USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ 174:sc= 0.287 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -72:sc= 1.49 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -0.0279 USER MOD Set 2.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 21 THR OG1 : rot 44:sc= 0.178 USER MOD Single : A 24 SER OG : rot -21:sc= 1.1 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 49:sc= 1.16 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.061 K(o=-0.061,f=-1.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=-0.0065) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 87 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.028) USER MOD Single : A 90 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.93) USER MOD Single : A 93 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.56) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.266 38.458 18.791 1.00 0.00 N ATOM 45 CA ASP A 12 26.211 38.644 17.733 1.00 0.00 C ATOM 46 C ASP A 12 27.139 37.482 17.637 1.00 0.00 C ATOM 47 O ASP A 12 27.399 36.792 18.622 1.00 0.00 O ATOM 48 CB ASP A 12 26.946 39.970 17.991 1.00 0.00 C ATOM 49 CG ASP A 12 27.761 40.471 16.806 1.00 0.00 C ATOM 50 OD1 ASP A 12 27.362 40.232 15.635 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.809 41.127 17.043 1.00 0.00 O ATOM 0 HA ASP A 12 25.707 38.698 16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.215 40.731 18.263 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.609 39.845 18.847 1.00 0.00 H new ATOM 56 N THR A 13 27.673 37.194 16.437 1.00 0.00 N ATOM 57 CA THR A 13 28.540 36.094 16.151 1.00 0.00 C ATOM 58 C THR A 13 29.986 36.436 16.258 1.00 0.00 C ATOM 59 O THR A 13 30.395 37.587 16.112 1.00 0.00 O ATOM 60 CB THR A 13 28.342 35.495 14.790 1.00 0.00 C ATOM 61 OG1 THR A 13 28.078 36.491 13.811 1.00 0.00 O ATOM 62 CG2 THR A 13 27.142 34.534 14.817 1.00 0.00 C ATOM 0 H THR A 13 27.487 37.767 15.614 1.00 0.00 H new ATOM 0 HA THR A 13 28.260 35.371 16.917 1.00 0.00 H new ATOM 0 HB THR A 13 29.262 34.971 14.530 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.956 36.066 12.936 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.001 34.100 13.827 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.329 33.738 15.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.244 35.081 15.105 1.00 0.00 H new ATOM 70 N PHE A 14 30.829 35.415 16.491 1.00 0.00 N ATOM 71 CA PHE A 14 32.254 35.534 16.488 1.00 0.00 C ATOM 72 C PHE A 14 32.802 34.240 15.992 1.00 0.00 C ATOM 73 O PHE A 14 32.399 33.167 16.439 1.00 0.00 O ATOM 74 CB PHE A 14 32.922 35.763 17.854 1.00 0.00 C ATOM 75 CG PHE A 14 32.136 36.627 18.779 1.00 0.00 C ATOM 76 CD1 PHE A 14 31.108 36.058 19.494 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.536 37.907 19.080 1.00 0.00 C ATOM 78 CE1 PHE A 14 30.527 36.729 20.544 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.940 38.596 20.110 1.00 0.00 C ATOM 80 CZ PHE A 14 30.939 38.006 20.845 1.00 0.00 C ATOM 0 H PHE A 14 30.505 34.468 16.689 1.00 0.00 H new ATOM 0 HA PHE A 14 32.467 36.412 15.878 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.090 34.797 18.331 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.901 36.215 17.696 1.00 0.00 H new ATOM 0 HD1 PHE A 14 30.753 35.073 19.228 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.322 38.374 18.505 1.00 0.00 H new ATOM 0 HE1 PHE A 14 29.752 36.256 21.129 1.00 0.00 H new ATOM 0 HE2 PHE A 14 32.259 39.602 20.342 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.476 38.545 21.658 1.00 0.00 H new ATOM 90 N GLU A 15 33.778 34.279 15.067 1.00 0.00 N ATOM 91 CA GLU A 15 34.624 33.162 14.784 1.00 0.00 C ATOM 92 C GLU A 15 35.821 33.267 15.665 1.00 0.00 C ATOM 93 O GLU A 15 36.370 34.352 15.845 1.00 0.00 O ATOM 94 CB GLU A 15 35.103 33.132 13.323 1.00 0.00 C ATOM 95 CG GLU A 15 34.002 33.153 12.261 1.00 0.00 C ATOM 96 CD GLU A 15 34.611 33.468 10.903 1.00 0.00 C ATOM 97 OE1 GLU A 15 35.359 32.631 10.332 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.374 34.600 10.402 1.00 0.00 O ATOM 0 H GLU A 15 33.983 35.104 14.504 1.00 0.00 H new ATOM 0 HA GLU A 15 34.052 32.251 14.960 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.758 33.988 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.706 32.236 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.495 32.189 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.250 33.900 12.516 1.00 0.00 H new ATOM 105 N VAL A 16 36.278 32.154 16.265 1.00 0.00 N ATOM 106 CA VAL A 16 37.355 32.154 17.206 1.00 0.00 C ATOM 107 C VAL A 16 38.406 31.205 16.741 1.00 0.00 C ATOM 108 O VAL A 16 38.361 30.004 17.002 1.00 0.00 O ATOM 109 CB VAL A 16 36.860 31.887 18.597 1.00 0.00 C ATOM 110 CG1 VAL A 16 37.988 31.546 19.586 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.098 33.124 19.100 1.00 0.00 C ATOM 0 H VAL A 16 35.888 31.228 16.091 1.00 0.00 H new ATOM 0 HA VAL A 16 37.813 33.142 17.258 1.00 0.00 H new ATOM 0 HB VAL A 16 36.209 31.014 18.548 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.564 31.364 20.573 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.512 30.653 19.246 1.00 0.00 H new ATOM 0 HG13 VAL A 16 38.689 32.379 19.640 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.734 32.941 20.111 1.00 0.00 H new ATOM 0 HG22 VAL A 16 36.766 33.985 19.106 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.253 33.324 18.441 1.00 0.00 H new ATOM 121 N GLU A 17 39.408 31.713 16.002 1.00 0.00 N ATOM 122 CA GLU A 17 40.573 31.000 15.579 1.00 0.00 C ATOM 123 C GLU A 17 41.678 31.153 16.567 1.00 0.00 C ATOM 124 O GLU A 17 42.539 32.020 16.432 1.00 0.00 O ATOM 125 CB GLU A 17 41.037 31.507 14.202 1.00 0.00 C ATOM 126 CG GLU A 17 40.187 30.958 13.055 1.00 0.00 C ATOM 127 CD GLU A 17 40.445 31.682 11.740 1.00 0.00 C ATOM 128 OE1 GLU A 17 41.627 31.784 11.317 1.00 0.00 O ATOM 129 OE2 GLU A 17 39.461 32.152 11.110 1.00 0.00 O ATOM 0 H GLU A 17 39.404 32.681 15.680 1.00 0.00 H new ATOM 0 HA GLU A 17 40.314 29.944 15.506 1.00 0.00 H new ATOM 0 HB2 GLU A 17 40.999 32.596 14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.078 31.223 14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.396 29.896 12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.132 31.047 13.314 1.00 0.00 H new ATOM 136 N LEU A 18 41.699 30.304 17.609 1.00 0.00 N ATOM 137 CA LEU A 18 42.661 30.377 18.665 1.00 0.00 C ATOM 138 C LEU A 18 43.509 29.155 18.751 1.00 0.00 C ATOM 139 O LEU A 18 43.170 28.077 18.268 1.00 0.00 O ATOM 140 CB LEU A 18 42.063 30.885 19.987 1.00 0.00 C ATOM 141 CG LEU A 18 41.185 29.939 20.823 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.034 28.842 21.489 1.00 0.00 C ATOM 143 CD2 LEU A 18 40.507 30.784 21.914 1.00 0.00 C ATOM 0 H LEU A 18 41.028 29.544 17.721 1.00 0.00 H new ATOM 0 HA LEU A 18 43.374 31.160 18.405 1.00 0.00 H new ATOM 0 HB2 LEU A 18 42.890 31.210 20.618 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.469 31.770 19.760 1.00 0.00 H new ATOM 0 HG LEU A 18 40.452 29.453 20.179 1.00 0.00 H new ATOM 0 HD11 LEU A 18 41.388 28.187 22.074 1.00 0.00 H new ATOM 0 HD12 LEU A 18 42.542 28.259 20.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 42.774 29.302 22.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.874 30.144 22.529 1.00 0.00 H new ATOM 0 HD22 LEU A 18 41.269 31.250 22.539 1.00 0.00 H new ATOM 0 HD23 LEU A 18 39.897 31.558 21.448 1.00 0.00 H new ATOM 155 N ALA A 19 44.710 29.297 19.342 1.00 0.00 N ATOM 156 CA ALA A 19 45.705 28.279 19.483 1.00 0.00 C ATOM 157 C ALA A 19 45.724 27.701 20.856 1.00 0.00 C ATOM 158 O ALA A 19 45.721 28.416 21.858 1.00 0.00 O ATOM 159 CB ALA A 19 47.089 28.842 19.124 1.00 0.00 C ATOM 0 H ALA A 19 45.005 30.185 19.749 1.00 0.00 H new ATOM 0 HA ALA A 19 45.451 27.473 18.795 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.840 28.060 19.234 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.082 29.195 18.093 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.328 29.671 19.790 1.00 0.00 H new ATOM 165 N LYS A 20 45.766 26.359 20.946 1.00 0.00 N ATOM 166 CA LYS A 20 45.770 25.604 22.161 1.00 0.00 C ATOM 167 C LYS A 20 47.026 25.690 22.958 1.00 0.00 C ATOM 168 O LYS A 20 48.131 25.558 22.434 1.00 0.00 O ATOM 169 CB LYS A 20 45.527 24.139 21.762 1.00 0.00 C ATOM 170 CG LYS A 20 45.309 23.148 22.907 1.00 0.00 C ATOM 171 CD LYS A 20 45.366 21.702 22.412 1.00 0.00 C ATOM 172 CE LYS A 20 44.176 21.307 21.534 1.00 0.00 C ATOM 173 NZ LYS A 20 44.418 19.978 20.927 1.00 0.00 N ATOM 0 H LYS A 20 45.799 25.765 20.118 1.00 0.00 H new ATOM 0 HA LYS A 20 44.999 26.019 22.810 1.00 0.00 H new ATOM 0 HB2 LYS A 20 44.655 24.103 21.109 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.380 23.799 21.174 1.00 0.00 H new ATOM 0 HG2 LYS A 20 46.069 23.302 23.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.342 23.336 23.374 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.287 21.556 21.848 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.410 21.034 23.272 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.264 21.283 22.131 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.026 22.052 20.