 575 CA THR A 35 4.826 -16.524 3.343 1.00 3.11 C ATOM 576 C THR A 35 5.533 -15.201 2.995 1.00 3.34 C ATOM 577 O THR A 35 4.989 -14.117 3.227 1.00 52.14 O ATOM 578 CB THR A 35 5.842 -17.687 3.415 1.00 13.11 C ATOM 579 OG1 THR A 35 6.237 -18.067 2.090 1.00 4.34 O ATOM 580 CG2 THR A 35 5.236 -18.890 4.120 1.00 2.22 C ATOM 0 H THR A 35 3.998 -17.432 1.654 1.00 1.14 H new ATOM 0 HA THR A 35 4.378 -16.395 4.328 1.00 3.11 H new ATOM 0 HB THR A 35 6.711 -17.349 3.979 1.00 13.11 H new ATOM 0 HG1 THR A 35 6.882 -18.803 2.139 1.00 4.34 H new ATOM 0 HG21 THR A 35 5.969 -19.696 4.159 1.00 2.22 H new ATOM 0 HG22 THR A 35 4.949 -18.611 5.134 1.00 2.22 H new ATOM 0 HG23 THR A 35 4.355 -19.227 3.573 1.00 2.22 H new ATOM 588 N LYS A 36 6.737 -15.286 2.453 1.00 5.13 N ATOM 589 CA LYS A 36 7.504 -14.094 2.117 1.00 55.30 C ATOM 590 C LYS A 36 7.285 -13.683 0.660 1.00 12.44 C ATOM 591 O LYS A 36 6.606 -12.693 0.371 1.00 42.11 O ATOM 592 CB LYS A 36 8.996 -14.321 2.391 1.00 31.21 C ATOM 593 CG LYS A 36 9.844 -13.064 2.271 1.00 54.14 C ATOM 594 CD LYS A 36 11.307 -13.349 2.565 1.00 44.33 C ATOM 595 CE LYS A 36 12.126 -12.066 2.619 1.00 44.41 C ATOM 596 NZ LYS A 36 12.087 -11.318 1.338 1.00 41.52 N ATOM 0 H LYS A 36 7.205 -16.166 2.236 1.00 5.13 H new ATOM 0 HA LYS A 36 7.151 -13.280 2.751 1.00 55.30 H new ATOM 0 HB2 LYS A 36 9.113 -14.731 3.394 1.00 31.21 H new ATOM 0 HB3 LYS A 36 9.373 -15.070 1.694 1.00 31.21 H new ATOM 0 HG2 LYS A 36 9.747 -12.653 1.266 1.00 54.14 H new ATOM 0 HG3 LYS A 36 9.474 -12.307 2.962 1.00 54.14 H new ATOM 0 HD2 LYS A 36 11.392 -13.876 3.515 1.00 44.33 H new ATOM 0 HD3 LYS A 36 11.712 -14.008 1.797 1.00 44.33 H new ATOM 0 HE2 LYS A 36 11.749 -11.430 3.420 1.00 44.41 H new ATOM 0 HE3 LYS A 36 13.160 -12.308 2.864 1.00 44.41 H new ATOM 0 HZ1 LYS A 36 12.738 -10.508 1.389 1.00 41.52 H new ATOM 0 HZ2 LYS A 36 12.375 -11.946 0.561 1.00 41.52 H new ATOM 0 HZ3 LYS A 36 11.120 -10.975 1.166 1.00 41.52 H new ATOM 610 N GLU A 37 7.842 -14.471 -0.249 1.00 2.11 N ATOM 611 CA GLU A 37 7.766 -14.194 -1.677 1.00 42.24 C ATOM 612 C GLU A 37 6.376 -14.478 -2.208 1.00 24.33 C ATOM 613 O GLU A 37 5.952 -13.902 -3.210 1.00 63.03 O ATOM 614 CB GLU A 37 8.792 -15.034 -2.430 1.00 54.13 C ATOM 615 CG GLU A 37 10.222 -14.779 -1.992 1.00 11.12 C ATOM 616 CD GLU A 37 11.223 -15.629 -2.736 1.00 44.15 C ATOM 617 OE1 GLU A 37 11.642 -15.228 -3.841 1.00 43.30 O ATOM 618 OE2 GLU A 37 11.609 -16.694 -2.213 1.00 2.11 O ATOM 0 H GLU A 37 8.359 -15.319 -0.018 1.00 2.11 H new ATOM 0 HA GLU A 37 7.985 -13.138 -1.832 1.00 42.24 H new ATOM 0 HB2 GLU A 37 8.560 -16.090 -2.288 1.00 54.13 H new ATOM 0 HB3 GLU A 37 8.705 -14.829 -3.497 1.00 54.13 H new ATOM 0 HG2 GLU A 37 10.462 -13.727 -2.145 1.00 11.12 H new ATOM 0 HG3 GLU A 37 10.310 -14.974 -0.923 1.00 11.12 H new ATOM 625 N GLU A 38 5.667 -15.350 -1.511 1.00 73.13 N ATOM 626 CA GLU A 38 4.317 -15.740 -1.893 1.00 41.10 C ATOM 627 C GLU A 38 3.369 -14.544 -1.842 1.00 13.50 C ATOM 628 O GLU A 38 2.329 -14.533 -2.485 1.00 5.12 O ATOM 629 CB GLU A 38 3.818 -16.844 -0.968 1.00 23.34 C ATOM 630 CG GLU A 38 4.799 -17.991 -0.798 1.00 4.03 C ATOM 631 CD GLU A 38 5.158 -18.651 -2.105 1.00 51.35 C ATOM 632 OE1 GLU A 38 4.461 -19.608 -2.496 1.00 71.53 O ATOM 633 OE2 GLU A 38 6.135 -18.224 -2.744 1.00 23.21 O ATOM 0 H GLU A 38 6.009 -15.808 -0.666 1.00 73.13 H new ATOM 0 HA GLU A 38 4.341 -16.111 -2.918 1.00 41.10 H new ATOM 0 HB2 GLU A 38 3.602 -16.415 0.010 1.00 23.34 H new ATOM 0 HB3 GLU A 38 2.879 -17.236 -1.359 1.00 23.34 H new ATOM 0 HG2 GLU A 38 5.707 -17.619 -0.323 1.00 4.03 H new ATOM 0 HG3 GLU A 38 4.369 -18.734 -0.127 1.00 4.03 H new ATOM 640 N ALA A 39 3.737 -13.547 -1.057 1.00 72.31 N ATOM 641 CA ALA A 39 2.952 -12.331 -0.955 1.00 32.05 C ATOM 642 C ALA A 39 3.528 -11.267 -1.873 1.00 44.22 C ATOM 643 O ALA A 39 2.808 -10.410 -2.388 1.00 51.13 O ATOM 644 CB ALA A 39 2.929 -11.840 0.481 1.00 33.10 C ATOM 0 H ALA A 39 4.578 -13.557 -0.479 1.00 72.31 H new ATOM 0 HA ALA A 39 1.928 -12.542 -1.262 1.00 32.05 H new ATOM 0 HB1 ALA A 39 2.337 -10.927 0.544 1.00 33.10 H new ATOM 0 HB2 ALA A 39 2.487 -12.604 1.120 1.00 33.10 H new ATOM 0 HB3 ALA A 39 3.947 -11.635 0.812 1.00 33.10 H new ATOM 650 N LEU A 40 4.831 -11.346 -2.088 1.00 63.33 N ATOM 651 CA LEU A 40 5.540 -10.395 -2.924 1.00 21.40 C ATOM 652 C LEU A 40 5.114 -10.528 -4.382 1.00 22.42 C ATOM 653 O LEU A 40 5.039 -9.535 -5.107 1.00 40.21 O ATOM 654 CB LEU A 40 7.051 -10.601 -2.790 1.00 62.33 C ATOM 655 CG LEU A 40 7.934 -9.608 -3.545 1.00 11.21 C ATOM 656 CD1 LEU A 40 7.712 -8.192 -3.035 1.00 5.11 C ATOM 657 CD2 LEU A 40 9.395 -9.999 -3.421 1.00 44.43 C ATOM 0 H LEU A 40 5.426 -12.071 -1.687 1.00 63.33 H new ATOM 0 HA LEU A 40 5.289 -9.389 -2.588 1.00 21.40 H new ATOM 0 HB2 LEU A 40 7.311 -10.556 -1.732 1.00 62.33 H new ATOM 0 HB3 LEU A 40 7.292 -11.606 -3.135 1.00 62.33 H new ATOM 0 HG LEU A 40 7.657 -9.635 -4.599 1.00 11.21 H new ATOM 0 HD11 LEU A 40 8.351 -7.502 -3.587 1.00 5.11 H new ATOM 0 HD12 LEU A 40 6.668 -7.913 -3.178 1.00 5.11 H new ATOM 0 HD13 LEU A 40 7.958 -8.145 -1.974 1.00 5.11 H new ATOM 0 HD21 LEU A 40 10.011 -9.282 -3.964 1.00 44.43 H new ATOM 0 HD22 LEU A 40 9.683 -10.002 -2.370 1.00 44.43 H new ATOM 0 HD23 LEU A 40 9.542 -10.994 -3.840 1.00 44.43 H new ATOM 669 N GLU A 41 4.820 -11.757 -4.805 1.00 43.43 N ATOM 670 CA GLU A 41 4.389 -12.010 -6.177 1.00 23.14 C ATOM 671 C GLU A 41 3.070 -11.289 -6.483 1.00 14.11 C ATOM 672 O GLU A 41 2.823 -10.882 -7.622 1.00 74.32 O ATOM 673 CB GLU A 41 4.274 -13.513 -6.456 1.00 53.33 C ATOM 674 CG GLU A 41 3.342 -14.256 -5.519 1.00 25.31 C ATOM 675 CD GLU A 41 3.174 -15.710 -5.898 1.00 21.25 C ATOM 676 OE1 GLU A 41 3.969 -16.551 -5.425 1.00 65.24 O ATOM 677 OE2 GLU A 41 2.244 -16.022 -6.676 1.00 61.45 O ATOM 0 H GLU A 41 4.873 -12.590 -4.218 1.00 43.43 H new ATOM 0 HA GLU A 41 5.152 -11.608 -6.843 1.00 23.14 H new ATOM 0 HB2 GLU A 41 3.928 -13.654 -7.480 1.00 53.33 H new ATOM 0 HB3 GLU A 41 5.266 -13.959 -6.390 1.00 53.33 H new ATOM 0 HG2 GLU A 41 3.729 -14.192 -4.502 1.00 25.31 H new ATOM 0 HG3 GLU A 41 2.367 -13.769 -5.521 1.00 25.31 H new ATOM 684 N LEU A 42 2.226 -11.131 -5.463 1.00 0.13 N ATOM 685 CA LEU A 42 0.981 -10.387 -5.620 1.00 64.33 C ATOM 686 C LEU A 42 1.292 -8.918 -5.826 1.00 4.52 C ATOM 687 O LEU A 42 0.817 -8.299 -6.775 1.00 10.50 O ATOM 688 CB LEU A 42 0.063 -10.557 -4.395 1.00 13.12 C ATOM 689 CG LEU A 42 -0.837 -11.802 -4.373 1.00 10.52 C ATOM 690 CD1 LEU A 42 -0.018 -13.078 -4.305 1.00 13.24 C ATOM 691 CD2 LEU A 42 -1.812 -11.729 -3.209 1.00 3.25 C ATOM 0 H LEU A 42 2.382 -11.506 -4.527 1.00 0.13 H new ATOM 0 HA LEU A 42 0.456 -10.783 -6.490 1.00 64.33 H new ATOM 0 HB2 LEU A 42 0.687 -10.573 -3.502 1.00 13.12 H new ATOM 0 HB3 LEU A 42 -0.574 -9.676 -4.323 1.00 13.12 H new ATOM 0 HG LEU A 42 -1.403 -11.823 -5.304 1.00 10.52 H new ATOM 0 HD11 LEU A 42 -0.686 -13.939 -4.291 1.00 13.24 H new ATOM 0 HD12 LEU A 42 0.634 -13.139 -5.176 1.00 13.24 H new ATOM 0 HD13 LEU A 42 0.587 -13.074 -3.399 1.00 13.24 H new ATOM 0 HD21 LEU A 42 -2.443 -12.618 -3.207 1.00 3.25 H new ATOM 0 HD22 LEU A 42 -1.257 -11.675 -2.272 1.00 3.25 H new ATOM 0 HD23 LEU A 42 -2.436 -10.841 -3.312 1.00 3.25 H new ATOM 703 N ILE A 43 2.122 -8.384 -4.936 1.00 72.31 N ATOM 704 CA ILE A 43 2.540 -6.986 -4.984 1.00 25.44 C ATOM 705 C ILE A 43 3.146 -6.645 -6.341 1.00 41.15 C ATOM 706 O ILE A 43 2.708 -5.706 -7.012 1.00 3.32 O ATOM 707 CB ILE A 43 3.576 -6.683 -3.872 1.00 42.34 C ATOM 708 CG1 ILE A 43 2.955 -6.889 -2.484 1.00 42.04 C ATOM 709 CG2 ILE A 43 4.132 -5.270 -4.008 1.00 65.41 C ATOM 710 CD1 ILE A 43 1.841 -5.915 -2.154 1.00 22.31 C ATOM 0 H ILE A 43 2.525 -8.909 -4.160 1.00 72.31 H new ATOM 0 HA ILE A 43 1.653 -6.373 -4.825 1.00 25.44 H new ATOM 0 HB ILE A 43 4.405 -7.382 -3.986 1.00 42.34 H new ATOM 0 HG12 ILE A 43 2.566 -7.905 -2.419 1.00 42.04 H new ATOM 0 HG13 ILE A 43 3.737 -6.798 -1.731 1.00 42.04 H new ATOM 0 HG21 ILE A 43 4.856 -5.086 -3.214 1.00 65.41 H new ATOM 0 HG22 ILE A 43 4.620 -5.163 -4.977 1.00 65.41 H new ATOM 0 HG23 ILE A 43 3.318 -4.550 -3.930 1.00 65.41 H new ATOM 0 HD11 ILE A 43 1.456 -6.127 -1.157 1.00 22.31 H new ATOM 0 HD12 ILE A 43 2.228 -4.896 -2.184 1.00 22.31 H new ATOM 0 HD13 ILE A 43 1.038 -6.020 -2.883 1.00 22.31 H new ATOM 722 N ASN A 44 4.137 -7.426 -6.745 1.00 23.11 N ATOM 723 CA ASN A 44 4.813 -7.218 -8.019 1.00 1.04 C ATOM 724 C ASN A 44 3.837 -7.341 -9.171 1.00 42.15 C ATOM 725 O ASN A 44 3.918 -6.588 -10.146 1.00 20.54 O ATOM 726 CB ASN A 44 5.967 -8.208 -8.195 1.00 23.34 C ATOM 727 CG ASN A 44 7.105 -7.949 -7.228 1.00 2.13 C ATOM 728 OD1 ASN A 44 7.350 -6.814 -6.827 1.00 14.33 O ATOM 729 ND2 ASN A 44 7.805 -8.997 -6.847 1.00 61.03 N ATOM 0 H ASN A 44 4.493 -8.215 -6.206 1.00 23.11 H new