USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=16 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+ -177:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -96:sc= 2.38 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.19 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 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000185) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 78 HIS : no HD1:sc=-0.000988 X(o=-0.00099,f=-0.014) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0617) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 87 ASN : amide:sc=-0.00338 K(o=-0.0034,f=-0.91) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HE2:sc= -0.305 K(o=-0.3,f=-2.3!) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= 1.38! (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.795 38.202 19.467 1.00 0.00 N ATOM 45 CA ASP A 12 26.803 38.650 18.556 1.00 0.00 C ATOM 46 C ASP A 12 27.722 37.515 18.264 1.00 0.00 C ATOM 47 O ASP A 12 28.185 36.839 19.181 1.00 0.00 O ATOM 48 CB ASP A 12 27.508 39.827 19.252 1.00 0.00 C ATOM 49 CG ASP A 12 28.220 40.784 18.308 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.208 40.572 17.066 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.791 41.785 18.818 1.00 0.00 O ATOM 0 HA ASP A 12 26.405 38.983 17.597 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.771 40.386 19.828 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.233 39.431 19.962 1.00 0.00 H new ATOM 56 N THR A 13 28.003 37.212 16.984 1.00 0.00 N ATOM 57 CA THR A 13 28.826 36.107 16.598 1.00 0.00 C ATOM 58 C THR A 13 30.249 36.502 16.398 1.00 0.00 C ATOM 59 O THR A 13 30.564 37.580 15.898 1.00 0.00 O ATOM 60 CB THR A 13 28.399 35.376 15.360 1.00 0.00 C ATOM 61 OG1 THR A 13 28.002 36.252 14.315 1.00 0.00 O ATOM 62 CG2 THR A 13 27.196 34.469 15.673 1.00 0.00 C ATOM 0 H THR A 13 27.648 37.751 16.194 1.00 0.00 H new ATOM 0 HA THR A 13 28.709 35.431 17.445 1.00 0.00 H new ATOM 0 HB THR A 13 29.266 34.802 15.033 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.735 35.727 13.532 1.00 0.00 H new ATOM 0 HG21 THR A 13 26.893 33.942 14.768 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.476 33.745 16.438 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.366 35.077 16.034 1.00 0.00 H new ATOM 70 N PHE A 14 31.188 35.608 16.754 1.00 0.00 N ATOM 71 CA PHE A 14 32.589 35.826 16.569 1.00 0.00 C ATOM 72 C PHE A 14 33.227 34.508 16.294 1.00 0.00 C ATOM 73 O PHE A 14 32.871 33.469 16.846 1.00 0.00 O ATOM 74 CB PHE A 14 33.282 36.565 17.727 1.00 0.00 C ATOM 75 CG PHE A 14 32.790 36.143 19.068 1.00 0.00 C ATOM 76 CD1 PHE A 14 33.381 35.079 19.707 1.00 0.00 C ATOM 77 CD2 PHE A 14 31.769 36.818 19.695 1.00 0.00 C ATOM 78 CE1 PHE A 14 32.976 34.699 20.964 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.335 36.423 20.939 1.00 0.00 C ATOM 80 CZ PHE A 14 31.941 35.367 21.576 1.00 0.00 C ATOM 0 H PHE A 14 30.967 34.709 17.182 1.00 0.00 H new ATOM 0 HA PHE A 14 32.712 36.502 15.723 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.356 36.391 17.670 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.126 37.637 17.611 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.174 34.535 19.215 1.00 0.00 H new ATOM 0 HD2 PHE A 14 31.305 37.663 19.208 1.00 0.00 H new ATOM 0 HE1 PHE A 14 33.468 33.880 21.469 1.00 0.00 H new ATOM 0 HE2 PHE A 14 30.517 36.943 21.415 1.00 0.00 H new ATOM 0 HZ PHE A 14 31.605 35.062 22.556 1.00 0.00 H new ATOM 90 N GLU A 15 34.196 34.500 15.360 1.00 0.00 N ATOM 91 CA GLU A 15 34.950 33.343 14.989 1.00 0.00 C ATOM 92 C GLU A 15 36.272 33.361 15.677 1.00 0.00 C ATOM 93 O GLU A 15 37.015 34.341 15.642 1.00 0.00 O ATOM 94 CB GLU A 15 35.139 33.188 13.470 1.00 0.00 C ATOM 95 CG GLU A 15 33.932 33.575 12.614 1.00 0.00 C ATOM 96 CD GLU A 15 33.902 35.058 12.273 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.776 35.527 11.496 1.00 0.00 O ATOM 98 OE2 GLU A 15 33.000 35.789 12.762 1.00 0.00 O ATOM 0 H GLU A 15 34.465 35.336 14.842 1.00 0.00 H new ATOM 0 HA GLU A 15 34.370 32.477 15.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.990 33.796 13.163 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.396 32.150 13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.946 32.995 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.017 33.310 13.144 1.00 0.00 H new ATOM 105 N VAL A 16 36.604 32.259 16.374 1.00 0.00 N ATOM 106 CA VAL A 16 37.729 32.158 17.250 1.00 0.00 C ATOM 107 C VAL A 16 38.661 31.133 16.701 1.00 0.00 C ATOM 108 O VAL A 16 38.537 29.940 16.975 1.00 0.00 O ATOM 109 CB VAL A 16 37.265 31.856 18.645 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.378 31.417 19.612 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.603 33.124 19.208 1.00 0.00 C ATOM 0 H VAL A 16 36.061 31.397 16.324 1.00 0.00 H new ATOM 0 HA VAL A 16 38.272 33.101 17.310 1.00 0.00 H new ATOM 0 HB VAL A 16 36.579 31.012 18.571 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.950 31.221 20.595 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.851 30.510 19.235 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.123 32.209 19.693 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.255 32.933 20.223 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.328 33.938 19.220 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.756 33.401 18.581 1.00 0.00 H new ATOM 121 N GLU A 17 39.655 31.559 15.901 1.00 0.00 N ATOM 122 CA GLU A 17 40.750 30.735 15.496 1.00 0.00 C ATOM 123 C GLU A 17 41.833 30.884 16.510 1.00 0.00 C ATOM 124 O GLU A 17 42.538 31.887 16.600 1.00 0.00 O ATOM 125 CB GLU A 17 41.304 31.037 14.093 1.00 0.00 C ATOM 126 CG GLU A 17 40.506 30.359 12.977 1.00 0.00 C ATOM 127 CD GLU A 17 41.184 30.511 11.623 1.00 0.00 C ATOM 128 OE1 GLU A 17 41.191 31.641 11.066 1.00 0.00 O ATOM 129 OE2 GLU A 17 41.703 29.495 11.088 1.00 0.00 O ATOM 0 H GLU A 17 39.698 32.506 15.525 1.00 0.00 H new ATOM 0 HA GLU A 17 40.375 29.713 15.436 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.301 32.115 13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.342 30.710 14.040 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.387 29.300 13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.506 30.790 12.933 1.00 0.00 H new ATOM 136 N LEU A 18 41.957 29.850 17.360 1.00 0.00 N ATOM 137 CA LEU A 18 42.702 29.870 18.581 1.00 0.00 C ATOM 138 C LEU A 18 43.745 28.806 18.532 1.00 0.00 C ATOM 139 O LEU A 18 43.538 27.727 17.981 1.00 0.00 O ATOM 140 CB LEU A 18 41.725 29.539 19.722 1.00 0.00 C ATOM 141 CG LEU A 18 42.228 29.681 21.168 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.302 31.152 21.611 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.270 28.892 22.076 1.00 0.00 C ATOM 0 H LEU A 18 41.512 28.949 17.185 1.00 0.00 H new ATOM 0 HA LEU A 18 43.172 30.842 18.730 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.850 30.179 19.609 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.388 28.511 19.585 1.00 0.00 H new ATOM 0 HG LEU A 18 43.242 29.287 21.238 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.662 31.205 22.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 42.986 31.695 20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.310 31.601 21.551 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.601 28.973 23.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.263 29.299 21.984 1.00 0.00 H new ATOM 0 HD23 LEU A 18 41.266 27.844 21.777 1.00 0.00 H new ATOM 155 N ALA A 19 44.923 29.075 19.123 1.00 0.00 N ATOM 156 CA ALA A 19 45.972 28.124 19.315 1.00 0.00 C ATOM 157 C ALA A 19 45.954 27.648 20.727 1.00 0.00 C ATOM 158 O ALA A 19 46.081 28.425 21.671 1.00 0.00 O ATOM 159 CB ALA A 19 47.340 28.721 18.940 1.00 0.00 C ATOM 0 H ALA A 19 45.154 30.001 19.484 1.00 0.00 H new ATOM 0 HA ALA A 19 45.807 27.273 18.655 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.118 27.974 19.097 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.331 29.022 17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.541 29.591 19.565 1.00 0.00 H new ATOM 165 N LYS A 20 45.774 26.329 20.917 1.00 0.00 N ATOM 166 CA LYS A 20 45.708 25.681 22.190 1.00 0.00 C ATOM 167 C LYS A 20 47.023 25.672 22.892 1.00 0.00 C ATOM 168 O LYS A 20 48.043 25.272 22.334 1.00 0.00 O ATOM 169 CB LYS A 20 45.245 24.234 21.954 1.00 0.00 C ATOM 170 CG LYS A 20 45.008 23.392 23.210 1.00 0.00 C ATOM 171 CD LYS A 20 44.739 21.918 22.900 1.00 0.00 C ATOM 172 CE LYS A 20 43.450 21.675 22.111 1.00 0.00 C ATOM 173 NZ LYS A 20 43.262 20.230 21.863 1.00 0.00 N ATOM 0 H LYS A 20 45.669 25.679 20.138 1.00 0.00 H new ATOM 0 HA LYS A 20 45.012 26.229 22.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 44.320 24.259 21.378 1.00 0.00 H new ATOM 0 HB3 LYS A 20 45.991 23.731 21.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 45.879 23.468 23.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.162 23.802 23.761 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.580 21.516 22.335 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.690 21.363 23.837 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.598 22.069 22.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.490 22.211 21.