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.567 19.670 20.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.217 20.039 20.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.640 19.290 21.675 1.00 0.00 H new ATOM 187 N THR A 21 46.918 25.889 24.284 1.00 0.00 N ATOM 188 CA THR A 21 48.029 26.032 25.172 1.00 0.00 C ATOM 189 C THR A 21 48.208 24.824 26.025 1.00 0.00 C ATOM 190 O THR A 21 47.339 24.450 26.811 1.00 0.00 O ATOM 191 CB THR A 21 47.956 27.233 26.068 1.00 0.00 C ATOM 192 OG1 THR A 21 46.752 27.298 26.818 1.00 0.00 O ATOM 193 CG2 THR A 21 47.997 28.497 25.193 1.00 0.00 C ATOM 0 H THR A 21 46.017 25.953 24.757 1.00 0.00 H new ATOM 0 HA THR A 21 48.883 26.166 24.508 1.00 0.00 H new ATOM 0 HB THR A 21 48.795 27.160 26.761 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.542 26.410 27.176 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.945 29.381 25.828 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.926 28.515 24.622 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.150 28.492 24.507 1.00 0.00 H new ATOM 201 N ASP A 22 49.368 24.153 25.899 1.00 0.00 N ATOM 202 CA ASP A 22 49.804 23.024 26.661 1.00 0.00 C ATOM 203 C ASP A 22 48.809 21.927 26.816 1.00 0.00 C ATOM 204 O ASP A 22 48.590 21.364 27.887 1.00 0.00 O ATOM 205 CB ASP A 22 50.425 23.538 27.970 1.00 0.00 C ATOM 206 CG ASP A 22 51.444 22.567 28.549 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.483 22.331 27.876 1.00 0.00 O ATOM 208 OD2 ASP A 22 51.248 22.064 29.687 1.00 0.00 O ATOM 0 H ASP A 22 50.060 24.427 25.202 1.00 0.00 H new ATOM 0 HA ASP A 22 50.572 22.502 26.090 1.00 0.00 H new ATOM 0 HB2 ASP A 22 50.906 24.499 27.788 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.635 23.710 28.701 1.00 0.00 H new ATOM 213 N GLY A 23 48.125 21.579 25.710 1.00 0.00 N ATOM 214 CA GLY A 23 47.138 20.545 25.667 1.00 0.00 C ATOM 215 C GLY A 23 45.756 20.980 26.016 1.00 0.00 C ATOM 216 O GLY A 23 44.822 20.185 25.924 1.00 0.00 O ATOM 0 H GLY A 23 48.266 22.037 24.810 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.126 20.116 24.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.436 19.750 26.350 1.00 0.00 H new ATOM 220 N SER A 24 45.552 22.241 26.435 1.00 0.00 N ATOM 221 CA SER A 24 44.300 22.717 26.936 1.00 0.00 C ATOM 222 C SER A 24 43.740 23.871 26.176 1.00 0.00 C ATOM 223 O SER A 24 44.447 24.811 25.817 1.00 0.00 O ATOM 224 CB SER A 24 44.382 23.092 28.425 1.00 0.00 C ATOM 225 OG SER A 24 45.324 24.117 28.702 1.00 0.00 O ATOM 0 H SER A 24 46.282 22.953 26.425 1.00 0.00 H new ATOM 0 HA SER A 24 43.620 21.875 26.803 1.00 0.00 H new ATOM 0 HB2 SER A 24 43.397 23.413 28.765 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.644 22.204 29.001 1.00 0.00 H new ATOM 0 HG SER A 24 45.980 24.164 27.975 1.00 0.00 H new ATOM 231 N LEU A 25 42.421 23.861 25.912 1.00 0.00 N ATOM 232 CA LEU A 25 41.712 25.006 25.433 1.00 0.00 C ATOM 233 C LEU A 25 41.177 25.797 26.578 1.00 0.00 C ATOM 234 O LEU A 25 41.573 26.941 26.795 1.00 0.00 O ATOM 235 CB LEU A 25 40.579 24.607 24.473 1.00 0.00 C ATOM 236 CG LEU A 25 41.072 23.951 23.172 1.00 0.00 C ATOM 237 CD1 LEU A 25 39.891 23.379 22.371 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.874 24.932 22.299 1.00 0.00 C ATOM 0 H LEU A 25 41.833 23.036 26.035 1.00 0.00 H new ATOM 0 HA LEU A 25 42.413 25.625 24.873 1.00 0.00 H new ATOM 0 HB2 LEU A 25 39.907 23.918 24.985 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.997 25.494 24.224 1.00 0.00 H new ATOM 0 HG LEU A 25 41.739 23.138 23.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.261 22.920 21.455 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.374 22.629 22.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.199 24.182 22.120 1.00 0.00 H new ATOM 0 HD21 LEU A 25 42.202 24.426 21.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 41.244 25.781 22.034 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.744 25.284 22.853 1.00 0.00 H new ATOM 250 N GLY A 26 40.286 25.232 27.413 1.00 0.00 N ATOM 251 CA GLY A 26 39.864 25.809 28.651 1.00 0.00 C ATOM 252 C GLY A 26 38.416 26.161 28.671 1.00 0.00 C ATOM 253 O GLY A 26 38.026 27.149 29.291 1.00 0.00 O ATOM 0 H GLY A 26 39.841 24.335 27.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.072 25.109 29.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.452 26.706 28.846 1.00 0.00 H new ATOM 257 N ILE A 27 37.566 25.345 28.024 1.00 0.00 N ATOM 258 CA ILE A 27 36.162 25.572 27.877 1.00 0.00 C ATOM 259 C ILE A 27 35.399 24.409 28.413 1.00 0.00 C ATOM 260 O ILE A 27 35.579 23.266 27.998 1.00 0.00 O ATOM 261 CB ILE A 27 35.766 25.839 26.456 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.723 25.194 25.438 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.691 27.364 26.274 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.298 25.380 23.983 1.00 0.00 C ATOM 0 H ILE A 27 37.875 24.480 27.580 1.00 0.00 H new ATOM 0 HA ILE A 27 35.920 26.468 28.449 1.00 0.00 H new ATOM 0 HB ILE A 27 34.796 25.382 26.261 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.719 25.617 25.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.798 24.128 25.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.404 27.594 25.248 1.00 0.00 H new ATOM 0 HG22 ILE A 27 34.950 27.776 26.959 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.665 27.804 26.486 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.023 24.897 23.328 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.316 24.932 23.831 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.251 26.444 23.751 1.00 0.00 H new ATOM 276 N SER A 28 34.483 24.660 29.365 1.00 0.00 N ATOM 277 CA SER A 28 33.545 23.683 29.824 1.00 0.00 C ATOM 278 C SER A 28 32.232 23.971 29.179 1.00 0.00 C ATOM 279 O SER A 28 31.619 25.005 29.439 1.00 0.00 O ATOM 280 CB SER A 28 33.378 23.696 31.354 1.00 0.00 C ATOM 281 OG SER A 28 32.583 22.619 31.828 1.00 0.00 O ATOM 0 H SER A 28 34.392 25.565 29.827 1.00 0.00 H new ATOM 0 HA SER A 28 33.917 22.694 29.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.361 23.650 31.823 1.00 0.00 H new ATOM 0 HB3 SER A 28 32.923 24.639 31.658 1.00 0.00 H new ATOM 0 HG SER A 28 32.509 22.672 32.804 1.00 0.00 H new ATOM 287 N VAL A 29 31.769 23.080 28.284 1.00 0.00 N ATOM 288 CA VAL A 29 30.545 23.211 27.556 1.00 0.00 C ATOM 289 C VAL A 29 29.483 22.320 28.101 1.00 0.00 C ATOM 290 O VAL A 29 29.739 21.381 28.851 1.00 0.00 O ATOM 291 CB VAL A 29 30.709 22.992 26.082 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.605 24.103 25.506 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.295 21.606 25.763 1.00 0.00 C ATOM 0 H VAL A 29 32.275 22.224 28.057 1.00 0.00 H new ATOM 0 HA VAL A 29 30.232 24.247 27.690 1.00 0.00 H new ATOM 0 HB VAL A 29 29.723 23.030 25.618 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.729 23.951 24.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.141 25.073 25.683 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.580 24.073 25.992 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.396 21.493 24.684 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.275 21.509 26.231 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.631 20.833 26.148 1.00 0.00 H new ATOM 303 N THR A 30 28.211 22.607 27.770 1.00 0.00 N ATOM 304 CA THR A 30 27.063 21.923 28.279 1.00 0.00 C ATOM 305 C THR A 30 25.975 21.938 27.261 1.00 0.00 C ATOM 306 O THR A 30 26.095 22.587 26.224 1.00 0.00 O ATOM 307 CB THR A 30 26.589 22.545 29.559 1.00 0.00 C ATOM 308 OG1 THR A 30 25.642 21.752 30.259 1.00 0.00 O ATOM 309 CG2 THR A 30 25.975 23.941 29.363 1.00 0.00 C ATOM 0 H THR A 30 27.972 23.352 27.116 1.00 0.00 H new ATOM 0 HA THR A 30 27.341 20.891 28.491 1.00 0.00 H new ATOM 0 HB THR A 30 27.500 22.624 30.151 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.375 22.212 31.083 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.652 24.335 30.327 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.720 24.608 28.929 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.117 23.871 28.694 1.00 0.00 H new ATOM 317 N GLY A 31 24.858 21.234 27.522 1.00 0.00 N ATOM 318 CA GLY A 31 23.645 21.337 26.771 1.00 0.00 C ATOM 319 C GLY A 31 23.342 20.123 25.961 1.00 0.00 C ATOM 320 O GLY A 31 23.373 19.000 26.460 1.00 0.00 O ATOM 0 H GLY A 31 24.798 20.565 28.289 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.818 21.523 27.456 1.00 0.00 H new ATOM 0 HA3 GLY A 31 23.710 22.200 26.108 1.00 0.00 H new ATOM 324 N GLY A 32 23.003 20.314 24.674 1.00 0.00 N ATOM 325 CA GLY A 32 22.788 19.263 23.729 1.00 0.00 C ATOM 326 C GLY A 32 21.452 18.605 23.784 1.00 0.00 C ATOM 327 O GLY A 32 20.611 18.912 24.627 1.00 0.00 O ATOM 0 H GLY A 32 22.873 21.243 24.274 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.933 19.666 22.