ATOM 0 HA ASN A 44 5.224 -6.208 -8.018 1.00 1.04 H new ATOM 0 HB2 ASN A 44 5.596 -9.223 -8.052 1.00 23.34 H new ATOM 0 HB3 ASN A 44 6.341 -8.147 -9.217 1.00 23.34 H new ATOM 0 HD21 ASN A 44 8.582 -8.882 -6.196 1.00 61.03 H new ATOM 0 HD22 ASN A 44 7.570 -9.924 -7.203 1.00 61.03 H new ATOM 736 N GLY A 45 2.899 -8.277 -9.046 1.00 63.21 N ATOM 737 CA GLY A 45 1.890 -8.473 -10.067 1.00 64.11 C ATOM 738 C GLY A 45 1.061 -7.228 -10.292 1.00 3.40 C ATOM 739 O GLY A 45 0.766 -6.868 -11.436 1.00 65.23 O ATOM 0 H GLY A 45 2.822 -8.907 -8.247 1.00 63.21 H new ATOM 0 HA2 GLY A 45 2.371 -8.762 -11.001 1.00 64.11 H new ATOM 0 HA3 GLY A 45 1.237 -9.296 -9.778 1.00 64.11 H new ATOM 743 N TYR A 46 0.683 -6.564 -9.205 1.00 0.52 N ATOM 744 CA TYR A 46 -0.074 -5.326 -9.301 1.00 2.41 C ATOM 745 C TYR A 46 0.775 -4.258 -9.968 1.00 41.12 C ATOM 746 O TYR A 46 0.322 -3.572 -10.879 1.00 34.13 O ATOM 747 CB TYR A 46 -0.535 -4.843 -7.918 1.00 32.35 C ATOM 748 CG TYR A 46 -1.406 -5.833 -7.177 1.00 71.11 C ATOM 749 CD1 TYR A 46 -2.473 -6.458 -7.807 1.00 23.54 C ATOM 750 CD2 TYR A 46 -1.153 -6.150 -5.849 1.00 22.04 C ATOM 751 CE1 TYR A 46 -3.263 -7.367 -7.136 1.00 50.14 C ATOM 752 CE2 TYR A 46 -1.938 -7.063 -5.171 1.00 4.31 C ATOM 753 CZ TYR A 46 -2.991 -7.668 -5.819 1.00 73.03 C ATOM 754 OH TYR A 46 -3.774 -8.583 -5.150 1.00 52.10 O ATOM 0 H TYR A 46 0.889 -6.863 -8.252 1.00 0.52 H new ATOM 0 HA TYR A 46 -0.963 -5.516 -9.902 1.00 2.41 H new ATOM 0 HB2 TYR A 46 0.343 -4.622 -7.311 1.00 32.35 H new ATOM 0 HB3 TYR A 46 -1.084 -3.909 -8.036 1.00 32.35 H new ATOM 0 HD1 TYR A 46 -2.688 -6.228 -8.840 1.00 23.54 H new ATOM 0 HD2 TYR A 46 -0.329 -5.675 -5.337 1.00 22.04 H new ATOM 0 HE1 TYR A 46 -4.092 -7.841 -7.641 1.00 50.14 H new ATOM 0 HE2 TYR A 46 -1.727 -7.300 -4.139 1.00 4.31 H new ATOM 0 HH TYR A 46 -4.121 -8.178 -4.328 1.00 52.10 H new ATOM 764 N ILE A 47 2.030 -4.153 -9.524 1.00 53.14 N ATOM 765 CA ILE A 47 2.983 -3.180 -10.068 1.00 23.33 C ATOM 766 C ILE A 47 3.104 -3.311 -11.594 1.00 13.34 C ATOM 767 O ILE A 47 3.288 -2.313 -12.302 1.00 74.23 O ATOM 768 CB ILE A 47 4.385 -3.345 -9.413 1.00 74.34 C ATOM 769 CG1 ILE A 47 4.301 -3.080 -7.903 1.00 32.44 C ATOM 770 CG2 ILE A 47 5.410 -2.416 -10.064 1.00 41.02 C ATOM 771 CD1 ILE A 47 5.615 -3.266 -7.170 1.00 23.24 C ATOM 0 H ILE A 47 2.414 -4.737 -8.781 1.00 53.14 H new ATOM 0 HA ILE A 47 2.600 -2.187 -9.834 1.00 23.33 H new ATOM 0 HB ILE A 47 4.715 -4.372 -9.571 1.00 74.34 H new ATOM 0 HG12 ILE A 47 3.948 -2.061 -7.742 1.00 32.44 H new ATOM 0 HG13 ILE A 47 3.557 -3.747 -7.468 1.00 32.44 H new ATOM 0 HG21 ILE A 47 6.380 -2.553 -9.586 1.00 41.02 H new ATOM 0 HG22 ILE A 47 5.492 -2.651 -11.125 1.00 41.02 H new ATOM 0 HG23 ILE A 47 5.090 -1.381 -9.945 1.00 41.02 H new ATOM 0 HD11 ILE A 47 5.472 -3.060 -6.109 1.00 23.24 H new ATOM 0 HD12 ILE A 47 5.961 -4.292 -7.297 1.00 23.24 H new ATOM 0 HD13 ILE A 47 6.358 -2.580 -7.576 1.00 23.24 H new ATOM 783 N GLN A 48 2.980 -4.540 -12.096 1.00 3.41 N ATOM 784 CA GLN A 48 3.061 -4.787 -13.537 1.00 71.53 C ATOM 785 C GLN A 48 1.947 -4.038 -14.271 1.00 72.24 C ATOM 786 O GLN A 48 2.179 -3.414 -15.306 1.00 14.11 O ATOM 787 CB GLN A 48 2.972 -6.293 -13.854 1.00 64.42 C ATOM 788 CG GLN A 48 3.988 -7.166 -13.119 1.00 71.34 C ATOM 789 CD GLN A 48 5.423 -6.687 -13.267 1.00 75.13 C ATOM 790 OE1 GLN A 48 6.121 -7.052 -14.212 1.00 22.41 O ATOM 791 NE2 GLN A 48 5.884 -5.902 -12.313 1.00 2.31 N ATOM 0 H GLN A 48 2.824 -5.375 -11.531 1.00 3.41 H new ATOM 0 HA GLN A 48 4.028 -4.421 -13.881 1.00 71.53 H new ATOM 0 HB2 GLN A 48 1.969 -6.643 -13.608 1.00 64.42 H new ATOM 0 HB3 GLN A 48 3.104 -6.432 -14.927 1.00 64.42 H new ATOM 0 HG2 GLN A 48 3.731 -7.195 -12.060 1.00 71.34 H new ATOM 0 HG3 GLN A 48 3.914 -8.187 -13.493 1.00 71.34 H new ATOM 0 HE21 GLN A 48 5.274 -5.621 -11.545 1.00 2.31 H new ATOM 0 HE22 GLN A 48 6.850 -5.576 -12.343 1.00 2.31 H new ATOM 800 N LYS A 49 0.748 -4.072 -13.705 1.00 1.21 N ATOM 801 CA LYS A 49 -0.404 -3.420 -14.313 1.00 73.30 C ATOM 802 C LYS A 49 -0.428 -1.925 -14.005 1.00 44.33 C ATOM 803 O LYS A 49 -0.716 -1.111 -14.882 1.00 44.45 O ATOM 804 CB LYS A 49 -1.707 -4.066 -13.834 1.00 73.54 C ATOM 805 CG LYS A 49 -1.897 -5.500 -14.294 1.00 21.34 C ATOM 806 CD LYS A 49 -3.239 -6.050 -13.831 1.00 64.31 C ATOM 807 CE LYS A 49 -3.492 -7.442 -14.386 1.00 15.44 C ATOM 808 NZ LYS A 49 -4.802 -7.980 -13.951 1.00 2.22 N ATOM 0 H LYS A 49 0.548 -4.545 -12.824 1.00 1.21 H new ATOM 0 HA LYS A 49 -0.316 -3.547 -15.392 1.00 73.30 H new ATOM 0 HB2 LYS A 49 -1.733 -4.039 -12.745 1.00 73.54 H new ATOM 0 HB3 LYS A 49 -2.547 -3.468 -14.188 1.00 73.54 H new ATOM 0 HG2 LYS A 49 -1.836 -5.548 -15.381 1.00 21.34 H new ATOM 0 HG3 LYS A 49 -1.091 -6.121 -13.902 1.00 21.34 H new ATOM 0 HD2 LYS A 49 -3.264 -6.081 -12.742 1.00 64.31 H new ATOM 0 HD3 LYS A 49 -4.037 -5.380 -14.149 1.00 64.31 H new ATOM 0 HE2 LYS A 49 -3.456 -7.411 -15.475 1.00 15.44 H new ATOM 0 HE3 LYS A 49 -2.697 -8.113 -14.060 1.00 15.44 H new ATOM 0 HZ1 LYS A 49 -4.937 -8.931 -14.350 1.00 2.22 H new ATOM 0 HZ2 LYS A 49 -4.828 -8.034 -12.913 1.00 2.22 H new ATOM 0 HZ3 LYS A 49 -5.562 -7.354 -14.284 1.00 2.22 H new ATOM 822 N ILE A 50 -0.115 -1.573 -12.760 1.00 74.13 N ATOM 823 CA ILE A 50 -0.147 -0.176 -12.312 1.00 43.14 C ATOM 824 C ILE A 50 0.739 0.720 -13.177 1.00 32.25 C ATOM 825 O ILE A 50 0.319 1.794 -13.605 1.00 41.41 O ATOM 826 CB ILE A 50 0.272 -0.043 -10.827 1.00 64.33 C ATOM 827 CG1 ILE A 50 -0.682 -0.847 -9.937 1.00 53.10 C ATOM 828 CG2 ILE A 50 0.279 1.424 -10.405 1.00 24.22 C ATOM 829 CD1 ILE A 50 -0.232 -0.958 -8.497 1.00 51.02 C ATOM 0 H ILE A 50 0.165 -2.237 -12.038 1.00 74.13 H new ATOM 0 HA ILE A 50 -1.180 0.156 -12.416 1.00 43.14 H new ATOM 0 HB ILE A 50 1.280 -0.441 -10.712 1.00 64.33 H new ATOM 0 HG12 ILE A 50 -1.667 -0.382 -9.964 1.00 53.10 H new ATOM 0 HG13 ILE A 50 -0.791 -1.849 -10.351 1.00 53.10 H new ATOM 0 HG21 ILE A 50 0.576 1.500 -9.359 1.00 24.22 H new ATOM 0 HG22 ILE A 50 0.986 1.977 -11.024 1.00 24.22 H new ATOM 0 HG23 ILE A 50 -0.719 1.844 -10.531 1.00 24.22 H new ATOM 0 HD11 ILE A 50 -0.960 -1.541 -7.932 1.00 51.02 H new ATOM 0 HD12 ILE A 50 0.739 -1.452 -8.456 1.00 51.02 H new ATOM 0 HD13 ILE A 50 -0.151 0.039 -8.063 1.00 51.02 H new ATOM 841 N LYS A 51 1.946 0.267 -13.460 1.00 32.13 N ATOM 842 CA LYS A 51 2.874 1.057 -14.262 1.00 73.11 C ATOM 843 C LYS A 51 2.532 0.992 -15.751 1.00 30.22 C ATOM 844 O LYS A 51 3.164 1.660 -16.572 1.00 51.14 O ATOM 845 CB LYS A 51 4.317 0.624 -14.010 1.00 5.12 C ATOM 846 CG LYS A 51 4.807 0.905 -12.590 1.00 25.33 C ATOM 847 CD LYS A 51 4.799 2.403 -12.270 1.00 62.23 C ATOM 848 CE LYS A 51 5.834 3.166 -13.091 1.00 1.42 C ATOM 849 NZ LYS A 51 5.752 4.632 -12.865 1.00 11.11 N ATOM 0 H LYS A 51 2.309 -0.635 -13.152 1.00 32.13 H new ATOM 0 HA LYS A 51 2.772 2.097 -13.951 1.00 73.11 H new ATOM 0 HB2 LYS A 51 4.406 -0.444 -14.210 1.00 5.12 H new ATOM 0 HB3 LYS A 51 4.969 1.137 -14.717 1.00 5.12 H new ATOM 0 HG2 LYS A 51 4.174 0.378 -11.876 1.00 25.33 H new ATOM 0 HG3 LYS A 51 5.817 0.513 -12.470 1.00 25.33 H new ATOM 0 HD2 LYS A 51 3.807 2.811 -12.467 1.00 62.23 H new ATOM 0 HD3 LYS A 51 4.999 2.548 -11.208 1.00 62.23 H new ATOM 0 HE2 LYS A 51 6.833 2.815 -12.832 1.00 1.42 H new ATOM 0 HE3 LYS A 51 5.685 2.953 -14.150 1.00 1.42 H new ATOM 0 HZ1 LYS A 51 6.472 5.113 -13.441 1.00 11.11 H new ATOM 0 HZ2 LYS A 51 4.807 4.973 -13.136 1.00 11.11 H new ATOM 0 HZ3 LYS A 51 5.919 4.838 -11.859 1.00 11.11 H new ATOM 863 N SER A 52 1.534 0.192 -16.093 1.00 34.35 N ATOM 864 CA SER A 52 1.084 0.085 -17.468 1.00 62.20 C ATOM 865 C SER A 52 -0.090 1.034 -17.721 1.00 70.55 C ATOM 866 O SER A 52 -0.389 1.383 -18.866 1.00 3.42 O ATOM 867 CB SER A 52 0.679 -1.353 -17.789 1.00 21.23 C ATOM 868 OG SER A 52 1.786 -2.242 -17.678 1.00 71.11 O ATOM 0 H SER A 52 1.021 -0.393 -15.434 1.00 34.35 H new ATOM 0 HA SER A 52 1.909 0.368 -18.122 1.00 62.20 H new ATOM 0 HB2 SER A 52 -0.113 -1.670 -17.110 1.00 21.23 H new ATOM 0 HB3 SER A 52 0.272 -1.401 -18.799 1.00 21.23 H new ATOM 0 HG SER A 52 1.922 -2.479 -16.737 1.00 71.11 H new ATOM 874 N GLY A 53 -0.748 1.450 -16.640 1.00 22.55 N ATOM 875 CA GLY A 53 -1.866 2.365 -16.752 1.00 22.42 C ATOM 876 C GLY A 53 -3.079 1.731 -17.408 1.00 41.13 C ATOM 877 O GLY A 53 -3.674 2.312 -18.314 1.00 33.22 O ATOM 0 H GLY A 53 -0.523 1.166 -15.686 1.00 22.55 H new ATOM 0 HA2 GLY A 53 -2.140 2.721 -15.759 1.00 22.42 H new ATOM 0 HA3 GLY A 53 -1.560 3.237 -17.330 1.00 22.42 H new ATOM 881 N GLU A 54 -3.437 0.541 -16.958 1.00 41.31 N ATOM 882 CA GLU A 54 -4.588 -0.174 -17.509 1.00 40.10 C ATOM 883 C GLU A 54 -5.505 -0.657 -16.393 1.00 44.20 C ATOM 884 O GLU A 54 -6.458 -1.406 -16.626 1.00 24.13 O ATOM 885 CB GLU A 54 -4.122 -1.364 -18.357 1.00 15.24 C ATOM 886 