USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 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+ -163:sc= 0.5 (180deg=0.0611) USER MOD Set 1.2: A 88 THR OG1 : rot -100:sc= 1.18 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.675 K(o=1.4,f=-1.7) USER MOD Set 2.2: A 93 HIS : no HE2:sc= 0.749 K(o=1.4,f=-4.5!) 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 14:sc= 1.15 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00068 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 84 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 87 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.7!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 27.951 39.621 18.187 1.00 0.00 N ATOM 45 CA ASP A 12 26.893 38.683 17.975 1.00 0.00 C ATOM 46 C ASP A 12 27.387 37.425 17.347 1.00 0.00 C ATOM 47 O ASP A 12 27.301 36.361 17.958 1.00 0.00 O ATOM 48 CB ASP A 12 25.831 39.419 17.139 1.00 0.00 C ATOM 49 CG ASP A 12 24.588 38.605 16.808 1.00 0.00 C ATOM 50 OD1 ASP A 12 23.876 38.140 17.737 1.00 0.00 O ATOM 51 OD2 ASP A 12 24.293 38.456 15.592 1.00 0.00 O ATOM 0 HA ASP A 12 26.454 38.349 18.915 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.525 40.316 17.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.290 39.748 16.206 1.00 0.00 H new ATOM 56 N THR A 13 28.005 37.499 16.155 1.00 0.00 N ATOM 57 CA THR A 13 28.888 36.474 15.693 1.00 0.00 C ATOM 58 C THR A 13 30.301 36.904 15.889 1.00 0.00 C ATOM 59 O THR A 13 30.698 38.010 15.528 1.00 0.00 O ATOM 60 CB THR A 13 28.747 36.062 14.257 1.00 0.00 C ATOM 61 OG1 THR A 13 28.316 37.126 13.422 1.00 0.00 O ATOM 62 CG2 THR A 13 27.716 34.929 14.130 1.00 0.00 C ATOM 0 H THR A 13 27.891 38.277 15.505 1.00 0.00 H new ATOM 0 HA THR A 13 28.607 35.606 16.289 1.00 0.00 H new ATOM 0 HB THR A 13 29.737 35.739 13.935 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.241 36.807 12.498 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.622 34.638 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 13 28.044 34.071 14.717 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.750 35.273 14.499 1.00 0.00 H new ATOM 70 N PHE A 14 31.135 35.985 16.409 1.00 0.00 N ATOM 71 CA PHE A 14 32.555 36.066 16.263 1.00 0.00 C ATOM 72 C PHE A 14 33.124 34.692 16.176 1.00 0.00 C ATOM 73 O PHE A 14 32.602 33.725 16.729 1.00 0.00 O ATOM 74 CB PHE A 14 33.342 36.934 17.261 1.00 0.00 C ATOM 75 CG PHE A 14 32.909 37.054 18.682 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.189 36.125 19.394 1.00 0.00 C ATOM 77 CD2 PHE A 14 33.345 38.189 19.325 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.888 36.343 20.717 1.00 0.00 C ATOM 79 CE2 PHE A 14 33.064 38.416 20.651 1.00 0.00 C ATOM 80 CZ PHE A 14 32.333 37.482 21.347 1.00 0.00 C ATOM 0 H PHE A 14 30.818 35.173 16.939 1.00 0.00 H new ATOM 0 HA PHE A 14 32.689 36.622 15.335 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.366 36.561 17.270 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.374 37.943 16.851 1.00 0.00 H new ATOM 0 HD1 PHE A 14 31.858 35.218 18.911 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.921 38.918 18.775 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.301 35.619 21.263 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.412 39.314 21.139 1.00 0.00 H new ATOM 0 HZ PHE A 14 32.108 37.643 22.391 1.00 0.00 H new ATOM 90 N GLU A 15 34.207 34.527 15.395 1.00 0.00 N ATOM 91 CA GLU A 15 34.904 33.280 15.325 1.00 0.00 C ATOM 92 C GLU A 15 35.991 33.273 16.344 1.00 0.00 C ATOM 93 O GLU A 15 36.600 34.298 16.643 1.00 0.00 O ATOM 94 CB GLU A 15 35.516 33.028 13.936 1.00 0.00 C ATOM 95 CG GLU A 15 34.483 33.017 12.809 1.00 0.00 C ATOM 96 CD GLU A 15 35.187 33.106 11.462 1.00 0.00 C ATOM 97 OE1 GLU A 15 35.811 34.166 11.187 1.00 0.00 O ATOM 98 OE2 GLU A 15 35.130 32.123 10.676 1.00 0.00 O ATOM 0 H GLU A 15 34.602 35.262 14.809 1.00 0.00 H new ATOM 0 HA GLU A 15 34.182 32.486 15.517 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.259 33.798 13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.041 32.073 13.947 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.887 32.106 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.795 33.854 12.926 1.00 0.00 H new ATOM 105 N VAL A 16 36.286 32.101 16.936 1.00 0.00 N ATOM 106 CA VAL A 16 37.335 31.976 17.899 1.00 0.00 C ATOM 107 C VAL A 16 38.464 31.272 17.230 1.00 0.00 C ATOM 108 O VAL A 16 38.510 30.044 17.199 1.00 0.00 O ATOM 109 CB VAL A 16 36.890 31.280 19.152 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.027 31.231 20.188 1.00 0.00 C ATOM 111 CG2 VAL A 16 35.683 32.031 19.738 1.00 0.00 C ATOM 0 H VAL A 16 35.791 31.230 16.744 1.00 0.00 H new ATOM 0 HA VAL A 16 37.652 32.964 18.234 1.00 0.00 H new ATOM 0 HB VAL A 16 36.611 30.255 18.908 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.679 30.722 21.087 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.876 30.690 19.771 1.00 0.00 H new ATOM 0 HG13 VAL A 16 38.332 32.246 20.442 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.352 31.533 20.649 1.00 0.00 H new ATOM 0 HG22 VAL A 16 35.970 33.057 19.969 1.00 0.00 H new ATOM 0 HG23 VAL A 16 34.870 32.036 19.012 1.00 0.00 H new ATOM 121 N GLU A 17 39.410 32.045 16.667 1.00 0.00 N ATOM 122 CA GLU A 17 40.621 31.584 16.061 1.00 0.00 C ATOM 123 C GLU A 17 41.693 31.582 17.094 1.00 0.00 C ATOM 124 O GLU A 17 42.369 32.579 17.346 1.00 0.00 O ATOM 125 CB GLU A 17 41.014 32.501 14.889 1.00 0.00 C ATOM 126 CG GLU A 17 40.221 32.173 13.623 1.00 0.00 C ATOM 127 CD GLU A 17 40.277 33.260 12.559 1.00 0.00 C ATOM 128 OE1 GLU A 17 40.864 34.352 12.785 1.00 0.00 O ATOM 129 OE2 GLU A 17 39.712 33.037 11.454 1.00 0.00 O ATOM 0 H GLU A 17 39.322 33.061 16.633 1.00 0.00 H new ATOM 0 HA GLU A 17 40.479 30.577 15.670 1.00 0.00 H new ATOM 0 HB2 GLU A 17 40.842 33.541 15.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.080 32.397 14.688 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.601 31.244 13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.180 31.997 13.894 1.00 0.00 H new ATOM 136 N LEU A 18 41.831 30.447 17.802 1.00 0.00 N ATOM 137 CA LEU A 18 42.689 30.319 18.939 1.00 0.00 C ATOM 138 C LEU A 18 43.640 29.188 18.754 1.00 0.00 C ATOM 139 O LEU A 18 43.322 28.180 18.126 1.00 0.00 O ATOM 140 CB LEU A 18 41.802 30.101 20.177 1.00 0.00 C ATOM 141 CG LEU A 18 42.510 29.901 21.527 1.00 0.00 C ATOM 142 CD1 LEU A 18 43.321 31.129 21.972 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.429 29.556 22.565 1.00 0.00 C ATOM 0 H LEU A 18 41.328 29.589 17.575 1.00 0.00 H new ATOM 0 HA LEU A 18 43.287 31.221 19.066 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.136 30.959 20.270 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.175 29.229 19.993 1.00 0.00 H new ATOM 0 HG LEU A 18 43.237 29.095 21.428 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.796 30.923 22.931 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.087 31.349 21.228 1.00 0.00 H new ATOM 0 HD13 LEU A 18 42.656 31.987 22.073 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.895 29.406 23.539 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.711 30.374 22.628 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.914 28.643 22.265 1.00 0.00 H new ATOM 155 N ALA A 19 44.856 29.297 19.321 1.00 0.00 N ATOM 156 CA ALA A 19 45.830 28.253 19.390 1.00 0.00 C ATOM 157 C ALA A 19 45.817 27.667 20.759 1.00 0.00 C ATOM 158 O ALA A 19 45.819 28.384 21.758 1.00 0.00 O ATOM 159 CB ALA A 19 47.234 28.779 19.047 1.00 0.00 C ATOM 0 H ALA A 19 45.176 30.163 19.755 1.00 0.00 H new ATOM 0 HA ALA A 19 45.578 27.486 18.658 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.953 27.962 19.108 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.233 29.187 18.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.512 29.561 19.754 1.00 0.00 H new ATOM 165 N LYS A 20 45.750 26.329 20.876 1.00 0.00 N ATOM 166 CA LYS A 20 45.731 25.667 22.143 1.00 0.00 C ATOM 167 C LYS A 20 47.012 25.684 22.905 1.00 0.00 C ATOM 168 O LYS A 20 48.102 25.756 22.338 1.00 0.00 O ATOM 169 CB LYS A 20 45.263 24.209 21.993 1.00 0.00 C ATOM 170 CG LYS A 20 46.098 23.346 21.046 1.00 0.00 C ATOM 171 CD LYS A 20 45.762 21.856 21.136 1.00 0.00 C ATOM 172 CE LYS A 20 44.265 21.543 21.132 1.00 0.00 C ATOM 173 NZ LYS A 20 44.025 20.097 20.923 1.00 0.00 N ATOM 0 H LYS A 20 45.708 25.696 20.077 1.00 0.00 H new ATOM 0 HA LYS A 20 45.025 26.255 22.730 1.00 0.00 H new ATOM 0 HB2 LYS A 20 45.263 23.742 22.978 1.00 0.00 H new ATOM 0 HB3 LYS A 20 44.231 24.211 21.641 1.00 0.00 H new ATOM 0 HG2 LYS A 20 45.942 23.686 20.022 1.00 0.00 H new ATOM 0 HG3 LYS A 20 47.155 23.488 21.272 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.231 21.339 20.