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.553 18.502 23.880 1.00 0.00 H new ATOM 331 N VAL A 33 21.193 17.656 22.867 1.00 0.00 N ATOM 332 CA VAL A 33 19.912 17.064 22.638 1.00 0.00 C ATOM 333 C VAL A 33 19.409 16.104 23.660 1.00 0.00 C ATOM 334 O VAL A 33 18.254 15.687 23.600 1.00 0.00 O ATOM 335 CB VAL A 33 19.828 16.405 21.292 1.00 0.00 C ATOM 336 CG1 VAL A 33 19.970 17.468 20.189 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.877 15.293 21.129 1.00 0.00 C ATOM 0 H VAL A 33 21.916 17.282 22.253 1.00 0.00 H new ATOM 0 HA VAL A 33 19.259 17.934 22.704 1.00 0.00 H new ATOM 0 HB VAL A 33 18.852 15.927 21.205 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.909 16.989 19.212 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.169 18.201 20.285 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.933 17.969 20.288 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.780 14.843 20.141 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.876 15.716 21.239 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.720 14.530 21.892 1.00 0.00 H new ATOM 450 N GLY A 41 20.980 22.948 22.112 1.00 0.00 N ATOM 451 CA GLY A 41 22.084 23.833 21.908 1.00 0.00 C ATOM 452 C GLY A 41 23.237 23.556 22.809 1.00 0.00 C ATOM 453 O GLY A 41 23.059 23.170 23.963 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.415 23.757 20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.751 24.859 22.061 1.00 0.00 H new ATOM 457 N ILE A 42 24.474 23.746 22.314 1.00 0.00 N ATOM 458 CA ILE A 42 25.671 23.632 23.088 1.00 0.00 C ATOM 459 C ILE A 42 26.050 24.977 23.603 1.00 0.00 C ATOM 460 O ILE A 42 26.210 25.925 22.836 1.00 0.00 O ATOM 461 CB ILE A 42 26.796 23.021 22.307 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.417 21.648 21.727 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.073 22.913 23.157 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.167 20.552 22.762 1.00 0.00 C ATOM 0 H ILE A 42 24.646 23.988 21.338 1.00 0.00 H new ATOM 0 HA ILE A 42 25.475 22.960 23.924 1.00 0.00 H new ATOM 0 HB ILE A 42 26.996 23.689 21.469 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.520 21.763 21.119 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.214 21.321 21.060 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.869 22.466 22.562 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.378 23.907 23.483 1.00 0.00 H new ATOM 0 HG23 ILE A 42 27.878 22.289 24.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.907 19.624 22.253 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.068 20.400 23.356 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.347 20.849 23.416 1.00 0.00 H new ATOM 476 N TYR A 43 26.192 25.132 24.931 1.00 0.00 N ATOM 477 CA TYR A 43 26.457 26.388 25.560 1.00 0.00 C ATOM 478 C TYR A 43 27.703 26.304 26.373 1.00 0.00 C ATOM 479 O TYR A 43 28.085 25.234 26.845 1.00 0.00 O ATOM 480 CB TYR A 43 25.317 26.789 26.513 1.00 0.00 C ATOM 481 CG TYR A 43 24.164 27.355 25.759 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.115 28.709 25.525 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.129 26.560 25.325 1.00 0.00 C ATOM 484 CE1 TYR A 43 23.041 29.268 24.874 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.057 27.110 24.663 1.00 0.00 C ATOM 486 CZ TYR A 43 22.014 28.465 24.437 1.00 0.00 C ATOM 487 OH TYR A 43 20.926 29.028 23.737 1.00 0.00 O ATOM 0 H TYR A 43 26.120 24.356 25.589 1.00 0.00 H new ATOM 0 HA TYR A 43 26.556 27.128 24.765 1.00 0.00 H new ATOM 0 HB2 TYR A 43 24.991 25.919 27.082 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.681 27.523 27.232 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.928 29.339 25.856 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.159 25.496 25.506 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.004 30.334 24.706 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.250 26.479 24.321 1.00 0.00 H new ATOM 0 HH TYR A 43 20.289 28.322 23.500 1.00 0.00 H new ATOM 497 N VAL A 44 28.391 27.439 26.595 1.00 0.00 N ATOM 498 CA VAL A 44 29.463 27.539 27.536 1.00 0.00 C ATOM 499 C VAL A 44 28.958 27.614 28.935 1.00 0.00 C ATOM 500 O VAL A 44 28.076 28.410 29.258 1.00 0.00 O ATOM 501 CB VAL A 44 30.421 28.655 27.237 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.636 28.628 28.180 1.00 0.00 C ATOM 503 CG2 VAL A 44 30.916 28.471 25.793 1.00 0.00 C ATOM 0 H VAL A 44 28.196 28.312 26.105 1.00 0.00 H new ATOM 0 HA VAL A 44 30.036 26.618 27.432 1.00 0.00 H new ATOM 0 HB VAL A 44 29.909 29.607 27.374 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.307 29.451 27.933 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.299 28.732 29.211 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.165 27.682 28.065 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.616 29.269 25.544 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.416 27.507 25.700 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.067 28.507 25.110 1.00 0.00 H new ATOM 513 N LYS A 45 29.501 26.773 29.833 1.00 0.00 N ATOM 514 CA LYS A 45 29.192 26.740 31.228 1.00 0.00 C ATOM 515 C LYS A 45 30.231 27.442 32.033 1.00 0.00 C ATOM 516 O LYS A 45 29.912 28.285 32.870 1.00 0.00 O ATOM 517 CB LYS A 45 29.068 25.280 31.696 1.00 0.00 C ATOM 518 CG LYS A 45 28.855 25.103 33.201 1.00 0.00 C ATOM 519 CD LYS A 45 28.648 23.640 33.598 1.00 0.00 C ATOM 520 CE LYS A 45 27.233 23.137 33.309 1.00 0.00 C ATOM 521 NZ LYS A 45 27.161 21.666 33.459 1.00 0.00 N ATOM 0 H LYS A 45 30.197 26.075 29.569 1.00 0.00 H new ATOM 0 HA LYS A 45 28.244 27.258 31.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.236 24.814 31.168 1.00 0.00 H new ATOM 0 HB3 LYS A 45 29.971 24.742 31.406 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.717 25.502 33.736 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.989 25.686 33.513 1.00 0.00 H new ATOM 0 HD2 LYS A 45 29.365 23.019 33.062 1.00 0.00 H new ATOM 0 HD3 LYS A 45 28.859 23.524 34.661 1.00 0.00 H new ATOM 0 HE2 LYS A 45 26.526 23.612 33.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.941 23.419 32.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.193 21.344 33.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.820 21.216 32.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.419 21.403 34.432 1.00 0.00 H new ATOM 535 N ALA A 46 31.524 27.129 31.832 1.00 0.00 N ATOM 536 CA ALA A 46 32.557 27.705 32.637 1.00 0.00 C ATOM 537 C ALA A 46 33.840 27.804 31.886 1.00 0.00 C ATOM 538 O ALA A 46 34.041 27.134 30.874 1.00 0.00 O ATOM 539 CB ALA A 46 32.772 26.890 33.923 1.00 0.00 C ATOM 0 H ALA A 46 31.853 26.481 31.116 1.00 0.00 H new ATOM 0 HA ALA A 46 32.233 28.711 32.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.562 27.349 34.517 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.848 26.872 34.501 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.058 25.871 33.664 1.00 0.00 H new ATOM 545 N ILE A 47 34.756 28.662 32.369 1.00 0.00 N ATOM 546 CA ILE A 47 36.042 28.885 31.785 1.00 0.00 C ATOM 547 C ILE A 47 37.112 28.451 32.727 1.00 0.00 C ATOM 548 O ILE A 47 37.129 28.799 33.907 1.00 0.00 O ATOM 549 CB ILE A 47 36.176 30.278 31.247 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.740 30.262 29.816 1.00 0.00 C ATOM 551 CG2 ILE A 47 37.016 31.238 32.107 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.776 29.734 28.755 1.00 0.00 C ATOM 0 H ILE A 47 34.593 29.225 33.204 1.00 0.00 H new ATOM 0 HA ILE A 47 36.161 28.260 30.900 1.00 0.00 H new ATOM 0 HB ILE A 47 35.158 30.668 31.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.036 31.275 29.546 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.643 29.652 29.803 1.00 0.00 H new ATOM 0 HG21 ILE A 47 37.051 32.218 31.630 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.565 31.331 33.095 1.00 0.00 H new ATOM 0 HG23 ILE A 47 38.029 30.847 32.206 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.260 29.760 27.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.498 28.708 28.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.882 30.357 28.734 1.00 0.00 H new ATOM 564 N ILE A 48 38.011 27.572 32.249 1.00 0.00 N ATOM 565 CA ILE A 48 39.083 26.986 32.992 1.00 0.00 C ATOM 566 C ILE A 48 40.229 27.917 33.184 1.00 0.00 C ATOM 567 O ILE A 48 40.831 28.281 32.175 1.00 0.00 O ATOM 568 CB ILE A 48 39.593 25.720 32.368 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.432 24.808 31.935 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.562 24.986 33.309 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.547 24.291 33.068 1.00 0.00 C ATOM 0 H ILE A 48 37.987 27.251 31.281 1.00 0.00 H new ATOM 0 HA ILE A 48 38.649 26.755 33.965 1.00 0.00 H new ATOM 0 HB ILE A 48 40.150 25.992 31.472 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.807 25.355 31.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.844 23.953 31.400 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.914 24.073 32.829 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.413 25.631 33.530 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.047 24.733 34.236 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.761 23.659 32.656 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.151 23.711 33.766 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.097 25.134 33.592 1.00 0.00 H new ATOM 583 N PRO A 49 40.624 28.357 34.342 1.00 0.00 N ATOM 584 CA PRO A 49 41.678 29.319 34.486 1.00 0.00 C ATOM 585 C PRO A 49 43.002 28.806 34.033 1.00 0.00 C ATOM 586 O PRO A 49 43.351 27.664 34.327 1.00 0.00 O ATOM 587 CB PRO A 49 41.673 29.681 35.969 1.00 0.00 C ATOM 588 CG PRO A 49 41.131 28.420 36.663 1.00 0.00 C ATOM 589 CD PRO A 49 40.128 27.888 35.627 1.00 0.00 C ATOM 0 HA PRO A 49 41.510 30.189 33.851 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.674 29.931 36.