CG GLU A 54 -3.253 -2.359 -17.599 1.00 22.12 C ATOM 887 CD GLU A 54 -2.877 -3.557 -18.440 1.00 71.42 C ATOM 888 OE1 GLU A 54 -1.989 -3.423 -19.309 1.00 34.10 O ATOM 889 OE2 GLU A 54 -3.459 -4.640 -18.234 1.00 73.25 O ATOM 0 H GLU A 54 -2.950 0.044 -16.212 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.145 0.515 -18.144 1.00 40.10 H new ATOM 0 HB2 GLU A 54 -4.997 -1.884 -18.747 1.00 15.24 H new ATOM 0 HB3 GLU A 54 -3.564 -0.990 -19.215 1.00 15.24 H new ATOM 0 HG2 GLU A 54 -2.346 -1.859 -17.259 1.00 22.12 H new ATOM 0 HG3 GLU A 54 -3.784 -2.696 -16.709 1.00 22.12 H new ATOM 896 N GLU A 55 -5.225 -0.214 -15.192 1.00 44.34 N ATOM 897 CA GLU A 55 -5.974 -0.632 -14.022 1.00 72.41 C ATOM 898 C GLU A 55 -6.440 0.565 -13.203 1.00 20.11 C ATOM 899 O GLU A 55 -6.446 1.701 -13.686 1.00 14.22 O ATOM 900 CB GLU A 55 -5.107 -1.559 -13.150 1.00 14.20 C ATOM 901 CG GLU A 55 -3.627 -1.168 -13.076 1.00 44.23 C ATOM 902 CD GLU A 55 -3.393 0.303 -12.772 1.00 42.11 C ATOM 903 OE1 GLU A 55 -3.530 0.707 -11.608 1.00 44.45 O ATOM 904 OE2 GLU A 55 -3.072 1.062 -13.714 1.00 44.33 O ATOM 0 H GLU A 55 -4.473 0.446 -14.993 1.00 44.34 H new ATOM 0 HA GLU A 55 -6.858 -1.171 -14.362 1.00 72.41 H new ATOM 0 HB2 GLU A 55 -5.516 -1.573 -12.140 1.00 14.20 H new ATOM 0 HB3 GLU A 55 -5.182 -2.575 -13.538 1.00 14.20 H new ATOM 0 HG2 GLU A 55 -3.140 -1.769 -12.308 1.00 44.23 H new ATOM 0 HG3 GLU A 55 -3.149 -1.414 -14.024 1.00 44.23 H new ATOM 911 N ASP A 56 -6.848 0.294 -11.982 1.00 75.11 N ATOM 912 CA ASP A 56 -7.219 1.329 -11.049 1.00 30.25 C ATOM 913 C ASP A 56 -6.701 0.970 -9.673 1.00 41.31 C ATOM 914 O ASP A 56 -7.146 -0.014 -9.074 1.00 20.04 O ATOM 915 CB ASP A 56 -8.728 1.538 -11.008 1.00 14.11 C ATOM 916 CG ASP A 56 -9.113 2.659 -10.072 1.00 12.02 C ATOM 917 OD1 ASP A 56 -8.763 3.826 -10.361 1.00 51.34 O ATOM 918 OD2 ASP A 56 -9.753 2.386 -9.039 1.00 71.24 O ATOM 0 H ASP A 56 -6.931 -0.652 -11.610 1.00 75.11 H new ATOM 0 HA ASP A 56 -6.771 2.266 -11.380 1.00 30.25 H new ATOM 0 HB2 ASP A 56 -9.092 1.761 -12.011 1.00 14.11 H new ATOM 0 HB3 ASP A 56 -9.214 0.616 -10.690 1.00 14.11 H new ATOM 923 N PHE A 57 -5.756 1.758 -9.182 1.00 64.51 N ATOM 924 CA PHE A 57 -5.117 1.499 -7.900 1.00 11.31 C ATOM 925 C PHE A 57 -6.137 1.433 -6.776 1.00 13.32 C ATOM 926 O PHE A 57 -6.012 0.616 -5.875 1.00 31.02 O ATOM 927 CB PHE A 57 -4.063 2.569 -7.597 1.00 64.11 C ATOM 928 CG PHE A 57 -3.177 2.230 -6.427 1.00 62.03 C ATOM 929 CD1 PHE A 57 -2.040 1.462 -6.609 1.00 54.13 C ATOM 930 CD2 PHE A 57 -3.481 2.674 -5.152 1.00 63.24 C ATOM 931 CE1 PHE A 57 -1.223 1.144 -5.543 1.00 23.44 C ATOM 932 CE2 PHE A 57 -2.666 2.359 -4.082 1.00 71.21 C ATOM 933 CZ PHE A 57 -1.535 1.593 -4.279 1.00 21.31 C ATOM 0 H PHE A 57 -5.412 2.592 -9.658 1.00 64.51 H new ATOM 0 HA PHE A 57 -4.625 0.529 -7.966 1.00 11.31 H new ATOM 0 HB2 PHE A 57 -3.443 2.716 -8.481 1.00 64.11 H new ATOM 0 HB3 PHE A 57 -4.565 3.516 -7.399 1.00 64.11 H new ATOM 0 HD1 PHE A 57 -1.789 1.107 -7.598 1.00 54.13 H new ATOM 0 HD2 PHE A 57 -4.365 3.273 -4.992 1.00 63.24 H new ATOM 0 HE1 PHE A 57 -0.339 0.543 -5.700 1.00 23.44 H new ATOM 0 HE2 PHE A 57 -2.914 2.712 -3.092 1.00 71.21 H new ATOM 0 HZ PHE A 57 -0.896 1.346 -3.444 1.00 21.31 H new ATOM 943 N GLU A 58 -7.150 2.286 -6.842 1.00 24.40 N ATOM 944 CA GLU A 58 -8.191 2.310 -5.826 1.00 1.00 C ATOM 945 C GLU A 58 -8.933 0.981 -5.774 1.00 54.01 C ATOM 946 O GLU A 58 -9.146 0.422 -4.697 1.00 23.03 O ATOM 947 CB GLU A 58 -9.166 3.446 -6.089 1.00 35.12 C ATOM 948 CG GLU A 58 -8.580 4.821 -5.847 1.00 53.41 C ATOM 949 CD GLU A 58 -9.595 5.914 -6.029 1.00 62.14 C ATOM 950 OE1 GLU A 58 -9.791 6.360 -7.177 1.00 14.41 O ATOM 951 OE2 GLU A 58 -10.217 6.332 -5.023 1.00 5.14 O ATOM 0 H GLU A 58 -7.272 2.970 -7.589 1.00 24.40 H new ATOM 0 HA GLU A 58 -7.714 2.474 -4.860 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.511 3.385 -7.121 1.00 35.12 H new ATOM 0 HB3 GLU A 58 -10.041 3.317 -5.452 1.00 35.12 H new ATOM 0 HG2 GLU A 58 -8.176 4.868 -4.836 1.00 53.41 H new ATOM 0 HG3 GLU A 58 -7.747 4.984 -6.531 1.00 53.41 H new ATOM 958 N SER A 59 -9.317 0.478 -6.934 1.00 13.04 N ATOM 959 CA SER A 59 -10.002 -0.799 -7.020 1.00 60.42 C ATOM 960 C SER A 59 -9.087 -1.925 -6.520 1.00 41.10 C ATOM 961 O SER A 59 -9.532 -2.840 -5.814 1.00 3.15 O ATOM 962 CB SER A 59 -10.448 -1.066 -8.464 1.00 32.43 C ATOM 963 OG SER A 59 -11.353 -2.158 -8.530 1.00 71.54 O ATOM 0 H SER A 59 -9.165 0.937 -7.832 1.00 13.04 H new ATOM 0 HA SER A 59 -10.888 -0.767 -6.386 1.00 60.42 H new ATOM 0 HB2 SER A 59 -10.922 -0.173 -8.872 1.00 32.43 H new ATOM 0 HB3 SER A 59 -9.576 -1.275 -9.084 1.00 32.43 H new ATOM 0 HG SER A 59 -11.622 -2.304 -9.461 1.00 71.54 H new ATOM 969 N LEU A 60 -7.804 -1.835 -6.869 1.00 31.51 N ATOM 970 CA LEU A 60 -6.818 -2.824 -6.446 1.00 4.32 C ATOM 971 C LEU A 60 -6.612 -2.774 -4.935 1.00 14.12 C ATOM 972 O LEU A 60 -6.556 -3.802 -4.274 1.00 41.44 O ATOM 973 CB LEU A 60 -5.481 -2.596 -7.163 1.00 55.01 C ATOM 974 CG LEU A 60 -5.496 -2.754 -8.686 1.00 31.44 C ATOM 975 CD1 LEU A 60 -4.135 -2.411 -9.271 1.00 72.52 C ATOM 976 CD2 LEU A 60 -5.896 -4.170 -9.075 1.00 2.54 C ATOM 0 H LEU A 60 -7.424 -1.084 -7.445 1.00 31.51 H new ATOM 0 HA LEU A 60 -7.198 -3.810 -6.713 1.00 4.32 H new ATOM 0 HB2 LEU A 60 -5.132 -1.591 -6.926 1.00 55.01 H new ATOM 0 HB3 LEU A 60 -4.749 -3.292 -6.753 1.00 55.01 H new ATOM 0 HG LEU A 60 -6.234 -2.063 -9.093 1.00 31.44 H new ATOM 0 HD11 LEU A 60 -4.164 -2.529 -10.354 1.00 72.52 H new ATOM 0 HD12 LEU A 60 -3.883 -1.380 -9.025 1.00 72.52 H new ATOM 0 HD13 LEU A 60 -3.381 -3.078 -8.854 1.00 72.52 H new ATOM 0 HD21 LEU A 60 -5.901 -4.261 -10.161 1.00 2.54 H new ATOM 0 HD22 LEU A 60 -5.182 -4.878 -8.654 1.00 2.54 H new ATOM 0 HD23 LEU A 60 -6.892 -4.386 -8.689 1.00 2.54 H new ATOM 988 N ALA A 61 -6.526 -1.568 -4.398 1.00 23.11 N ATOM 989 CA ALA A 61 -6.323 -1.360 -2.968 1.00 32.22 C ATOM 990 C ALA A 61 -7.562 -1.738 -2.163 1.00 5.13 C ATOM 991 O ALA A 61 -7.526 -1.785 -0.934 1.00 32.23 O ATOM 992 CB ALA A 61 -5.929 0.080 -2.697 1.00 51.24 C ATOM 0 H ALA A 61 -6.594 -0.705 -4.937 1.00 23.11 H new ATOM 0 HA ALA A 61 -5.512 -2.015 -2.648 1.00 32.22 H new ATOM 0 HB1 ALA A 61 -5.781 0.221 -1.626 1.00 51.24 H new ATOM 0 HB2 ALA A 61 -5.003 0.309 -3.225 1.00 51.24 H new ATOM 0 HB3 ALA A 61 -6.719 0.745 -3.045 1.00 51.24 H new ATOM 998 N SER A 62 -8.652 -1.981 -2.852 1.00 11.32 N ATOM 999 CA SER A 62 -9.877 -2.364 -2.203 1.00 60.41 C ATOM 1000 C SER A 62 -10.125 -3.868 -2.325 1.00 11.22 C ATOM 1001 O SER A 62 -10.061 -4.597 -1.340 1.00 63.55 O ATOM 1002 CB SER A 62 -11.053 -1.583 -2.796 1.00 25.23 C ATOM 1003 OG SER A 62 -10.829 -0.186 -2.716 1.00 74.13 O ATOM 0 H SER A 62 -8.712 -1.919 -3.868 1.00 11.32 H new ATOM 0 HA SER A 62 -9.786 -2.125 -1.143 1.00 60.41 H new ATOM 0 HB2 SER A 62 -11.198 -1.872 -3.837 1.00 25.23 H new ATOM 0 HB3 SER A 62 -11.969 -1.839 -2.264 1.00 25.23 H new ATOM 0 HG SER A 62 -10.331 0.111 -3.506 1.00 74.13 H new ATOM 1009 N GLN A 63 -10.362 -4.331 -3.547 1.00 60.32 N ATOM 1010 CA GLN A 63 -10.739 -5.726 -3.785 1.00 44.43 C ATOM 1011 C GLN A 63 -9.537 -6.669 -3.840 1.00 75.30 C ATOM 1012 O GLN A 63 -9.694 -7.882 -3.728 1.00 34.04 O ATOM 1013 CB GLN A 63 -11.547 -5.835 -5.077 1.00 64.22 C ATOM 1014 CG GLN A 63 -12.856 -5.064 -5.045 1.00 61.34 C ATOM 1015 CD GLN A 63 -13.591 -5.116 -6.366 1.00 75.23 C ATOM 1016 OE1 GLN A 63 -14.390 -6.020 -6.612 1.00 25.52 O ATOM 1017 NE2 GLN A 63 -13.334 -4.148 -7.223 1.00 0.12 N ATOM 0 H GLN A 63 -10.301 -3.763 -4.392 1.00 60.32 H new ATOM 0 HA GLN A 63 -11.347 -6.038 -2.936 1.00 44.43 H new ATOM 0 HB2 GLN A 63 -10.941 -5.470 -5.906 1.00 64.22 H new ATOM 0 HB3 GLN A 63 -11.759 -6.886 -5.275 1.00 64.22 H new ATOM 0 HG2 GLN A 63 -13.495 -5.471 -4.261 1.00 61.34 H new ATOM 0 HG3 GLN A 63 -12.656 -4.025 -4.785 1.00 61.34 H new ATOM 0 HE21 GLN A 63 -12.665 -3.417 -6.981 1.00 0.12 H new ATOM 0 HE22 GLN A 63 -13.804 -4.130 -8.128 1.00 0.12 H new ATOM 1026 N PHE A 64 -8.352 -6.124 -4.010 1.00 64.21 N ATOM 1027 CA PHE A 64 -7.152 -6.951 -4.109 1.00 31.42 C ATOM 1028 C PHE A 64 -6.209 -6.694 -2.943 1.00 41.44 C ATOM 1029 O PHE A 64 -5.006 -6.971 -3.023 1.00 35.01 O ATOM 1030 CB PHE A 64 -6.446 -6.710 -5.445 1.00 32.14 C ATOM 1031 CG PHE A 64 -7.189 -7.262 -6.630 1.00 63.31 C ATOM 1032 CD1 PHE A 64 -8.169 -6.514 -7.264 1.00 61.21 C ATOM 1033 CD2 PHE A 64 -6.910 -8.531 -7.107 1.00 62.23 C ATOM 1034 CE1 PHE A 64 -8.852 -7.022 -8.350 1.00 31.03 C ATOM 1035 CE2 PHE A 64 -7.591 -9.045 -8.194 1.00 31.32 C ATOM 1036 CZ PHE A 64 -8.562 -8.289 -8.817 1.00 61.34 C ATOM 0 H PHE A 64 -8.186 -5.120 -4.083 1.00 64.21 H new ATOM 0 HA PHE A 64 -7.456 -7.997 -4.063 1.00 31.42 H new ATOM 0 HB2 PHE A 64 -6.305 -5.638 -5.583 1.00 32.14 H new ATOM 0 HB3 PHE A 64 -5.454 -7.160 -5.408 1.00 32.14 H new ATOM 0 HD1 PHE A 64 -8.400 -5.522 -6.904 1.00 61.21 H new ATOM 0 HD2 PHE A 64 -6.150 -9.127 -6.623 1.00 62.23 H new ATOM 0 HE1 PHE A 64 -9.613 -6.429 -8.835 1.00 31.03 H new ATOM 0 HE2 PHE A 64 -7.363 -10.037 -8.555 1.00 31.32 H new ATOM 0 HZ PHE A 64 -9.094 -8.687 -9.668 1.00 61.34 H new ATOM 1046 N SER A 65 -6.761 -6.183 -1.861 1.00 1.05 N ATOM 1047 CA SER A 65 -5.998 -5.901 -0.670 1.00 52.30 C ATOM 1048 C SER A 65 -6.616 -6.636 0.514 1.00 60.53 C ATOM 1049 O SER A 65 -7.840 -6.709 0.639 1.00 0.50 O ATOM 1050 CB SER A 65 -5.966 -4.388 -0.414 1.00 62.11 C ATOM 1051 OG SER A 65 -5.150 -4.057 0.703 1.00 34.14 O ATOM 0 H SER A 65 -7.752 -5.953 -1.786 1.00 1.05 H new ATOM 0 HA SER A 65 -4.973 -6.247 -0.802 1.00 52.30 H new ATOM 0 HB2 SER A 65 -5.592 -3.877 -1.301 1.00 62.11 H new ATOM 0 HB3 SER A 65 -6.980 -4.027 -0.243 1.00 62.11 H new ATOM 0 HG SER A 65 -4.471 -4.752 0.830 1.00 34.14 H new ATOM 1057 N ASP A 66 -5.769 -7.178 1.380 1.00 23.22 N ATOM 1058 CA ASP A 66 -6.235 -7.926 2.551 1.00 34.25 C ATOM 1059 C ASP A 66 -6.528 -6.976 3.704 1.00 31.54 C ATOM 1060 O ASP A 66 -6.741 -7.406 4.842 1.00 34.05 O ATOM 1061 CB ASP A 66 -5.176 -8.939 3.007 1.00 13.01 C ATOM 1062 CG ASP A 66 -4.662 -9.831 1.897 1.00 73.50 C ATOM 1063 OD1 ASP A 66 -5.391 -10.750 1.463 1.00 21.50 O ATOM 1064 OD2 ASP A 66 -3.514 -9.629 1.475 1.00 12.22 O ATOM 0 H ASP A 66 -4.754 -7.116 1.297 1.00 23.22 H new ATOM 0 HA ASP A 66 -7.144 -8.455 2.266 1.00 34.25 H new ATOM 0 HB2 ASP A 66 -4.336 -8.400 3.445 1.00 13.01 H new ATOM 0 HB3 ASP A 66 -5.599 -9.563 3.794 1.00 13.01 H new ATOM 1069 N ALA A 67 -6.541 -5.694 3.413 1.00 22.41 N ATOM 1070 CA ALA A 67 -6.740 -4.684 4.428 1.00 52.15 C ATOM 1071 C ALA A 67 -8.144 -4.105 4.387 1.00 52.20 C ATOM 1072 O ALA A 67 -8.845 -4.205 3.378 1.00 61.22 O ATOM 1073 CB ALA A 67 -5.717 -3.581 4.262 1.00 60.13 C ATOM 0 H ALA A 67 -6.415 -5.324 2.471 1.00 22.41 H new ATOM 0 HA ALA A 67 -6.612 -5.161 5.400 1.00 52.15 H new ATOM 0 HB1 ALA A 67 -5.872 -2.823 5.030 1.00 60.13 H new ATOM 0 HB2 ALA A 67 -4.714 -3.997 4.360 1.00 60.13 H new ATOM 0 HB3 ALA A 67 -5.827 -3.128 3.277 1.00 60.13 H new ATOM 1079 N SER A 68 -8.537 -3.488 5.489 1.00 65.03 N ATOM 1080 CA SER A 68 -9.831 -2.839 5.601 1.00 34.34 C ATOM 1081 C SER A 68 -9.825 -1.502 4.860 1.00 11.12 C ATOM 1082 O SER A 68 -10.851 -0.835 4.749 1.00 2.52 O ATOM 1083 CB SER A 68 -10.183 -2.622 7.073 1.00 42.11 C ATOM 1084 OG SER A 68 -10.148 -3.848 7.786 1.00 53.33 O ATOM 0 H SER A 68 -7.966 -3.423 6.332 1.00 65.03 H new ATOM 0 HA SER A 68 -10.584 -3.484 5.147 1.00 34.34 H new ATOM 0 HB2 SER A 68 -9.482 -1.917 7.519 1.00 42.11 H new ATOM 0 HB3 SER A 68 -11.175 -2.178 7.153 1.00 42.11 H new ATOM 0 HG SER A 68 -10.374 -3.687 8.726 1.00 53.33 H new ATOM 1090 N SER A 69 -8.648 -1.122 4.354 1.00 12.01 N ATOM 1091 CA SER A 69 -8.457 0.133 3.628 1.00 41.55 C ATOM 1092 C SER A 69 -9.432 0.280 2.446 1.00 25.12 C ATOM 1093 O SER A 69 -9.637 1.389 1.942 1.00 40.53 O ATOM 1094 CB SER A 69 -7.021 0.231 3.140 1.00 33.20 C ATOM 1095 OG SER A 69 -6.107 0.105 4.221 1.00 50.42 O ATOM 0 H SER A 69 -7.798 -1.680 4.438 1.00 12.01 H new ATOM 0 HA SER A 69 -8.668 0.948 4.320 1.00 41.55 H new ATOM 0 HB2 SER A 69 -6.829 -0.550 2.404 1.00 33.20 H new ATOM 0 HB3 SER A 69 -6.868 1.187 2.639 1.00 33.20 H new ATOM 0 HG SER A 69 -5.577 0.926 4.299 1.00 50.42 H new ATOM 1101 N ALA A 70 -10.019 -0.840 2.010 1.00 22.41 N ATOM 1102 CA ALA A 70 -11.030 -0.846 0.950 1.00 63.35 C ATOM 1103 C ALA A 70 -12.141 0.177 1.225 1.00 70.51 C ATOM 1104 O ALA A 70 -12.741 0.718 0.296 1.00 44.55 O ATOM 1105 CB ALA A 70 -11.628 -2.239 0.817 1.00 5.20 C ATOM 0 H ALA A 70 -9.806 -1.766 2.382 1.00 22.41 H new ATOM 0 HA ALA A 70 -10.542 -0.566 0.017 1.00 63.35 H new ATOM 0 HB1 ALA A 70 -12.379 -2.239 0.027 1.00 5.20 H new ATOM 0 HB2 ALA A 70 -10.841 -2.951 0.568 1.00 5.20 H new ATOM 0 HB3 ALA A 70 -12.093 -2.527 1.760 1.00 5.20 H new ATOM 1111 N LYS A 71 -12.393 0.446 2.510 1.00 52.33 N ATOM 1112 CA LYS A 71 -13.418 1.410 2.929 1.00 43.14 C ATOM 1113 C LYS A 71 -13.136 2.812 2.369 1.00 32.13 C ATOM 1114 O LYS A 71 -14.044 3.622 2.226 1.00 74.03 O ATOM 1115 CB LYS A 71 -13.510 1.459 4.464 1.00 14.33 C ATOM 1116 CG LYS A 71 -12.215 1.886 5.155 1.00 2.51 C ATOM 1117 CD LYS A 71 -12.291 1.700 6.669 1.00 43.44 C ATOM 1118 CE LYS A 71 -13.263 2.674 7.319 1.00 0.25 C ATOM 1119 NZ LYS A 71 -12.790 4.081 7.221 1.00 32.12 N ATOM 0 H LYS A 71 -11.897 0.006 3.285 1.00 52.33 H new ATOM 0 HA LYS A 71 -14.373 1.075 2.525 1.00 43.14 H new ATOM 0 HB2 LYS A 71 -14.305 2.149 4.748 1.00 14.33 H new ATOM 0 HB3 LYS A 71 -13.797 0.474 4.831 1.00 14.33 H new ATOM 0 HG2 LYS A 71 -11.383 1.304 4.759 1.00 2.51 H new ATOM 0 HG3 LYS A 71 -12.009 2.932 4.927 1.00 2.51 H new ATOM 0 HD2 LYS A 71 -12.598 0.679 6.893 1.00 43.44 H new ATOM 0 HD3 LYS A 71 -11.299 1.836 7.100 1.00 43.44 H new ATOM 0 HE2 LYS A 71 -14.239 2.585 6.842 1.00 0.25 H new ATOM 0 HE3 LYS A 71 -13.396 2.408 8.368 1.00 0.25 H new ATOM 0 HZ1 LYS A 71 -13.365 4.685 7.843 1.00 32.12 H new ATOM 0 HZ2 LYS A 71 -11.793 4.133 7.513 1.00 32.12 H new ATOM 0 HZ3 LYS A 71 -12.881 4.410 6.239 1.00 32.12 H new ATOM 1133 N ALA A 72 -11.878 3.080 2.048 1.00 73.03 N ATOM 1134 CA ALA A 72 -11.479 4.373 1.509 1.00 13.53 C ATOM 1135 C ALA A 72 -10.644 4.193 0.245 1.00 65.21 C ATOM 1136 O ALA A 72 -9.937 5.107 -0.179 1.00 61.33 O ATOM 1137 CB ALA A 72 -10.700 5.153 2.555 1.00 14.50 C ATOM 0 H ALA A 72 -11.112 2.415 2.152 1.00 73.03 H new ATOM 0 HA ALA A 72 -12.376 4.935 1.247 1.00 13.53 H new ATOM 0 HB1 ALA A 72 -10.405 6.119 2.144 1.00 14.50 H new ATOM 0 HB2 ALA A 72 -11.326 5.308 3.434 1.00 14.50 H new ATOM 0 HB3 ALA A 72 -9.809 4.592 2.838 1.00 14.50 H new ATOM 1143 N ARG A 73 -10.739 2.999 -0.348 1.00 50.35 N ATOM 1144 CA ARG A 73 -9.998 2.642 -1.575 1.00 11.12 C ATOM 1145 C ARG A 73 -8.486 2.671 -1.364 1.00 55.42 C ATOM 1146 O ARG A 73 -7.722 2.699 -2.324 1.00 51.12 O ATOM 1147 CB ARG A 73 -10.366 3.550 -2.756 1.00 43.04 C ATOM 1148 CG ARG A 73 -11.803 3.428 -3.230 1.00 62.53 C ATOM 1149 CD ARG A 73 -12.668 4.534 -2.660 1.00 11.14 C ATOM 1150 NE ARG A 73 -12.206 5.863 -3.081 1.00 45.41 N ATOM 1151 CZ ARG A 73 -12.777 7.008 -2.709 1.00 21.32 C ATOM 1152 NH1 ARG A 73 -13.835 6.996 -1.900 1.00 13.31 N ATOM 1153 NH2 ARG A 73 -12.293 8.164 -3.147 1.00 74.41 N ATOM 0 H ARG A 73 -11.331 2.247 0.005 1.00 50.35 H new ATOM 0 HA ARG A 73 -10.296 1.621 -1.814 1.00 11.12 H new ATOM 0 HB2 ARG A 73 -10.179 4.586 -2.472 1.00 43.04 H new ATOM 0 HB3 ARG A 73 -9.703 3.323 -3.591 1.00 43.04 H new ATOM 0 HG2 ARG A 73 -11.833 3.465 -4.319 1.00 62.53 H new ATOM 0 HG3 ARG A 73 -12.205 2.459 -2.933 1.00 62.53 H new ATOM 0 HD2 ARG A 73 -13.700 4.390 -2.981 1.00 11.14 H new ATOM 0 HD3 ARG A 73 -12.662 4.475 -1.572 1.00 11.14 H new ATOM 0 HE ARG A 73 -11.395 5.913 -3.698 1.00 45.41 H new ATOM 0 HH11 ARG A 73 -14.210 6.109 -1.564 1.00 13.31 H new ATOM 0 HH12 ARG A 73 -14.270 7.874 -1.617 1.00 13.31 H new ATOM 0 HH21 ARG A 73 -11.484 8.176 -3.768 1.00 74.41 H new ATOM 0 HH22 ARG A 73 -12.730 9.041 -2.862 1.00 74.41 H new ATOM 1167 N GLY A 74 -8.062 2.664 -0.115 1.00 14.31 N ATOM 1168 CA GLY A 74 -6.648 2.678 0.180 1.00 53.53 C ATOM 1169 C GLY A 74 -6.067 4.076 0.237 1.00 31.34 C ATOM 1170 O GLY A 74 -4.921 4.256 0.651 1.00 41.22 O ATOM 0 H GLY A 74 -8.672 2.649 0.702 1.00 14.31 H new ATOM 0 HA2 GLY A 74 -6.477 2.181 1.135 1.00 53.53 H new ATOM 0 HA3 GLY A 74 -6.119 2.102 -0.579 1.00 53.53 H new ATOM 1174 N ASP A 75 -6.848 5.067 -0.170 1.00 32.31 N ATOM 1175 CA ASP A 75 -6.380 6.449 -0.171 1.00 64.21 C ATOM 1176 C ASP A 75 -6.491 7.055 1.215 1.00 31.41 C ATOM 1177 O ASP A 75 -7.509 6.898 1.896 1.00 54.14 O ATOM 1178 CB ASP A 75 -7.156 7.293 -1.187 1.00 41.31 C ATOM 1179 CG ASP A 75 -6.593 8.698 -1.322 1.00 55.14 C ATOM 1180 OD1 ASP A 75 -5.499 8.852 -1.898 1.00 33.00 O ATOM 1181 OD2 ASP A 75 -7.246 9.653 -0.863 1.00 10.10 O ATOM 0 H ASP A 75 -7.804 4.943 -0.503 1.00 32.31 H new ATOM 0 HA ASP A 75 -5.330 6.445 -0.464 1.00 64.21 H new ATOM 0 HB2 ASP A 75 -7.132 6.800 -2.159 1.00 41.31 H new ATOM 0 HB3 ASP A 75 -8.202 7.351 -0.884 1.00 41.31 H new ATOM 1186 N LEU A 76 -5.440 7.736 1.639 1.00 11.52 N ATOM 1187 CA LEU A 76 -5.409 8.347 2.960 1.00 53.23 C ATOM 1188 C LEU A 76 -5.788 9.815 2.880 1.00 14.41 C ATOM 1189 O LEU A 76 -6.110 10.440 3.892 1.00 32.23 O ATOM 1190 CB LEU A 76 -4.014 8.226 3.604 1.00 14.12 C ATOM 1191 CG LEU A 76 -3.450 6.810 3.791 1.00 40.31 C ATOM 1192 CD1 LEU A 76 -2.890 6.269 2.487 1.00 1.42 C ATOM 1193 CD2 LEU A 76 -2.382 6.805 4.872 1.00 41.43 C ATOM 0 H LEU A 76 -4.594 7.881 1.087 1.00 11.52 H new ATOM 0 HA LEU A 76 -6.131 7.813 3.578 1.00 53.23 H new ATOM 0 HB2 LEU A 76 -3.310 8.793 2.995 1.00 14.12 