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 46.203 21.451 22.047 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.822 21.856 22.078 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.773 22.114 20.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.036 19.947 20.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.657 19.745 20.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.213 19.583 21.807 1.00 0.00 H new ATOM 187 N THR A 21 46.937 25.562 24.242 1.00 0.00 N ATOM 188 CA THR A 21 48.077 25.394 25.088 1.00 0.00 C ATOM 189 C THR A 21 47.948 24.120 25.848 1.00 0.00 C ATOM 190 O THR A 21 46.903 23.811 26.419 1.00 0.00 O ATOM 191 CB THR A 21 48.390 26.519 26.032 1.00 0.00 C ATOM 192 OG1 THR A 21 47.340 26.833 26.934 1.00 0.00 O ATOM 193 CG2 THR A 21 48.677 27.796 25.225 1.00 0.00 C ATOM 0 H THR A 21 46.053 25.581 24.751 1.00 0.00 H new ATOM 0 HA THR A 21 48.924 25.380 24.402 1.00 0.00 H new ATOM 0 HB THR A 21 49.246 26.179 26.614 1.00 0.00 H new ATOM 0 HG1 THR A 21 47.618 27.571 27.515 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.905 28.615 25.908 1.00 0.00 H new ATOM 0 HG22 THR A 21 49.528 27.626 24.566 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.802 28.054 24.629 1.00 0.00 H new ATOM 201 N ASP A 22 49.010 23.294 25.864 1.00 0.00 N ATOM 202 CA ASP A 22 49.095 22.064 26.588 1.00 0.00 C ATOM 203 C ASP A 22 48.047 21.058 26.261 1.00 0.00 C ATOM 204 O ASP A 22 47.498 20.376 27.125 1.00 0.00 O ATOM 205 CB ASP A 22 49.208 22.390 28.087 1.00 0.00 C ATOM 206 CG ASP A 22 49.913 21.295 28.875 1.00 0.00 C ATOM 207 OD1 ASP A 22 51.172 21.305 28.894 1.00 0.00 O ATOM 208 OD2 ASP A 22 49.230 20.427 29.483 1.00 0.00 O ATOM 0 H ASP A 22 49.860 23.498 25.339 1.00 0.00 H new ATOM 0 HA ASP A 22 49.997 21.545 26.263 1.00 0.00 H new ATOM 0 HB2 ASP A 22 49.750 23.327 28.211 1.00 0.00 H new ATOM 0 HB3 ASP A 22 48.210 22.542 28.498 1.00 0.00 H new ATOM 213 N GLY A 23 47.668 20.930 24.977 1.00 0.00 N ATOM 214 CA GLY A 23 46.630 20.054 24.526 1.00 0.00 C ATOM 215 C GLY A 23 45.246 20.576 24.701 1.00 0.00 C ATOM 216 O GLY A 23 44.292 20.069 24.112 1.00 0.00 O ATOM 0 H GLY A 23 48.103 21.459 24.221 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.790 19.839 23.470 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.716 19.108 25.061 1.00 0.00 H new ATOM 220 N SER A 24 45.087 21.616 25.538 1.00 0.00 N ATOM 221 CA SER A 24 43.857 22.087 26.094 1.00 0.00 C ATOM 222 C SER A 24 43.506 23.458 25.626 1.00 0.00 C ATOM 223 O SER A 24 44.362 24.236 25.205 1.00 0.00 O ATOM 224 CB SER A 24 43.925 22.113 27.630 1.00 0.00 C ATOM 225 OG SER A 24 45.067 22.805 28.114 1.00 0.00 O ATOM 0 H SER A 24 45.884 22.171 25.850 1.00 0.00 H new ATOM 0 HA SER A 24 43.090 21.391 25.755 1.00 0.00 H new ATOM 0 HB2 SER A 24 43.025 22.586 28.022 1.00 0.00 H new ATOM 0 HB3 SER A 24 43.938 21.090 28.007 1.00 0.00 H new ATOM 0 HG SER A 24 45.469 23.322 27.385 1.00 0.00 H new ATOM 231 N LEU A 25 42.215 23.829 25.693 1.00 0.00 N ATOM 232 CA LEU A 25 41.779 25.159 25.402 1.00 0.00 C ATOM 233 C LEU A 25 41.521 25.875 26.683 1.00 0.00 C ATOM 234 O LEU A 25 42.172 26.875 26.976 1.00 0.00 O ATOM 235 CB LEU A 25 40.565 25.190 24.457 1.00 0.00 C ATOM 236 CG LEU A 25 40.867 24.901 22.977 1.00 0.00 C ATOM 237 CD1 LEU A 25 41.990 25.790 22.416 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.122 23.415 22.675 1.00 0.00 C ATOM 0 H LEU A 25 41.461 23.194 25.954 1.00 0.00 H new ATOM 0 HA LEU A 25 42.571 25.677 24.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 39.835 24.462 24.809 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.096 26.172 24.529 1.00 0.00 H new ATOM 0 HG LEU A 25 39.949 25.164 22.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 42.161 25.543 21.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 41.701 26.838 22.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 42.906 25.621 22.983 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.328 23.290 21.612 1.00 0.00 H new ATOM 0 HD22 LEU A 25 41.978 23.068 23.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 40.241 22.832 22.945 1.00 0.00 H new ATOM 250 N GLY A 26 40.592 25.414 27.539 1.00 0.00 N ATOM 251 CA GLY A 26 40.432 25.905 28.873 1.00 0.00 C ATOM 252 C GLY A 26 39.004 26.229 29.151 1.00 0.00 C ATOM 253 O GLY A 26 38.671 27.354 29.522 1.00 0.00 O ATOM 0 H GLY A 26 39.931 24.676 27.296 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.785 25.159 29.585 1.00 0.00 H new ATOM 0 HA3 GLY A 26 41.045 26.795 29.014 1.00 0.00 H new ATOM 257 N ILE A 27 38.109 25.239 28.980 1.00 0.00 N ATOM 258 CA ILE A 27 36.700 25.476 29.042 1.00 0.00 C ATOM 259 C ILE A 27 35.989 24.292 29.599 1.00 0.00 C ATOM 260 O ILE A 27 36.365 23.139 29.392 1.00 0.00 O ATOM 261 CB ILE A 27 36.157 25.908 27.711 1.00 0.00 C ATOM 262 CG1 ILE A 27 34.625 26.026 27.655 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.718 25.031 26.578 1.00 0.00 C ATOM 264 CD1 ILE A 27 34.121 26.786 26.429 1.00 0.00 C ATOM 0 H ILE A 27 38.364 24.268 28.798 1.00 0.00 H new ATOM 0 HA ILE A 27 36.520 26.305 29.727 1.00 0.00 H new ATOM 0 HB ILE A 27 36.510 26.929 27.562 1.00 0.00 H new ATOM 0 HG12 ILE A 27 34.190 25.026 27.658 1.00 0.00 H new ATOM 0 HG13 ILE A 27 34.273 26.529 28.556 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.310 25.364 25.624 1.00 0.00 H new ATOM 0 HG22 ILE A 27 37.805 25.115 26.557 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.438 23.992 26.750 1.00 0.00 H new ATOM 0 HD11 ILE A 27 33.032 26.832 26.452 1.00 0.00 H new ATOM 0 HD12 ILE A 27 34.528 27.797 26.435 1.00 0.00 H new ATOM 0 HD13 ILE A 27 34.443 26.271 25.524 1.00 0.00 H new ATOM 276 N SER A 28 34.913 24.565 30.358 1.00 0.00 N ATOM 277 CA SER A 28 33.938 23.601 30.769 1.00 0.00 C ATOM 278 C SER A 28 32.694 23.897 30.006 1.00 0.00 C ATOM 279 O SER A 28 32.288 25.055 29.909 1.00 0.00 O ATOM 280 CB SER A 28 33.657 23.656 32.280 1.00 0.00 C ATOM 281 OG SER A 28 32.833 22.581 32.709 1.00 0.00 O ATOM 0 H SER A 28 34.713 25.504 30.702 1.00 0.00 H new ATOM 0 HA SER A 28 34.311 22.597 30.567 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.601 23.629 32.825 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.174 24.602 32.525 1.00 0.00 H new ATOM 0 HG SER A 28 32.680 22.651 33.674 1.00 0.00 H new ATOM 287 N VAL A 29 32.052 22.882 29.401 1.00 0.00 N ATOM 288 CA VAL A 29 30.905 23.050 28.566 1.00 0.00 C ATOM 289 C VAL A 29 29.689 22.453 29.188 1.00 0.00 C ATOM 290 O VAL A 29 29.769 21.559 30.029 1.00 0.00 O ATOM 291 CB VAL A 29 31.088 22.508 27.179 1.00 0.00 C ATOM 292 CG1 VAL A 29 32.169 23.344 26.475 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.479 21.020 27.176 1.00 0.00 C ATOM 0 H VAL A 29 32.343 21.909 29.497 1.00 0.00 H new ATOM 0 HA VAL A 29 30.771 24.128 28.471 1.00 0.00 H new ATOM 0 HB VAL A 29 30.137 22.579 26.650 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.319 22.967 25.463 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.852 24.386 26.431 1.00 0.00 H new ATOM 0 HG13 VAL A 29 33.104 23.273 27.031 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.599 20.677 26.148 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.418 20.889 27.714 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.697 20.437 27.664 1.00 0.00 H new ATOM 303 N THR A 30 28.500 22.944 28.797 1.00 0.00 N ATOM 304 CA THR A 30 27.238 22.412 29.210 1.00 0.00 C ATOM 305 C THR A 30 26.390 22.166 28.010 1.00 0.00 C ATOM 306 O THR A 30 26.702 22.606 26.906 1.00 0.00 O ATOM 307 CB THR A 30 26.504 23.274 30.194 1.00 0.00 C ATOM 308 OG1 THR A 30 25.501 22.548 30.888 1.00 0.00 O ATOM 309 CG2 THR A 30 25.860 24.529 29.579 1.00 0.00 C ATOM 0 H THR A 30 28.414 23.743 28.169 1.00 0.00 H new ATOM 0 HA THR A 30 27.448 21.479 29.733 1.00 0.00 H new ATOM 0 HB THR A 30 27.279 23.604 30.885 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.046 23.142 31.521 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.350 25.095 30.358 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.633 