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.041 30.547 36.166 1.00 0.00 H new ATOM 0 HG2 PRO A 49 41.921 27.699 36.873 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.651 28.652 37.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.073 26.800 35.655 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.123 28.263 35.822 1.00 0.00 H new ATOM 597 N LYS A 50 43.733 29.659 33.294 1.00 0.00 N ATOM 598 CA LYS A 50 44.987 29.435 32.643 1.00 0.00 C ATOM 599 C LYS A 50 44.879 28.798 31.301 1.00 0.00 C ATOM 600 O LYS A 50 45.903 28.499 30.687 1.00 0.00 O ATOM 601 CB LYS A 50 46.048 28.766 33.534 1.00 0.00 C ATOM 602 CG LYS A 50 46.328 29.539 34.824 1.00 0.00 C ATOM 603 CD LYS A 50 47.208 28.789 35.826 1.00 0.00 C ATOM 604 CE LYS A 50 46.481 27.669 36.574 1.00 0.00 C ATOM 605 NZ LYS A 50 47.383 27.037 37.563 1.00 0.00 N ATOM 0 H LYS A 50 43.406 30.612 33.137 1.00 0.00 H new ATOM 0 HA LYS A 50 45.357 30.442 32.453 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.718 27.758 33.787 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.975 28.665 32.970 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.809 30.484 34.571 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.379 29.782 35.302 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.062 28.365 35.298 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.603 29.500 36.551 1.00 0.00 H new ATOM 0 HE2 LYS A 50 45.603 28.071 37.079 1.00 0.00 H new ATOM 0 HE3 LYS A 50 46.127 26.920 35.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 46.875 26.279 38.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 48.208 26.636 37.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.700 27.751 38.249 1.00 0.00 H new ATOM 619 N GLY A 51 43.675 28.609 30.732 1.00 0.00 N ATOM 620 CA GLY A 51 43.533 28.076 29.413 1.00 0.00 C ATOM 621 C GLY A 51 43.645 29.077 28.314 1.00 0.00 C ATOM 622 O GLY A 51 43.441 30.276 28.498 1.00 0.00 O ATOM 0 H GLY A 51 42.791 28.828 31.192 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.292 27.308 29.264 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.563 27.584 29.339 1.00 0.00 H new ATOM 626 N ALA A 52 43.928 28.596 27.091 1.00 0.00 N ATOM 627 CA ALA A 52 43.883 29.311 25.853 1.00 0.00 C ATOM 628 C ALA A 52 42.639 30.089 25.593 1.00 0.00 C ATOM 629 O ALA A 52 42.669 31.301 25.387 1.00 0.00 O ATOM 630 CB ALA A 52 44.094 28.319 24.697 1.00 0.00 C ATOM 0 H ALA A 52 44.212 27.625 26.958 1.00 0.00 H new ATOM 0 HA ALA A 52 44.677 30.054 25.925 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.061 28.854 23.748 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.064 27.833 24.807 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.307 27.565 24.716 1.00 0.00 H new ATOM 636 N ALA A 53 41.487 29.396 25.622 1.00 0.00 N ATOM 637 CA ALA A 53 40.158 29.879 25.408 1.00 0.00 C ATOM 638 C ALA A 53 39.745 30.844 26.467 1.00 0.00 C ATOM 639 O ALA A 53 39.232 31.926 26.187 1.00 0.00 O ATOM 640 CB ALA A 53 39.161 28.709 25.396 1.00 0.00 C ATOM 0 H ALA A 53 41.490 28.395 25.815 1.00 0.00 H new ATOM 0 HA ALA A 53 40.154 30.389 24.445 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.153 29.091 25.232 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.421 28.017 24.595 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.200 28.188 26.352 1.00 0.00 H new ATOM 646 N GLU A 54 40.020 30.468 27.728 1.00 0.00 N ATOM 647 CA GLU A 54 39.910 31.321 28.871 1.00 0.00 C ATOM 648 C GLU A 54 40.528 32.670 28.740 1.00 0.00 C ATOM 649 O GLU A 54 39.864 33.704 28.799 1.00 0.00 O ATOM 650 CB GLU A 54 40.515 30.612 30.095 1.00 0.00 C ATOM 651 CG GLU A 54 40.417 31.383 31.412 1.00 0.00 C ATOM 652 CD GLU A 54 41.614 32.236 31.808 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.779 31.764 31.734 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.402 33.397 32.251 1.00 0.00 O ATOM 0 H GLU A 54 40.334 29.526 27.962 1.00 0.00 H new ATOM 0 HA GLU A 54 38.841 31.504 28.981 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.019 29.650 30.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.566 30.405 29.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.542 32.031 31.360 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.234 30.665 32.211 1.00 0.00 H new ATOM 661 N SER A 55 41.865 32.681 28.591 1.00 0.00 N ATOM 662 CA SER A 55 42.654 33.873 28.594 1.00 0.00 C ATOM 663 C SER A 55 42.489 34.753 27.403 1.00 0.00 C ATOM 664 O SER A 55 42.759 35.951 27.479 1.00 0.00 O ATOM 665 CB SER A 55 44.148 33.596 28.835 1.00 0.00 C ATOM 666 OG SER A 55 44.381 33.313 30.207 1.00 0.00 O ATOM 0 H SER A 55 42.415 31.831 28.464 1.00 0.00 H new ATOM 0 HA SER A 55 42.249 34.428 29.440 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.472 32.755 28.223 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.739 34.459 28.529 1.00 0.00 H new ATOM 0 HG SER A 55 43.733 32.647 30.518 1.00 0.00 H new ATOM 672 N ASP A 56 42.007 34.215 26.268 1.00 0.00 N ATOM 673 CA ASP A 56 41.662 34.946 25.089 1.00 0.00 C ATOM 674 C ASP A 56 40.649 36.005 25.355 1.00 0.00 C ATOM 675 O ASP A 56 40.930 37.197 25.242 1.00 0.00 O ATOM 676 CB ASP A 56 41.197 33.953 24.010 1.00 0.00 C ATOM 677 CG ASP A 56 40.884 34.634 22.685 1.00 0.00 C ATOM 678 OD1 ASP A 56 39.787 35.241 22.571 1.00 0.00 O ATOM 679 OD2 ASP A 56 41.735 34.586 21.757 1.00 0.00 O ATOM 0 H ASP A 56 41.849 33.212 26.169 1.00 0.00 H new ATOM 0 HA ASP A 56 42.544 35.477 24.730 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.971 33.202 23.854 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.310 33.428 24.363 1.00 0.00 H new ATOM 684 N GLY A 57 39.419 35.610 25.731 1.00 0.00 N ATOM 685 CA GLY A 57 38.431 36.532 26.201 1.00 0.00 C ATOM 686 C GLY A 57 37.351 36.845 25.223 1.00 0.00 C ATOM 687 O GLY A 57 36.429 37.589 25.553 1.00 0.00 O ATOM 0 H GLY A 57 39.106 34.639 25.709 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.977 36.126 27.105 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.927 37.461 26.483 1.00 0.00 H new ATOM 691 N ARG A 58 37.383 36.258 24.014 1.00 0.00 N ATOM 692 CA ARG A 58 36.242 36.190 23.155 1.00 0.00 C ATOM 693 C ARG A 58 35.191 35.326 23.759 1.00 0.00 C ATOM 694 O ARG A 58 34.041 35.735 23.918 1.00 0.00 O ATOM 695 CB ARG A 58 36.623 35.709 21.745 1.00 0.00 C ATOM 696 CG ARG A 58 37.020 36.799 20.746 1.00 0.00 C ATOM 697 CD ARG A 58 35.941 37.852 20.483 1.00 0.00 C ATOM 698 NE ARG A 58 36.381 38.737 19.369 1.00 0.00 N ATOM 699 CZ ARG A 58 36.216 40.093 19.392 1.00 0.00 C ATOM 700 NH1 ARG A 58 36.179 40.797 20.561 1.00 0.00 N ATOM 701 NH2 ARG A 58 36.128 40.769 18.210 1.00 0.00 N ATOM 0 H ARG A 58 38.219 35.821 23.625 1.00 0.00 H new ATOM 0 HA ARG A 58 35.838 37.197 23.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 37.452 35.007 21.834 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.780 35.155 21.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.915 37.300 21.114 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.285 36.326 19.800 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.998 37.368 20.228 1.00 0.00 H new ATOM 0 HD3 ARG A 58 35.764 38.441 21.383 1.00 0.00 H new ATOM 0 HE ARG A 58 36.824 38.313 18.554 1.00 0.00 H new ATOM 0 HH11 ARG A 58 36.276 40.311 21.452 1.00 0.00 H new ATOM 0 HH12 ARG A 58 36.054 41.809 20.543 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.185 40.262 17.327 1.00 0.00 H new ATOM 0 HH22 ARG A 58 36.005 41.782 18.210 1.00 0.00 H new ATOM 715 N ILE A 59 35.557 34.097 24.166 1.00 0.00 N ATOM 716 CA ILE A 59 34.684 33.144 24.778 1.00 0.00 C ATOM 717 C ILE A 59 34.457 33.471 26.215 1.00 0.00 C ATOM 718 O ILE A 59 35.388 33.802 26.946 1.00 0.00 O ATOM 719 CB ILE A 59 35.222 31.750 24.644 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.526 31.458 23.165 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.225 30.741 25.240 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.127 30.075 22.922 1.00 0.00 C ATOM 0 H ILE A 59 36.511 33.751 24.063 1.00 0.00 H new ATOM 0 HA ILE A 59 33.729 33.195 24.256 1.00 0.00 H new ATOM 0 HB ILE A 59 36.153 31.654 25.202 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.605 31.550 22.589 1.00 0.00 H new ATOM 0 HG13 ILE A 59 36.215 32.215 22.789 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.624 29.732 25.138 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.068 30.964 26.295 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.275 30.811 24.709 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.314 29.942 21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.065 29.985 23.469 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.431 29.310 23.267 1.00 0.00 H new ATOM 734 N HIS A 60 33.195 33.408 26.677 1.00 0.00 N ATOM 735 CA HIS A 60 32.834 33.720 28.024 1.00 0.00 C ATOM 736 C HIS A 60 31.681 32.872 28.438 1.00 0.00 C ATOM 737 O HIS A 60 