H new ATOM 0 HB3 LEU A 76 -4.050 8.708 4.581 1.00 14.12 H new ATOM 0 HG LEU A 76 -4.266 6.158 4.103 1.00 40.31 H new ATOM 0 HD11 LEU A 76 -2.497 5.265 2.648 1.00 1.42 H new ATOM 0 HD12 LEU A 76 -3.681 6.233 1.738 1.00 1.42 H new ATOM 0 HD13 LEU A 76 -2.089 6.920 2.137 1.00 1.42 H new ATOM 0 HD21 LEU A 76 -1.992 5.795 4.993 1.00 41.43 H new ATOM 0 HD22 LEU A 76 -1.571 7.475 4.586 1.00 41.43 H new ATOM 0 HD23 LEU A 76 -2.816 7.142 5.814 1.00 41.43 H new ATOM 1205 N GLY A 77 -5.769 10.354 1.678 1.00 14.34 N ATOM 1206 CA GLY A 77 -6.017 11.763 1.513 1.00 35.24 C ATOM 1207 C GLY A 77 -4.753 12.551 1.767 1.00 11.13 C ATOM 1208 O GLY A 77 -3.674 11.969 1.858 1.00 73.10 O ATOM 0 H GLY A 77 -5.587 9.842 0.815 1.00 14.34 H new ATOM 0 HA2 GLY A 77 -6.380 11.960 0.504 1.00 35.24 H new ATOM 0 HA3 GLY A 77 -6.799 12.085 2.201 1.00 35.24 H new ATOM 1212 N ALA A 78 -4.867 13.858 1.873 1.00 71.44 N ATOM 1213 CA ALA A 78 -3.706 14.687 2.139 1.00 62.33 C ATOM 1214 C ALA A 78 -3.402 14.693 3.631 1.00 54.31 C ATOM 1215 O ALA A 78 -4.112 15.327 4.413 1.00 35.12 O ATOM 1216 CB ALA A 78 -3.937 16.103 1.625 1.00 71.23 C ATOM 0 H ALA A 78 -5.745 14.369 1.780 1.00 71.44 H new ATOM 0 HA ALA A 78 -2.846 14.273 1.613 1.00 62.33 H new ATOM 0 HB1 ALA A 78 -3.058 16.713 1.832 1.00 71.23 H new ATOM 0 HB2 ALA A 78 -4.115 16.075 0.550 1.00 71.23 H new ATOM 0 HB3 ALA A 78 -4.804 16.535 2.125 1.00 71.23 H new ATOM 1222 N PHE A 79 -2.349 14.000 4.022 1.00 61.40 N ATOM 1223 CA PHE A 79 -2.003 13.872 5.433 1.00 1.22 C ATOM 1224 C PHE A 79 -0.601 14.390 5.718 1.00 51.33 C ATOM 1225 O PHE A 79 0.200 14.593 4.802 1.00 40.25 O ATOM 1226 CB PHE A 79 -2.127 12.406 5.883 1.00 61.50 C ATOM 1227 CG PHE A 79 -1.165 11.459 5.198 1.00 34.40 C ATOM 1228 CD1 PHE A 79 -1.478 10.898 3.971 1.00 44.44 C ATOM 1229 CD2 PHE A 79 0.046 11.131 5.790 1.00 65.41 C ATOM 1230 CE1 PHE A 79 -0.602 10.030 3.345 1.00 53.14 C ATOM 1231 CE2 PHE A 79 0.926 10.264 5.169 1.00 71.41 C ATOM 1232 CZ PHE A 79 0.601 9.713 3.945 1.00 24.21 C ATOM 0 H PHE A 79 -1.716 13.516 3.386 1.00 61.40 H new ATOM 0 HA PHE A 79 -2.705 14.483 6.000 1.00 1.22 H new ATOM 0 HB2 PHE A 79 -1.965 12.354 6.960 1.00 61.50 H new ATOM 0 HB3 PHE A 79 -3.146 12.067 5.698 1.00 61.50 H new ATOM 0 HD1 PHE A 79 -2.418 11.141 3.497 1.00 44.44 H new ATOM 0 HD2 PHE A 79 0.305 11.558 6.748 1.00 65.41 H new ATOM 0 HE1 PHE A 79 -0.858 9.600 2.388 1.00 53.14 H new ATOM 0 HE2 PHE A 79 1.866 10.018 5.640 1.00 71.41 H new ATOM 0 HZ PHE A 79 1.286 9.035 3.458 1.00 24.21 H new ATOM 1242 N SER A 80 -0.318 14.607 6.988 1.00 71.31 N ATOM 1243 CA SER A 80 0.984 15.060 7.422 1.00 72.10 C ATOM 1244 C SER A 80 1.720 13.929 8.128 1.00 41.15 C ATOM 1245 O SER A 80 1.103 12.936 8.534 1.00 31.20 O ATOM 1246 CB SER A 80 0.838 16.257 8.358 1.00 63.20 C ATOM 1247 OG SER A 80 0.142 17.318 7.720 1.00 5.41 O ATOM 0 H SER A 80 -0.987 14.473 7.746 1.00 71.31 H new ATOM 0 HA SER A 80 1.561 15.366 6.549 1.00 72.10 H new ATOM 0 HB2 SER A 80 0.303 15.956 9.259 1.00 63.20 H new ATOM 0 HB3 SER A 80 1.824 16.600 8.672 1.00 63.20 H new ATOM 0 HG SER A 80 0.522 17.470 6.830 1.00 5.41 H new ATOM 1253 N ARG A 81 3.025 14.075 8.274 1.00 53.10 N ATOM 1254 CA ARG A 81 3.837 13.057 8.922 1.00 71.23 C ATOM 1255 C ARG A 81 3.550 12.973 10.420 1.00 43.23 C ATOM 1256 O ARG A 81 3.111 13.954 11.040 1.00 32.03 O ATOM 1257 CB ARG A 81 5.340 13.281 8.636 1.00 42.11 C ATOM 1258 CG ARG A 81 5.873 14.679 8.954 1.00 44.21 C ATOM 1259 CD ARG A 81 6.210 14.849 10.428 1.00 41.41 C ATOM 1260 NE ARG A 81 6.854 16.138 10.689 1.00 15.04 N ATOM 1261 CZ ARG A 81 7.596 16.408 11.766 1.00 30.11 C ATOM 1262 NH1 ARG A 81 7.759 15.492 12.713 1.00 71.43 N ATOM 1263 NH2 ARG A 81 8.166 17.601 11.897 1.00 65.53 N ATOM 0 H ARG A 81 3.547 14.890 7.952 1.00 53.10 H new ATOM 0 HA ARG A 81 3.561 12.093 8.495 1.00 71.23 H new ATOM 0 HB2 ARG A 81 5.913 12.554 9.211 1.00 42.11 H new ATOM 0 HB3 ARG A 81 5.526 13.072 7.583 1.00 42.11 H new ATOM 0 HG2 ARG A 81 6.764 14.870 8.356 1.00 44.21 H new ATOM 0 HG3 ARG A 81 5.130 15.423 8.666 1.00 44.21 H new ATOM 0 HD2 ARG A 81 5.299 14.770 11.021 1.00 41.41 H new ATOM 0 HD3 ARG A 81 6.869 14.041 10.747 1.00 41.41 H new ATOM 0 HE ARG A 81 6.727 16.880 10.001 1.00 15.04 H new ATOM 0 HH11 ARG A 81 7.317 14.578 12.620 1.00 71.43 H new ATOM 0 HH12 ARG A 81 8.327 15.703 13.534 1.00 71.43 H new ATOM 0 HH21 ARG A 81 8.037 18.310 11.175 1.00 65.53 H new ATOM 0 HH22 ARG A 81 8.733 17.808 12.719 1.00 65.53 H new ATOM 1277 N GLY A 82 3.786 11.805 10.987 1.00 23.11 N ATOM 1278 CA GLY A 82 3.528 11.580 12.388 1.00 63.25 C ATOM 1279 C GLY A 82 2.257 10.785 12.607 1.00 71.10 C ATOM 1280 O GLY A 82 1.617 10.898 13.658 1.00 10.11 O ATOM 0 H GLY A 82 4.158 10.995 10.491 1.00 23.11 H new ATOM 0 HA2 GLY A 82 4.370 11.048 12.832 1.00 63.25 H new ATOM 0 HA3 GLY A 82 3.450 12.538 12.901 1.00 63.25 H new ATOM 1284 N GLN A 83 1.888 9.975 11.618 1.00 71.12 N ATOM 1285 CA GLN A 83 0.663 9.187 11.693 1.00 24.14 C ATOM 1286 C GLN A 83 0.911 7.708 11.397 1.00 32.10 C ATOM 1287 O GLN A 83 0.246 6.838 11.962 1.00 13.33 O ATOM 1288 CB GLN A 83 -0.395 9.723 10.724 1.00 3.42 C ATOM 1289 CG GLN A 83 -0.853 11.142 11.013 1.00 72.00 C ATOM 1290 CD GLN A 83 -2.038 11.560 10.161 1.00 21.51 C ATOM 1291 OE1 GLN A 83 -2.129 11.020 8.958 1.00 3.12 O flip ATOM 1292 NE2 GLN A 83 -2.865 12.367 10.584 1.00 43.02 N flip ATOM 0 H GLN A 83 2.420 9.848 10.757 1.00 71.12 H new ATOM 0 HA GLN A 83 0.300 9.277 12.717 1.00 24.14 H new ATOM 0 HB2 GLN A 83 0.005 9.683 9.711 1.00 3.42 H new ATOM 0 HB3 GLN A 83 -1.262 9.062 10.751 1.00 3.42 H new ATOM 0 HG2 GLN A 83 -1.121 11.226 12.066 1.00 72.00 H new ATOM 0 HG3 GLN A 83 -0.025 11.829 10.839 1.00 72.00 H new ATOM 0 HE21 GLN A 83 -2.760 12.762 11.519 1.00 43.02 H new ATOM 0 HE22 GLN A 83 -3.655 12.641 10.000 1.00 43.02 H new ATOM 1301 N MET A 84 1.858 7.418 10.520 1.00 65.43 N ATOM 1302 CA MET A 84 2.115 6.036 10.114 1.00 54.43 C ATOM 1303 C MET A 84 3.535 5.612 10.447 1.00 61.01 C ATOM 1304 O MET A 84 4.342 6.421 10.908 1.00 74.22 O ATOM 1305 CB MET A 84 1.857 5.865 8.611 1.00 3.22 C ATOM 1306 CG MET A 84 0.403 6.052 8.207 1.00 45.22 C ATOM 1307 SD MET A 84 -0.673 4.758 8.862 1.00 24.31 S ATOM 1308 CE MET A 84 -2.284 5.367 8.361 1.00 53.35 C ATOM 0 H MET A 84 2.460 8.111 10.076 1.00 65.43 H new ATOM 0 HA MET A 84 1.432 5.396 10.672 1.00 54.43 H new ATOM 0 HB2 MET A 84 2.470 6.581 8.064 1.00 3.22 H new ATOM 0 HB3 MET A 84 2.182 4.870 8.308 1.00 3.22 H new ATOM 0 HG2 MET A 84 0.054 7.022 8.560 1.00 45.22 H new ATOM 0 HG3 MET A 84 0.331 6.063 7.119 1.00 45.22 H new ATOM 0 HE1 MET A 84 -3.062 4.798 8.869 1.00 53.35 H new ATOM 0 HE2 MET A 84 -2.373 6.421 8.626 1.00 53.35 H new ATOM 0 HE3 MET A 84 -2.397 5.253 7.283 1.00 53.35 H new ATOM 1318 N GLN A 85 3.830 4.329 10.230 1.00 1.52 N ATOM 1319 CA GLN A 85 5.162 3.793 10.468 1.00 53.35 C ATOM 1320 C GLN A 85 6.181 4.517 9.605 1.00 4.41 C ATOM 1321 O GLN A 85 5.935 4.755 8.427 1.00 15.33 O ATOM 1322 CB GLN A 85 5.219 2.283 10.187 1.00 23.54 C ATOM 1323 CG GLN A 85 4.401 1.430 11.150 1.00 51.42 C ATOM 1324 CD GLN A 85 2.974 1.202 10.688 1.00 54.35 C ATOM 1325 OE1 GLN A 85 2.384 2.033 9.997 1.00 74.44 O ATOM 1326 NE2 GLN A 85 2.421 0.062 11.049 1.00 20.44 N ATOM 0 H GLN A 85 3.157 3.643 9.888 1.00 1.52 H new ATOM 0 HA GLN A 85 5.400 3.951 11.520 1.00 53.35 H new ATOM 0 HB2 GLN A 85 4.867 2.102 9.172 1.00 23.54 H new ATOM 0 HB3 GLN A 85 6.259 1.958 10.227 1.00 23.54 H new ATOM 0 HG2 GLN A 85 4.893 0.465 11.277 1.00 51.42 H new ATOM 0 HG3 GLN A 85 4.386 1.912 12.128 1.00 51.42 H new ATOM 0 HE21 GLN A 85 2.944 -0.600 11.622 1.00 20.44 H new ATOM 0 HE22 GLN A 85 1.470 -0.159 10.755 1.00 20.44 H new ATOM 1335 N LYS A 86 7.320 4.846 10.196 1.00 34.02 N ATOM 1336 CA LYS A 86 8.376 5.606 9.523 1.00 2.21 C ATOM 1337 C LYS A 86 8.714 5.063 8.109 1.00 42.34 C ATOM 1338 O LYS A 86 8.679 5.823 7.146 1.00 24.31 O ATOM 1339 CB LYS A 86 9.637 5.672 10.398 1.00 21.34 C ATOM 1340 CG LYS A 86 10.710 6.611 9.868 1.00 14.04 C ATOM 1341 CD LYS A 86 10.227 8.057 9.857 1.00 62.12 C ATOM 1342 CE LYS A 86 11.324 9.007 9.404 1.00 54.12 C ATOM 1343 NZ LYS A 86 12.486 8.992 10.327 1.00 71.11 N ATOM 0 H LYS A 86 7.544 4.595 11.159 1.00 34.02 H new ATOM 0 HA LYS A 86 7.988 6.614 9.379 1.00 2.21 H new ATOM 0 HB2 LYS A 86 9.354 5.990 11.402 1.00 21.34 H new ATOM 0 HB3 LYS A 86 10.057 4.670 10.488 1.00 21.34 H new ATOM 0 HG2 LYS A 86 11.605 6.529 10.485 1.00 14.04 H new ATOM 0 HG3 LYS A 86 10.991 6.312 8.858 1.00 14.04 H new ATOM 0 HD2 LYS A 86 9.367 8.150 9.194 1.00 62.12 H new ATOM 0 HD3 LYS A 86 9.891 8.337 10.855 1.00 62.12 H new ATOM 0 HE2 LYS A 86 11.653 8.730 8.402 1.00 54.12 H new ATOM 0 HE3 LYS A 86 10.924 10.019 9.340 1.00 54.12 H new ATOM 0 HZ1 LYS A 86 13.081 9.826 10.149 