25.150 29.126 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.140 24.232 28.816 1.00 0.00 H new ATOM 317 N GLY A 31 25.271 21.441 28.185 1.00 0.00 N ATOM 318 CA GLY A 31 24.239 21.331 27.201 1.00 0.00 C ATOM 319 C GLY A 31 24.082 19.960 26.641 1.00 0.00 C ATOM 320 O GLY A 31 24.348 18.956 27.300 1.00 0.00 O ATOM 0 H GLY A 31 25.078 20.915 29.037 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.293 21.642 27.645 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.452 22.023 26.386 1.00 0.00 H new ATOM 324 N GLY A 32 23.608 19.897 25.383 1.00 0.00 N ATOM 325 CA GLY A 32 23.316 18.675 24.699 1.00 0.00 C ATOM 326 C GLY A 32 21.875 18.306 24.782 1.00 0.00 C ATOM 327 O GLY A 32 21.234 18.419 25.826 1.00 0.00 O ATOM 0 H GLY A 32 23.421 20.728 24.822 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.604 18.771 23.652 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.919 17.872 25.123 1.00 0.00 H new ATOM 331 N VAL A 33 21.304 17.802 23.674 1.00 0.00 N ATOM 332 CA VAL A 33 19.930 17.423 23.562 1.00 0.00 C ATOM 333 C VAL A 33 19.579 16.189 24.322 1.00 0.00 C ATOM 334 O VAL A 33 18.414 15.843 24.516 1.00 0.00 O ATOM 335 CB VAL A 33 19.495 17.262 22.136 1.00 0.00 C ATOM 336 CG1 VAL A 33 18.045 17.754 21.999 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.402 18.040 21.168 1.00 0.00 C ATOM 0 H VAL A 33 21.828 17.651 22.812 1.00 0.00 H new ATOM 0 HA VAL A 33 19.389 18.255 24.013 1.00 0.00 H new ATOM 0 HB VAL A 33 19.567 16.207 21.873 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.719 17.641 20.965 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.398 17.166 22.650 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.989 18.804 22.285 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.052 17.896 20.146 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.373 19.101 21.416 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.425 17.675 21.255 1.00 0.00 H new ATOM 450 N GLY A 41 21.356 23.055 23.124 1.00 0.00 N ATOM 451 CA GLY A 41 22.479 23.638 22.459 1.00 0.00 C ATOM 452 C GLY A 41 23.675 23.384 23.312 1.00 0.00 C ATOM 453 O GLY A 41 23.537 22.905 24.436 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.611 23.199 21.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.329 24.708 22.315 1.00 0.00 H new ATOM 457 N ILE A 42 24.877 23.686 22.791 1.00 0.00 N ATOM 458 CA ILE A 42 26.132 23.512 23.454 1.00 0.00 C ATOM 459 C ILE A 42 26.591 24.855 23.908 1.00 0.00 C ATOM 460 O ILE A 42 26.857 25.737 23.094 1.00 0.00 O ATOM 461 CB ILE A 42 27.137 22.882 22.536 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.647 21.536 21.975 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.515 22.734 23.203 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.396 20.441 23.010 1.00 0.00 C ATOM 0 H ILE A 42 24.978 24.074 21.853 1.00 0.00 H new ATOM 0 HA ILE A 42 26.021 22.844 24.308 1.00 0.00 H new ATOM 0 HB ILE A 42 27.252 23.564 21.693 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.723 21.708 21.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.383 21.172 21.259 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.211 22.273 22.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.887 23.717 23.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.425 22.106 24.090 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.054 19.536 22.507 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.320 20.230 23.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.634 20.774 23.715 1.00 0.00 H new ATOM 476 N TYR A 43 26.680 25.075 25.232 1.00 0.00 N ATOM 477 CA TYR A 43 26.944 26.369 25.781 1.00 0.00 C ATOM 478 C TYR A 43 28.152 26.330 26.653 1.00 0.00 C ATOM 479 O TYR A 43 28.544 25.292 27.184 1.00 0.00 O ATOM 480 CB TYR A 43 25.760 26.899 26.608 1.00 0.00 C ATOM 481 CG TYR A 43 24.640 27.346 25.733 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.679 26.461 25.305 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.542 28.665 25.355 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.658 26.874 24.484 1.00 0.00 C ATOM 485 CE2 TYR A 43 23.517 29.093 24.544 1.00 0.00 C ATOM 486 CZ TYR A 43 22.583 28.190 24.090 1.00 0.00 C ATOM 487 OH TYR A 43 21.573 28.609 23.199 1.00 0.00 O ATOM 0 H TYR A 43 26.567 24.343 25.933 1.00 0.00 H new ATOM 0 HA TYR A 43 27.108 27.039 24.937 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.407 26.118 27.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 26.092 27.731 27.229 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.727 25.428 25.618 1.00 0.00 H new ATOM 0 HD2 TYR A 43 25.280 29.374 25.700 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.915 26.166 24.148 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.445 30.134 24.265 1.00 0.00 H new ATOM 0 HH TYR A 43 21.666 29.569 23.027 1.00 0.00 H new ATOM 497 N VAL A 44 28.792 27.496 26.847 1.00 0.00 N ATOM 498 CA VAL A 44 29.907 27.673 27.726 1.00 0.00 C ATOM 499 C VAL A 44 29.461 27.684 29.147 1.00 0.00 C ATOM 500 O VAL A 44 28.632 28.506 29.537 1.00 0.00 O ATOM 501 CB VAL A 44 30.628 28.960 27.454 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.872 29.103 28.346 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.021 29.039 25.969 1.00 0.00 C ATOM 0 H VAL A 44 28.520 28.355 26.369 1.00 0.00 H new ATOM 0 HA VAL A 44 30.582 26.836 27.547 1.00 0.00 H new ATOM 0 HB VAL A 44 29.954 29.784 27.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.372 30.046 28.124 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.572 29.089 29.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.555 28.276 28.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.544 29.977 25.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.674 28.203 25.721 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.123 28.994 25.352 1.00 0.00 H new ATOM 513 N LYS A 45 29.990 26.783 29.994 1.00 0.00 N ATOM 514 CA LYS A 45 29.613 26.651 31.366 1.00 0.00 C ATOM 515 C LYS A 45 30.498 27.453 32.257 1.00 0.00 C ATOM 516 O LYS A 45 30.031 28.251 33.069 1.00 0.00 O ATOM 517 CB LYS A 45 29.664 25.165 31.758 1.00 0.00 C ATOM 518 CG LYS A 45 29.013 24.781 33.089 1.00 0.00 C ATOM 519 CD LYS A 45 29.052 23.262 33.266 1.00 0.00 C ATOM 520 CE LYS A 45 28.405 22.748 34.553 1.00 0.00 C ATOM 521 NZ LYS A 45 28.313 21.272 34.504 1.00 0.00 N ATOM 0 H LYS A 45 30.710 26.119 29.710 1.00 0.00 H new ATOM 0 HA LYS A 45 28.599 27.033 31.488 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.186 24.588 30.967 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.709 24.857 31.789 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.536 25.266 33.913 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.982 25.133 33.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.553 22.799 32.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 30.091 22.934 33.243 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.993 23.058 35.417 1.00 0.00 H new ATOM 0 HE3 LYS A 45 27.412 23.181 34.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.873 20.922 35.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.735 20.987 33.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.267 20.868 34.410 1.00 0.00 H new ATOM 535 N ALA A 46 31.824 27.282 32.128 1.00 0.00 N ATOM 536 CA ALA A 46 32.782 28.034 32.878 1.00 0.00 C ATOM 537 C ALA A 46 34.054 28.091 32.103 1.00 0.00 C ATOM 538 O ALA A 46 34.288 27.264 31.223 1.00 0.00 O ATOM 539 CB ALA A 46 33.033 27.404 34.258 1.00 0.00 C ATOM 0 H ALA A 46 32.241 26.606 31.488 1.00 0.00 H new ATOM 0 HA ALA A 46 32.394 29.039 33.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.766 28.000 34.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.099 27.375 34.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.412 26.390 34.131 1.00 0.00 H new ATOM 545 N ILE A 47 34.924 29.075 32.392 1.00 0.00 N ATOM 546 CA ILE A 47 36.181 29.225 31.728 1.00 0.00 C ATOM 547 C ILE A 47 37.280 28.975 32.704 1.00 0.00 C ATOM 548 O ILE A 47 37.308 29.497 33.818 1.00 0.00 O ATOM 549 CB ILE A 47 36.251 30.502 30.944 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.849 30.271 29.546 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.962 31.654 31.673 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.885 29.572 28.589 1.00 0.00 C ATOM 0 H ILE A 47 34.749 29.784 33.105 1.00 0.00 H new ATOM 0 HA ILE A 47 36.305 28.471 30.951 1.00 0.00 H new ATOM 0 HB ILE A 47 35.217 30.826 30.831 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.142 31.230 29.120 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.756 29.673 29.640 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.968 32.539 31.036 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.435 31.878 32.600 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.988 31.363 31.900 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.367 29.439 27.620 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.611 28.598 28.