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.411 20.085 21.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.091 19.853 21.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.152 19.734 22.770 1.00 0.00 H new ATOM 187 N THR A 21 47.050 26.112 24.164 1.00 0.00 N ATOM 188 CA THR A 21 48.254 26.311 24.909 1.00 0.00 C ATOM 189 C THR A 21 48.598 25.091 25.691 1.00 0.00 C ATOM 190 O THR A 21 47.965 24.740 26.685 1.00 0.00 O ATOM 191 CB THR A 21 48.254 27.582 25.706 1.00 0.00 C ATOM 192 OG1 THR A 21 49.508 27.825 26.327 1.00 0.00 O ATOM 193 CG2 THR A 21 47.167 27.645 26.793 1.00 0.00 C ATOM 0 H THR A 21 46.206 26.336 24.690 1.00 0.00 H new ATOM 0 HA THR A 21 49.066 26.459 24.197 1.00 0.00 H new ATOM 0 HB THR A 21 48.040 28.351 24.964 1.00 0.00 H new ATOM 0 HG1 THR A 21 49.465 28.663 26.834 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.236 28.595 27.322 1.00 0.00 H new ATOM 0 HG22 THR A 21 46.184 27.558 26.330 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.310 26.826 27.498 1.00 0.00 H new ATOM 201 N ASP A 22 49.611 24.351 25.202 1.00 0.00 N ATOM 202 CA ASP A 22 50.101 23.083 25.642 1.00 0.00 C ATOM 203 C ASP A 22 49.100 22.133 26.205 1.00 0.00 C ATOM 204 O ASP A 22 49.165 21.717 27.360 1.00 0.00 O ATOM 205 CB ASP A 22 51.334 23.280 26.539 1.00 0.00 C ATOM 206 CG ASP A 22 52.235 22.054 26.553 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.711 21.670 25.451 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.499 21.467 27.636 1.00 0.00 O ATOM 0 H ASP A 22 50.147 24.687 24.402 1.00 0.00 H new ATOM 0 HA ASP A 22 50.396 22.557 24.734 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.902 24.142 26.189 1.00 0.00 H new ATOM 0 HB3 ASP A 22 51.010 23.503 27.556 1.00 0.00 H new ATOM 213 N GLY A 23 48.097 21.750 25.394 1.00 0.00 N ATOM 214 CA GLY A 23 47.090 20.818 25.795 1.00 0.00 C ATOM 215 C GLY A 23 45.873 21.388 26.442 1.00 0.00 C ATOM 216 O GLY A 23 44.900 20.659 26.625 1.00 0.00 O ATOM 0 H GLY A 23 47.984 22.095 24.441 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.777 20.255 24.916 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.541 20.105 26.485 1.00 0.00 H new ATOM 220 N SER A 24 45.839 22.681 26.813 1.00 0.00 N ATOM 221 CA SER A 24 44.699 23.273 27.441 1.00 0.00 C ATOM 222 C SER A 24 44.038 24.266 26.549 1.00 0.00 C ATOM 223 O SER A 24 44.665 25.179 26.014 1.00 0.00 O ATOM 224 CB SER A 24 45.012 23.939 28.792 1.00 0.00 C ATOM 225 OG SER A 24 43.823 24.271 29.495 1.00 0.00 O ATOM 0 H SER A 24 46.617 23.326 26.674 1.00 0.00 H new ATOM 0 HA SER A 24 44.023 22.441 27.635 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.619 23.267 29.398 1.00 0.00 H new ATOM 0 HB3 SER A 24 45.602 24.840 28.627 1.00 0.00 H new ATOM 0 HG SER A 24 44.055 24.691 30.350 1.00 0.00 H new ATOM 231 N LEU A 25 42.718 24.114 26.338 1.00 0.00 N ATOM 232 CA LEU A 25 41.964 24.980 25.486 1.00 0.00 C ATOM 233 C LEU A 25 41.358 26.112 26.240 1.00 0.00 C ATOM 234 O LEU A 25 41.693 27.268 25.987 1.00 0.00 O ATOM 235 CB LEU A 25 40.910 24.193 24.688 1.00 0.00 C ATOM 236 CG LEU A 25 40.362 24.933 23.456 1.00 0.00 C ATOM 237 CD1 LEU A 25 41.414 25.106 22.348 1.00 0.00 C ATOM 238 CD2 LEU A 25 39.143 24.186 22.888 1.00 0.00 C ATOM 0 H LEU A 25 42.163 23.374 26.768 1.00 0.00 H new ATOM 0 HA LEU A 25 42.658 25.419 24.769 1.00 0.00 H new ATOM 0 HB2 LEU A 25 41.348 23.249 24.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.079 23.949 25.350 1.00 0.00 H new ATOM 0 HG LEU A 25 40.073 25.929 23.793 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.970 25.635 21.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 42.257 25.680 22.733 1.00 0.00 H new ATOM 0 HD13 LEU A 25 41.762 24.126 22.020 1.00 0.00 H new ATOM 0 HD21 LEU A 25 38.763 24.719 22.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 39.437 23.178 22.597 1.00 0.00 H new ATOM 0 HD23 LEU A 25 38.363 24.131 23.648 1.00 0.00 H new ATOM 250 N GLY A 26 40.470 25.876 27.223 1.00 0.00 N ATOM 251 CA GLY A 26 40.007 26.901 28.105 1.00 0.00 C ATOM 252 C GLY A 26 38.555 26.844 28.438 1.00 0.00 C ATOM 253 O GLY A 26 38.122 27.550 29.348 1.00 0.00 O ATOM 0 H GLY A 26 40.067 24.957 27.408 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.578 26.846 29.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.222 27.870 27.655 1.00 0.00 H new ATOM 257 N ILE A 27 37.750 26.029 27.735 1.00 0.00 N ATOM 258 CA ILE A 27 36.338 25.910 27.936 1.00 0.00 C ATOM 259 C ILE A 27 35.945 24.647 28.621 1.00 0.00 C ATOM 260 O ILE A 27 36.475 23.569 28.351 1.00 0.00 O ATOM 261 CB ILE A 27 35.593 25.999 26.638 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.244 25.176 25.513 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.465 27.479 26.241 1.00 0.00 C ATOM 264 CD1 ILE A 27 35.387 25.104 24.250 1.00 0.00 C ATOM 0 H ILE A 27 38.099 25.424 26.991 1.00 0.00 H new ATOM 0 HA ILE A 27 36.071 26.745 28.583 1.00 0.00 H new ATOM 0 HB ILE A 27 34.604 25.564 26.784 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.211 25.613 25.264 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.434 24.165 25.874 1.00 0.00 H new ATOM 0 HG21 ILE A 27 34.925 27.557 25.298 1.00 0.00 H new ATOM 0 HG22 ILE A 27 34.921 28.018 27.017 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.459 27.912 26.127 1.00 0.00 H new ATOM 0 HD11 ILE A 27 35.901 24.510 23.495 1.00 0.00 H new ATOM 0 HD12 ILE A 27 34.429 24.640 24.486 1.00 0.00 H new ATOM 0 HD13 ILE A 27 35.218 26.110 23.867 1.00 0.00 H new ATOM 276 N SER A 28 34.954 24.740 29.526 1.00 0.00 N ATOM 277 CA SER A 28 34.160 23.642 29.982 1.00 0.00 C ATOM 278 C SER A 28 32.768 23.865 29.499 1.00 0.00 C ATOM 279 O SER A 28 32.165 24.899 29.781 1.00 0.00 O ATOM 280 CB SER A 28 34.079 23.492 31.511 1.00 0.00 C ATOM 281 OG SER A 28 35.284 22.959 32.039 1.00 0.00 O ATOM 0 H SER A 28 34.694 25.625 29.961 1.00 0.00 H new ATOM 0 HA SER A 28 34.635 22.740 29.596 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.878 24.463 31.964 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.245 22.840 31.771 1.00 0.00 H new ATOM 0 HG SER A 28 35.206 22.876 33.012 1.00 0.00 H new ATOM 287 N VAL A 29 32.206 22.911 28.737 1.00 0.00 N ATOM 288 CA VAL A 29 30.941 23.048 28.085 1.00 0.00 C ATOM 289 C VAL A 29 29.850 22.320 28.792 1.00 0.00 C ATOM 290 O VAL A 29 30.061 21.562 29.737 1.00 0.00 O ATOM 291 CB VAL A 29 30.983 22.663 26.635 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.907 23.635 25.882 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.446 21.211 26.432 1.00 0.00 C ATOM 0 H VAL A 29 32.650 22.008 28.568 1.00 0.00 H new ATOM 0 HA VAL A 29 30.712 24.113 28.130 1.00 0.00 H new ATOM 0 HB VAL A 29 29.971 22.728 26.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.942 23.361 24.828 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.524 24.651 25.980 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.911 23.583 26.304 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.460 20.979 25.367 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.448 21.088 26.844 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.759 20.535 26.941 1.00 0.00 H new ATOM 303 N THR A 30 28.595 22.561 28.370 1.00 0.00 N ATOM 304 CA THR A 30 27.430 21.902 28.875 1.00 0.00 C ATOM 305 C THR A 30 26.375 21.877 27.824 1.00 0.00 C ATOM 306 O THR A 30 26.515 22.508 26.778 1.00 0.00 O ATOM 307 CB THR A 30 26.910 22.546 30.125 1.00 0.00 C ATOM 308 OG1 THR A 30 26.083 21.657 30.863 1.00 0.00 O ATOM 309 CG2 THR A 30 26.146 23.862 29.896 1.00 0.00 C ATOM 0 H THR A 30 28.383 23.246 27.644 1.00 0.00 H new ATOM 0 HA THR A 30 27.711 20.882 29.138 1.00 0.00 H new ATOM 0 HB THR A 30 27.807 22.791 30.693 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.761 22.106 31.673 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.807 24.257 30.854 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.805 24.587 29.418 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.285 23.676 29.254 1.00 0.00 H new ATOM 317 N GLY A 31 25.263 21.159 28.064 1.00 0.00 N ATOM 318 CA GLY A 31 24.099 21.183 27.233 1.00 0.00 C ATOM 319 C GLY A 31 23.921 19.949 26.417 1.00 0.00 C ATOM 320 O GLY A 31 24.171 18.837 26.881 1.00 0.00 O ATOM 0 H GLY A 31 25.171 20.538 28.868 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.219 21.324 27.860 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.157 22.044 26.567 1.00 0.00 H new ATOM 324 N GLY A 32 23.448 20.110 25.168 1.00 0.00 N ATOM 325 CA GLY A 32 23.213 19.043 24.246 1.00 0.00 C ATOM 326 C GLY A 32 21.792 18.592 24.233 1.00 0.00 C ATOM 327 O GLY A 32 21.083 18.668 25.235 1.00 0.00 O ATOM 0 H GLY A 32 23.219 21.027 24.784 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.496 19.366 23.244 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.855 18.200 24.502 1.00 0.00 H new ATOM 331 N VAL A 33 21.316 18.083 23.082 1.00 0.00 N ATOM 332 CA VAL A 33 19.957 17.709 22.845 1.00 0.00 C ATOM 333 C VAL A 33 19.429 16.626 23.721 1.00 0.00 C ATOM 334 O VAL A 33 18.255 16.612 24.089 1.00 0.00 O ATOM 335 CB VAL A 33 19.747 17.432 21.385 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.481 16.168 20.909 1.00 0.00 C ATOM 337 CG2 VAL A 33 18.250 17.360 21.042 1.00 0.00 C ATOM 0 H VAL A 33 21.915 17.924 22.272 1.00 0.00 H new ATOM 0 HA VAL A 33 19.353 18.569 23.135 1.00 0.00 H new ATOM 0 HB VAL A 33 20.184 18.272 20.