30.924 32.353 27.618 1.00 0.00 O ATOM 738 CB HIS A 60 32.498 35.214 28.168 1.00 0.00 C ATOM 739 CG HIS A 60 32.685 35.762 29.551 1.00 0.00 C ATOM 740 ND1 HIS A 60 31.687 35.895 30.495 1.00 0.00 N ATOM 741 CD2 HIS A 60 33.821 36.208 30.152 1.00 0.00 C ATOM 742 CE1 HIS A 60 32.265 36.403 31.616 1.00 0.00 C ATOM 743 NE2 HIS A 60 33.558 36.604 31.447 1.00 0.00 N ATOM 0 H HIS A 60 32.403 33.132 26.096 1.00 0.00 H new ATOM 0 HA HIS A 60 33.681 33.510 28.678 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.122 35.782 27.478 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.463 35.372 27.865 1.00 0.00 H new ATOM 0 HD2 HIS A 60 34.792 36.247 29.681 1.00 0.00 H new ATOM 0 HE1 HIS A 60 31.732 36.616 32.531 1.00 0.00 H new ATOM 0 HE2 HIS A 60 34.221 36.973 32.128 1.00 0.00 H new ATOM 751 N LYS A 61 31.487 32.652 29.750 1.00 0.00 N ATOM 752 CA LYS A 61 30.473 31.749 30.201 1.00 0.00 C ATOM 753 C LYS A 61 29.081 32.187 29.899 1.00 0.00 C ATOM 754 O LYS A 61 28.673 33.313 30.180 1.00 0.00 O ATOM 755 CB LYS A 61 30.676 31.334 31.668 1.00 0.00 C ATOM 756 CG LYS A 61 30.160 32.276 32.757 1.00 0.00 C ATOM 757 CD LYS A 61 30.634 31.811 34.136 1.00 0.00 C ATOM 758 CE LYS A 61 29.768 32.238 35.322 1.00 0.00 C ATOM 759 NZ LYS A 61 29.688 33.709 35.456 1.00 0.00 N ATOM 0 H LYS A 61 32.027 33.095 30.494 1.00 0.00 H new ATOM 0 HA LYS A 61 30.601 30.848 29.601 1.00 0.00 H new ATOM 0 HB2 LYS A 61 30.198 30.365 31.810 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.744 31.189 31.830 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.513 33.289 32.567 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.071 32.308 32.732 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.695 30.723 34.129 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.645 32.186 34.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.764 31.831 35.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.176 31.813 36.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.091 33.951 36.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.642 34.097 35.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.274 34.114 34.592 1.00 0.00 H new ATOM 773 N GLY A 62 28.305 31.313 29.235 1.00 0.00 N ATOM 774 CA GLY A 62 26.998 31.622 28.745 1.00 0.00 C ATOM 775 C GLY A 62 26.885 31.789 27.268 1.00 0.00 C ATOM 776 O GLY A 62 25.765 31.948 26.784 1.00 0.00 O ATOM 0 H GLY A 62 28.598 30.357 29.032 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.317 30.830 29.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.658 32.541 29.223 1.00 0.00 H new ATOM 780 N ASP A 63 27.972 31.749 26.477 1.00 0.00 N ATOM 781 CA ASP A 63 27.836 31.879 25.058 1.00 0.00 C ATOM 782 C ASP A 63 27.452 30.623 24.355 1.00 0.00 C ATOM 783 O ASP A 63 27.459 29.537 24.933 1.00 0.00 O ATOM 784 CB ASP A 63 28.953 32.712 24.408 1.00 0.00 C ATOM 785 CG ASP A 63 30.348 32.104 24.423 1.00 0.00 C ATOM 786 OD1 ASP A 63 30.510 30.928 24.001 1.00 0.00 O ATOM 787 OD2 ASP A 63 31.297 32.864 24.753 1.00 0.00 O ATOM 0 H ASP A 63 28.928 31.629 26.811 1.00 0.00 H new ATOM 0 HA ASP A 63 26.950 32.495 24.906 1.00 0.00 H new ATOM 0 HB2 ASP A 63 28.676 32.905 23.372 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.996 33.678 24.912 1.00 0.00 H new ATOM 792 N ARG A 64 26.977 30.722 23.101 1.00 0.00 N ATOM 793 CA ARG A 64 26.341 29.660 22.385 1.00 0.00 C ATOM 794 C ARG A 64 27.182 29.208 21.241 1.00 0.00 C ATOM 795 O ARG A 64 27.512 29.971 20.335 1.00 0.00 O ATOM 796 CB ARG A 64 24.981 30.154 21.865 1.00 0.00 C ATOM 797 CG ARG A 64 24.195 29.233 20.930 1.00 0.00 C ATOM 798 CD ARG A 64 23.929 27.817 21.444 1.00 0.00 C ATOM 799 NE ARG A 64 22.726 27.278 20.752 1.00 0.00 N ATOM 800 CZ ARG A 64 22.720 26.736 19.499 1.00 0.00 C ATOM 801 NH1 ARG A 64 23.842 26.653 18.724 1.00 0.00 N ATOM 802 NH2 ARG A 64 21.558 26.205 19.021 1.00 0.00 N ATOM 0 H ARG A 64 27.039 31.585 22.560 1.00 0.00 H new ATOM 0 HA ARG A 64 26.202 28.814 23.058 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.352 30.370 22.728 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.145 31.098 21.345 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.237 29.704 20.711 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.736 29.159 19.987 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.792 27.178 21.256 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.771 27.830 22.522 1.00 0.00 H new ATOM 0 HE ARG A 64 21.838 27.317 21.253 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.732 27.004 19.076 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.789 26.239 17.793 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.716 26.218 19.597 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.531 25.795 18.087 1.00 0.00 H new ATOM 816 N VAL A 65 27.554 27.916 21.204 1.00 0.00 N ATOM 817 CA VAL A 65 28.468 27.387 20.240 1.00 0.00 C ATOM 818 C VAL A 65 27.736 26.959 19.015 1.00 0.00 C ATOM 819 O VAL A 65 26.678 26.337 19.085 1.00 0.00 O ATOM 820 CB VAL A 65 29.217 26.218 20.807 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.273 25.693 19.819 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.879 26.633 22.132 1.00 0.00 C ATOM 0 H VAL A 65 27.209 27.219 21.864 1.00 0.00 H new ATOM 0 HA VAL A 65 29.179 28.172 19.981 1.00 0.00 H new ATOM 0 HB VAL A 65 28.511 25.408 20.989 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.797 24.846 20.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.784 25.375 18.898 1.00 0.00 H new ATOM 0 HG13 VAL A 65 30.988 26.485 19.596 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.424 25.786 22.547 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.570 27.456 21.951 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.112 26.952 22.838 1.00 0.00 H new ATOM 832 N LEU A 66 28.277 27.289 17.828 1.00 0.00 N ATOM 833 CA LEU A 66 27.756 26.886 16.558 1.00 0.00 C ATOM 834 C LEU A 66 28.558 25.762 15.998 1.00 0.00 C ATOM 835 O LEU A 66 28.013 24.725 15.622 1.00 0.00 O ATOM 836 CB LEU A 66 27.744 28.041 15.543 1.00 0.00 C ATOM 837 CG LEU A 66 26.452 28.876 15.523 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.197 29.656 16.825 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.491 29.839 14.325 1.00 0.00 C ATOM 0 H LEU A 66 29.116 27.863 17.750 1.00 0.00 H new ATOM 0 HA LEU A 66 26.728 26.566 16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.583 28.703 15.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.909 27.631 14.547 1.00 0.00 H new ATOM 0 HG LEU A 66 25.622 28.176 15.428 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.269 30.220 16.735 1.00 0.00 H new ATOM 0 HD12 LEU A 66 26.118 28.958 17.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 27.024 30.343 17.005 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.577 30.433 14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.352 30.500 14.418 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.571 29.267 13.401 1.00 0.00 H new ATOM 851 N ALA A 67 29.891 25.914 15.902 1.00 0.00 N ATOM 852 CA ALA A 67 30.695 24.988 15.167 1.00 0.00 C ATOM 853 C ALA A 67 32.072 24.873 15.723 1.00 0.00 C ATOM 854 O ALA A 67 32.633 25.829 16.256 1.00 0.00 O ATOM 855 CB ALA A 67 30.794 25.397 13.687 1.00 0.00 C ATOM 0 H ALA A 67 30.412 26.678 16.333 1.00 0.00 H new ATOM 0 HA ALA A 67 30.201 24.020 15.253 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.411 24.676 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.797 25.419 13.248 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.245 26.387 13.612 1.00 0.00 H new ATOM 861 N VAL A 68 32.663 23.670 15.618 1.00 0.00 N ATOM 862 CA VAL A 68 34.003 23.394 16.031 1.00 0.00 C ATOM 863 C VAL A 68 34.754 22.875 14.852 1.00 0.00 C ATOM 864 O VAL A 68 34.445 21.816 14.310 1.00 0.00 O ATOM 865 CB VAL A 68 34.092 22.385 17.138 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.557 22.147 17.544 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.286 22.857 18.360 1.00 0.00 C ATOM 0 H VAL A 68 32.187 22.856 15.229 1.00 0.00 H new ATOM 0 HA VAL A 68 34.424 24.323 16.415 1.00 0.00 H new ATOM 0 HB VAL A 68 33.673 21.447 16.773 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.597 21.412 18.348 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.117 21.776 16.685 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.996 23.084 17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.361 22.114 19.154 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.685 23.808 18.