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.988 30.180 28.468 1.00 0.00 H new ATOM 564 N ILE A 48 38.186 28.038 32.370 1.00 0.00 N ATOM 565 CA ILE A 48 39.160 27.482 33.256 1.00 0.00 C ATOM 566 C ILE A 48 40.316 28.384 33.516 1.00 0.00 C ATOM 567 O ILE A 48 40.961 28.742 32.532 1.00 0.00 O ATOM 568 CB ILE A 48 39.656 26.155 32.762 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.486 25.225 32.398 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.578 25.491 33.799 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.627 24.732 33.561 1.00 0.00 C ATOM 0 H ILE A 48 38.241 27.648 31.429 1.00 0.00 H new ATOM 0 HA ILE A 48 38.639 27.347 34.204 1.00 0.00 H new ATOM 0 HB ILE A 48 40.236 26.334 31.857 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.840 25.748 31.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.889 24.356 31.877 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.924 24.531 33.416 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.436 26.136 33.989 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.029 25.335 34.727 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.836 24.086 33.181 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.248 24.172 34.260 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.183 25.586 34.073 1.00 0.00 H new ATOM 583 N PRO A 49 40.703 28.766 34.698 1.00 0.00 N ATOM 584 CA PRO A 49 41.793 29.674 34.903 1.00 0.00 C ATOM 585 C PRO A 49 43.105 29.231 34.355 1.00 0.00 C ATOM 586 O PRO A 49 43.570 28.138 34.675 1.00 0.00 O ATOM 587 CB PRO A 49 41.871 29.854 36.418 1.00 0.00 C ATOM 588 CG PRO A 49 40.409 29.688 36.865 1.00 0.00 C ATOM 589 CD PRO A 49 39.919 28.588 35.910 1.00 0.00 C ATOM 0 HA PRO A 49 41.598 30.597 34.357 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.520 29.110 36.879 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.266 30.833 36.688 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.331 29.388 37.910 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.839 30.611 36.755 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.072 27.597 36.337 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.852 28.687 35.708 1.00 0.00 H new ATOM 597 N LYS A 50 43.713 30.076 33.502 1.00 0.00 N ATOM 598 CA LYS A 50 44.947 29.864 32.810 1.00 0.00 C ATOM 599 C LYS A 50 44.847 28.915 31.667 1.00 0.00 C ATOM 600 O LYS A 50 45.818 28.257 31.298 1.00 0.00 O ATOM 601 CB LYS A 50 46.162 29.636 33.725 1.00 0.00 C ATOM 602 CG LYS A 50 46.346 30.777 34.728 1.00 0.00 C ATOM 603 CD LYS A 50 47.546 30.629 35.666 1.00 0.00 C ATOM 604 CE LYS A 50 48.901 30.612 34.958 1.00 0.00 C ATOM 605 NZ LYS A 50 49.990 30.849 35.932 1.00 0.00 N ATOM 0 H LYS A 50 43.305 30.984 33.279 1.00 0.00 H new ATOM 0 HA LYS A 50 45.158 30.825 32.341 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.039 28.696 34.263 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.061 29.540 33.116 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.448 31.712 34.177 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.441 30.860 35.331 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.535 31.450 36.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.435 29.706 36.235 1.00 0.00 H new ATOM 0 HE2 LYS A 50 49.049 29.652 34.463 1.00 0.00 H new ATOM 0 HE3 LYS A 50 48.924 31.378 34.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 50.906 30.835 35.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 49.855 31.775 36.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 49.976 30.103 36.657 1.00 0.00 H new ATOM 619 N GLY A 51 43.675 28.858 31.008 1.00 0.00 N ATOM 620 CA GLY A 51 43.562 28.303 29.695 1.00 0.00 C ATOM 621 C GLY A 51 43.842 29.272 28.599 1.00 0.00 C ATOM 622 O GLY A 51 43.756 30.488 28.763 1.00 0.00 O ATOM 0 H GLY A 51 42.795 29.202 31.392 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.250 27.462 29.607 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.555 27.905 29.566 1.00 0.00 H new ATOM 626 N ALA A 52 44.146 28.757 27.395 1.00 0.00 N ATOM 627 CA ALA A 52 44.083 29.426 26.132 1.00 0.00 C ATOM 628 C ALA A 52 42.813 30.166 25.889 1.00 0.00 C ATOM 629 O ALA A 52 42.798 31.357 25.580 1.00 0.00 O ATOM 630 CB ALA A 52 44.360 28.418 25.003 1.00 0.00 C ATOM 0 H ALA A 52 44.462 27.792 27.298 1.00 0.00 H new ATOM 0 HA ALA A 52 44.855 30.195 26.149 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.312 28.927 24.041 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.352 27.986 25.136 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.612 27.625 25.032 1.00 0.00 H new ATOM 636 N ALA A 53 41.683 29.449 26.025 1.00 0.00 N ATOM 637 CA ALA A 53 40.337 29.905 25.870 1.00 0.00 C ATOM 638 C ALA A 53 39.949 30.951 26.857 1.00 0.00 C ATOM 639 O ALA A 53 39.385 31.984 26.501 1.00 0.00 O ATOM 640 CB ALA A 53 39.348 28.732 25.968 1.00 0.00 C ATOM 0 H ALA A 53 41.718 28.458 26.266 1.00 0.00 H new ATOM 0 HA ALA A 53 40.292 30.356 24.879 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.330 29.103 25.847 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.565 28.006 25.184 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.446 28.254 26.942 1.00 0.00 H new ATOM 646 N GLU A 54 40.280 30.708 28.138 1.00 0.00 N ATOM 647 CA GLU A 54 40.123 31.631 29.218 1.00 0.00 C ATOM 648 C GLU A 54 40.487 33.048 28.937 1.00 0.00 C ATOM 649 O GLU A 54 39.658 33.957 28.954 1.00 0.00 O ATOM 650 CB GLU A 54 40.919 31.158 30.446 1.00 0.00 C ATOM 651 CG GLU A 54 40.502 31.864 31.739 1.00 0.00 C ATOM 652 CD GLU A 54 41.477 32.864 32.343 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.614 32.469 32.715 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.076 34.046 32.512 1.00 0.00 O ATOM 0 H GLU A 54 40.679 29.818 28.435 1.00 0.00 H new ATOM 0 HA GLU A 54 39.048 31.634 29.398 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.785 30.083 30.566 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.981 31.330 30.271 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.563 32.383 31.550 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.298 31.099 32.488 1.00 0.00 H new ATOM 661 N SER A 55 41.787 33.254 28.662 1.00 0.00 N ATOM 662 CA SER A 55 42.408 34.509 28.375 1.00 0.00 C ATOM 663 C SER A 55 42.026 35.142 27.081 1.00 0.00 C ATOM 664 O SER A 55 42.257 36.338 26.908 1.00 0.00 O ATOM 665 CB SER A 55 43.944 34.433 28.329 1.00 0.00 C ATOM 666 OG SER A 55 44.472 34.187 29.625 1.00 0.00 O ATOM 0 H SER A 55 42.454 32.483 28.639 1.00 0.00 H new ATOM 0 HA SER A 55 42.041 35.109 29.208 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.254 33.641 27.648 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.348 35.366 27.937 1.00 0.00 H new ATOM 0 HG SER A 55 45.450 34.140 29.576 1.00 0.00 H new ATOM 672 N ASP A 56 41.461 34.395 26.116 1.00 0.00 N ATOM 673 CA ASP A 56 41.165 34.882 24.805 1.00 0.00 C ATOM 674 C ASP A 56 40.234 36.045 24.825 1.00 0.00 C ATOM 675 O ASP A 56 40.556 37.122 24.326 1.00 0.00 O ATOM 676 CB ASP A 56 40.633 33.749 23.912 1.00 0.00 C ATOM 677 CG ASP A 56 40.465 34.234 22.478 1.00 0.00 C ATOM 678 OD1 ASP A 56 41.475 34.240 21.724 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.351 34.721 22.149 1.00 0.00 O ATOM 0 H ASP A 56 41.201 33.418 26.253 1.00 0.00 H new ATOM 0 HA ASP A 56 42.099 35.245 24.377 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.321 32.904 23.938 1.00 0.00 H new ATOM 0 HB3 ASP A 56 39.677 33.394 24.296 1.00 0.00 H new ATOM 684 N GLY A 57 39.049 35.861 25.433 1.00 0.00 N ATOM 685 CA GLY A 57 38.101 36.920 25.592 1.00 0.00 C ATOM 686 C GLY A 57 36.901 36.833 24.713 1.00 0.00 C ATOM 687 O GLY A 57 35.849 37.353 25.081 1.00 0.00 O ATOM 0 H GLY A 57 38.745 34.967 25.819 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.771 36.938 26.631 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.604 