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.293 16.017 19.846 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.552 16.285 21.076 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.119 15.305 21.468 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.130 17.158 19.978 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.783 16.561 21.618 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.774 18.310 21.287 1.00 0.00 H new ATOM 450 N GLY A 41 21.280 22.518 22.632 1.00 0.00 N ATOM 451 CA GLY A 41 22.243 23.570 22.543 1.00 0.00 C ATOM 452 C GLY A 41 23.435 23.353 23.410 1.00 0.00 C ATOM 453 O GLY A 41 23.318 22.957 24.568 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.569 23.668 21.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.768 24.512 22.819 1.00 0.00 H new ATOM 457 N ILE A 42 24.642 23.624 22.882 1.00 0.00 N ATOM 458 CA ILE A 42 25.887 23.476 23.571 1.00 0.00 C ATOM 459 C ILE A 42 26.341 24.823 24.017 1.00 0.00 C ATOM 460 O ILE A 42 26.495 25.740 23.211 1.00 0.00 O ATOM 461 CB ILE A 42 26.912 22.813 22.700 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.481 21.402 22.267 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.307 22.802 23.348 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.492 20.353 23.378 1.00 0.00 C ATOM 0 H ILE A 42 24.755 23.963 21.927 1.00 0.00 H new ATOM 0 HA ILE A 42 25.753 22.832 24.440 1.00 0.00 H new ATOM 0 HB ILE A 42 26.983 23.418 21.796 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.475 21.458 21.851 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.140 21.067 21.466 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.015 22.312 22.680 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.631 23.826 23.531 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.265 22.260 24.293 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.173 19.392 22.974 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.500 20.261 23.781 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.810 20.657 24.172 1.00 0.00 H new ATOM 476 N TYR A 43 26.551 25.009 25.333 1.00 0.00 N ATOM 477 CA TYR A 43 26.857 26.283 25.905 1.00 0.00 C ATOM 478 C TYR A 43 28.091 26.179 26.731 1.00 0.00 C ATOM 479 O TYR A 43 28.423 25.118 27.258 1.00 0.00 O ATOM 480 CB TYR A 43 25.729 26.817 26.804 1.00 0.00 C ATOM 481 CG TYR A 43 24.533 27.244 26.023 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.594 26.326 25.619 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.318 28.573 25.742 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.466 26.718 24.938 1.00 0.00 C ATOM 485 CE2 TYR A 43 23.186 28.980 25.077 1.00 0.00 C ATOM 486 CZ TYR A 43 22.263 28.050 24.660 1.00 0.00 C ATOM 487 OH TYR A 43 21.112 28.459 23.955 1.00 0.00 O ATOM 0 H TYR A 43 26.507 24.253 26.017 1.00 0.00 H new ATOM 0 HA TYR A 43 26.990 26.974 25.073 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.438 26.044 27.515 1.00 0.00 H new ATOM 0 HB3 TYR A 43 26.100 27.661 27.385 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.744 25.280 25.840 1.00 0.00 H new ATOM 0 HD2 TYR A 43 25.049 29.307 26.048 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.741 25.982 24.622 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.022 30.029 24.882 1.00 0.00 H new ATOM 0 HH TYR A 43 21.125 29.433 23.845 1.00 0.00 H new ATOM 497 N VAL A 44 28.845 27.282 26.884 1.00 0.00 N ATOM 498 CA VAL A 44 29.953 27.366 27.784 1.00 0.00 C ATOM 499 C VAL A 44 29.496 27.504 29.195 1.00 0.00 C ATOM 500 O VAL A 44 28.718 28.399 29.521 1.00 0.00 O ATOM 501 CB VAL A 44 30.914 28.464 27.431 1.00 0.00 C ATOM 502 CG1 VAL A 44 32.120 28.493 28.384 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.421 28.231 25.998 1.00 0.00 C ATOM 0 H VAL A 44 28.678 28.144 26.364 1.00 0.00 H new ATOM 0 HA VAL A 44 30.495 26.426 27.682 1.00 0.00 H new ATOM 0 HB VAL A 44 30.391 29.417 27.516 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.792 29.301 28.096 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.773 28.656 29.405 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.651 27.542 28.328 1.00 0.00 H new ATOM 0 HG21 VAL A 44 32.121 29.021 25.727 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.924 27.266 25.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.578 28.240 25.308 1.00 0.00 H new ATOM 513 N LYS A 45 29.955 26.628 30.108 1.00 0.00 N ATOM 514 CA LYS A 45 29.572 26.661 31.486 1.00 0.00 C ATOM 515 C LYS A 45 30.590 27.334 32.340 1.00 0.00 C ATOM 516 O LYS A 45 30.235 28.093 33.241 1.00 0.00 O ATOM 517 CB LYS A 45 29.280 25.246 32.012 1.00 0.00 C ATOM 518 CG LYS A 45 28.775 25.228 33.457 1.00 0.00 C ATOM 519 CD LYS A 45 28.031 23.951 33.852 1.00 0.00 C ATOM 520 CE LYS A 45 28.853 22.672 33.679 1.00 0.00 C ATOM 521 NZ LYS A 45 28.102 21.485 34.144 1.00 0.00 N ATOM 0 H LYS A 45 30.609 25.878 29.882 1.00 0.00 H new ATOM 0 HA LYS A 45 28.658 27.251 31.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.537 24.773 31.369 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.188 24.647 31.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.624 25.361 34.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.113 26.081 33.608 1.00 0.00 H new ATOM 0 HD2 LYS A 45 27.719 24.032 34.893 1.00 0.00 H new ATOM 0 HD3 LYS A 45 27.124 23.871 33.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 29.121 22.548 32.630 1.00 0.00 H new ATOM 0 HE3 LYS A 45 29.785 22.757 34.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 28.684 20.633 34.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.868 21.595 35.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.225 21.392 33.593 1.00 0.00 H new ATOM 535 N ALA A 46 31.890 27.091 32.099 1.00 0.00 N ATOM 536 CA ALA A 46 32.940 27.695 32.861 1.00 0.00 C ATOM 537 C ALA A 46 34.166 27.882 32.036 1.00 0.00 C ATOM 538 O ALA A 46 34.374 27.179 31.048 1.00 0.00 O ATOM 539 CB ALA A 46 33.276 26.836 34.092 1.00 0.00 C ATOM 0 H ALA A 46 32.219 26.465 31.364 1.00 0.00 H new ATOM 0 HA ALA A 46 32.588 28.673 33.188 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.076 27.311 34.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.392 26.741 34.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.598 25.846 33.768 1.00 0.00 H new ATOM 545 N ILE A 47 35.019 28.851 32.414 1.00 0.00 N ATOM 546 CA ILE A 47 36.237 29.167 31.736 1.00 0.00 C ATOM 547 C ILE A 47 37.421 28.907 32.602 1.00 0.00 C ATOM 548 O ILE A 47 37.508 29.342 33.751 1.00 0.00 O ATOM 549 CB ILE A 47 36.144 30.529 31.113 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.688 30.543 29.675 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.786 31.667 31.925 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.751 29.916 28.644 1.00 0.00 C ATOM 0 H ILE A 47 34.851 29.441 33.229 1.00 0.00 H new ATOM 0 HA ILE A 47 36.394 28.493 30.894 1.00 0.00 H new ATOM 0 HB ILE A 47 35.073 30.733 31.103 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.891 31.574 29.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.640 30.013 29.654 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.665 32.609 31.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.301 31.738 32.898 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.848 31.462 32.063 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.210 29.967 27.657 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.567 28.874 28.906 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.806 30.459 28.633 1.00 0.00 H new ATOM 564 N ILE A 48 38.374 28.091 32.120 1.00 0.00 N ATOM 565 CA ILE A 48 39.474 27.535 32.845 1.00 0.00 C ATOM 566 C ILE A 48 40.608 28.460 33.129 1.00 0.00 C ATOM 567 O ILE A 48 41.166 28.951 32.149 1.00 0.00 O ATOM 568 CB ILE A 48 39.991 26.264 32.240 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.957 25.153 32.491 1.00 0.00 C ATOM 570 CG2 ILE A 48 41.326 25.765 32.816 1.00 0.00 C ATOM 571 CD1 ILE A 48 38.034 24.968 31.288 1.00 0.00 C ATOM 0 H ILE A 48 38.374 27.797 31.143 1.00 0.00 H new ATOM 0 HA ILE A 48 39.022 27.318 33.813 1.00 0.00 H new ATOM 0 HB ILE A 48 40.157 26.487 31.186 1.00 0.00 H new ATOM 0 HG12 ILE A 48 39.472 24.216 32.704 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.364 25.398 33.372 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.616 24.841 32.315 1.00 0.00 H new ATOM 0 HG22 ILE A 48 42.096 26.521 32.658 1.00 0.00 H new ATOM 0 HG23 ILE A 48 41.214 25.579 33.884 1.00 0.00 H new ATOM 0 HD11 ILE A 48 37.316 24.176 31.499 1.00 0.00 H new ATOM 0 HD12 ILE A 48 37.501 25.898 31.092 1.00 0.00 H new ATOM 0 HD13 ILE A 48 38.626 24.698 30.413 1.00 0.00 H new ATOM 583 N PRO A 49 41.065 28.730 34.316 1.00 0.00 N ATOM 584 CA PRO A 49 42.097 29.692 34.573 1.00 0.00 C ATOM 585 C PRO A 49 43.408 29.483 33.896 1.00 0.00 C ATOM 586 O PRO A 49 44.116 28.528 34.210 1.00 0.00 O ATOM 587 CB PRO A 49 42.271 29.684 36.091 1.00 0.00 C ATOM 588 CG PRO A 49 40.874 29.305 36.610 1.00 0.00 C ATOM 589 CD PRO A 49 40.430 28.286 35.548 1.00 0.00 C ATOM 0 HA PRO A 49 41.777 30.645 34.153 1.00 0.00 H new ATOM 0 HB2 PRO A 49 43.025 28.962 36.405 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.587 30.658 36.