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.240 22.984 18.079 1.00 0.00 H new ATOM 877 N ASN A 69 35.785 23.608 14.395 1.00 0.00 N ATOM 878 CA ASN A 69 36.776 23.190 13.453 1.00 0.00 C ATOM 879 C ASN A 69 36.254 22.830 12.106 1.00 0.00 C ATOM 880 O ASN A 69 36.725 21.899 11.455 1.00 0.00 O ATOM 881 CB ASN A 69 37.633 22.083 14.091 1.00 0.00 C ATOM 882 CG ASN A 69 39.069 22.077 13.586 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.508 22.937 12.824 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.849 21.094 14.107 1.00 0.00 N ATOM 0 H ASN A 69 35.936 24.567 14.709 1.00 0.00 H new ATOM 0 HA ASN A 69 37.404 24.054 13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.635 22.211 15.173 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.177 21.114 13.885 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.840 21.050 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.444 20.400 14.736 1.00 0.00 H new ATOM 891 N GLY A 70 35.239 23.570 11.625 1.00 0.00 N ATOM 892 CA GLY A 70 34.561 23.312 10.393 1.00 0.00 C ATOM 893 C GLY A 70 33.291 22.549 10.551 1.00 0.00 C ATOM 894 O GLY A 70 32.469 22.519 9.637 1.00 0.00 O ATOM 0 H GLY A 70 34.875 24.385 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.344 24.261 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.227 22.757 9.732 1.00 0.00 H new ATOM 898 N VAL A 71 33.078 21.887 11.702 1.00 0.00 N ATOM 899 CA VAL A 71 31.950 21.041 11.943 1.00 0.00 C ATOM 900 C VAL A 71 30.867 21.782 12.646 1.00 0.00 C ATOM 901 O VAL A 71 30.996 22.145 13.815 1.00 0.00 O ATOM 902 CB VAL A 71 32.309 19.806 12.715 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.083 18.907 12.943 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.401 19.028 11.962 1.00 0.00 C ATOM 0 H VAL A 71 33.716 21.943 12.496 1.00 0.00 H new ATOM 0 HA VAL A 71 31.591 20.723 10.964 1.00 0.00 H new ATOM 0 HB VAL A 71 32.682 20.111 13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.380 18.022 13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.328 19.457 13.505 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.670 18.604 11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.661 18.131 12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.032 18.745 10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.285 19.656 11.852 1.00 0.00 H new ATOM 914 N SER A 72 29.725 22.010 11.972 1.00 0.00 N ATOM 915 CA SER A 72 28.537 22.541 12.565 1.00 0.00 C ATOM 916 C SER A 72 27.925 21.533 13.475 1.00 0.00 C ATOM 917 O SER A 72 27.617 20.415 13.065 1.00 0.00 O ATOM 918 CB SER A 72 27.481 22.942 11.522 1.00 0.00 C ATOM 919 OG SER A 72 27.861 24.148 10.875 1.00 0.00 O ATOM 0 H SER A 72 29.626 21.817 10.975 1.00 0.00 H new ATOM 0 HA SER A 72 28.840 23.434 13.112 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.367 22.147 10.786 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.513 23.070 12.006 1.00 0.00 H new ATOM 0 HG SER A 72 27.182 24.392 10.212 1.00 0.00 H new ATOM 925 N LEU A 73 27.752 21.870 14.766 1.00 0.00 N ATOM 926 CA LEU A 73 27.391 20.916 15.768 1.00 0.00 C ATOM 927 C LEU A 73 25.977 20.453 15.690 1.00 0.00 C ATOM 928 O LEU A 73 25.684 19.295 15.980 1.00 0.00 O ATOM 929 CB LEU A 73 27.646 21.466 17.180 1.00 0.00 C ATOM 930 CG LEU A 73 29.112 21.816 17.489 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.225 22.356 18.925 1.00 0.00 C ATOM 932 CD2 LEU A 73 30.068 20.625 17.307 1.00 0.00 C ATOM 0 H LEU A 73 27.865 22.820 15.120 1.00 0.00 H new ATOM 0 HA LEU A 73 28.030 20.056 15.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.038 22.360 17.320 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.303 20.730 17.907 1.00 0.00 H new ATOM 0 HG LEU A 73 29.414 22.578 16.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.265 22.603 19.140 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.611 23.251 19.027 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.879 21.597 19.627 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.086 20.937 17.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.774 19.817 17.976 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.023 20.276 16.275 1.00 0.00 H new ATOM 944 N GLU A 74 25.059 21.349 15.282 1.00 0.00 N ATOM 945 CA GLU A 74 23.633 21.257 15.217 1.00 0.00 C ATOM 946 C GLU A 74 22.934 19.964 15.453 1.00 0.00 C ATOM 947 O GLU A 74 22.725 19.142 14.562 1.00 0.00 O ATOM 948 CB GLU A 74 23.196 21.859 13.870 1.00 0.00 C ATOM 949 CG GLU A 74 21.733 22.309 13.855 1.00 0.00 C ATOM 950 CD GLU A 74 21.321 22.888 12.508 1.00 0.00 C ATOM 951 OE1 GLU A 74 21.436 22.167 11.482 1.00 0.00 O ATOM 952 OE2 GLU A 74 20.815 24.041 12.478 1.00 0.00 O ATOM 0 H GLU A 74 25.367 22.264 14.953 1.00 0.00 H new ATOM 0 HA GLU A 74 23.311 21.803 16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.834 22.712 13.637 1.00 0.00 H new ATOM 0 HB3 GLU A 74 23.350 21.121 13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.092 21.461 14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.577 23.057 14.633 1.00 0.00 H new ATOM 959 N GLY A 75 22.526 19.749 16.717 1.00 0.00 N ATOM 960 CA GLY A 75 21.825 18.588 17.169 1.00 0.00 C ATOM 961 C GLY A 75 22.732 17.640 17.877 1.00 0.00 C ATOM 962 O GLY A 75 22.445 16.448 17.975 1.00 0.00 O ATOM 0 H GLY A 75 22.695 20.423 17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.017 18.887 17.837 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.365 18.086 16.318 1.00 0.00 H new ATOM 966 N ALA A 76 23.879 18.142 18.367 1.00 0.00 N ATOM 967 CA ALA A 76 24.823 17.417 19.159 1.00 0.00 C ATOM 968 C ALA A 76 24.406 17.118 20.558 1.00 0.00 C ATOM 969 O ALA A 76 23.483 17.716 21.108 1.00 0.00 O ATOM 970 CB ALA A 76 26.160 18.178 19.177 1.00 0.00 C ATOM 0 H ALA A 76 24.163 19.107 18.201 1.00 0.00 H new ATOM 0 HA ALA A 76 24.909 16.443 18.677 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.883 17.629 19.780 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.537 18.276 18.159 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.009 19.169 19.605 1.00 0.00 H new ATOM 976 N THR A 77 25.103 16.182 21.226 1.00 0.00 N ATOM 977 CA THR A 77 25.099 16.029 22.648 1.00 0.00 C ATOM 978 C THR A 77 26.216 16.791 23.273 1.00 0.00 C ATOM 979 O THR A 77 27.117 17.282 22.594 1.00 0.00 O ATOM 980 CB THR A 77 25.155 14.614 23.143 1.00 0.00 C ATOM 981 OG1 THR A 77 26.116 13.827 22.453 1.00 0.00 O ATOM 982 CG2 THR A 77 23.776 13.957 22.964 1.00 0.00 C ATOM 0 H THR A 77 25.697 15.501 20.753 1.00 0.00 H new ATOM 0 HA THR A 77 24.130 16.427 22.948 1.00 0.00 H new ATOM 0 HB THR A 77 25.445 14.657 24.193 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.113 12.916 22.815 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.814 12.928 23.323 1.00 0.00 H new ATOM 0 HG22 THR A 77 23.031 14.513 23.534 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.504 13.963 21.908 1.00 0.00 H new ATOM 990 N HIS A 78 26.217 16.901 24.613 1.00 0.00 N ATOM 991 CA HIS A 78 27.284 17.406 25.420 1.00 0.00 C ATOM 992 C HIS A 78 28.595 16.761 25.128 1.00 0.00 C ATOM 993 O HIS A 78 29.560 17.431 24.766 1.00 0.00 O ATOM 994 CB HIS A 78 26.899 17.279 26.903 1.00 0.00 C ATOM 995 CG HIS A 78 27.991 17.159 27.924 1.00 0.00 C ATOM 996 ND1 HIS A 78 28.011 16.145 28.859 1.00 0.00 N ATOM 997 CD2 HIS A 78 29.073 17.934 28.205 1.00 0.00 C ATOM 998 CE1 HIS A 78 29.099 16.351 29.650 1.00 0.00 C ATOM 999 NE2 HIS A 78 29.772 17.425 29.281 1.00 0.00 N ATOM 0 H HIS A 78 25.413 16.616 25.172 1.00 0.00 H new ATOM 0 HA HIS A 78 27.425 18.458 25.173 1.00 0.00 H new ATOM 0 HB2 HIS A 78 26.297 18.150 27.164 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.255 16.405 27.003 1.00 0.00 H new ATOM 0 HD2 HIS A 78 29.348 18.826 27.661 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.377 15.715 30.477 1.00 0.00 H new ATOM 0 HE2 HIS A 78 30.624 17.798 29.700 1.00 0.00 H new ATOM 1007 N LYS A 79 28.684 15.422 25.232 1.00 0.00 N ATOM 1008 CA LYS A 79 29.842 14.666 24.868 1.00 0.00 C ATOM 1009 C LYS A 79 30.325 14.828 23.467 1.00 0.00 C ATOM 1010 O LYS A 79 31.537 14.856 23.264 1.00 0.00 O ATOM 1011 CB LYS A 79 29.715 13.182 25.251 1.00 0.00 C ATOM 1012 CG LYS A 79 29.879 12.953 26.755 1.00 0.00 C ATOM 1013 CD LYS A 79 31.330 12.920 27.239 1.00 0.00 C ATOM 1014 CE LYS A 79 32.061 11.591 27.041 1.00 0.00 C ATOM 1015 NZ LYS A 79 31.611 10.577 28.021 1.00 0.00 N ATOM 0 H LYS A 79 27.920 14.845 25.583 1.00 0.00 H new ATOM 0 HA LYS A 79 30.628 15.119 25.472 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.741 12.809 24.933 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.468 12.605 24.714 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.349 13.742 27.289 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.400 12.011 27.020 1.00 0.00 H new ATOM 0 HD2 LYS A 79 31.886 13.701 26.720 1.00 0.00 H new ATOM 0 HD3 LYS A 79 31.346 13.169 28.300 1.00 0.00 H new ATOM 0 HE2 LYS A 79 31.886 11.225 26.029 1.00 0.00 H new ATOM 0 HE3 LYS A 79 33.135 11.746 27.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 32.125 9.687 27.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.801 10.918 28.