1.00 71.11 H new ATOM 0 HZ2 LYS A 86 12.148 9.011 11.310 1.00 71.11 H new ATOM 0 HZ3 LYS A 86 13.044 8.128 10.169 1.00 71.11 H new ATOM 1357 N PRO A 87 9.035 3.740 7.958 1.00 11.22 N ATOM 1358 CA PRO A 87 9.379 3.148 6.644 1.00 73.13 C ATOM 1359 C PRO A 87 8.280 3.336 5.591 1.00 44.30 C ATOM 1360 O PRO A 87 8.553 3.368 4.391 1.00 3.13 O ATOM 1361 CB PRO A 87 9.569 1.653 6.957 1.00 12.44 C ATOM 1362 CG PRO A 87 8.928 1.447 8.289 1.00 33.34 C ATOM 1363 CD PRO A 87 9.111 2.732 9.029 1.00 71.40 C ATOM 0 HA PRO A 87 10.259 3.627 6.214 1.00 73.13 H new ATOM 0 HB2 PRO A 87 9.102 1.029 6.195 1.00 12.44 H new ATOM 0 HB3 PRO A 87 10.626 1.388 6.983 1.00 12.44 H new ATOM 0 HG2 PRO A 87 7.871 1.204 8.181 1.00 33.34 H new ATOM 0 HG3 PRO A 87 9.393 0.618 8.823 1.00 33.34 H new ATOM 0 HD2 PRO A 87 8.335 2.880 9.780 1.00 71.40 H new ATOM 0 HD3 PRO A 87 10.068 2.766 9.549 1.00 71.40 H new ATOM 1371 N PHE A 88 7.051 3.464 6.047 1.00 32.31 N ATOM 1372 CA PHE A 88 5.911 3.635 5.160 1.00 12.45 C ATOM 1373 C PHE A 88 5.637 5.120 4.930 1.00 54.45 C ATOM 1374 O PHE A 88 5.453 5.571 3.800 1.00 70.22 O ATOM 1375 CB PHE A 88 4.677 2.952 5.782 1.00 25.44 C ATOM 1376 CG PHE A 88 3.394 3.143 5.018 1.00 73.02 C ATOM 1377 CD1 PHE A 88 2.559 4.217 5.292 1.00 21.55 C ATOM 1378 CD2 PHE A 88 3.015 2.244 4.037 1.00 2.11 C ATOM 1379 CE1 PHE A 88 1.380 4.390 4.601 1.00 32.00 C ATOM 1380 CE2 PHE A 88 1.834 2.411 3.344 1.00 44.42 C ATOM 1381 CZ PHE A 88 1.015 3.487 3.626 1.00 72.12 C ATOM 0 H PHE A 88 6.811 3.453 7.038 1.00 32.31 H new ATOM 0 HA PHE A 88 6.130 3.175 4.196 1.00 12.45 H new ATOM 0 HB2 PHE A 88 4.876 1.884 5.868 1.00 25.44 H new ATOM 0 HB3 PHE A 88 4.540 3.333 6.794 1.00 25.44 H new ATOM 0 HD1 PHE A 88 2.837 4.927 6.057 1.00 21.55 H new ATOM 0 HD2 PHE A 88 3.652 1.401 3.811 1.00 2.11 H new ATOM 0 HE1 PHE A 88 0.742 5.233 4.823 1.00 32.00 H new ATOM 0 HE2 PHE A 88 1.550 1.701 2.581 1.00 44.42 H new ATOM 0 HZ PHE A 88 0.091 3.620 3.084 1.00 72.12 H new ATOM 1391 N GLU A 89 5.637 5.862 6.013 1.00 45.12 N ATOM 1392 CA GLU A 89 5.329 7.275 5.999 1.00 54.51 C ATOM 1393 C GLU A 89 6.391 8.080 5.250 1.00 41.14 C ATOM 1394 O GLU A 89 6.078 8.797 4.303 1.00 34.35 O ATOM 1395 CB GLU A 89 5.204 7.767 7.430 1.00 44.12 C ATOM 1396 CG GLU A 89 4.748 9.196 7.561 1.00 23.21 C ATOM 1397 CD GLU A 89 4.610 9.603 8.998 1.00 62.45 C ATOM 1398 OE1 GLU A 89 3.521 9.393 9.575 1.00 41.21 O ATOM 1399 OE2 GLU A 89 5.586 10.137 9.564 1.00 62.12 O ATOM 0 H GLU A 89 5.854 5.498 6.941 1.00 45.12 H new ATOM 0 HA GLU A 89 4.386 7.419 5.471 1.00 54.51 H new ATOM 0 HB2 GLU A 89 4.502 7.125 7.962 1.00 44.12 H new ATOM 0 HB3 GLU A 89 6.170 7.660 7.923 1.00 44.12 H new ATOM 0 HG2 GLU A 89 5.461 9.853 7.063 1.00 23.21 H new ATOM 0 HG3 GLU A 89 3.791 9.321 7.054 1.00 23.21 H new ATOM 1406 N ASP A 90 7.644 7.936 5.663 1.00 61.41 N ATOM 1407 CA ASP A 90 8.750 8.692 5.062 1.00 55.10 C ATOM 1408 C ASP A 90 8.851 8.428 3.566 1.00 44.04 C ATOM 1409 O ASP A 90 9.197 9.323 2.787 1.00 21.23 O ATOM 1410 CB ASP A 90 10.075 8.344 5.750 1.00 0.51 C ATOM 1411 CG ASP A 90 11.257 9.086 5.158 1.00 12.33 C ATOM 1412 OD1 ASP A 90 11.344 10.317 5.337 1.00 14.51 O ATOM 1413 OD2 ASP A 90 12.114 8.443 4.525 1.00 44.53 O ATOM 0 H ASP A 90 7.926 7.304 6.412 1.00 61.41 H new ATOM 0 HA ASP A 90 8.544 9.753 5.206 1.00 55.10 H new ATOM 0 HB2 ASP A 90 10.000 8.578 6.812 1.00 0.51 H new ATOM 0 HB3 ASP A 90 10.249 7.271 5.671 1.00 0.51 H new ATOM 1418 N ALA A 91 8.517 7.210 3.168 1.00 71.12 N ATOM 1419 CA ALA A 91 8.575 6.813 1.774 1.00 64.00 C ATOM 1420 C ALA A 91 7.647 7.667 0.909 1.00 30.41 C ATOM 1421 O ALA A 91 8.055 8.158 -0.136 1.00 52.23 O ATOM 1422 CB ALA A 91 8.230 5.339 1.627 1.00 31.02 C ATOM 0 H ALA A 91 8.200 6.474 3.800 1.00 71.12 H new ATOM 0 HA ALA A 91 9.595 6.973 1.425 1.00 64.00 H new ATOM 0 HB1 ALA A 91 8.278 5.057 0.575 1.00 31.02 H new ATOM 0 HB2 ALA A 91 8.941 4.740 2.196 1.00 31.02 H new ATOM 0 HB3 ALA A 91 7.223 5.162 2.004 1.00 31.02 H new ATOM 1428 N SER A 92 6.409 7.859 1.367 1.00 72.55 N ATOM 1429 CA SER A 92 5.419 8.621 0.604 1.00 5.53 C ATOM 1430 C SER A 92 5.874 10.069 0.369 1.00 71.04 C ATOM 1431 O SER A 92 5.711 10.618 -0.730 1.00 54.22 O ATOM 1432 CB SER A 92 4.050 8.588 1.306 1.00 51.01 C ATOM 1433 OG SER A 92 4.100 9.187 2.590 1.00 22.54 O ATOM 0 H SER A 92 6.069 7.499 2.259 1.00 72.55 H new ATOM 0 HA SER A 92 5.321 8.146 -0.372 1.00 5.53 H new ATOM 0 HB2 SER A 92 3.314 9.107 0.692 1.00 51.01 H new ATOM 0 HB3 SER A 92 3.715 7.555 1.400 1.00 51.01 H new ATOM 0 HG SER A 92 4.772 8.731 3.138 1.00 22.54 H new ATOM 1439 N PHE A 93 6.470 10.674 1.390 1.00 44.10 N ATOM 1440 CA PHE A 93 6.944 12.051 1.298 1.00 14.15 C ATOM 1441 C PHE A 93 8.162 12.159 0.386 1.00 74.05 C ATOM 1442 O PHE A 93 8.444 13.225 -0.167 1.00 11.33 O ATOM 1443 CB PHE A 93 7.275 12.604 2.685 1.00 52.23 C ATOM 1444 CG PHE A 93 6.071 12.849 3.552 1.00 32.43 C ATOM 1445 CD1 PHE A 93 5.576 11.853 4.375 1.00 41.32 C ATOM 1446 CD2 PHE A 93 5.439 14.080 3.546 1.00 13.21 C ATOM 1447 CE1 PHE A 93 4.472 12.078 5.173 1.00 63.03 C ATOM 1448 CE2 PHE A 93 4.335 14.312 4.342 1.00 23.45 C ATOM 1449 CZ PHE A 93 3.851 13.310 5.157 1.00 71.11 C ATOM 0 H PHE A 93 6.637 10.232 2.294 1.00 44.10 H new ATOM 0 HA PHE A 93 6.140 12.646 0.865 1.00 14.15 H new ATOM 0 HB2 PHE A 93 7.940 11.906 3.194 1.00 52.23 H new ATOM 0 HB3 PHE A 93 7.823 13.539 2.570 1.00 52.23 H new ATOM 0 HD1 PHE A 93 6.059 10.887 4.393 1.00 41.32 H new ATOM 0 HD2 PHE A 93 5.814 14.869 2.911 1.00 13.21 H new ATOM 0 HE1 PHE A 93 4.095 11.291 5.809 1.00 63.03 H new ATOM 0 HE2 PHE A 93 3.851 15.277 4.327 1.00 23.45 H new ATOM 0 HZ PHE A 93 2.988 13.489 5.781 1.00 71.11 H new ATOM 1459 N ALA A 94 8.870 11.053 0.216 1.00 41.50 N ATOM 1460 CA ALA A 94 10.064 11.025 -0.615 1.00 1.44 C ATOM 1461 C ALA A 94 9.728 10.690 -2.066 1.00 1.20 C ATOM 1462 O ALA A 94 10.600 10.726 -2.939 1.00 70.22 O ATOM 1463 CB ALA A 94 11.065 10.027 -0.063 1.00 65.15 C ATOM 0 H ALA A 94 8.636 10.158 0.645 1.00 41.50 H new ATOM 0 HA ALA A 94 10.506 12.021 -0.597 1.00 1.44 H new ATOM 0 HB1 ALA A 94 11.954 10.016 -0.694 1.00 65.15 H new ATOM 0 HB2 ALA A 94 11.344 10.314 0.951 1.00 65.15 H new ATOM 0 HB3 ALA A 94 10.618 9.033 -0.049 1.00 65.15 H new ATOM 1469 N LEU A 95 8.472 10.356 -2.319 1.00 10.33 N ATOM 1470 CA LEU A 95 8.028 10.021 -3.669 1.00 50.02 C ATOM 1471 C LEU A 95 7.724 11.280 -4.461 1.00 32.40 C ATOM 1472 O LEU A 95 7.770 12.388 -3.929 1.00 53.22 O ATOM 1473 CB LEU A 95 6.777 9.138 -3.626 1.00 2.21 C ATOM 1474 CG LEU A 95 6.918 7.810 -2.895 1.00 10.00 C ATOM 1475 CD1 LEU A 95 5.599 7.056 -2.916 1.00 32.31 C ATOM 1476 CD2 LEU A 95 8.028 6.972 -3.515 1.00 73.50 C ATOM 0 H LEU A 95 7.740 10.309 -1.610 1.00 10.33 H new ATOM 0 HA LEU A 95 8.835 9.475 -4.157 1.00 50.02 H new ATOM 0 HB2 LEU A 95 5.973 9.705 -3.156 1.00 2.21 H new ATOM 0 HB3 LEU A 95 6.466 8.934 -4.651 1.00 2.21 H new ATOM 0 HG LEU A 95 7.185 8.011 -1.857 1.00 10.00 H new ATOM 0 HD11 LEU A 95 5.713 6.108 -2.390 1.00 32.31 H new ATOM 0 HD12 LEU A 95 4.831 7.653 -2.425 1.00 32.31 H new ATOM 0 HD13 LEU A 95 5.305 6.865 -3.948 1.00 32.31 H new ATOM 0 HD21 LEU A 95 8.113 6.027 -2.979 1.00 73.50 H new ATOM 0 HD22 LEU A 95 7.794 6.776 -4.561 1.00 73.50 H new ATOM 0 HD23 LEU A 95 8.972 7.513 -3.449 1.00 73.50 H new ATOM 1488 N ARG A 96 7.420 11.110 -5.729 1.00 14.21 N ATOM 1489 CA ARG A 96 7.062 12.225 -6.576 1.00 74.30 C ATOM 1490 C ARG A 96 5.566 12.231 -6.820 1.00 20.20 C ATOM 1491 O ARG A 96 4.918 11.182 -6.771 1.00 61.31 O ATOM 1492 CB ARG A 96 7.813 12.167 -7.907 1.00 13.21 C ATOM 1493 CG ARG A 96 9.322 12.206 -7.755 1.00 5.30 C ATOM 1494 CD ARG A 96 10.012 12.273 -9.101 1.00 51.15 C ATOM 1495 NE ARG A 96 11.465 12.164 -8.970 1.00 54.15 N ATOM 1496 CZ ARG A 96 12.332 12.460 -9.939 1.00 73.50 C ATOM 1497 NH1 ARG A 96 11.898 12.921 -11.106 1.00 70.03 N ATOM 1498 NH2 ARG A 96 13.632 12.294 -9.736 1.00 23.43 N ATOM 0 H ARG A 96 7.414 10.204 -6.198 1.00 14.21 H new ATOM 0 HA ARG A 96 7.346 13.146 -6.067 1.00 74.30 H new ATOM 0 HB2 ARG A 96 7.533 11.255 -8.433 1.00 13.21 H new ATOM 0 HB3 ARG A 96 7.497 13.004 -8.530 1.00 13.21 H new ATOM 0 HG2 ARG A 96 9.606 13.071 -7.155 1.00 5.30 H new ATOM 0 HG3 ARG A 96 9.658 11.320 -7.216 1.00 5.30 H new ATOM 0 HD2 ARG A 96 9.643 11.470 -9.740 1.00 51.15 H new ATOM 0 HD3 ARG A 96 9.760 13.213 -9.593 1.00 51.15 H new ATOM 0 HE ARG A 96 11.840 11.840 -8.078 1.00 54.15 H new ATOM 0 HH11 ARG A 96 10.899 13.050 -11.264 1.00 70.03 H new ATOM 0 HH12 ARG A 96 12.564 13.146 -11.845 1.00 70.03 H new ATOM 0 HH21 ARG A 96 13.967 11.940 -8.840 1.00 23.43 H new ATOM 0 HH22 ARG A 96 14.297 12.520 -10.476 1.00 23.43 H new ATOM 1512 N THR A 97 5.023 13.400 -7.060 1.00 12.54 N ATOM 1513 CA THR A 97 3.611 13.552 -7.320 1.00 44.52 C ATOM 