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.910 28.870 37.609 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.206 30.165 36.661 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.744 27.276 35.813 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.345 28.266 35.448 1.00 0.00 H new ATOM 597 N LYS A 50 43.754 30.390 32.966 1.00 0.00 N ATOM 598 CA LYS A 50 44.920 30.427 32.138 1.00 0.00 C ATOM 599 C LYS A 50 44.854 29.511 30.966 1.00 0.00 C ATOM 600 O LYS A 50 45.874 29.027 30.476 1.00 0.00 O ATOM 601 CB LYS A 50 46.261 30.370 32.888 1.00 0.00 C ATOM 602 CG LYS A 50 46.394 31.493 33.919 1.00 0.00 C ATOM 603 CD LYS A 50 47.795 31.631 34.518 1.00 0.00 C ATOM 604 CE LYS A 50 48.246 30.401 35.308 1.00 0.00 C ATOM 605 NZ LYS A 50 49.460 30.727 36.093 1.00 0.00 N ATOM 0 H LYS A 50 43.146 31.186 32.775 1.00 0.00 H new ATOM 0 HA LYS A 50 44.901 31.435 31.723 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.355 29.406 33.389 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.079 30.438 32.171 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.117 32.437 33.449 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.682 31.317 34.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.508 31.818 33.715 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.817 32.502 35.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 47.448 30.072 35.974 1.00 0.00 H new ATOM 0 HE3 LYS A 50 48.453 29.575 34.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 49.763 29.888 36.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 50.222 31.020 35.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 49.248 31.502 36.754 1.00 0.00 H new ATOM 619 N GLY A 51 43.644 29.295 30.421 1.00 0.00 N ATOM 620 CA GLY A 51 43.465 28.663 29.151 1.00 0.00 C ATOM 621 C GLY A 51 43.579 29.632 28.023 1.00 0.00 C ATOM 622 O GLY A 51 43.424 30.840 28.188 1.00 0.00 O ATOM 0 H GLY A 51 42.770 29.565 30.873 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.210 27.876 29.030 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.487 28.184 29.119 1.00 0.00 H new ATOM 626 N ALA A 52 43.842 29.123 26.806 1.00 0.00 N ATOM 627 CA ALA A 52 43.780 29.844 25.573 1.00 0.00 C ATOM 628 C ALA A 52 42.523 30.619 25.375 1.00 0.00 C ATOM 629 O ALA A 52 42.525 31.841 25.240 1.00 0.00 O ATOM 630 CB ALA A 52 44.086 28.893 24.404 1.00 0.00 C ATOM 0 H ALA A 52 44.114 28.149 26.676 1.00 0.00 H new ATOM 0 HA ALA A 52 44.549 30.615 25.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.038 29.444 23.465 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.084 28.473 24.528 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.353 28.087 24.389 1.00 0.00 H new ATOM 636 N ALA A 53 41.380 29.910 25.360 1.00 0.00 N ATOM 637 CA ALA A 53 40.053 30.406 25.167 1.00 0.00 C ATOM 638 C ALA A 53 39.628 31.344 26.244 1.00 0.00 C ATOM 639 O ALA A 53 39.011 32.381 26.006 1.00 0.00 O ATOM 640 CB ALA A 53 39.037 29.252 25.108 1.00 0.00 C ATOM 0 H ALA A 53 41.388 28.899 25.495 1.00 0.00 H new ATOM 0 HA ALA A 53 40.073 30.946 24.220 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.035 29.656 24.961 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.287 28.590 24.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.068 28.692 26.042 1.00 0.00 H new ATOM 646 N GLU A 54 39.980 30.969 27.486 1.00 0.00 N ATOM 647 CA GLU A 54 39.790 31.738 28.677 1.00 0.00 C ATOM 648 C GLU A 54 40.307 33.134 28.604 1.00 0.00 C ATOM 649 O GLU A 54 39.558 34.109 28.646 1.00 0.00 O ATOM 650 CB GLU A 54 40.456 31.014 29.859 1.00 0.00 C ATOM 651 CG GLU A 54 40.108 31.628 31.216 1.00 0.00 C ATOM 652 CD GLU A 54 41.220 32.294 32.015 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.393 32.351 31.559 1.00 0.00 O ATOM 654 OE2 GLU A 54 40.912 32.754 33.146 1.00 0.00 O ATOM 0 H GLU A 54 40.426 30.070 27.670 1.00 0.00 H new ATOM 0 HA GLU A 54 38.712 31.823 28.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.153 29.967 29.853 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.538 31.033 29.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.325 32.369 31.054 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.679 30.841 31.836 1.00 0.00 H new ATOM 661 N SER A 55 41.641 33.254 28.478 1.00 0.00 N ATOM 662 CA SER A 55 42.333 34.505 28.509 1.00 0.00 C ATOM 663 C SER A 55 42.080 35.372 27.325 1.00 0.00 C ATOM 664 O SER A 55 42.215 36.592 27.410 1.00 0.00 O ATOM 665 CB SER A 55 43.839 34.272 28.715 1.00 0.00 C ATOM 666 OG SER A 55 44.542 35.445 29.098 1.00 0.00 O ATOM 0 H SER A 55 42.259 32.453 28.350 1.00 0.00 H new ATOM 0 HA SER A 55 41.929 35.057 29.357 1.00 0.00 H new ATOM 0 HB2 SER A 55 43.980 33.507 29.478 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.269 33.884 27.792 1.00 0.00 H new ATOM 0 HG SER A 55 45.492 35.234 29.215 1.00 0.00 H new ATOM 672 N ASP A 56 41.673 34.807 26.174 1.00 0.00 N ATOM 673 CA ASP A 56 41.254 35.502 24.997 1.00 0.00 C ATOM 674 C ASP A 56 40.208 36.530 25.268 1.00 0.00 C ATOM 675 O ASP A 56 40.430 37.727 25.097 1.00 0.00 O ATOM 676 CB ASP A 56 40.801 34.497 23.924 1.00 0.00 C ATOM 677 CG ASP A 56 40.532 35.153 22.577 1.00 0.00 C ATOM 678 OD1 ASP A 56 39.426 35.726 22.382 1.00 0.00 O ATOM 679 OD2 ASP A 56 41.446 35.141 21.710 1.00 0.00 O ATOM 0 H ASP A 56 41.635 33.794 26.059 1.00 0.00 H new ATOM 0 HA ASP A 56 42.115 36.054 24.620 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.567 33.731 23.803 1.00 0.00 H new ATOM 0 HB3 ASP A 56 39.897 33.992 24.264 1.00 0.00 H new ATOM 684 N GLY A 57 39.021 36.099 25.728 1.00 0.00 N ATOM 685 CA GLY A 57 38.035 36.985 26.266 1.00 0.00 C ATOM 686 C GLY A 57 36.810 37.133 25.430 1.00 0.00 C ATOM 687 O GLY A 57 35.799 37.654 25.898 1.00 0.00 O ATOM 0 H GLY A 57 38.740 35.118 25.727 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.744 36.627 27.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.486 37.968 26.404 1.00 0.00 H new ATOM 691 N ARG A 58 36.842 36.658 24.172 1.00 0.00 N ATOM 692 CA ARG A 58 35.694 36.514 23.334 1.00 0.00 C ATOM 693 C ARG A 58 34.743 35.515 23.898 1.00 0.00 C ATOM 694 O ARG A 58 33.586 35.825 24.180 1.00 0.00 O ATOM 695 CB ARG A 58 36.131 36.155 21.904 1.00 0.00 C ATOM 696 CG ARG A 58 36.597 37.381 21.116 1.00 0.00 C ATOM 697 CD ARG A 58 37.139 37.094 19.714 1.00 0.00 C ATOM 698 NE ARG A 58 38.400 36.320 19.888 1.00 0.00 N ATOM 699 CZ ARG A 58 39.346 36.164 18.916 1.00 0.00 C ATOM 700 NH1 ARG A 58 39.161 36.597 17.636 1.00 0.00 N ATOM 701 NH2 ARG A 58 40.540 35.586 19.239 1.00 0.00 N ATOM 0 H ARG A 58 37.707 36.361 23.720 1.00 0.00 H new ATOM 0 HA ARG A 58 35.162 37.464 23.292 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.938 35.424 21.946 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.300 35.683 21.380 1.00 0.00 H new ATOM 0 HG2 ARG A 58 35.761 38.075 21.029 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.373 37.887 21.690 1.00 0.00 H new ATOM 0 HD2 ARG A 58 36.415 36.527 19.129 1.00 0.00 H new ATOM 0 HD3 ARG A 58 37.327 38.023 19.175 1.00 0.00 H new ATOM 0 HE ARG A 58 38.567 35.878 20.792 1.00 0.00 H new ATOM 0 HH11 ARG A 58 38.289 37.058 17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 58 39.894 36.460 16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 58 40.715 35.278 20.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 41.257 35.462 18.524 1.00 0.00 H new ATOM 715 N ILE A 59 35.223 34.283 24.143 1.00 0.00 N ATOM 716 CA ILE A 59 34.466 33.204 24.699 1.00 0.00 C ATOM 717 C ILE A 59 34.327 33.359 26.174 1.00 0.00 C ATOM 718 O ILE A 59 35.305 33.558 26.893 1.00 0.00 O ATOM 719 CB ILE A 59 35.096 31.875 24.401 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.314 31.684 22.890 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.214 30.739 24.946 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.256 30.525 22.561 1.00 0.00 C ATOM 0 H ILE A 59 36.190 34.026 23.943 1.00 0.00 H new ATOM 0 HA ILE A 59 33.480 33.235 24.235 1.00 0.00 H new ATOM 0 HB ILE A 59 36.069 31.849 24.891 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.351 31.509 22.409 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.719 32.604 22.468 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.680 29.779 24.725 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.104 30.849 26.025 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.232 30.783 24.475 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.368 30.443 21.480 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.230 30.708 23.014 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.842 29.597 22.954 1.00 0.00 H new ATOM 734 N HIS A 60 33.088 33.277 26.692 1.00 0.00 N ATOM 735 CA HIS A 60 32.816 33.363 28.093 1.00 0.00 C ATOM 736 C HIS A 60 31.668 32.482 28.447 1.00 0.00 C ATOM 737 O HIS A 60 30.993 31.922 27.583 1.00 0.00 O ATOM 738 CB HIS A 60 32.525 34.830 28.454 1.00 0.00 C ATOM 739 CG HIS A 60 32.696 35.158 29.908 1.00 0.00 C