37.868 25.401 1.00 0.00 H new ATOM 691 N ARG A 58 36.973 36.176 23.541 1.00 0.00 N ATOM 692 CA ARG A 58 35.825 35.992 22.708 1.00 0.00 C ATOM 693 C ARG A 58 34.872 34.997 23.274 1.00 0.00 C ATOM 694 O ARG A 58 33.663 35.102 23.074 1.00 0.00 O ATOM 695 CB ARG A 58 36.196 35.610 21.264 1.00 0.00 C ATOM 696 CG ARG A 58 36.843 36.753 20.480 1.00 0.00 C ATOM 697 CD ARG A 58 37.174 36.371 19.037 1.00 0.00 C ATOM 698 NE ARG A 58 37.744 37.570 18.361 1.00 0.00 N ATOM 699 CZ ARG A 58 38.273 37.547 17.103 1.00 0.00 C ATOM 700 NH1 ARG A 58 38.153 36.465 16.279 1.00 0.00 N ATOM 701 NH2 ARG A 58 38.946 38.636 16.631 1.00 0.00 N ATOM 0 H ARG A 58 37.832 35.770 23.169 1.00 0.00 H new ATOM 0 HA ARG A 58 35.328 36.962 22.678 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.880 34.761 21.285 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.298 35.283 20.740 1.00 0.00 H new ATOM 0 HG2 ARG A 58 36.172 37.612 20.478 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.756 37.064 20.987 1.00 0.00 H new ATOM 0 HD2 ARG A 58 37.887 35.547 19.015 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.278 36.031 18.518 1.00 0.00 H new ATOM 0 HE ARG A 58 37.739 38.456 18.866 1.00 0.00 H new ATOM 0 HH11 ARG A 58 37.654 35.635 16.597 1.00 0.00 H new ATOM 0 HH12 ARG A 58 38.563 36.487 15.345 1.00 0.00 H new ATOM 0 HH21 ARG A 58 39.052 39.464 17.218 1.00 0.00 H new ATOM 0 HH22 ARG A 58 39.343 38.623 15.691 1.00 0.00 H new ATOM 715 N ILE A 59 35.355 34.006 24.046 1.00 0.00 N ATOM 716 CA ILE A 59 34.530 33.061 24.731 1.00 0.00 C ATOM 717 C ILE A 59 34.184 33.545 26.098 1.00 0.00 C ATOM 718 O ILE A 59 35.067 33.768 26.926 1.00 0.00 O ATOM 719 CB ILE A 59 35.185 31.717 24.849 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.670 31.235 23.470 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.189 30.716 25.457 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.213 29.808 23.444 1.00 0.00 C ATOM 0 H ILE A 59 36.353 33.858 24.198 1.00 0.00 H new ATOM 0 HA ILE A 59 33.625 32.957 24.133 1.00 0.00 H new ATOM 0 HB ILE A 59 36.054 31.794 25.503 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.842 31.307 22.764 1.00 0.00 H new ATOM 0 HG13 ILE A 59 36.449 31.911 23.118 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.663 29.738 25.544 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.884 31.061 26.445 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.313 30.639 24.814 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.530 29.558 22.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.064 29.730 24.120 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.433 29.116 23.761 1.00 0.00 H new ATOM 734 N HIS A 60 32.885 33.704 26.408 1.00 0.00 N ATOM 735 CA HIS A 60 32.390 34.023 27.711 1.00 0.00 C ATOM 736 C HIS A 60 31.391 33.019 28.175 1.00 0.00 C ATOM 737 O HIS A 60 30.907 32.166 27.434 1.00 0.00 O ATOM 738 CB HIS A 60 31.759 35.426 27.698 1.00 0.00 C ATOM 739 CG HIS A 60 31.270 35.941 29.018 1.00 0.00 C ATOM 740 ND1 HIS A 60 32.077 36.395 30.041 1.00 0.00 N ATOM 741 CD2 HIS A 60 29.994 36.043 29.476 1.00 0.00 C ATOM 742 CE1 HIS A 60 31.252 36.761 31.058 1.00 0.00 C ATOM 743 NE2 HIS A 60 29.982 36.572 30.751 1.00 0.00 N ATOM 0 H HIS A 60 32.143 33.605 25.715 1.00 0.00 H new ATOM 0 HA HIS A 60 33.229 34.006 28.406 1.00 0.00 H new ATOM 0 HB2 HIS A 60 32.494 36.129 27.306 1.00 0.00 H new ATOM 0 HB3 HIS A 60 30.921 35.419 27.001 1.00 0.00 H new ATOM 0 HD2 HIS A 60 29.115 35.752 28.921 1.00 0.00 H new ATOM 0 HE1 HIS A 60 31.594 37.158 32.002 1.00 0.00 H new ATOM 0 HE2 HIS A 60 29.167 36.773 31.331 1.00 0.00 H new ATOM 751 N LYS A 61 31.030 33.077 29.470 1.00 0.00 N ATOM 752 CA LYS A 61 30.080 32.222 30.111 1.00 0.00 C ATOM 753 C LYS A 61 28.690 32.393 29.601 1.00 0.00 C ATOM 754 O LYS A 61 28.077 33.452 29.722 1.00 0.00 O ATOM 755 CB LYS A 61 30.093 32.510 31.622 1.00 0.00 C ATOM 756 CG LYS A 61 29.208 31.613 32.492 1.00 0.00 C ATOM 757 CD LYS A 61 28.979 32.278 33.851 1.00 0.00 C ATOM 758 CE LYS A 61 28.086 31.480 34.803 1.00 0.00 C ATOM 759 NZ LYS A 61 27.607 32.385 35.871 1.00 0.00 N ATOM 0 H LYS A 61 31.428 33.765 30.109 1.00 0.00 H new ATOM 0 HA LYS A 61 30.376 31.196 29.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.120 32.425 31.977 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.787 33.545 31.776 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.253 31.437 31.997 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.681 30.640 32.627 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.945 32.441 34.329 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.533 33.260 33.691 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.242 31.054 34.261 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.642 30.647 35.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.998 31.856 36.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.421 32.771 36.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.065 33.165 35.448 1.00 0.00 H new ATOM 773 N GLY A 62 28.116 31.330 29.010 1.00 0.00 N ATOM 774 CA GLY A 62 26.814 31.364 28.419 1.00 0.00 C ATOM 775 C GLY A 62 26.805 31.647 26.957 1.00 0.00 C ATOM 776 O GLY A 62 25.736 31.870 26.391 1.00 0.00 O ATOM 0 H GLY A 62 28.571 30.420 28.941 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.325 30.406 28.593 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.218 32.123 28.927 1.00 0.00 H new ATOM 780 N ASP A 63 27.965 31.618 26.275 1.00 0.00 N ATOM 781 CA ASP A 63 28.005 31.748 24.851 1.00 0.00 C ATOM 782 C ASP A 63 27.702 30.461 24.167 1.00 0.00 C ATOM 783 O ASP A 63 27.777 29.385 24.758 1.00 0.00 O ATOM 784 CB ASP A 63 29.364 32.287 24.372 1.00 0.00 C ATOM 785 CG ASP A 63 29.543 33.750 24.750 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.530 34.463 24.979 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.717 34.207 24.769 1.00 0.00 O ATOM 0 H ASP A 63 28.879 31.504 26.713 1.00 0.00 H new ATOM 0 HA ASP A 63 27.230 32.467 24.584 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.167 31.695 24.810 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.441 32.177 23.290 1.00 0.00 H new ATOM 792 N ARG A 64 27.294 30.529 22.887 1.00 0.00 N ATOM 793 CA ARG A 64 26.706 29.452 22.153 1.00 0.00 C ATOM 794 C ARG A 64 27.602 28.999 21.052 1.00 0.00 C ATOM 795 O ARG A 64 28.000 29.791 20.198 1.00 0.00 O ATOM 796 CB ARG A 64 25.402 29.999 21.549 1.00 0.00 C ATOM 797 CG ARG A 64 24.496 29.023 20.797 1.00 0.00 C ATOM 798 CD ARG A 64 23.273 29.767 20.255 1.00 0.00 C ATOM 799 NE ARG A 64 22.294 28.777 19.723 1.00 0.00 N ATOM 800 CZ ARG A 64 20.942 28.952 19.803 1.00 0.00 C ATOM 801 NH1 ARG A 64 20.381 30.156 20.113 1.00 0.00 N ATOM 802 NH2 ARG A 64 20.107 27.909 19.523 1.00 0.00 N ATOM 0 H ARG A 64 27.379 31.382 22.335 1.00 0.00 H new ATOM 0 HA ARG A 64 26.532 28.599 22.808 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.819 30.441 22.357 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.663 30.807 20.865 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.045 28.560 19.977 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.180 28.219 21.462 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.814 30.362 21.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.573 30.459 19.468 1.00 0.00 H new ATOM 0 HE ARG A 64 22.650 27.930 19.279 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.976 30.964 20.294 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.366 30.248 20.163 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.494 27.004 19.255 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.096 28.035 19.581 1.00 0.00 H new ATOM 816 N VAL A 65 27.961 27.704 20.996 1.00 0.00 N ATOM 817 CA VAL A 65 28.811 27.203 19.959 1.00 0.00 C ATOM 818 C VAL A 65 28.003 26.696 18.814 1.00 0.00 C ATOM 819 O VAL A 65 27.175 25.797 18.950 1.00 0.00 O ATOM 820 CB VAL A 65 29.767 26.148 20.430 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.735 25.748 19.303 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.584 26.731 21.594 1.00 0.00 C ATOM 0 H VAL A 65 27.662 27.001 21.671 1.00 0.00 H new ATOM 0 HA VAL A 65 29.417 28.047 19.630 1.00 0.00 H new ATOM 0 HB VAL A 65 29.206 25.266 20.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.420 24.982 19.