1514 C THR A 97 3.219 12.838 -8.615 1.00 13.44 C ATOM 1515 O THR A 97 3.639 13.226 -9.704 1.00 50.03 O ATOM 1516 CB THR A 97 3.239 15.043 -7.404 1.00 63.05 C ATOM 1517 OG1 THR A 97 3.588 15.691 -6.170 1.00 5.42 O ATOM 1518 CG2 THR A 97 1.756 15.221 -7.665 1.00 10.24 C ATOM 0 H THR A 97 5.548 14.274 -7.081 1.00 12.54 H new ATOM 0 HA THR A 97 3.062 13.098 -6.495 1.00 44.52 H new ATOM 0 HB THR A 97 3.790 15.490 -8.232 1.00 63.05 H new ATOM 0 HG1 THR A 97 2.977 15.397 -5.462 1.00 5.42 H new ATOM 0 HG21 THR A 97 1.521 16.284 -7.720 1.00 10.24 H new ATOM 0 HG22 THR A 97 1.493 14.742 -8.608 1.00 10.24 H new ATOM 0 HG23 THR A 97 1.187 14.765 -6.855 1.00 10.24 H new ATOM 1526 N GLY A 98 2.439 11.780 -8.481 1.00 41.25 N ATOM 1527 CA GLY A 98 2.014 11.025 -9.632 1.00 64.11 C ATOM 1528 C GLY A 98 2.859 9.791 -9.848 1.00 14.33 C ATOM 1529 O GLY A 98 2.822 9.187 -10.919 1.00 52.11 O ATOM 0 H GLY A 98 2.092 11.430 -7.588 1.00 41.25 H new ATOM 0 HA2 GLY A 98 0.971 10.732 -9.508 1.00 64.11 H new ATOM 0 HA3 GLY A 98 2.064 11.658 -10.518 1.00 64.11 H new ATOM 1533 N GLU A 99 3.618 9.405 -8.838 1.00 13.21 N ATOM 1534 CA GLU A 99 4.478 8.241 -8.946 1.00 43.14 C ATOM 1535 C GLU A 99 4.206 7.251 -7.809 1.00 10.33 C ATOM 1536 O GLU A 99 3.725 7.630 -6.735 1.00 73.33 O ATOM 1537 CB GLU A 99 5.954 8.665 -8.963 1.00 60.14 C ATOM 1538 CG GLU A 99 6.927 7.524 -9.229 1.00 30.25 C ATOM 1539 CD GLU A 99 6.636 6.790 -10.524 1.00 53.20 C ATOM 1540 OE1 GLU A 99 7.179 7.190 -11.579 1.00 43.50 O ATOM 1541 OE2 GLU A 99 5.862 5.811 -10.496 1.00 34.41 O ATOM 0 H GLU A 99 3.656 9.879 -7.936 1.00 13.21 H new ATOM 0 HA GLU A 99 4.255 7.737 -9.886 1.00 43.14 H new ATOM 0 HB2 GLU A 99 6.092 9.431 -9.726 1.00 60.14 H new ATOM 0 HB3 GLU A 99 6.200 9.122 -8.005 1.00 60.14 H new ATOM 0 HG2 GLU A 99 7.942 7.919 -9.261 1.00 30.25 H new ATOM 0 HG3 GLU A 99 6.886 6.818 -8.400 1.00 30.25 H new ATOM 1548 N MET A 100 4.511 5.991 -8.062 1.00 50.43 N ATOM 1549 CA MET A 100 4.293 4.927 -7.100 1.00 73.44 C ATOM 1550 C MET A 100 5.631 4.414 -6.564 1.00 2.42 C ATOM 1551 O MET A 100 6.656 4.506 -7.245 1.00 33.43 O ATOM 1552 CB MET A 100 3.521 3.787 -7.768 1.00 52.33 C ATOM 1553 CG MET A 100 3.146 2.650 -6.834 1.00 13.12 C ATOM 1554 SD MET A 100 2.393 1.265 -7.699 1.00 72.10 S ATOM 1555 CE MET A 100 3.756 0.722 -8.725 1.00 71.23 C ATOM 0 H MET A 100 4.918 5.676 -8.943 1.00 50.43 H new ATOM 0 HA MET A 100 3.712 5.314 -6.263 1.00 73.44 H new ATOM 0 HB2 MET A 100 2.611 4.192 -8.211 1.00 52.33 H new ATOM 0 HB3 MET A 100 4.122 3.387 -8.584 1.00 52.33 H new ATOM 0 HG2 MET A 100 4.038 2.305 -6.311 1.00 13.12 H new ATOM 0 HG3 MET A 100 2.455 3.020 -6.077 1.00 13.12 H new ATOM 0 HE1 MET A 100 3.567 -0.294 -9.073 1.00 71.23 H new ATOM 0 HE2 MET A 100 3.853 1.387 -9.583 1.00 71.23 H new ATOM 0 HE3 MET A 100 4.678 0.741 -8.145 1.00 71.23 H new ATOM 1565 N SER A 101 5.622 3.890 -5.354 1.00 63.44 N ATOM 1566 CA SER A 101 6.818 3.345 -4.744 1.00 23.40 C ATOM 1567 C SER A 101 6.920 1.849 -5.011 1.00 55.14 C ATOM 1568 O SER A 101 6.075 1.266 -5.698 1.00 50.45 O ATOM 1569 CB SER A 101 6.789 3.589 -3.236 1.00 64.01 C ATOM 1570 OG SER A 101 5.680 2.933 -2.636 1.00 62.35 O ATOM 0 H SER A 101 4.789 3.830 -4.768 1.00 63.44 H new ATOM 0 HA SER A 101 7.685 3.843 -5.179 1.00 23.40 H new ATOM 0 HB2 SER A 101 7.715 3.229 -2.788 1.00 64.01 H new ATOM 0 HB3 SER A 101 6.734 4.659 -3.038 1.00 64.01 H new ATOM 0 HG SER A 101 5.777 2.952 -1.661 1.00 62.35 H new ATOM 1576 N GLY A 102 7.960 1.237 -4.481 1.00 71.24 N ATOM 1577 CA GLY A 102 8.111 -0.186 -4.590 1.00 3.01 C ATOM 1578 C GLY A 102 7.542 -0.873 -3.368 1.00 24.22 C ATOM 1579 O GLY A 102 7.000 -0.196 -2.481 1.00 32.51 O ATOM 0 H GLY A 102 8.708 1.709 -3.973 1.00 71.24 H new ATOM 0 HA2 GLY A 102 7.603 -0.544 -5.486 1.00 3.01 H new ATOM 0 HA3 GLY A 102 9.166 -0.439 -4.699 1.00 3.01 H new ATOM 1583 N PRO A 103 7.647 -2.204 -3.279 1.00 14.12 N ATOM 1584 CA PRO A 103 7.135 -2.963 -2.134 1.00 14.14 C ATOM 1585 C PRO A 103 7.768 -2.511 -0.816 1.00 12.41 C ATOM 1586 O PRO A 103 8.964 -2.696 -0.594 1.00 11.21 O ATOM 1587 CB PRO A 103 7.543 -4.416 -2.447 1.00 62.12 C ATOM 1588 CG PRO A 103 8.596 -4.308 -3.498 1.00 54.04 C ATOM 1589 CD PRO A 103 8.269 -3.075 -4.282 1.00 31.30 C ATOM 0 HA PRO A 103 6.061 -2.828 -2.006 1.00 14.14 H new ATOM 0 HB2 PRO A 103 7.924 -4.918 -1.558 1.00 62.12 H new ATOM 0 HB3 PRO A 103 6.691 -4.997 -2.801 1.00 62.12 H new ATOM 0 HG2 PRO A 103 9.588 -4.235 -3.051 1.00 54.04 H new ATOM 0 HG3 PRO A 103 8.599 -5.189 -4.139 1.00 54.04 H new ATOM 0 HD2 PRO A 103 9.162 -2.622 -4.713 1.00 31.30 H new ATOM 0 HD3 PRO A 103 7.590 -3.289 -5.108 1.00 31.30 H new ATOM 1597 N VAL A 104 6.973 -1.888 0.037 1.00 52.33 N ATOM 1598 CA VAL A 104 7.456 -1.450 1.332 1.00 74.44 C ATOM 1599 C VAL A 104 7.023 -2.447 2.407 1.00 20.45 C ATOM 1600 O VAL A 104 5.865 -2.882 2.440 1.00 11.23 O ATOM 1601 CB VAL A 104 6.977 -0.006 1.682 1.00 11.14 C ATOM 1602 CG1 VAL A 104 5.477 0.059 1.891 1.00 41.34 C ATOM 1603 CG2 VAL A 104 7.718 0.529 2.898 1.00 41.14 C ATOM 0 H VAL A 104 5.992 -1.675 -0.145 1.00 52.33 H new ATOM 0 HA VAL A 104 8.545 -1.415 1.292 1.00 74.44 H new ATOM 0 HB VAL A 104 7.211 0.629 0.828 1.00 11.14 H new ATOM 0 HG11 VAL A 104 5.187 1.082 2.132 1.00 41.34 H new ATOM 0 HG12 VAL A 104 4.969 -0.257 0.980 1.00 41.34 H new ATOM 0 HG13 VAL A 104 5.195 -0.601 2.711 1.00 41.34 H new ATOM 0 HG21 VAL A 104 7.368 1.536 3.123 1.00 41.14 H new ATOM 0 HG22 VAL A 104 7.530 -0.120 3.753 1.00 41.14 H new ATOM 0 HG23 VAL A 104 8.788 0.555 2.690 1.00 41.14 H new ATOM 1613 N PHE A 105 7.948 -2.825 3.259 1.00 75.22 N ATOM 1614 CA PHE A 105 7.681 -3.830 4.269 1.00 0.30 C ATOM 1615 C PHE A 105 7.634 -3.222 5.661 1.00 52.11 C ATOM 1616 O PHE A 105 8.595 -2.591 6.113 1.00 11.10 O ATOM 1617 CB PHE A 105 8.752 -4.925 4.216 1.00 3.04 C ATOM 1618 CG PHE A 105 8.901 -5.561 2.862 1.00 32.13 C ATOM 1619 CD1 PHE A 105 9.759 -5.019 1.918 1.00 41.13 C ATOM 1620 CD2 PHE A 105 8.183 -6.691 2.532 1.00 1.25 C ATOM 1621 CE1 PHE A 105 9.896 -5.596 0.674 1.00 75.50 C ATOM 1622 CE2 PHE A 105 8.316 -7.273 1.287 1.00 75.11 C ATOM 1623 CZ PHE A 105 9.173 -6.724 0.358 1.00 31.14 C ATOM 0 H PHE A 105 8.897 -2.451 3.275 1.00 75.22 H new ATOM 0 HA PHE A 105 6.704 -4.264 4.057 1.00 0.30 H new ATOM 0 HB2 PHE A 105 9.710 -4.499 4.514 1.00 3.04 H new ATOM 0 HB3 PHE A 105 8.506 -5.697 4.945 1.00 3.04 H new ATOM 0 HD1 PHE A 105 10.327 -4.133 2.160 1.00 41.13 H new ATOM 0 HD2 PHE A 105 7.509 -7.126 3.255 1.00 1.25 H new ATOM 0 HE1 PHE A 105 10.569 -5.164 -0.052 1.00 75.50 H new ATOM 0 HE2 PHE A 105 7.748 -8.158 1.041 1.00 75.11 H new ATOM 0 HZ PHE A 105 9.277 -7.178 -0.616 1.00 31.14 H new ATOM 1633 N THR A 106 6.511 -3.402 6.334 1.00 50.12 N ATOM 1634 CA THR A 106 6.353 -2.928 7.696 1.00 73.24 C ATOM 1635 C THR A 106 5.796 -4.049 8.566 1.00 71.15 C ATOM 1636 O THR A 106 5.731 -5.204 8.134 1.00 22.45 O ATOM 1637 CB THR A 106 5.417 -1.690 7.786 1.00 33.12 C ATOM 1638 OG1 THR A 106 4.084 -2.033 7.390 1.00 12.12 O ATOM 1639 CG2 THR A 106 5.926 -0.554 6.911 1.00 24.42 C ATOM 0 H THR A 106 5.691 -3.876 5.956 1.00 50.12 H new ATOM 0 HA THR A 106 7.337 -2.623 8.052 1.00 73.24 H new ATOM 0 HB THR A 106 5.410 -1.360 8.825 1.00 33.12 H new ATOM 0 HG1 THR A 106 3.860 -1.568 6.557 1.00 12.12 H new ATOM 0 HG21 THR A 106 5.252 0.299 6.993 1.00 24.42 H new ATOM 0 HG22 THR A 106 6.923 -0.261 7.239 1.00 24.42 H new ATOM 0 HG23 THR A 106 5.968 -0.885 5.873 1.00 24.42 H new ATOM 1647 N ASP A 107 5.385 -3.710 9.776 1.00 75.13 N ATOM 1648 CA ASP A 107 4.839 -4.692 10.714 1.00 24.40 C ATOM 1649 C ASP A 107 3.435 -5.141 10.311 1.00 44.14 C ATOM 1650 O ASP A 107 2.906 -6.106 10.857 1.00 25.11 O ATOM 1651 CB ASP A 107 4.808 -4.117 12.135 1.00 41.22 C ATOM 1652 CG ASP A 107 3.906 -2.898 12.265 1.00 13.21 C ATOM 1653 OD1 ASP A 107 4.388 -1.769 12.020 1.00 25.55 O ATOM 1654 OD2 ASP A 107 2.720 -3.059 12.632 1.00 52.11 O ATOM 0 H ASP A 107 5.417 -2.757 10.139 1.00 75.13 H new ATOM 0 HA ASP A 107 5.494 -5.563 10.688 1.00 24.40 H new ATOM 0 HB2 ASP A 107 4.468 -4.889 12.826 1.00 41.22 H new ATOM 0 HB3 ASP A 107 5.821 -3.846 12.433 1.00 41.22 H new ATOM 1659 N SER A 108 2.842 -4.451 9.354 1.00 20.10 N ATOM 1660 CA SER A 108 1.493 -4.772 8.922 1.00 54.14 C ATOM 1661 C SER A 108 1.505 -5.604 7.631 1.00 64.11 C ATOM 1662 O SER A 108 0.454 -6.017 7.132 1.00 41.43 O ATOM 1663 CB SER A 108 0.684 -3.482 8.728 1.00 44.54 C ATOM 1664 OG SER A 108 -0.684 -3.753 8.471 1.00 10.33 O ATOM 0 H SER A 108 3.271 -3.667 8.862 1.00 20.10 H new ATOM 0 HA SER A 108 1.019 -5.374 9.697 1.00 54.14 H new ATOM 0 HB2 SER A 108 0.770 -2.861 9.620 1.00 44.54 H new ATOM 0 HB3 SER A 108 1.103 -2.911 7.900 1.00 44.54 H new ATOM 0 HG SER A 108 -1.168 -2.909 8.354 1.00 10.33 H new ATOM 1670 N