ATOM 740 ND1 HIS A 60 31.716 35.727 30.696 1.00 0.00 N ATOM 741 CD2 HIS A 60 33.801 35.062 30.695 1.00 0.00 C ATOM 742 CE1 HIS A 60 32.270 35.937 31.919 1.00 0.00 C ATOM 743 NE2 HIS A 60 33.530 35.546 31.960 1.00 0.00 N ATOM 0 H HIS A 60 32.253 33.147 26.121 1.00 0.00 H new ATOM 0 HA HIS A 60 33.681 33.024 28.663 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.184 35.472 27.870 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.503 35.068 28.158 1.00 0.00 H new ATOM 0 HD2 HIS A 60 34.753 34.665 30.377 1.00 0.00 H new ATOM 0 HE1 HIS A 60 31.743 36.371 32.756 1.00 0.00 H new ATOM 0 HE2 HIS A 60 34.167 35.591 32.755 1.00 0.00 H new ATOM 751 N LYS A 61 31.374 32.286 29.744 1.00 0.00 N ATOM 752 CA LYS A 61 30.275 31.459 30.140 1.00 0.00 C ATOM 753 C LYS A 61 28.945 31.984 29.721 1.00 0.00 C ATOM 754 O LYS A 61 28.684 33.186 29.698 1.00 0.00 O ATOM 755 CB LYS A 61 30.309 31.010 31.610 1.00 0.00 C ATOM 756 CG LYS A 61 29.625 31.870 32.676 1.00 0.00 C ATOM 757 CD LYS A 61 30.139 33.308 32.772 1.00 0.00 C ATOM 758 CE LYS A 61 30.111 33.899 34.184 1.00 0.00 C ATOM 759 NZ LYS A 61 28.736 33.947 34.729 1.00 0.00 N ATOM 0 H LYS A 61 31.895 32.699 30.518 1.00 0.00 H new ATOM 0 HA LYS A 61 30.422 30.543 29.568 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.865 30.016 31.658 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.356 30.906 31.896 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.555 31.895 32.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.751 31.389 33.646 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.162 33.340 32.398 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.540 33.939 32.116 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.743 33.301 34.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.531 34.905 34.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.754 34.369 35.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.135 34.524 34.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.351 32.983 34.785 1.00 0.00 H new ATOM 773 N GLY A 62 28.065 31.069 29.276 1.00 0.00 N ATOM 774 CA GLY A 62 26.802 31.402 28.693 1.00 0.00 C ATOM 775 C GLY A 62 26.809 31.453 27.204 1.00 0.00 C ATOM 776 O GLY A 62 25.739 31.597 26.617 1.00 0.00 O ATOM 0 H GLY A 62 28.238 30.065 29.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.061 30.671 29.016 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.482 32.371 29.077 1.00 0.00 H new ATOM 780 N ASP A 63 27.973 31.352 26.537 1.00 0.00 N ATOM 781 CA ASP A 63 28.046 31.473 25.114 1.00 0.00 C ATOM 782 C ASP A 63 27.673 30.223 24.395 1.00 0.00 C ATOM 783 O ASP A 63 28.075 29.125 24.779 1.00 0.00 O ATOM 784 CB ASP A 63 29.463 31.888 24.683 1.00 0.00 C ATOM 785 CG ASP A 63 29.784 33.329 25.055 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.875 34.121 25.422 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.981 33.707 24.952 1.00 0.00 O ATOM 0 H ASP A 63 28.872 31.185 26.989 1.00 0.00 H new ATOM 0 HA ASP A 63 27.320 32.239 24.842 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.191 31.224 25.150 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.563 31.763 23.605 1.00 0.00 H new ATOM 792 N ARG A 64 26.912 30.325 23.290 1.00 0.00 N ATOM 793 CA ARG A 64 26.381 29.216 22.562 1.00 0.00 C ATOM 794 C ARG A 64 27.219 28.885 21.375 1.00 0.00 C ATOM 795 O ARG A 64 27.597 29.776 20.616 1.00 0.00 O ATOM 796 CB ARG A 64 24.978 29.554 22.030 1.00 0.00 C ATOM 797 CG ARG A 64 24.211 28.371 21.437 1.00 0.00 C ATOM 798 CD ARG A 64 22.963 28.808 20.667 1.00 0.00 C ATOM 799 NE ARG A 64 22.223 27.604 20.195 1.00 0.00 N ATOM 800 CZ ARG A 64 22.428 27.022 18.978 1.00 0.00 C ATOM 801 NH1 ARG A 64 23.599 27.150 18.289 1.00 0.00 N ATOM 802 NH2 ARG A 64 21.414 26.292 18.427 1.00 0.00 N ATOM 0 H ARG A 64 26.655 31.225 22.886 1.00 0.00 H new ATOM 0 HA ARG A 64 26.357 28.373 23.252 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.390 29.979 22.843 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.071 30.327 21.267 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.869 27.813 20.770 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.920 27.692 22.239 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.322 29.414 21.307 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.246 29.430 19.818 1.00 0.00 H new ATOM 0 HE ARG A 64 21.525 27.193 20.815 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.364 27.698 18.681 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.709 26.697 17.382 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.529 26.192 18.924 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.542 25.847 17.518 1.00 0.00 H new ATOM 816 N VAL A 65 27.549 27.603 21.140 1.00 0.00 N ATOM 817 CA VAL A 65 28.360 27.212 20.029 1.00 0.00 C ATOM 818 C VAL A 65 27.584 27.068 18.766 1.00 0.00 C ATOM 819 O VAL A 65 26.403 26.725 18.777 1.00 0.00 O ATOM 820 CB VAL A 65 29.188 26.000 20.341 1.00 0.00 C ATOM 821 CG1 VAL A 65 28.476 24.691 19.958 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.561 26.091 19.655 1.00 0.00 C ATOM 0 H VAL A 65 27.249 26.826 21.729 1.00 0.00 H new ATOM 0 HA VAL A 65 29.057 28.031 19.851 1.00 0.00 H new ATOM 0 HB VAL A 65 29.333 25.981 21.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 29.116 23.843 20.203 1.00 0.00 H new ATOM 0 HG12 VAL A 65 27.540 24.611 20.511 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.267 24.690 18.888 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.146 25.203 19.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.425 26.157 18.576 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.087 26.978 20.009 1.00 0.00 H new ATOM 832 N LEU A 66 28.220 27.343 17.613 1.00 0.00 N ATOM 833 CA LEU A 66 27.692 27.085 16.309 1.00 0.00 C ATOM 834 C LEU A 66 28.443 25.965 15.676 1.00 0.00 C ATOM 835 O LEU A 66 27.856 24.999 15.193 1.00 0.00 O ATOM 836 CB LEU A 66 27.764 28.315 15.387 1.00 0.00 C ATOM 837 CG LEU A 66 26.561 29.270 15.460 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.390 29.968 16.820 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.684 30.327 14.350 1.00 0.00 C ATOM 0 H LEU A 66 29.148 27.766 17.589 1.00 0.00 H new ATOM 0 HA LEU A 66 26.641 26.825 16.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.666 28.876 15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.870 27.970 14.358 1.00 0.00 H new ATOM 0 HG LEU A 66 25.672 28.654 15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.519 30.623 16.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 26.250 29.218 17.599 1.00 0.00 H new ATOM 0 HD13 LEU A 66 27.280 30.558 17.040 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.833 31.006 14.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.607 30.891 14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.700 29.834 13.378 1.00 0.00 H new ATOM 851 N ALA A 67 29.786 26.039 15.649 1.00 0.00 N ATOM 852 CA ALA A 67 30.594 25.067 14.981 1.00 0.00 C ATOM 853 C ALA A 67 31.921 24.932 15.644 1.00 0.00 C ATOM 854 O ALA A 67 32.496 25.907 16.125 1.00 0.00 O ATOM 855 CB ALA A 67 30.835 25.451 13.511 1.00 0.00 C ATOM 0 H ALA A 67 30.318 26.784 16.097 1.00 0.00 H new ATOM 0 HA ALA A 67 30.051 24.123 15.030 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.453 24.691 13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.879 25.521 12.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.344 26.414 13.465 1.00 0.00 H new ATOM 861 N VAL A 68 32.454 23.697 15.685 1.00 0.00 N ATOM 862 CA VAL A 68 33.760 23.425 16.201 1.00 0.00 C ATOM 863 C VAL A 68 34.587 22.872 15.092 1.00 0.00 C ATOM 864 O VAL A 68 34.158 21.954 14.396 1.00 0.00 O ATOM 865 CB VAL A 68 33.741 22.429 17.322 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.160 22.180 17.861 1.00 0.00 C ATOM 867 CG2 VAL A 68 32.838 22.916 18.467 1.00 0.00 C ATOM 0 H VAL A 68 31.964 22.867 15.351 1.00 0.00 H new ATOM 0 HA VAL A 68 34.168 24.356 16.595 1.00 0.00 H new ATOM 0 HB VAL A 68 33.344 21.495 16.925 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.119 21.454 18.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.791 21.793 17.