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.590 10.413 27.907 1.00 0.00 H new ATOM 1029 N GLN A 80 29.461 14.987 22.448 1.00 0.00 N ATOM 1030 CA GLN A 80 29.878 15.230 21.102 1.00 0.00 C ATOM 1031 C GLN A 80 30.767 16.417 20.953 1.00 0.00 C ATOM 1032 O GLN A 80 31.824 16.340 20.328 1.00 0.00 O ATOM 1033 CB GLN A 80 28.690 15.469 20.156 1.00 0.00 C ATOM 1034 CG GLN A 80 27.946 14.226 19.662 1.00 0.00 C ATOM 1035 CD GLN A 80 28.683 13.504 18.542 1.00 0.00 C ATOM 1036 OE1 GLN A 80 28.735 13.970 17.406 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.245 12.307 18.862 1.00 0.00 N ATOM 0 H GLN A 80 28.448 14.946 22.563 1.00 0.00 H new ATOM 0 HA GLN A 80 30.421 14.322 20.840 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.974 16.115 20.665 1.00 0.00 H new ATOM 0 HB3 GLN A 80 29.052 16.017 19.286 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.800 13.540 20.496 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.956 14.516 19.311 1.00 0.00 H new ATOM 0 HE21 GLN A 80 29.181 11.953 19.816 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.730 11.764 18.148 1.00 0.00 H new ATOM 1046 N ALA A 81 30.380 17.562 21.543 1.00 0.00 N ATOM 1047 CA ALA A 81 31.143 18.772 21.528 1.00 0.00 C ATOM 1048 C ALA A 81 32.438 18.660 22.256 1.00 0.00 C ATOM 1049 O ALA A 81 33.470 19.096 21.748 1.00 0.00 O ATOM 1050 CB ALA A 81 30.295 19.903 22.134 1.00 0.00 C ATOM 0 H ALA A 81 29.500 17.649 22.051 1.00 0.00 H new ATOM 0 HA ALA A 81 31.394 18.988 20.489 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.867 20.831 22.127 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.387 20.033 21.545 1.00 0.00 H new ATOM 0 HB3 ALA A 81 30.029 19.648 23.160 1.00 0.00 H new ATOM 1056 N VAL A 82 32.468 18.016 23.435 1.00 0.00 N ATOM 1057 CA VAL A 82 33.647 17.811 24.219 1.00 0.00 C ATOM 1058 C VAL A 82 34.615 16.922 23.517 1.00 0.00 C ATOM 1059 O VAL A 82 35.803 17.220 23.418 1.00 0.00 O ATOM 1060 CB VAL A 82 33.346 17.252 25.578 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.640 16.981 26.364 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.492 18.265 26.360 1.00 0.00 C ATOM 0 H VAL A 82 31.631 17.619 23.863 1.00 0.00 H new ATOM 0 HA VAL A 82 34.094 18.796 24.354 1.00 0.00 H new ATOM 0 HB VAL A 82 32.810 16.311 25.453 1.00 0.00 H new ATOM 0 HG11 VAL A 82 34.392 16.576 27.345 1.00 0.00 H new ATOM 0 HG12 VAL A 82 35.253 16.262 25.820 1.00 0.00 H new ATOM 0 HG13 VAL A 82 35.194 17.912 26.485 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.269 17.866 27.349 1.00 0.00 H new ATOM 0 HG22 VAL A 82 33.041 19.201 26.462 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.561 18.447 25.824 1.00 0.00 H new ATOM 1072 N GLU A 83 34.137 15.802 22.944 1.00 0.00 N ATOM 1073 CA GLU A 83 34.943 14.886 22.200 1.00 0.00 C ATOM 1074 C GLU A 83 35.546 15.502 20.984 1.00 0.00 C ATOM 1075 O GLU A 83 36.717 15.294 20.669 1.00 0.00 O ATOM 1076 CB GLU A 83 34.164 13.617 21.815 1.00 0.00 C ATOM 1077 CG GLU A 83 33.888 12.693 23.003 1.00 0.00 C ATOM 1078 CD GLU A 83 33.152 11.414 22.635 1.00 0.00 C ATOM 1079 OE1 GLU A 83 32.688 11.250 21.475 1.00 0.00 O ATOM 1080 OE2 GLU A 83 33.067 10.508 23.507 1.00 0.00 O ATOM 0 H GLU A 83 33.157 15.526 23.001 1.00 0.00 H new ATOM 0 HA GLU A 83 35.758 14.606 22.867 1.00 0.00 H new ATOM 0 HB2 GLU A 83 33.216 13.905 21.360 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.727 13.068 21.060 1.00 0.00 H new ATOM 0 HG2 GLU A 83 34.835 12.432 23.475 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.302 13.237 23.744 1.00 0.00 H new ATOM 1087 N THR A 84 34.768 16.340 20.276 1.00 0.00 N ATOM 1088 CA THR A 84 35.140 17.115 19.134 1.00 0.00 C ATOM 1089 C THR A 84 36.148 18.169 19.440 1.00 0.00 C ATOM 1090 O THR A 84 37.107 18.360 18.693 1.00 0.00 O ATOM 1091 CB THR A 84 33.922 17.730 18.510 1.00 0.00 C ATOM 1092 OG1 THR A 84 33.078 16.702 18.010 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.218 18.654 17.317 1.00 0.00 C ATOM 0 H THR A 84 33.790 16.487 20.528 1.00 0.00 H new ATOM 0 HA THR A 84 35.612 16.428 18.431 1.00 0.00 H new ATOM 0 HB THR A 84 33.465 18.323 19.302 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.385 16.497 18.672 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.283 19.055 16.927 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.857 19.475 17.642 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.724 18.088 16.535 1.00 0.00 H new ATOM 1101 N LEU A 85 36.008 18.890 20.567 1.00 0.00 N ATOM 1102 CA LEU A 85 36.957 19.836 21.066 1.00 0.00 C ATOM 1103 C LEU A 85 38.243 19.213 21.491 1.00 0.00 C ATOM 1104 O LEU A 85 39.319 19.772 21.285 1.00 0.00 O ATOM 1105 CB LEU A 85 36.387 20.625 22.256 1.00 0.00 C ATOM 1106 CG LEU A 85 35.347 21.690 21.865 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.563 22.153 23.105 1.00 0.00 C ATOM 1108 CD2 LEU A 85 36.003 22.896 21.171 1.00 0.00 C ATOM 0 H LEU A 85 35.185 18.807 21.164 1.00 0.00 H new ATOM 0 HA LEU A 85 37.160 20.504 20.229 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.929 19.926 22.956 1.00 0.00 H new ATOM 0 HB3 LEU A 85 37.208 21.111 22.782 1.00 0.00 H new ATOM 0 HG LEU A 85 34.657 21.232 21.156 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.831 22.906 22.813 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.049 21.301 23.549 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.253 22.581 23.833 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.237 23.626 20.910 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.727 23.354 21.845 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.510 22.563 20.266 1.00 0.00 H new ATOM 1120 N ARG A 86 38.209 18.008 22.085 1.00 0.00 N ATOM 1121 CA ARG A 86 39.375 17.237 22.388 1.00 0.00 C ATOM 1122 C ARG A 86 40.064 16.716 21.174 1.00 0.00 C ATOM 1123 O ARG A 86 41.288 16.595 21.150 1.00 0.00 O ATOM 1124 CB ARG A 86 39.026 16.129 23.395 1.00 0.00 C ATOM 1125 CG ARG A 86 38.876 16.660 24.822 1.00 0.00 C ATOM 1126 CD ARG A 86 38.358 15.617 25.815 1.00 0.00 C ATOM 1127 NE ARG A 86 38.315 16.255 27.160 1.00 0.00 N ATOM 1128 CZ ARG A 86 37.574 15.792 28.208 1.00 0.00 C ATOM 1129 NH1 ARG A 86 36.702 14.750 28.071 1.00 0.00 N ATOM 1130 NH2 ARG A 86 37.673 16.393 29.430 1.00 0.00 N ATOM 0 H ARG A 86 37.340 17.554 22.365 1.00 0.00 H new ATOM 0 HA ARG A 86 40.102 17.903 22.854 1.00 0.00 H new ATOM 0 HB2 ARG A 86 38.097 15.646 23.091 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.804 15.366 23.375 1.00 0.00 H new ATOM 0 HG2 ARG A 86 39.842 17.028 25.167 1.00 0.00 H new ATOM 0 HG3 ARG A 86 38.195 17.511 24.814 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.366 15.271 25.524 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.010 14.743 25.827 1.00 0.00 H new ATOM 0 HE ARG A 86 38.877 17.094 27.308 1.00 0.00 H new ATOM 0 HH11 ARG A 86 36.590 14.294 27.165 1.00 0.00 H new ATOM 0 HH12 ARG A 86 36.162 14.427 28.874 1.00 0.00 H new ATOM 0 HH21 ARG A 86 38.300 17.187 29.559 1.00 0.00 H new ATOM 0 HH22 ARG A 86 37.120 16.048 30.214 1.00 0.00 H new ATOM 1144 N ASN A 87 39.338 16.442 20.076 1.00 0.00 N ATOM 1145 CA ASN A 87 39.854 16.025 18.809 1.00 0.00 C ATOM 1146 C ASN A 87 40.275 17.169 17.953 1.00 0.00 C ATOM 1147 O ASN A 87 39.989 17.241 16.759 1.00 0.00 O ATOM 1148 CB ASN A 87 38.795 15.157 18.107 1.00 0.00 C ATOM 1149 CG ASN A 87 39.347 14.297 16.980 1.00 0.00 C ATOM 1150 OD1 ASN A 87 39.018 14.470 15.807 1.00 0.00 O ATOM 1151 ND2 ASN A 87 40.198 13.304 17.350 1.00 0.00 N ATOM 0 H ASN A 87 38.321 16.517 20.074 1.00 0.00 H new ATOM 0 HA ASN A 87 40.758 15.441 18.980 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.323 14.510 18.846 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.016 15.806 17.707 1.00 0.00 H new ATOM 0 HD21 ASN A 87 40.584 12.675 16.646 1.00 0.00 H new ATOM 0 HD22 ASN A 87 40.450 13.188 18.331 1.00 0.00 H new ATOM 1158 N THR A 88 41.013 18.135 18.528 1.00 0.00 N ATOM 1159 CA THR A 88 41.557 19.291 17.886 1.00 0.00 C ATOM 1160 C THR A 88 43.025 19.130 17.694 1.00 0.00 C ATOM 1161 O THR A 88 43.664 18.298 18.336 1.00 0.00 O ATOM 1162 CB THR A 88 41.339 20.552 18.667 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.609 20.363 20.048 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.880 21.018 18.521 1.00 0.00 C ATOM 0 H THR A 88 41.247 18.104 19.520 1.00 0.00 H new ATOM 0 HA THR A 88 41.036 19.377 16.933 1.00 0.00 H new ATOM 0 HB THR A 88 42.023 21.301 18.269 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.897 19.822 20.449 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.732 21.935 19.092 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.662 21.206 17.470 1.00 0.00 H new ATOM 0 HG23 THR A 88 39.211 20.244 18.898 1.00 0.00 H new ATOM 1172 N GLY A 89 43.622 19.957 16.818 1.00 0.00 N ATOM 1173 CA GLY A 89 45.037 20.110 16.679 1.00 0.00 C ATOM 1174 C GLY A 89 45.490 21.335 17.395 1.00 0.00 C ATOM 1175 O GLY A 89 44.969 21.677 18.455 1.00 0.00 O ATOM 0 H GLY A 89 43.093 20.547 16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.547 19.234 17.081 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.302 20.177 15.624 1.00 0.00 H new ATOM 1179 N GLN A 90 46.493 22.047 16.850 1.00 0.00 N ATOM 1180 CA GLN A 90 47.037 23.240 17.420 1.00 0.00 C ATOM 1181 C GLN A 90 46.121 24.412 17.341 1.00 0.00 C ATOM 1182 O GLN A 90 45.747 25.000 18.354 1.00 0.00 O ATOM 1183 CB GLN A 90 48.375 23.586 16.745 1.00 0.00 C ATOM 1184 CG GLN A 90 49.180 24.685 17.443 1.00 0.00 C ATOM 1185 CD GLN A 90 49.916 24.157 18.666 1.00 0.00 C ATOM 1186 OE1 GLN A 90 50.430 23.040 18.668 1.00 0.00 O ATOM 1187 NE2 GLN A 90 50.013 25.000 19.730 1.00 0.00 N ATOM 0 H GLN A 90 46.944 21.780 15.975 1.00 0.00 H new ATOM 0 HA GLN A 90 47.186 23.029 18.479 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.985 22.684 16.695 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.179 