GLY A 109 2.689 -5.856 7.098 1.00 11.21 N ATOM 1671 CA GLY A 109 2.792 -6.629 5.880 1.00 71.33 C ATOM 1672 C GLY A 109 3.477 -5.865 4.773 1.00 4.10 C ATOM 1673 O GLY A 109 4.261 -4.947 5.040 1.00 52.01 O ATOM 0 H GLY A 109 3.578 -5.540 7.485 1.00 11.21 H new ATOM 0 HA2 GLY A 109 3.344 -7.547 6.081 1.00 71.33 H new ATOM 0 HA3 GLY A 109 1.794 -6.922 5.553 1.00 71.33 H new ATOM 1677 N ILE A 110 3.181 -6.229 3.536 1.00 71.10 N ATOM 1678 CA ILE A 110 3.776 -5.575 2.382 1.00 72.42 C ATOM 1679 C ILE A 110 2.807 -4.545 1.828 1.00 50.32 C ATOM 1680 O ILE A 110 1.623 -4.837 1.640 1.00 23.24 O ATOM 1681 CB ILE A 110 4.126 -6.589 1.270 1.00 1.03 C ATOM 1682 CG1 ILE A 110 4.798 -7.831 1.870 1.00 24.14 C ATOM 1683 CG2 ILE A 110 5.041 -5.937 0.238 1.00 74.05 C ATOM 1684 CD1 ILE A 110 5.104 -8.915 0.857 1.00 22.50 C ATOM 0 H ILE A 110 2.529 -6.978 3.305 1.00 71.10 H new ATOM 0 HA ILE A 110 4.698 -5.094 2.709 1.00 72.42 H new ATOM 0 HB ILE A 110 3.205 -6.900 0.777 1.00 1.03 H new ATOM 0 HG12 ILE A 110 5.726 -7.530 2.357 1.00 24.14 H new ATOM 0 HG13 ILE A 110 4.151 -8.243 2.644 1.00 24.14 H new ATOM 0 HG21 ILE A 110 5.282 -6.659 -0.542 1.00 74.05 H new ATOM 0 HG22 ILE A 110 4.536 -5.079 -0.206 1.00 74.05 H new ATOM 0 HG23 ILE A 110 5.959 -5.606 0.723 1.00 74.05 H new ATOM 0 HD11 ILE A 110 5.578 -9.759 1.359 1.00 22.50 H new ATOM 0 HD12 ILE A 110 4.178 -9.246 0.387 1.00 22.50 H new ATOM 0 HD13 ILE A 110 5.777 -8.522 0.095 1.00 22.50 H new ATOM 1696 N HIS A 111 3.290 -3.340 1.583 1.00 11.24 N ATOM 1697 CA HIS A 111 2.429 -2.271 1.109 1.00 34.12 C ATOM 1698 C HIS A 111 2.960 -1.666 -0.177 1.00 11.44 C ATOM 1699 O HIS A 111 4.138 -1.818 -0.521 1.00 75.51 O ATOM 1700 CB HIS A 111 2.302 -1.141 2.153 1.00 51.41 C ATOM 1701 CG HIS A 111 2.017 -1.580 3.555 1.00 31.30 C ATOM 1702 ND1 HIS A 111 0.866 -1.251 4.229 1.00 62.21 N ATOM 1703 CD2 HIS A 111 2.768 -2.280 4.428 1.00 61.10 C ATOM 1704 CE1 HIS A 111 0.924 -1.727 5.453 1.00 1.53 C ATOM 1705 NE2 HIS A 111 2.069 -2.358 5.599 1.00 23.13 N ATOM 0 H HIS A 111 4.268 -3.078 1.704 1.00 11.24 H new ATOM 0 HA HIS A 111 1.451 -2.719 0.933 1.00 34.12 H new ATOM 0 HB2 HIS A 111 3.228 -0.566 2.153 1.00 51.41 H new ATOM 0 HB3 HIS A 111 1.508 -0.466 1.835 1.00 51.41 H new ATOM 0 HD2 HIS A 111 3.744 -2.702 4.237 1.00 61.10 H new ATOM 0 HE1 HIS A 111 0.161 -1.618 6.210 1.00 1.53 H new ATOM 0 HE2 HIS A 111 2.383 -2.828 6.448 1.00 23.13 H new ATOM 1714 N ILE A 112 2.082 -0.977 -0.868 1.00 62.25 N ATOM 1715 CA ILE A 112 2.411 -0.233 -2.066 1.00 61.41 C ATOM 1716 C ILE A 112 1.892 1.179 -1.876 1.00 11.21 C ATOM 1717 O ILE A 112 0.800 1.361 -1.332 1.00 44.20 O ATOM 1718 CB ILE A 112 1.740 -0.827 -3.328 1.00 44.22 C ATOM 1719 CG1 ILE A 112 1.911 -2.347 -3.380 1.00 42.32 C ATOM 1720 CG2 ILE A 112 2.322 -0.189 -4.580 1.00 63.10 C ATOM 1721 CD1 ILE A 112 1.217 -2.999 -4.561 1.00 51.03 C ATOM 0 H ILE A 112 1.097 -0.915 -0.609 1.00 62.25 H new ATOM 0 HA ILE A 112 3.490 -0.269 -2.214 1.00 61.41 H new ATOM 0 HB ILE A 112 0.673 -0.609 -3.280 1.00 44.22 H new ATOM 0 HG12 ILE A 112 2.974 -2.583 -3.419 1.00 42.32 H new ATOM 0 HG13 ILE A 112 1.523 -2.779 -2.458 1.00 42.32 H new ATOM 0 HG21 ILE A 112 1.843 -0.614 -5.462 1.00 63.10 H new ATOM 0 HG22 ILE A 112 2.147 0.887 -4.555 1.00 63.10 H new ATOM 0 HG23 ILE A 112 3.394 -0.381 -4.622 1.00 63.10 H new ATOM 0 HD11 ILE A 112 1.382 -4.076 -4.531 1.00 51.03 H new ATOM 0 HD12 ILE A 112 0.147 -2.795 -4.513 1.00 51.03 H new ATOM 0 HD13 ILE A 112 1.622 -2.595 -5.489 1.00 51.03 H new ATOM 1733 N ILE A 113 2.654 2.169 -2.289 1.00 51.21 N ATOM 1734 CA ILE A 113 2.250 3.550 -2.100 1.00 44.21 C ATOM 1735 C ILE A 113 2.235 4.303 -3.421 1.00 62.45 C ATOM 1736 O ILE A 113 3.251 4.399 -4.102 1.00 54.54 O ATOM 1737 CB ILE A 113 3.203 4.280 -1.130 1.00 3.20 C ATOM 1738 CG1 ILE A 113 3.330 3.509 0.188 1.00 44.03 C ATOM 1739 CG2 ILE A 113 2.715 5.703 -0.871 1.00 51.43 C ATOM 1740 CD1 ILE A 113 4.377 4.073 1.122 1.00 33.31 C ATOM 0 H ILE A 113 3.553 2.047 -2.756 1.00 51.21 H new ATOM 0 HA ILE A 113 1.245 3.531 -1.680 1.00 44.21 H new ATOM 0 HB ILE A 113 4.188 4.331 -1.593 1.00 3.20 H new ATOM 0 HG12 ILE A 113 2.365 3.511 0.694 1.00 44.03 H new ATOM 0 HG13 ILE A 113 3.573 2.469 -0.031 1.00 44.03 H new ATOM 0 HG21 ILE A 113 3.399 6.203 -0.185 1.00 51.43 H new ATOM 0 HG22 ILE A 113 2.679 6.252 -1.812 1.00 51.43 H new ATOM 0 HG23 ILE A 113 1.718 5.671 -0.431 1.00 51.43 H new ATOM 0 HD11 ILE A 113 4.410 3.477 2.034 1.00 33.31 H new ATOM 0 HD12 ILE A 113 5.352 4.046 0.635 1.00 33.31 H new ATOM 0 HD13 ILE A 113 4.125 5.104 1.372 1.00 33.31 H new ATOM 1752 N LEU A 114 1.084 4.824 -3.782 1.00 33.03 N ATOM 1753 CA LEU A 114 0.958 5.628 -4.977 1.00 22.32 C ATOM 1754 C LEU A 114 0.635 7.053 -4.567 1.00 33.32 C ATOM 1755 O LEU A 114 -0.437 7.325 -4.022 1.00 25.44 O ATOM 1756 CB LEU A 114 -0.129 5.054 -5.911 1.00 22.41 C ATOM 1757 CG LEU A 114 -0.115 5.553 -7.375 1.00 13.53 C ATOM 1758 CD1 LEU A 114 -0.955 4.643 -8.253 1.00 74.21 C ATOM 1759 CD2 LEU A 114 -0.627 6.986 -7.480 1.00 4.14 C ATOM 0 H LEU A 114 0.216 4.704 -3.261 1.00 33.03 H new ATOM 0 HA LEU A 114 1.896 5.615 -5.533 1.00 22.32 H new ATOM 0 HB2 LEU A 114 -0.033 3.968 -5.920 1.00 22.41 H new ATOM 0 HB3 LEU A 114 -1.104 5.284 -5.481 1.00 22.41 H new ATOM 0 HG LEU A 114 0.919 5.533 -7.720 1.00 13.53 H new ATOM 0 HD11 LEU A 114 -0.935 5.008 -9.280 1.00 74.21 H new ATOM 0 HD12 LEU A 114 -0.551 3.631 -8.220 1.00 74.21 H new ATOM 0 HD13 LEU A 114 -1.983 4.636 -7.891 1.00 74.21 H new ATOM 0 HD21 LEU A 114 -0.604 7.305 -8.522 1.00 4.14 H new ATOM 0 HD22 LEU A 114 -1.650 7.035 -7.108 1.00 4.14 H new ATOM 0 HD23 LEU A 114 0.007 7.643 -6.885 1.00 4.14 H new ATOM 1771 N ARG A 115 1.567 7.953 -4.800 1.00 13.24 N ATOM 1772 CA ARG A 115 1.389 9.338 -4.421 1.00 73.20 C ATOM 1773 C ARG A 115 0.674 10.105 -5.515 1.00 34.22 C ATOM 1774 O ARG A 115 1.200 10.266 -6.612 1.00 42.21 O ATOM 1775 CB ARG A 115 2.736 9.989 -4.111 1.00 23.33 C ATOM 1776 CG ARG A 115 2.640 11.466 -3.762 1.00 53.02 C ATOM 1777 CD ARG A 115 3.986 12.027 -3.364 1.00 61.33 C ATOM 1778 NE ARG A 115 3.939 13.471 -3.141 1.00 63.25 N ATOM 1779 CZ ARG A 115 4.900 14.164 -2.531 1.00 45.25 C ATOM 1780 NH1 ARG A 115 5.946 13.535 -2.006 1.00 74.13 N ATOM 1781 NH2 ARG A 115 4.807 15.481 -2.426 1.00 20.51 N ATOM 0 H ARG A 115 2.458 7.749 -5.252 1.00 13.24 H new ATOM 0 HA ARG A 115 0.775 9.367 -3.521 1.00 73.20 H new ATOM 0 HB2 ARG A 115 3.202 9.459 -3.280 1.00 23.33 H new ATOM 0 HB3 ARG A 115 3.393 9.871 -4.973 1.00 23.33 H new ATOM 0 HG2 ARG A 115 2.252 12.019 -4.617 1.00 53.02 H new ATOM 0 HG3 ARG A 115 1.931 11.603 -2.946 1.00 53.02 H new ATOM 0 HD2 ARG A 115 4.330 11.532 -2.456 1.00 61.33 H new ATOM 0 HD3 ARG A 115 4.715 11.805 -4.143 1.00 61.33 H new ATOM 0 HE ARG A 115 3.120 13.980 -3.473 1.00 63.25 H new ATOM 0 HH11 ARG A 115 6.015 12.519 -2.069 1.00 74.13 H new ATOM 0 HH12 ARG A 115 6.680 14.068 -1.540 1.00 74.13 H new ATOM 0 HH21 ARG A 115 3.998 15.968 -2.813 1.00 20.51 H new ATOM 0 HH22 ARG A 115 5.544 16.009 -1.959 1.00 20.51 H new ATOM 1795 N THR A 116 -0.516 10.568 -5.219 1.00 61.10 N ATOM 1796 CA THR A 116 -1.289 11.319 -6.172 1.00 21.32 C ATOM 1797 C THR A 116 -0.948 12.803 -6.097 1.00 54.20 C ATOM 1798 O THR A 116 -0.787 13.461 -7.122 1.00 4.43 O ATOM 1799 CB THR A 116 -2.792 11.111 -5.946 1.00 73.44 C ATOM 1800 OG1 THR A 116 -3.080 11.182 -4.544 1.00 40.24 O ATOM 1801 CG2 THR A 116 -3.235 9.761 -6.492 1.00 73.25 C ATOM 0 H THR A 116 -0.972 10.435 -4.316 1.00 61.10 H new ATOM 0 HA THR A 116 -1.036 10.953 -7.167 1.00 21.32 H new ATOM 0 HB THR A 116 -3.336 11.894 -6.473 1.00 73.44 H new ATOM 0 HG1 THR A 116 -4.003 10.895 -4.385 1.00 40.24 H new ATOM 0 HG21 THR A 116 -4.304 9.633 -6.322 1.00 73.25 H new ATOM 0 HG22 THR A 116 -3.030 9.716 -7.562 1.00 73.25 H new ATOM 0 HG23 THR A 116 -2.689 8.966 -5.984 1.00 73.25 H new ATOM 1809 N GLU A 117 -0.817 13.318 -4.879 1.00 23.04 N ATOM 1810 CA GLU A 117 -0.478 14.718 -4.668 1.00 10.25 C ATOM 1811 C GLU A 117 0.722 14.833 -3.728 1.00 34.32 C ATOM 1812 O GLU A 117 1.874 14.907 -4.225 1.00 0.00 O ATOM 1813 CB GLU A 117 -1.669 15.492 -4.086 1.00 44.01 C ATOM 1814 CG GLU A 117 -2.945 15.429 -4.926 1.00 12.34 C ATOM 1815 CD GLU A 117 -2.785 16.037 -6.307 1.00 1.44 C ATOM 1816 OE1 GLU A 117 -2.297 17.187 -6.407 1.00 3.23 O ATOM 1817 OE2 GLU A 117 -3.179 15.383 -7.299 1.00 52.12 O ATOM 1818 OXT GLU A 117 0.513 14.842 -2.495 1.00 0.00 O ATOM 0 H GLU A 117 -0.941 12.782 -4.020 1.00 23.04 H new ATOM 0 HA GLU A 117 -0.223 15.153 -5.634 1.00 10.25 H new ATOM 0 HB2 GLU A 117 -1.886 15.103 -3.091 1.00 44.01 H new ATOM 0 HB3 GLU A 117 -1.382 16.536 -3.965 1.00 44.01 H new ATOM 0 HG2 GLU A 117 -3.253 14.389 -5.028 1.00 12.34 H new ATOM 0 HG3 GLU A 117 -3.745 15.948 -4.398 1.00 12.34 H new