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.578 23.116 18.232 1.00 0.00 H new ATOM 0 HG21 VAL A 68 32.839 22.179 19.270 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.213 23.866 18.847 1.00 0.00 H new ATOM 0 HG23 VAL A 68 31.821 23.049 18.097 1.00 0.00 H new ATOM 877 N ASN A 69 35.791 23.419 14.847 1.00 0.00 N ATOM 878 CA ASN A 69 36.800 22.975 13.935 1.00 0.00 C ATOM 879 C ASN A 69 36.516 23.305 12.510 1.00 0.00 C ATOM 880 O ASN A 69 37.426 23.518 11.712 1.00 0.00 O ATOM 881 CB ASN A 69 37.170 21.505 14.194 1.00 0.00 C ATOM 882 CG ASN A 69 38.237 20.917 13.282 1.00 0.00 C ATOM 883 OD1 ASN A 69 37.919 20.043 12.477 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.518 21.357 13.405 1.00 0.00 N ATOM 0 H ASN A 69 36.086 24.261 15.341 1.00 0.00 H new ATOM 0 HA ASN A 69 37.699 23.557 14.141 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.510 21.413 15.225 1.00 0.00 H new ATOM 0 HB3 ASN A 69 36.267 20.901 14.101 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.252 20.960 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.745 22.084 14.084 1.00 0.00 H new ATOM 891 N GLY A 70 35.224 23.364 12.141 1.00 0.00 N ATOM 892 CA GLY A 70 34.729 23.462 10.803 1.00 0.00 C ATOM 893 C GLY A 70 33.430 22.738 10.705 1.00 0.00 C ATOM 894 O GLY A 70 32.648 22.936 9.777 1.00 0.00 O ATOM 0 H GLY A 70 34.471 23.341 12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.597 24.508 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.449 23.037 10.104 1.00 0.00 H new ATOM 898 N VAL A 71 33.144 21.869 11.690 1.00 0.00 N ATOM 899 CA VAL A 71 31.991 21.024 11.740 1.00 0.00 C ATOM 900 C VAL A 71 30.892 21.733 12.455 1.00 0.00 C ATOM 901 O VAL A 71 30.993 22.063 13.635 1.00 0.00 O ATOM 902 CB VAL A 71 32.277 19.705 12.395 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.041 18.790 12.366 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.454 19.021 11.680 1.00 0.00 C ATOM 0 H VAL A 71 33.753 21.749 12.499 1.00 0.00 H new ATOM 0 HA VAL A 71 31.689 20.806 10.715 1.00 0.00 H new ATOM 0 HB VAL A 71 32.536 19.887 13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.279 17.842 12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.220 19.271 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.747 18.608 11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.662 18.063 12.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.199 18.858 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.337 19.657 11.743 1.00 0.00 H new ATOM 914 N SER A 72 29.778 22.013 11.754 1.00 0.00 N ATOM 915 CA SER A 72 28.629 22.632 12.337 1.00 0.00 C ATOM 916 C SER A 72 27.921 21.694 13.253 1.00 0.00 C ATOM 917 O SER A 72 27.612 20.561 12.888 1.00 0.00 O ATOM 918 CB SER A 72 27.625 23.126 11.282 1.00 0.00 C ATOM 919 OG SER A 72 28.253 24.051 10.407 1.00 0.00 O ATOM 0 H SER A 72 29.674 21.805 10.761 1.00 0.00 H new ATOM 0 HA SER A 72 29.005 23.491 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.238 22.281 10.713 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.773 23.598 11.772 1.00 0.00 H new ATOM 0 HG SER A 72 27.607 24.359 9.738 1.00 0.00 H new ATOM 925 N LEU A 73 27.662 22.114 14.504 1.00 0.00 N ATOM 926 CA LEU A 73 27.160 21.227 15.507 1.00 0.00 C ATOM 927 C LEU A 73 25.674 21.249 15.602 1.00 0.00 C ATOM 928 O LEU A 73 25.105 21.247 16.694 1.00 0.00 O ATOM 929 CB LEU A 73 27.762 21.499 16.896 1.00 0.00 C ATOM 930 CG LEU A 73 29.274 21.258 17.045 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.633 21.281 18.540 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.763 19.932 16.440 1.00 0.00 C ATOM 0 H LEU A 73 27.801 23.073 14.822 1.00 0.00 H new ATOM 0 HA LEU A 73 27.472 20.234 15.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.553 22.535 17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.243 20.873 17.622 1.00 0.00 H new ATOM 0 HG LEU A 73 29.771 22.054 16.490 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.703 21.111 18.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.370 22.251 18.962 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.081 20.497 19.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.839 19.840 16.587 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.257 19.100 16.930 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.540 19.915 15.373 1.00 0.00 H new ATOM 944 N GLU A 74 24.936 21.253 14.478 1.00 0.00 N ATOM 945 CA GLU A 74 23.508 21.309 14.518 1.00 0.00 C ATOM 946 C GLU A 74 22.904 20.003 14.901 1.00 0.00 C ATOM 947 O GLU A 74 23.119 18.962 14.281 1.00 0.00 O ATOM 948 CB GLU A 74 22.855 21.941 13.276 1.00 0.00 C ATOM 949 CG GLU A 74 22.746 21.128 11.986 1.00 0.00 C ATOM 950 CD GLU A 74 24.043 20.969 11.207 1.00 0.00 C ATOM 951 OE1 GLU A 74 24.661 22.001 10.834 1.00 0.00 O ATOM 952 OE2 GLU A 74 24.428 19.808 10.900 1.00 0.00 O ATOM 0 H GLU A 74 25.330 21.217 13.538 1.00 0.00 H new ATOM 0 HA GLU A 74 23.274 22.010 15.319 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.847 22.245 13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 74 23.409 22.850 13.043 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.365 20.137 12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.008 21.602 11.339 1.00 0.00 H new ATOM 959 N GLY A 75 22.149 19.982 16.014 1.00 0.00 N ATOM 960 CA GLY A 75 21.526 18.807 16.540 1.00 0.00 C ATOM 961 C GLY A 75 22.418 17.913 17.332 1.00 0.00 C ATOM 962 O GLY A 75 22.060 16.769 17.608 1.00 0.00 O ATOM 0 H GLY A 75 21.965 20.817 16.570 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.690 19.110 17.171 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.109 18.235 15.711 1.00 0.00 H new ATOM 966 N ALA A 76 23.618 18.382 17.719 1.00 0.00 N ATOM 967 CA ALA A 76 24.578 17.569 18.397 1.00 0.00 C ATOM 968 C ALA A 76 24.232 17.213 19.801 1.00 0.00 C ATOM 969 O ALA A 76 23.535 17.928 20.519 1.00 0.00 O ATOM 970 CB ALA A 76 25.973 18.218 18.358 1.00 0.00 C ATOM 0 H ALA A 76 23.926 19.341 17.558 1.00 0.00 H new ATOM 0 HA ALA A 76 24.575 16.630 17.843 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.686 17.580 18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.288 18.341 17.322 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.934 19.193 18.844 1.00 0.00 H new ATOM 976 N THR A 77 24.730 16.048 20.254 1.00 0.00 N ATOM 977 CA THR A 77 24.571 15.572 21.594 1.00 0.00 C ATOM 978 C THR A 77 25.574 16.189 22.506 1.00 0.00 C ATOM 979 O THR A 77 26.498 16.886 22.089 1.00 0.00 O ATOM 980 CB THR A 77 24.564 14.078 21.728 1.00 0.00 C ATOM 981 OG1 THR A 77 25.848 13.477 21.644 1.00 0.00 O ATOM 982 CG2 THR A 77 23.709 13.453 20.614 1.00 0.00 C ATOM 0 H THR A 77 25.265 15.412 19.663 1.00 0.00 H new ATOM 0 HA THR A 77 23.573 15.891 21.895 1.00 0.00 H new ATOM 0 HB THR A 77 24.162 13.889 22.723 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.762 12.506 21.742 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.710 12.368 20.720 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.687 13.824 20.689 1.00 0.00 H new ATOM 0 HG23 THR A 77 24.123 13.723 19.643 1.00 0.00 H new ATOM 990 N HIS A 78 25.437 15.938 23.821 1.00 0.00 N ATOM 991 CA HIS A 78 26.355 16.357 24.834 1.00 0.00 C ATOM 992 C HIS A 78 27.721 15.792 24.655 1.00 0.00 C ATOM 993 O HIS A 78 28.710 16.523 24.639 1.00 0.00 O ATOM 994 CB HIS A 78 25.773 15.943 26.196 1.00 0.00 C ATOM 995 CG HIS A 78 26.514 16.444 27.400 1.00 0.00 C ATOM 996 ND1 HIS A 78 26.803 15.632 28.479 1.00 0.00 N ATOM 997 CD2 HIS A 78 26.900 17.695 27.766 1.00 0.00 C ATOM 998 CE1 HIS A 78 27.348 16.431 29.434 1.00 0.00 C ATOM 999 NE2 HIS A 78 27.419 17.690 29.044 1.00 0.00 N ATOM 0 H HIS A 78 24.645 15.416 24.196 1.00 0.00 H new ATOM 0 HA HIS A 78 26.473 17.439 24.769 1.00 0.00 H new ATOM 0 HB2 HIS A 78 24.743 16.296 26.253 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.739 14.854 26.240 1.00 0.00 H new ATOM 0 HD2 HIS A 78 26.812 18.572 27.142 1.00 0.00 H new ATOM 0 HE1 HIS A 78 27.683 16.078 30.398 1.00 0.00 H new ATOM 0 HE2 HIS A 78 27.779 18.485 29.572 1.00 0.00 H new ATOM 1007 N LYS A 79 27.830 14.465 24.459 1.00 0.00 N ATOM 1008 CA LYS A 79 29.045 13.800 24.104 1.00 0.00 C ATOM 1009 C LYS A 79 29.680 14.296 22.851 1.00 0.00 C ATOM 1010 O LYS A 79 30.895 14.489 22.828 1.00 0.00 O ATOM 1011 CB LYS A 79 28.912 12.269 24.076 1.00 0.00 C ATOM 1012 CG LYS A 79 29.288 11.582 25.391 1.00 0.00 C ATOM 1013 CD LYS A 79 28.213 11.572 26.480 1.00 0.00 C ATOM 1014 CE LYS A 79 27.116 10.520 26.299 1.00 0.00 C ATOM 1015 NZ LYS A 79 27.639 9.153 26.520 1.00 0.00 N ATOM 0 H LYS A 79 27.038 13.829 24.552 1.00 0.00 H new ATOM 0 HA LYS A 79 29.723 14.063 24.916 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.884 12.009 23.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.544 11.875 23.280 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.563 10.550 25.172 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.176 12.071 25.791 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.695 11.409 27.444 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.748 12.557 26.519 1.00 0.00 H new ATOM 0 HE2 LYS A 79 26.302 10.717 26.996 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.700 10.594 25.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.848 8.478 26.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.289 8.901 25.