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.168 25.357 18.458 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.304 26.622 18.985 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.288 25.982 21.955 1.00 0.00 H new ATOM 0 HG22 VAL A 65 31.132 27.608 21.250 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.912 27.017 22.403 1.00 0.00 H new ATOM 832 N LEU A 66 28.220 27.265 17.615 1.00 0.00 N ATOM 833 CA LEU A 66 27.531 26.896 16.418 1.00 0.00 C ATOM 834 C LEU A 66 28.248 25.795 15.714 1.00 0.00 C ATOM 835 O LEU A 66 27.655 24.791 15.322 1.00 0.00 O ATOM 836 CB LEU A 66 27.386 28.111 15.488 1.00 0.00 C ATOM 837 CG LEU A 66 26.662 29.317 16.110 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.674 30.505 15.134 1.00 0.00 C ATOM 839 CD2 LEU A 66 25.216 28.996 16.524 1.00 0.00 C ATOM 0 H LEU A 66 28.902 28.011 17.474 1.00 0.00 H new ATOM 0 HA LEU A 66 26.538 26.541 16.693 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.379 28.427 15.168 1.00 0.00 H new ATOM 0 HB3 LEU A 66 26.846 27.803 14.593 1.00 0.00 H new ATOM 0 HG LEU A 66 27.206 29.577 17.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.158 31.352 15.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 27.704 30.783 14.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.168 30.223 14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 66 24.756 29.884 16.956 1.00 0.00 H new ATOM 0 HD22 LEU A 66 24.648 28.683 15.648 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.218 28.193 17.261 1.00 0.00 H new ATOM 851 N ALA A 67 29.582 25.915 15.587 1.00 0.00 N ATOM 852 CA ALA A 67 30.381 24.941 14.909 1.00 0.00 C ATOM 853 C ALA A 67 31.757 24.900 15.478 1.00 0.00 C ATOM 854 O ALA A 67 32.318 25.919 15.878 1.00 0.00 O ATOM 855 CB ALA A 67 30.489 25.247 13.405 1.00 0.00 C ATOM 0 H ALA A 67 30.114 26.701 15.961 1.00 0.00 H new ATOM 0 HA ALA A 67 29.889 23.978 15.046 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.103 24.487 12.922 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.494 25.245 12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 67 30.947 26.226 13.265 1.00 0.00 H new ATOM 861 N VAL A 68 32.345 23.693 15.549 1.00 0.00 N ATOM 862 CA VAL A 68 33.682 23.487 16.011 1.00 0.00 C ATOM 863 C VAL A 68 34.516 23.064 14.852 1.00 0.00 C ATOM 864 O VAL A 68 34.322 21.985 14.291 1.00 0.00 O ATOM 865 CB VAL A 68 33.798 22.432 17.071 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.248 22.340 17.577 1.00 0.00 C ATOM 867 CG2 VAL A 68 32.865 22.726 18.258 1.00 0.00 C ATOM 0 H VAL A 68 31.874 22.831 15.275 1.00 0.00 H new ATOM 0 HA VAL A 68 34.014 24.427 16.451 1.00 0.00 H new ATOM 0 HB VAL A 68 33.504 21.483 16.623 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.317 21.570 18.346 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.907 22.084 16.747 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.548 23.300 17.997 1.00 0.00 H new ATOM 0 HG21 VAL A 68 32.973 21.943 19.008 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.127 23.688 18.697 1.00 0.00 H new ATOM 0 HG23 VAL A 68 31.832 22.755 17.910 1.00 0.00 H new ATOM 877 N ASN A 69 35.497 23.886 14.438 1.00 0.00 N ATOM 878 CA ASN A 69 36.556 23.520 13.549 1.00 0.00 C ATOM 879 C ASN A 69 36.128 23.141 12.173 1.00 0.00 C ATOM 880 O ASN A 69 36.721 22.275 11.532 1.00 0.00 O ATOM 881 CB ASN A 69 37.437 22.453 14.220 1.00 0.00 C ATOM 882 CG ASN A 69 38.878 22.506 13.733 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.520 23.555 13.775 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.434 21.335 13.324 1.00 0.00 N ATOM 0 H ASN A 69 35.554 24.859 14.740 1.00 0.00 H new ATOM 0 HA ASN A 69 37.147 24.419 13.374 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.415 22.594 15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.024 21.465 14.019 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.413 21.307 13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 69 38.872 20.484 13.302 1.00 0.00 H new ATOM 891 N GLY A 70 35.064 23.783 11.659 1.00 0.00 N ATOM 892 CA GLY A 70 34.484 23.461 10.391 1.00 0.00 C ATOM 893 C GLY A 70 33.314 22.544 10.480 1.00 0.00 C ATOM 894 O GLY A 70 32.536 22.432 9.534 1.00 0.00 O ATOM 0 H GLY A 70 34.592 24.549 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.174 24.383 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.245 23.003 9.760 1.00 0.00 H new ATOM 898 N VAL A 71 33.129 21.839 11.612 1.00 0.00 N ATOM 899 CA VAL A 71 32.100 20.861 11.781 1.00 0.00 C ATOM 900 C VAL A 71 30.949 21.455 12.517 1.00 0.00 C ATOM 901 O VAL A 71 31.081 21.944 13.639 1.00 0.00 O ATOM 902 CB VAL A 71 32.572 19.614 12.468 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.488 18.524 12.403 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.863 19.104 11.805 1.00 0.00 C ATOM 0 H VAL A 71 33.717 21.955 12.438 1.00 0.00 H new ATOM 0 HA VAL A 71 31.786 20.560 10.782 1.00 0.00 H new ATOM 0 HB VAL A 71 32.774 19.848 13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.845 17.625 12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.584 18.880 12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 71 31.266 18.293 11.361 1.00 0.00 H new ATOM 0 HG21 VAL A 71 34.198 18.198 12.310 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.670 18.883 10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.637 19.868 11.879 1.00 0.00 H new ATOM 914 N SER A 72 29.746 21.453 11.916 1.00 0.00 N ATOM 915 CA SER A 72 28.587 22.019 12.534 1.00 0.00 C ATOM 916 C SER A 72 28.048 21.147 13.615 1.00 0.00 C ATOM 917 O SER A 72 27.986 19.926 13.482 1.00 0.00 O ATOM 918 CB SER A 72 27.466 22.310 11.522 1.00 0.00 C ATOM 919 OG SER A 72 26.396 23.047 12.097 1.00 0.00 O ATOM 0 H SER A 72 29.575 21.055 10.993 1.00 0.00 H new ATOM 0 HA SER A 72 28.921 22.962 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.876 22.867 10.680 1.00 0.00 H new ATOM 0 HB3 SER A 72 27.084 21.369 11.126 1.00 0.00 H new ATOM 0 HG SER A 72 25.709 23.210 11.418 1.00 0.00 H new ATOM 925 N LEU A 73 27.631 21.747 14.743 1.00 0.00 N ATOM 926 CA LEU A 73 27.152 21.022 15.880 1.00 0.00 C ATOM 927 C LEU A 73 25.681 20.786 15.856 1.00 0.00 C ATOM 928 O LEU A 73 25.097 20.410 16.872 1.00 0.00 O ATOM 929 CB LEU A 73 27.501 21.729 17.200 1.00 0.00 C ATOM 930 CG LEU A 73 28.997 21.881 17.525 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.119 22.541 18.909 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.756 20.544 17.512 1.00 0.00 C ATOM 0 H LEU A 73 27.626 22.759 14.869 1.00 0.00 H new ATOM 0 HA LEU A 73 27.659 20.059 15.823 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.053 22.723 17.183 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.029 21.181 18.015 1.00 0.00 H new ATOM 0 HG LEU A 73 29.453 22.496 16.749 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.172 22.660 19.164 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.637 23.519 18.890 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.634 21.912 19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.806 20.719 17.749 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.324 19.873 18.254 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.678 20.091 16.524 1.00 0.00 H new ATOM 944 N GLU A 74 24.989 20.993 14.722 1.00 0.00 N ATOM 945 CA GLU A 74 23.571 20.850 14.611 1.00 0.00 C ATOM 946 C GLU A 74 23.067 19.478 14.903 1.00 0.00 C ATOM 947 O GLU A 74 23.320 18.518 14.176 1.00 0.00 O ATOM 948 CB GLU A 74 23.054 21.317 13.241 1.00 0.00 C ATOM 949 CG GLU A 74 22.425 22.712 13.248 1.00 0.00 C ATOM 950 CD GLU A 74 21.080 22.744 13.960 1.00 0.00 C ATOM 951 OE1 GLU A 74 20.132 22.035 13.531 1.00 0.00 O ATOM 952 OE2 GLU A 74 20.944 23.481 14.974 1.00 0.00 O ATOM 0 H GLU A 74 25.435 21.271 13.848 1.00 0.00 H new ATOM 0 HA GLU A 74 23.171 21.500 15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.881 21.308 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.316 20.600 12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.106 23.411 13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.297 23.054 12.221 1.00 0.00 H new ATOM 959 N GLY A 75 22.332 19.344 16.021 1.00 0.00 N ATOM 960 CA GLY A 75 21.777 18.113 16.493 1.00 0.00 C ATOM 961 C GLY A 75 22.666 17.306 17.374 1.00 0.00 C ATOM 962 O GLY A 75 22.277 16.221 17.801 1.00 0.00 O ATOM 0 H GLY A 75 22.114 20.135 16.