23.895 15.718 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.898 25.110 16.742 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.511 25.492 17.742 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.574 25.920 19.694 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.525 24.712 20.564 1.00 0.00 H new ATOM 1196 N VAL A 91 45.754 24.815 16.112 1.00 0.00 N ATOM 1197 CA VAL A 91 44.961 25.974 15.841 1.00 0.00 C ATOM 1198 C VAL A 91 43.543 25.564 15.639 1.00 0.00 C ATOM 1199 O VAL A 91 43.194 24.770 14.767 1.00 0.00 O ATOM 1200 CB VAL A 91 45.439 26.768 14.662 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.637 28.074 14.527 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.928 27.106 14.851 1.00 0.00 C ATOM 0 H VAL A 91 46.023 24.309 15.268 1.00 0.00 H new ATOM 0 HA VAL A 91 45.054 26.631 16.706 1.00 0.00 H new ATOM 0 HB VAL A 91 45.298 26.175 13.758 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.999 28.636 13.666 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.581 27.840 14.390 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.762 28.673 15.429 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.281 27.683 13.997 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.056 27.691 15.762 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.504 26.184 14.928 1.00 0.00 H new ATOM 1212 N VAL A 92 42.650 26.094 16.494 1.00 0.00 N ATOM 1213 CA VAL A 92 41.304 25.653 16.694 1.00 0.00 C ATOM 1214 C VAL A 92 40.365 26.703 16.211 1.00 0.00 C ATOM 1215 O VAL A 92 40.304 27.806 16.752 1.00 0.00 O ATOM 1216 CB VAL A 92 41.118 25.380 18.157 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.659 25.014 18.478 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.014 24.178 18.500 1.00 0.00 C ATOM 0 H VAL A 92 42.887 26.888 17.088 1.00 0.00 H new ATOM 0 HA VAL A 92 41.100 24.741 16.133 1.00 0.00 H new ATOM 0 HB VAL A 92 41.375 26.269 18.734 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.559 24.822 19.546 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.006 25.839 18.195 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.377 24.121 17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.913 23.939 19.559 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.712 23.317 17.904 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.053 24.424 18.281 1.00 0.00 H new ATOM 1228 N HIS A 93 39.584 26.405 15.157 1.00 0.00 N ATOM 1229 CA HIS A 93 38.673 27.340 14.572 1.00 0.00 C ATOM 1230 C HIS A 93 37.293 27.123 15.091 1.00 0.00 C ATOM 1231 O HIS A 93 36.578 26.239 14.622 1.00 0.00 O ATOM 1232 CB HIS A 93 38.605 27.204 13.041 1.00 0.00 C ATOM 1233 CG HIS A 93 39.902 27.385 12.309 1.00 0.00 C ATOM 1234 ND1 HIS A 93 39.949 27.576 10.943 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.199 27.326 12.714 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.262 27.619 10.591 1.00 0.00 C ATOM 1237 NE2 HIS A 93 42.052 27.467 11.638 1.00 0.00 N ATOM 0 H HIS A 93 39.586 25.493 14.701 1.00 0.00 H new ATOM 0 HA HIS A 93 39.045 28.330 14.837 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.209 26.217 12.800 1.00 0.00 H new ATOM 0 HB3 HIS A 93 37.891 27.935 12.662 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.518 27.188 13.737 1.00 0.00 H new ATOM 0 HE1 HIS A 93 41.615 27.760 9.580 1.00 0.00 H new ATOM 0 HE2 HIS A 93 43.072 27.456 11.649 1.00 0.00 H new ATOM 1245 N LEU A 94 36.826 27.906 16.079 1.00 0.00 N ATOM 1246 CA LEU A 94 35.473 27.839 16.540 1.00 0.00 C ATOM 1247 C LEU A 94 34.581 28.812 15.849 1.00 0.00 C ATOM 1248 O LEU A 94 35.025 29.792 15.254 1.00 0.00 O ATOM 1249 CB LEU A 94 35.335 28.080 18.053 1.00 0.00 C ATOM 1250 CG LEU A 94 36.324 27.293 18.929 1.00 0.00 C ATOM 1251 CD1 LEU A 94 35.998 27.541 20.412 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.255 25.780 18.660 1.00 0.00 C ATOM 0 H LEU A 94 37.396 28.597 16.566 1.00 0.00 H new ATOM 0 HA LEU A 94 35.167 26.820 16.305 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.466 29.144 18.250 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.320 27.822 18.356 1.00 0.00 H new ATOM 0 HG LEU A 94 37.328 27.640 18.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.697 26.985 21.036 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.084 28.605 20.630 1.00 0.00 H new ATOM 0 HD13 LEU A 94 34.981 27.209 20.621 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.970 25.264 19.300 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.249 25.418 18.874 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.497 25.585 17.615 1.00 0.00 H new ATOM 1264 N LEU A 95 33.259 28.565 15.897 1.00 0.00 N ATOM 1265 CA LEU A 95 32.246 29.515 15.554 1.00 0.00 C ATOM 1266 C LEU A 95 31.270 29.576 16.677 1.00 0.00 C ATOM 1267 O LEU A 95 30.814 28.542 17.161 1.00 0.00 O ATOM 1268 CB LEU A 95 31.530 29.104 14.257 1.00 0.00 C ATOM 1269 CG LEU A 95 31.241 30.216 13.235 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.246 29.682 12.190 1.00 0.00 C ATOM 1271 CD2 LEU A 95 30.741 31.549 13.817 1.00 0.00 C ATOM 0 H LEU A 95 32.880 27.664 16.188 1.00 0.00 H new ATOM 0 HA LEU A 95 32.699 30.492 15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.133 28.340 13.765 1.00 0.00 H new ATOM 0 HB3 LEU A 95 30.582 28.638 14.527 1.00 0.00 H new ATOM 0 HG LEU A 95 32.203 30.466 12.788 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.033 30.462 11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 95 30.678 28.819 11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 95 29.321 29.387 12.686 1.00 0.00 H new ATOM 0 HD21 LEU A 95 30.570 32.258 13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.809 31.383 14.357 1.00 0.00 H new ATOM 0 HD23 LEU A 95 31.489 31.951 14.500 1.00 0.00 H new ATOM 1283 N LEU A 96 30.891 30.776 17.154 1.00 0.00 N ATOM 1284 CA LEU A 96 29.922 30.904 18.199 1.00 0.00 C ATOM 1285 C LEU A 96 29.108 32.145 18.070 1.00 0.00 C ATOM 1286 O LEU A 96 29.356 33.012 17.234 1.00 0.00 O ATOM 1287 CB LEU A 96 30.577 30.875 19.589 1.00 0.00 C ATOM 1288 CG LEU A 96 31.528 32.051 19.862 1.00 0.00 C ATOM 1289 CD1 LEU A 96 30.975 32.923 21.002 1.00 0.00 C ATOM 1290 CD2 LEU A 96 32.968 31.594 20.152 1.00 0.00 C ATOM 0 H LEU A 96 31.259 31.664 16.813 1.00 0.00 H new ATOM 0 HA LEU A 96 29.261 30.044 18.095 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.794 30.872 20.347 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.130 29.942 19.698 1.00 0.00 H new ATOM 0 HG LEU A 96 31.579 32.650 18.953 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.656 33.754 21.188 1.00 0.00 H new ATOM 0 HD12 LEU A 96 29.996 33.312 20.721 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.880 32.322 21.906 1.00 0.00 H new ATOM 0 HD21 LEU A 96 33.596 32.465 20.337 1.00 0.00 H new ATOM 0 HD22 LEU A 96 32.975 30.948 21.030 1.00 0.00 H new ATOM 0 HD23 LEU A 96 33.355 31.044 19.294 1.00 0.00 H new ATOM 1302 N GLU A 97 28.082 32.256 18.932 1.00 0.00 N ATOM 1303 CA GLU A 97 27.221 33.389 19.078 1.00 0.00 C ATOM 1304 C GLU A 97 27.183 33.796 20.511 1.00 0.00 C ATOM 1305 O GLU A 97 27.276 32.971 21.420 1.00 0.00 O ATOM 1306 CB GLU A 97 25.796 33.022 18.630 1.00 0.00 C ATOM 1307 CG GLU A 97 24.889 34.230 18.390 1.00 0.00 C ATOM 1308 CD GLU A 97 23.527 33.802 17.862 1.00 0.00 C ATOM 1309 OE1 GLU A 97 22.675 33.357 18.677 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.298 33.901 16.627 1.00 0.00 O ATOM 0 H GLU A 97 27.837 31.500 19.572 1.00 0.00 H new ATOM 0 HA GLU A 97 27.599 34.207 18.464 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.854 32.436 17.713 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.341 32.384 19.387 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.763 34.784 19.320 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.361 34.907 17.678 1.00 0.00 H new ATOM 1317 N LYS A 98 27.010 35.100 20.792 1.00 0.00 N ATOM 1318 CA LYS A 98 26.866 35.621 22.115 1.00 0.00 C ATOM 1319 C LYS A 98 25.506 35.349 22.659 1.00 0.00 C ATOM 1320 O LYS A 98 24.500 35.477 21.963 1.00 0.00 O ATOM 1321 CB LYS A 98 27.069 37.144 22.084 1.00 0.00 C ATOM 1322 CG LYS A 98 27.311 37.782 23.453 1.00 0.00 C ATOM 1323 CD LYS A 98 28.721 37.508 23.980 1.00 0.00 C ATOM 1324 CE LYS A 98 28.841 37.702 25.493 1.00 0.00 C ATOM 1325 NZ LYS A 98 30.270 37.764 25.876 1.00 0.00 N ATOM 0 H LYS A 98 26.969 35.819 20.069 1.00 0.00 H new ATOM 0 HA LYS A 98 27.608 35.136 22.749 1.00 0.00 H new ATOM 0 HB2 LYS A 98 27.916 37.371 21.437 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.191 37.605 21.633 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.155 38.858 23.383 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.579 37.399 24.164 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.006 36.487 23.726 1.00 0.00 H new ATOM 0 HD3 LYS A 98 29.426 38.170 23.477 1.00 0.00 H new ATOM 0 HE2 LYS A 98 28.334 38.619 25.793 1.00 0.00 H new ATOM 0 HE3 LYS A 98 28.350 36.881 26.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 30.348 37.896 26.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 30.741 36.878 25.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.726 38.562 25.389 1.00 0.00 H new