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.148 9.118 27.426 1.00 0.00 H new ATOM 1029 N GLN A 80 28.920 14.572 21.777 1.00 0.00 N ATOM 1030 CA GLN A 80 29.437 14.962 20.502 1.00 0.00 C ATOM 1031 C GLN A 80 30.331 16.153 20.536 1.00 0.00 C ATOM 1032 O GLN A 80 31.437 16.125 19.997 1.00 0.00 O ATOM 1033 CB GLN A 80 28.302 15.300 19.521 1.00 0.00 C ATOM 1034 CG GLN A 80 27.549 14.103 18.937 1.00 0.00 C ATOM 1035 CD GLN A 80 28.232 13.526 17.705 1.00 0.00 C ATOM 1036 OE1 GLN A 80 27.913 13.899 16.577 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.195 12.591 17.917 1.00 0.00 N ATOM 0 H GLN A 80 27.901 14.521 21.798 1.00 0.00 H new ATOM 0 HA GLN A 80 30.016 14.096 20.181 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.585 15.942 20.032 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.719 15.880 18.698 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.463 13.327 19.697 1.00 0.00 H new ATOM 0 HG3 GLN A 80 26.535 14.408 18.677 1.00 0.00 H new ATOM 0 HE21 GLN A 80 29.431 12.308 18.868 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.682 12.172 17.125 1.00 0.00 H new ATOM 1046 N ALA A 81 29.906 17.240 21.202 1.00 0.00 N ATOM 1047 CA ALA A 81 30.660 18.443 21.381 1.00 0.00 C ATOM 1048 C ALA A 81 31.920 18.255 22.153 1.00 0.00 C ATOM 1049 O ALA A 81 32.969 18.783 21.783 1.00 0.00 O ATOM 1050 CB ALA A 81 29.751 19.436 22.124 1.00 0.00 C ATOM 0 H ALA A 81 28.986 17.283 21.640 1.00 0.00 H new ATOM 0 HA ALA A 81 30.965 18.803 20.398 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.287 20.372 22.283 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.857 19.626 21.529 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.463 19.015 23.087 1.00 0.00 H new ATOM 1056 N VAL A 82 31.891 17.444 23.225 1.00 0.00 N ATOM 1057 CA VAL A 82 33.020 17.119 24.042 1.00 0.00 C ATOM 1058 C VAL A 82 34.014 16.327 23.265 1.00 0.00 C ATOM 1059 O VAL A 82 35.192 16.678 23.211 1.00 0.00 O ATOM 1060 CB VAL A 82 32.637 16.385 25.292 1.00 0.00 C ATOM 1061 CG1 VAL A 82 33.875 15.994 26.116 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.728 17.292 26.139 1.00 0.00 C ATOM 0 H VAL A 82 31.033 16.990 23.539 1.00 0.00 H new ATOM 0 HA VAL A 82 33.469 18.064 24.350 1.00 0.00 H new ATOM 0 HB VAL A 82 32.116 15.470 25.012 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.561 15.464 27.015 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.520 15.348 25.520 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.423 16.893 26.398 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.442 16.770 27.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.264 18.206 26.396 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.833 17.544 25.570 1.00 0.00 H new ATOM 1072 N GLU A 83 33.585 15.255 22.576 1.00 0.00 N ATOM 1073 CA GLU A 83 34.445 14.426 21.790 1.00 0.00 C ATOM 1074 C GLU A 83 35.063 15.125 20.628 1.00 0.00 C ATOM 1075 O GLU A 83 36.199 14.856 20.241 1.00 0.00 O ATOM 1076 CB GLU A 83 33.728 13.157 21.297 1.00 0.00 C ATOM 1077 CG GLU A 83 33.278 12.240 22.435 1.00 0.00 C ATOM 1078 CD GLU A 83 33.010 10.831 21.925 1.00 0.00 C ATOM 1079 OE1 GLU A 83 34.002 10.075 21.747 1.00 0.00 O ATOM 1080 OE2 GLU A 83 31.824 10.463 21.708 1.00 0.00 O ATOM 0 H GLU A 83 32.610 14.956 22.565 1.00 0.00 H new ATOM 0 HA GLU A 83 35.251 14.149 22.470 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.859 13.445 20.705 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.395 12.604 20.635 1.00 0.00 H new ATOM 0 HG2 GLU A 83 34.045 12.211 23.209 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.376 12.642 22.896 1.00 0.00 H new ATOM 1087 N THR A 84 34.334 16.095 20.050 1.00 0.00 N ATOM 1088 CA THR A 84 34.764 16.983 19.015 1.00 0.00 C ATOM 1089 C THR A 84 35.811 17.933 19.486 1.00 0.00 C ATOM 1090 O THR A 84 36.837 18.097 18.827 1.00 0.00 O ATOM 1091 CB THR A 84 33.605 17.744 18.444 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.710 16.852 17.797 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.993 18.769 17.364 1.00 0.00 C ATOM 0 H THR A 84 33.369 16.271 20.329 1.00 0.00 H new ATOM 0 HA THR A 84 35.204 16.362 18.234 1.00 0.00 H new ATOM 0 HB THR A 84 33.170 18.261 19.299 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.272 16.285 18.466 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.097 19.275 17.004 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.679 19.503 17.788 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.478 18.256 16.534 1.00 0.00 H new ATOM 1101 N LEU A 85 35.630 18.572 20.657 1.00 0.00 N ATOM 1102 CA LEU A 85 36.610 19.402 21.283 1.00 0.00 C ATOM 1103 C LEU A 85 37.841 18.670 21.695 1.00 0.00 C ATOM 1104 O LEU A 85 38.952 19.174 21.533 1.00 0.00 O ATOM 1105 CB LEU A 85 36.034 20.111 22.520 1.00 0.00 C ATOM 1106 CG LEU A 85 35.057 21.255 22.200 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.336 21.691 23.487 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.775 22.453 21.556 1.00 0.00 C ATOM 0 H LEU A 85 34.762 18.506 21.189 1.00 0.00 H new ATOM 0 HA LEU A 85 36.889 20.128 20.519 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.522 19.375 23.140 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.858 20.508 23.112 1.00 0.00 H new ATOM 0 HG LEU A 85 34.327 20.888 21.479 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.644 22.502 23.259 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.783 20.846 23.898 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.070 22.034 24.217 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.051 23.240 21.345 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.535 22.832 22.239 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.249 22.137 20.627 1.00 0.00 H new ATOM 1120 N ARG A 86 37.706 17.434 22.206 1.00 0.00 N ATOM 1121 CA ARG A 86 38.773 16.553 22.566 1.00 0.00 C ATOM 1122 C ARG A 86 39.691 16.276 21.426 1.00 0.00 C ATOM 1123 O ARG A 86 40.912 16.362 21.549 1.00 0.00 O ATOM 1124 CB ARG A 86 38.174 15.264 23.156 1.00 0.00 C ATOM 1125 CG ARG A 86 38.996 14.470 24.172 1.00 0.00 C ATOM 1126 CD ARG A 86 39.875 13.335 23.644 1.00 0.00 C ATOM 1127 NE ARG A 86 41.123 13.925 23.081 1.00 0.00 N ATOM 1128 CZ ARG A 86 42.003 13.250 22.286 1.00 0.00 C ATOM 1129 NH1 ARG A 86 41.894 11.908 22.066 1.00 0.00 N ATOM 1130 NH2 ARG A 86 43.028 13.937 21.701 1.00 0.00 N ATOM 0 H ARG A 86 36.789 17.023 22.379 1.00 0.00 H new ATOM 0 HA ARG A 86 39.392 17.038 23.321 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.228 15.526 23.629 1.00 0.00 H new ATOM 0 HB3 ARG A 86 37.942 14.597 22.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 39.638 15.171 24.705 1.00 0.00 H new ATOM 0 HG3 ARG A 86 38.307 14.048 24.904 1.00 0.00 H new ATOM 0 HD2 ARG A 86 40.115 12.637 24.446 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.344 12.770 22.878 1.00 0.00 H new ATOM 0 HE ARG A 86 41.333 14.898 23.305 1.00 0.00 H new ATOM 0 HH11 ARG A 86 41.138 11.380 22.501 1.00 0.00 H new ATOM 0 HH12 ARG A 86 42.569 11.433 21.466 1.00 0.00 H new ATOM 0 HH21 ARG A 86 43.127 14.939 21.861 1.00 0.00 H new ATOM 0 HH22 ARG A 86 43.695 13.448 21.104 1.00 0.00 H new ATOM 1144 N ASN A 87 39.132 15.991 20.236 1.00 0.00 N ATOM 1145 CA ASN A 87 39.851 15.698 19.035 1.00 0.00 C ATOM 1146 C ASN A 87 40.247 16.917 18.275 1.00 0.00 C ATOM 1147 O ASN A 87 40.124 17.004 17.055 1.00 0.00 O ATOM 1148 CB ASN A 87 38.971 14.760 18.190 1.00 0.00 C ATOM 1149 CG ASN A 87 39.763 13.855 17.257 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.991 13.855 17.195 1.00 0.00 O ATOM 1151 ND2 ASN A 87 39.013 12.993 16.519 1.00 0.00 N ATOM 0 H ASN A 87 38.121 15.964 20.105 1.00 0.00 H new ATOM 0 HA ASN A 87 40.794 15.216 19.291 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.369 14.142 18.857 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.279 15.360 17.599 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.468 12.326 15.896 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.996 13.014 16.589 1.00 0.00 H new ATOM 1158 N THR A 88 40.765 17.942 18.975 1.00 0.00 N ATOM 1159 CA THR A 88 41.385 19.104 18.417 1.00 0.00 C ATOM 1160 C THR A 88 42.856 19.013 18.635 1.00 0.00 C ATOM 1161 O THR A 88 43.325 18.279 19.504 1.00 0.00 O ATOM 1162 CB THR A 88 40.876 20.411 18.950 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.939 20.491 20.366 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.409 20.619 18.533 1.00 0.00 C ATOM 0 H THR A 88 40.750 17.960 19.995 1.00 0.00 H new ATOM 0 HA THR A 88 41.130 19.107 17.357 1.00 0.00 H new ATOM 0 HB THR A 88 41.522 21.182 18.529 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.071 20.240 20.747 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.051 21.571 18.926 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.337 20.625 17.445 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.799 19.809 18.932 1.00 0.00 H new ATOM 1172 N GLY A 89 43.654 19.768 17.859 1.00 0.00 N ATOM 1173 CA GLY A 89 45.080 19.801 17.955 1.00 0.00 C ATOM 1174 C GLY A 89 45.553 21.153 18.369 1.00 0.00 C ATOM 1175 O GLY A 89 45.063 21.723 19.343 1.00 0.00 O ATOM 0 H GLY A 89 43.288 20.383 17.132 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.417 19.056 18.676 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.520 19.536 16.994 1.00 0.00 H new ATOM 1179 N GLN A 90 46.544 21.708 17.649 1.00 0.00 N ATOM 1180 CA GLN A 90 47.069 23.014 17.905 1.00 0.00 C ATOM 1181 C GLN A 90 46.142 24.133 17.579 1.00 0.00 C ATOM 1182 O GLN A 90 45.660 24.818 18.481 1.00 0.00 O ATOM 1183 CB GLN A 90 48.418 23.221 17.195 1.00 0.00 C ATOM 1184 CG GLN A 90 49.497 22.279 17.735 1.00 0.00 C ATOM 1185 CD GLN A 90 50.849 22.553 17.090 1.00 0.00 C ATOM 1186 OE1 GLN A 90 51.322 21.800 16.239 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.529 23.642 17.539 1.00 0.00 N ATOM 0 H GLN A 90 46.994 21.235 16.865 1.00 0.00 H new ATOM 0 HA GLN A 90 47.211 23.048 18.985 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.294 23.056 16.125 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.741 24.254 17.323 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.577 22.397 18.816 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.206 21.245 17.548 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.112 24.248 18.245 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.456 23.852 17.170 1.00 0.00 H new ATOM 1196 N VAL A 91 45.853 24.378 16.288 1.00 0.00 N ATOM 1197 CA VAL A 91 45.002 25.447 15.866 1.00 0.00 C ATOM 1198 C VAL A 91 43.597 24.966 15.750 1.00 0.00 C ATOM 1199 O VAL A 91 43.283 23.975 15.092 1.00 0.00 O ATOM 1200 CB VAL A 91 45.453 26.098 14.592 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.538 27.274 14.211 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.889 26.616 14.778 1.00 0.00 C ATOM 0 H VAL A 91 46.220 23.819 15.518 1.00 0.00 H new ATOM 0 HA VAL A 91 45.060 26.219 16.633 1.00 0.00 H new ATOM 0 HB VAL A 91 45.411 25.359 13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.892 27.724 13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.519 26.912 14.