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.858 18.333 17.037 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.499 17.506 15.632 1.00 0.00 H new ATOM 966 N ALA A 76 23.892 17.779 17.662 1.00 0.00 N ATOM 967 CA ALA A 76 24.848 17.091 18.472 1.00 0.00 C ATOM 968 C ALA A 76 24.540 17.037 19.930 1.00 0.00 C ATOM 969 O ALA A 76 23.961 17.952 20.512 1.00 0.00 O ATOM 970 CB ALA A 76 26.257 17.675 18.272 1.00 0.00 C ATOM 0 H ALA A 76 24.230 18.677 17.316 1.00 0.00 H new ATOM 0 HA ALA A 76 24.797 16.060 18.121 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.967 17.135 18.899 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.547 17.575 17.226 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.257 18.729 18.549 1.00 0.00 H new ATOM 976 N THR A 77 24.943 15.939 20.595 1.00 0.00 N ATOM 977 CA THR A 77 24.809 15.744 22.005 1.00 0.00 C ATOM 978 C THR A 77 26.019 16.178 22.759 1.00 0.00 C ATOM 979 O THR A 77 27.002 16.635 22.177 1.00 0.00 O ATOM 980 CB THR A 77 24.426 14.339 22.366 1.00 0.00 C ATOM 981 OG1 THR A 77 25.386 13.379 21.948 1.00 0.00 O ATOM 982 CG2 THR A 77 23.074 13.985 21.725 1.00 0.00 C ATOM 0 H THR A 77 25.384 15.148 20.125 1.00 0.00 H new ATOM 0 HA THR A 77 23.985 16.389 22.309 1.00 0.00 H new ATOM 0 HB THR A 77 24.367 14.304 23.454 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.088 12.483 22.210 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.802 12.964 21.991 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.309 14.671 22.088 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.152 14.069 20.641 1.00 0.00 H new ATOM 990 N HIS A 78 25.995 16.066 24.099 1.00 0.00 N ATOM 991 CA HIS A 78 27.032 16.475 24.995 1.00 0.00 C ATOM 992 C HIS A 78 28.363 15.865 24.725 1.00 0.00 C ATOM 993 O HIS A 78 29.346 16.568 24.494 1.00 0.00 O ATOM 994 CB HIS A 78 26.634 16.152 26.446 1.00 0.00 C ATOM 995 CG HIS A 78 27.679 16.423 27.488 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.890 15.604 28.579 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.569 17.440 27.624 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.893 16.160 29.310 1.00 0.00 C ATOM 999 NE2 HIS A 78 29.328 17.281 28.766 1.00 0.00 N ATOM 0 H HIS A 78 25.197 15.662 24.589 1.00 0.00 H new ATOM 0 HA HIS A 78 27.138 17.548 24.835 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.743 16.728 26.695 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.358 15.099 26.501 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.669 18.263 26.932 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.285 15.737 30.223 1.00 0.00 H new ATOM 0 HE2 HIS A 78 30.064 17.896 29.113 1.00 0.00 H new ATOM 1007 N LYS A 79 28.449 14.522 24.709 1.00 0.00 N ATOM 1008 CA LYS A 79 29.653 13.784 24.488 1.00 0.00 C ATOM 1009 C LYS A 79 30.316 14.111 23.195 1.00 0.00 C ATOM 1010 O LYS A 79 31.535 14.263 23.122 1.00 0.00 O ATOM 1011 CB LYS A 79 29.370 12.273 24.554 1.00 0.00 C ATOM 1012 CG LYS A 79 30.601 11.369 24.638 1.00 0.00 C ATOM 1013 CD LYS A 79 31.379 11.446 25.953 1.00 0.00 C ATOM 1014 CE LYS A 79 30.556 11.031 27.175 1.00 0.00 C ATOM 1015 NZ LYS A 79 31.426 10.790 28.347 1.00 0.00 N ATOM 0 H LYS A 79 27.638 13.922 24.858 1.00 0.00 H new ATOM 0 HA LYS A 79 30.341 14.075 25.282 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.739 12.078 25.421 1.00 0.00 H new ATOM 0 HB3 LYS A 79 28.795 11.991 23.672 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.285 10.338 24.481 1.00 0.00 H new ATOM 0 HG3 LYS A 79 31.275 11.624 23.820 1.00 0.00 H new ATOM 0 HD2 LYS A 79 32.259 10.806 25.883 1.00 0.00 H new ATOM 0 HD3 LYS A 79 31.737 12.466 26.095 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.831 11.810 27.411 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.990 10.128 26.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 30.842 10.510 29.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 32.101 10.030 28.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 31.947 11.660 28.577 1.00 0.00 H new ATOM 1029 N GLN A 80 29.518 14.297 22.128 1.00 0.00 N ATOM 1030 CA GLN A 80 29.932 14.630 20.801 1.00 0.00 C ATOM 1031 C GLN A 80 30.743 15.877 20.718 1.00 0.00 C ATOM 1032 O GLN A 80 31.833 15.899 20.150 1.00 0.00 O ATOM 1033 CB GLN A 80 28.660 14.730 19.942 1.00 0.00 C ATOM 1034 CG GLN A 80 28.779 14.185 18.518 1.00 0.00 C ATOM 1035 CD GLN A 80 29.809 14.884 17.643 1.00 0.00 C ATOM 1036 OE1 GLN A 80 30.713 14.260 17.088 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.651 16.223 17.469 1.00 0.00 N ATOM 0 H GLN A 80 28.505 14.207 22.201 1.00 0.00 H new ATOM 0 HA GLN A 80 30.599 13.850 20.435 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.857 14.196 20.450 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.362 15.777 19.887 1.00 0.00 H new ATOM 0 HG2 GLN A 80 29.029 13.125 18.571 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.805 14.259 18.035 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.892 16.713 17.943 1.00 0.00 H new ATOM 0 HE22 GLN A 80 30.292 16.738 16.865 1.00 0.00 H new ATOM 1046 N ALA A 81 30.246 16.971 21.324 1.00 0.00 N ATOM 1047 CA ALA A 81 30.913 18.229 21.461 1.00 0.00 C ATOM 1048 C ALA A 81 32.159 18.173 22.275 1.00 0.00 C ATOM 1049 O ALA A 81 33.170 18.759 21.892 1.00 0.00 O ATOM 1050 CB ALA A 81 29.933 19.239 22.083 1.00 0.00 C ATOM 0 H ALA A 81 29.317 16.976 21.746 1.00 0.00 H new ATOM 0 HA ALA A 81 31.225 18.534 20.462 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.427 20.204 22.194 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.064 19.349 21.435 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.613 18.880 23.061 1.00 0.00 H new ATOM 1056 N VAL A 82 32.179 17.435 23.399 1.00 0.00 N ATOM 1057 CA VAL A 82 33.315 17.258 24.249 1.00 0.00 C ATOM 1058 C VAL A 82 34.412 16.545 23.535 1.00 0.00 C ATOM 1059 O VAL A 82 35.553 17.005 23.510 1.00 0.00 O ATOM 1060 CB VAL A 82 32.976 16.525 25.513 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.222 16.193 26.350 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.036 17.404 26.356 1.00 0.00 C ATOM 0 H VAL A 82 31.356 16.934 23.733 1.00 0.00 H new ATOM 0 HA VAL A 82 33.652 18.258 24.523 1.00 0.00 H new ATOM 0 HB VAL A 82 32.502 15.584 25.235 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.922 15.663 27.254 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.895 15.564 25.767 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.733 17.116 26.623 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.781 16.883 27.279 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.534 18.344 26.595 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.126 17.609 25.792 1.00 0.00 H new ATOM 1072 N GLU A 83 34.091 15.419 22.875 1.00 0.00 N ATOM 1073 CA GLU A 83 35.009 14.636 22.106 1.00 0.00 C ATOM 1074 C GLU A 83 35.607 15.394 20.972 1.00 0.00 C ATOM 1075 O GLU A 83 36.801 15.293 20.694 1.00 0.00 O ATOM 1076 CB GLU A 83 34.330 13.365 21.567 1.00 0.00 C ATOM 1077 CG GLU A 83 34.030 12.319 22.642 1.00 0.00 C ATOM 1078 CD GLU A 83 35.177 11.344 22.871 1.00 0.00 C ATOM 1079 OE1 GLU A 83 36.309 11.783 23.210 1.00 0.00 O ATOM 1080 OE2 GLU A 83 34.953 10.118 22.693 1.00 0.00 O ATOM 0 H GLU A 83 33.146 15.035 22.877 1.00 0.00 H new ATOM 0 HA GLU A 83 35.816 14.364 22.786 1.00 0.00 H new ATOM 0 HB2 GLU A 83 33.398 13.644 21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.970 12.917 20.807 1.00 0.00 H new ATOM 0 HG2 GLU A 83 33.801 12.827 23.579 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.139 11.760 22.357 1.00 0.00 H new ATOM 1087 N THR A 84 34.782 16.228 20.312 1.00 0.00 N ATOM 1088 CA THR A 84 35.138 17.154 19.282 1.00 0.00 C ATOM 1089 C THR A 84 36.067 18.220 19.752 1.00 0.00 C ATOM 1090 O THR A 84 37.103 18.449 19.130 1.00 0.00 O ATOM 1091 CB THR A 84 33.920 17.773 18.663 1.00 0.00 C ATOM 1092 OG1 THR A 84 33.166 16.796 17.962 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.242 18.868 17.633 1.00 0.00 C ATOM 0 H THR A 84 33.783 16.255 20.518 1.00 0.00 H new ATOM 0 HA THR A 84 35.668 16.572 18.528 1.00 0.00 H new ATOM 0 HB THR A 84 33.373 18.206 19.501 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.654 16.257 18.601 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.314 19.270 17.227 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.804 19.668 18.116 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.837 18.443 16.825 1.00 0.00 H new ATOM 1101 N LEU A 85 35.784 18.909 20.872 1.00 0.00 N ATOM 1102 CA LEU A 85 36.628 19.920 21.428 1.00 0.00 C ATOM 1103 C LEU A 85 37.931 19.417 21.948 1.00 0.00 C ATOM 1104 O LEU A 85 38.943 20.116 21.924 1.00 0.00 O ATOM 1105 CB LEU A 85 35.898 20.669 22.554 1.00 0.00 C ATOM 1106 CG LEU A 85 34.763 21.582 22.057 1.00 0.00 C ATOM 1107 CD1 LEU A 85 33.855 22.002 23.226 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.304 22.830 21.340 1.00 0.00 C ATOM 0 H LEU A 85 34.932 18.755 21.412 1.00 0.00 H new ATOM 0 HA LEU A 85 36.857 20.588 20.598 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.487 19.942 23.