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.554 28.020 15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.227 27.091 13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 91 46.911 27.342 15.590 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.548 25.782 15.019 1.00 0.00 H new ATOM 1212 N VAL A 92 42.692 25.659 16.463 1.00 0.00 N ATOM 1213 CA VAL A 92 41.326 25.314 16.709 1.00 0.00 C ATOM 1214 C VAL A 92 40.448 26.429 16.256 1.00 0.00 C ATOM 1215 O VAL A 92 40.554 27.545 16.761 1.00 0.00 O ATOM 1216 CB VAL A 92 41.139 25.150 18.188 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.688 24.762 18.520 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.064 24.021 18.670 1.00 0.00 C ATOM 0 H VAL A 92 42.941 26.542 16.908 1.00 0.00 H new ATOM 0 HA VAL A 92 41.075 24.396 16.177 1.00 0.00 H new ATOM 0 HB VAL A 92 41.372 26.094 18.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.579 24.649 19.599 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.013 25.542 18.167 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.442 23.820 18.030 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.943 23.885 19.745 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.806 23.095 18.156 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.100 24.281 18.451 1.00 0.00 H new ATOM 1228 N HIS A 93 39.512 26.207 15.315 1.00 0.00 N ATOM 1229 CA HIS A 93 38.547 27.187 14.922 1.00 0.00 C ATOM 1230 C HIS A 93 37.220 26.956 15.556 1.00 0.00 C ATOM 1231 O HIS A 93 36.549 25.972 15.249 1.00 0.00 O ATOM 1232 CB HIS A 93 38.376 27.121 13.394 1.00 0.00 C ATOM 1233 CG HIS A 93 37.606 28.228 12.738 1.00 0.00 C ATOM 1234 ND1 HIS A 93 37.357 28.224 11.380 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.101 29.402 13.202 1.00 0.00 C ATOM 1236 CE1 HIS A 93 36.706 29.384 11.096 1.00 0.00 C ATOM 1237 NE2 HIS A 93 36.532 30.126 12.173 1.00 0.00 N ATOM 0 H HIS A 93 39.424 25.323 14.814 1.00 0.00 H new ATOM 0 HA HIS A 93 38.909 28.163 15.245 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.369 27.089 12.945 1.00 0.00 H new ATOM 0 HB3 HIS A 93 37.885 26.179 13.150 1.00 0.00 H new ATOM 0 HD1 HIS A 93 37.612 27.492 10.717 1.00 0.00 H new ATOM 0 HD2 HIS A 93 37.140 29.724 14.232 1.00 0.00 H new ATOM 0 HE1 HIS A 93 36.372 29.664 10.108 1.00 0.00 H new ATOM 1245 N LEU A 94 36.743 27.835 16.457 1.00 0.00 N ATOM 1246 CA LEU A 94 35.365 27.868 16.835 1.00 0.00 C ATOM 1247 C LEU A 94 34.614 28.914 16.086 1.00 0.00 C ATOM 1248 O LEU A 94 35.136 29.983 15.773 1.00 0.00 O ATOM 1249 CB LEU A 94 35.069 28.174 18.313 1.00 0.00 C ATOM 1250 CG LEU A 94 35.757 27.284 19.363 1.00 0.00 C ATOM 1251 CD1 LEU A 94 35.076 27.494 20.726 1.00 0.00 C ATOM 1252 CD2 LEU A 94 35.744 25.787 19.008 1.00 0.00 C ATOM 0 H LEU A 94 37.321 28.531 16.928 1.00 0.00 H new ATOM 0 HA LEU A 94 35.054 26.848 16.610 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.352 29.208 18.508 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.992 28.105 18.464 1.00 0.00 H new ATOM 0 HG LEU A 94 36.804 27.585 19.394 1.00 0.00 H new ATOM 0 HD11 LEU A 94 35.559 26.866 21.475 1.00 0.00 H new ATOM 0 HD12 LEU A 94 35.163 28.540 21.019 1.00 0.00 H new ATOM 0 HD13 LEU A 94 34.022 27.225 20.652 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.246 25.222 19.793 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.714 25.444 18.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.263 25.633 18.062 1.00 0.00 H new ATOM 1264 N LEU A 95 33.313 28.667 15.844 1.00 0.00 N ATOM 1265 CA LEU A 95 32.369 29.680 15.489 1.00 0.00 C ATOM 1266 C LEU A 95 31.355 29.687 16.581 1.00 0.00 C ATOM 1267 O LEU A 95 30.786 28.641 16.889 1.00 0.00 O ATOM 1268 CB LEU A 95 31.691 29.341 14.151 1.00 0.00 C ATOM 1269 CG LEU A 95 31.166 30.514 13.307 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.122 29.971 12.315 1.00 0.00 C ATOM 1271 CD2 LEU A 95 30.596 31.713 14.085 1.00 0.00 C ATOM 0 H LEU A 95 32.906 27.733 15.897 1.00 0.00 H new ATOM 0 HA LEU A 95 32.853 30.650 15.372 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.403 28.782 13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 95 30.855 28.673 14.357 1.00 0.00 H new ATOM 0 HG LEU A 95 32.038 30.929 12.801 1.00 0.00 H new ATOM 0 HD11 LEU A 95 29.738 30.790 11.707 1.00 0.00 H new ATOM 0 HD12 LEU A 95 30.587 29.226 11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 95 29.301 29.512 12.866 1.00 0.00 H new ATOM 0 HD21 LEU A 95 30.258 32.475 13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.755 31.384 14.696 1.00 0.00 H new ATOM 0 HD23 LEU A 95 31.370 32.131 14.729 1.00 0.00 H new ATOM 1283 N LEU A 96 31.096 30.833 17.237 1.00 0.00 N ATOM 1284 CA LEU A 96 30.149 30.842 18.309 1.00 0.00 C ATOM 1285 C LEU A 96 29.452 32.150 18.464 1.00 0.00 C ATOM 1286 O LEU A 96 29.814 33.147 17.840 1.00 0.00 O ATOM 1287 CB LEU A 96 30.723 30.256 19.609 1.00 0.00 C ATOM 1288 CG LEU A 96 31.711 31.057 20.475 1.00 0.00 C ATOM 1289 CD1 LEU A 96 32.955 31.531 19.703 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.008 32.189 21.241 1.00 0.00 C ATOM 0 H LEU A 96 31.530 31.733 17.032 1.00 0.00 H new ATOM 0 HA LEU A 96 29.352 30.154 18.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.875 30.002 20.245 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.216 29.320 19.346 1.00 0.00 H new ATOM 0 HG LEU A 96 32.096 30.364 21.223 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.609 32.089 20.374 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.491 30.667 19.310 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.648 32.174 18.878 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.739 32.731 21.841 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.541 32.873 20.532 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.244 31.767 21.894 1.00 0.00 H new ATOM 1302 N GLU A 97 28.385 32.177 19.282 1.00 0.00 N ATOM 1303 CA GLU A 97 27.559 33.317 19.531 1.00 0.00 C ATOM 1304 C GLU A 97 27.576 33.700 20.972 1.00 0.00 C ATOM 1305 O GLU A 97 27.609 32.855 21.864 1.00 0.00 O ATOM 1306 CB GLU A 97 26.116 33.026 19.087 1.00 0.00 C ATOM 1307 CG GLU A 97 25.186 34.240 19.080 1.00 0.00 C ATOM 1308 CD GLU A 97 23.787 33.938 18.561 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.650 33.421 17.420 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.788 34.227 19.272 1.00 0.00 O ATOM 0 H GLU A 97 28.081 31.353 19.800 1.00 0.00 H new ATOM 0 HA GLU A 97 27.959 34.152 18.955 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.139 32.599 18.084 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.694 32.268 19.747 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.110 34.634 20.093 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.630 35.023 18.466 1.00 0.00 H new ATOM 1317 N LYS A 98 27.506 35.013 21.257 1.00 0.00 N ATOM 1318 CA LYS A 98 27.515 35.579 22.570 1.00 0.00 C ATOM 1319 C LYS A 98 26.216 35.407 23.281 1.00 0.00 C ATOM 1320 O LYS A 98 25.145 35.751 22.781 1.00 0.00 O ATOM 1321 CB LYS A 98 27.748 37.097 22.493 1.00 0.00 C ATOM 1322 CG LYS A 98 27.860 37.886 23.799 1.00 0.00 C ATOM 1323 CD LYS A 98 28.854 37.362 24.837 1.00 0.00 C ATOM 1324 CE LYS A 98 30.250 37.061 24.290 1.00 0.00 C ATOM 1325 NZ LYS A 98 31.088 36.340 25.276 1.00 0.00 N ATOM 0 H LYS A 98 27.439 35.721 20.526 1.00 0.00 H new ATOM 0 HA LYS A 98 28.308 35.059 23.107 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.664 37.263 21.926 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.932 37.529 21.914 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.134 38.912 23.554 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.873 37.921 24.261 1.00 0.00 H new ATOM 0 HD2 LYS A 98 28.943 38.096 25.638 1.00 0.00 H new ATOM 0 HD3 LYS A 98 28.449 36.453 25.281 1.00 0.00 H new ATOM 0 HE2 LYS A 98 30.163 36.464 23.382 1.00 0.00 H new ATOM 0 HE3 LYS A 98 30.739 37.994 24.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 32.084 36.378 24.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 30.988 36.787 26.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.781 35.348 25.333 1.00 0.00 H new