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.620 21.270 23.106 1.00 0.00 H new ATOM 0 HG LEU A 85 34.180 21.008 21.337 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.059 22.647 22.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.419 21.115 23.685 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.443 22.542 23.968 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.470 23.447 21.005 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.927 23.403 22.027 1.00 0.00 H new ATOM 0 HD23 LEU A 85 35.899 22.526 20.479 1.00 0.00 H new ATOM 1120 N ARG A 86 37.980 18.157 22.417 1.00 0.00 N ATOM 1121 CA ARG A 86 39.193 17.472 22.739 1.00 0.00 C ATOM 1122 C ARG A 86 40.003 17.158 21.528 1.00 0.00 C ATOM 1123 O ARG A 86 41.191 17.471 21.466 1.00 0.00 O ATOM 1124 CB ARG A 86 38.915 16.211 23.574 1.00 0.00 C ATOM 1125 CG ARG A 86 39.075 16.419 25.081 1.00 0.00 C ATOM 1126 CD ARG A 86 38.096 17.396 25.735 1.00 0.00 C ATOM 1127 NE ARG A 86 38.572 17.560 27.137 1.00 0.00 N ATOM 1128 CZ ARG A 86 38.077 18.482 28.014 1.00 0.00 C ATOM 1129 NH1 ARG A 86 36.923 19.177 27.792 1.00 0.00 N ATOM 1130 NH2 ARG A 86 38.749 18.736 29.175 1.00 0.00 N ATOM 0 H ARG A 86 37.144 17.595 22.578 1.00 0.00 H new ATOM 0 HA ARG A 86 39.791 18.151 23.348 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.901 15.868 23.370 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.590 15.418 23.253 1.00 0.00 H new ATOM 0 HG2 ARG A 86 38.974 15.452 25.573 1.00 0.00 H new ATOM 0 HG3 ARG A 86 40.089 16.770 25.273 1.00 0.00 H new ATOM 0 HD2 ARG A 86 38.086 18.351 25.210 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.078 17.007 25.709 1.00 0.00 H new ATOM 0 HE ARG A 86 39.316 16.943 27.463 1.00 0.00 H new ATOM 0 HH11 ARG A 86 36.388 19.018 26.938 1.00 0.00 H new ATOM 0 HH12 ARG A 86 36.596 19.856 28.480 1.00 0.00 H new ATOM 0 HH21 ARG A 86 39.615 18.238 29.382 1.00 0.00 H new ATOM 0 HH22 ARG A 86 38.385 19.423 29.835 1.00 0.00 H new ATOM 1144 N ASN A 87 39.398 16.570 20.480 1.00 0.00 N ATOM 1145 CA ASN A 87 40.053 16.262 19.247 1.00 0.00 C ATOM 1146 C ASN A 87 40.059 17.430 18.321 1.00 0.00 C ATOM 1147 O ASN A 87 39.493 17.423 17.229 1.00 0.00 O ATOM 1148 CB ASN A 87 39.447 14.997 18.617 1.00 0.00 C ATOM 1149 CG ASN A 87 40.420 14.340 17.649 1.00 0.00 C ATOM 1150 OD1 ASN A 87 41.328 14.961 17.100 1.00 0.00 O ATOM 1151 ND2 ASN A 87 40.254 13.006 17.439 1.00 0.00 N ATOM 0 H ASN A 87 38.415 16.299 20.492 1.00 0.00 H new ATOM 0 HA ASN A 87 41.101 16.044 19.455 1.00 0.00 H new ATOM 0 HB2 ASN A 87 39.179 14.290 19.402 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.527 15.255 18.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 40.889 12.505 16.817 1.00 0.00 H new ATOM 0 HD22 ASN A 87 39.495 12.507 17.903 1.00 0.00 H new ATOM 1158 N THR A 88 40.764 18.492 18.749 1.00 0.00 N ATOM 1159 CA THR A 88 41.078 19.700 18.050 1.00 0.00 C ATOM 1160 C THR A 88 42.515 19.681 17.657 1.00 0.00 C ATOM 1161 O THR A 88 43.315 18.949 18.238 1.00 0.00 O ATOM 1162 CB THR A 88 40.820 20.922 18.880 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.226 20.740 20.228 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.310 21.216 18.894 1.00 0.00 C ATOM 0 H THR A 88 41.156 18.502 19.690 1.00 0.00 H new ATOM 0 HA THR A 88 40.432 19.748 17.173 1.00 0.00 H new ATOM 0 HB THR A 88 41.390 21.740 18.439 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.443 20.533 20.780 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.118 22.104 19.496 1.00 0.00 H new ATOM 0 HG22 THR A 88 38.963 21.387 17.875 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.778 20.366 19.321 1.00 0.00 H new ATOM 1172 N GLY A 89 42.915 20.497 16.666 1.00 0.00 N ATOM 1173 CA GLY A 89 44.269 20.635 16.229 1.00 0.00 C ATOM 1174 C GLY A 89 44.976 21.720 16.968 1.00 0.00 C ATOM 1175 O GLY A 89 44.542 22.143 18.038 1.00 0.00 O ATOM 0 H GLY A 89 42.265 21.087 16.146 1.00 0.00 H new ATOM 0 HA2 GLY A 89 44.796 19.692 16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.287 20.850 15.161 1.00 0.00 H new ATOM 1179 N GLN A 90 46.125 22.195 16.456 1.00 0.00 N ATOM 1180 CA GLN A 90 46.881 23.242 17.072 1.00 0.00 C ATOM 1181 C GLN A 90 46.177 24.556 17.064 1.00 0.00 C ATOM 1182 O GLN A 90 46.026 25.193 18.105 1.00 0.00 O ATOM 1183 CB GLN A 90 48.273 23.375 16.433 1.00 0.00 C ATOM 1184 CG GLN A 90 49.248 24.265 17.207 1.00 0.00 C ATOM 1185 CD GLN A 90 50.567 24.407 16.459 1.00 0.00 C ATOM 1186 OE1 GLN A 90 50.755 23.915 15.348 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.540 25.120 17.086 1.00 0.00 N ATOM 0 H GLN A 90 46.539 21.843 15.593 1.00 0.00 H new ATOM 0 HA GLN A 90 46.998 22.952 18.116 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.709 22.381 16.334 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.159 23.774 15.425 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.805 25.249 17.360 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.429 23.840 18.194 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.365 25.521 18.008 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.445 25.254 16.635 1.00 0.00 H new ATOM 1196 N VAL A 91 45.713 25.011 15.886 1.00 0.00 N ATOM 1197 CA VAL A 91 44.854 26.149 15.776 1.00 0.00 C ATOM 1198 C VAL A 91 43.455 25.659 15.631 1.00 0.00 C ATOM 1199 O VAL A 91 43.145 24.753 14.859 1.00 0.00 O ATOM 1200 CB VAL A 91 45.227 27.098 14.675 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.289 28.316 14.636 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.668 27.571 14.925 1.00 0.00 C ATOM 0 H VAL A 91 45.940 24.579 14.990 1.00 0.00 H new ATOM 0 HA VAL A 91 44.962 26.742 16.684 1.00 0.00 H new ATOM 0 HB VAL A 91 45.140 26.584 13.718 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.590 28.981 13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.265 27.981 14.470 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.347 28.850 15.584 1.00 0.00 H new ATOM 0 HG21 VAL A 91 46.965 28.264 14.138 1.00 0.00 H new ATOM 0 HG22 VAL A 91 46.724 28.074 15.890 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.338 26.711 14.924 1.00 0.00 H new ATOM 1212 N VAL A 92 42.560 26.223 16.462 1.00 0.00 N ATOM 1213 CA VAL A 92 41.231 25.777 16.746 1.00 0.00 C ATOM 1214 C VAL A 92 40.284 26.842 16.310 1.00 0.00 C ATOM 1215 O VAL A 92 40.451 28.004 16.676 1.00 0.00 O ATOM 1216 CB VAL A 92 41.106 25.549 18.223 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.708 25.006 18.568 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.161 24.511 18.640 1.00 0.00 C ATOM 0 H VAL A 92 42.790 27.070 16.982 1.00 0.00 H new ATOM 0 HA VAL A 92 41.007 24.848 16.221 1.00 0.00 H new ATOM 0 HB VAL A 92 41.256 26.492 18.750 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.635 24.846 19.644 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.951 25.725 18.256 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.546 24.061 18.049 1.00 0.00 H new ATOM 0 HG21 VAL A 92 42.089 24.329 19.712 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.988 23.579 18.101 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.156 24.888 18.402 1.00 0.00 H new ATOM 1228 N HIS A 93 39.261 26.497 15.508 1.00 0.00 N ATOM 1229 CA HIS A 93 38.414 27.458 14.873 1.00 0.00 C ATOM 1230 C HIS A 93 36.979 27.313 15.248 1.00 0.00 C ATOM 1231 O HIS A 93 36.228 26.582 14.605 1.00 0.00 O ATOM 1232 CB HIS A 93 38.517 27.339 13.343 1.00 0.00 C ATOM 1233 CG HIS A 93 39.925 27.235 12.838 1.00 0.00 C ATOM 1234 ND1 HIS A 93 40.612 26.045 12.708 1.00 0.00 N ATOM 1235 CD2 HIS A 93 40.781 28.201 12.411 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.842 26.348 12.213 1.00 0.00 C ATOM 1237 NE2 HIS A 93 41.973 27.644 11.996 1.00 0.00 N ATOM 0 H HIS A 93 39.017 25.529 15.296 1.00 0.00 H new ATOM 0 HA HIS A 93 38.763 28.432 15.217 1.00 0.00 H new ATOM 0 HB2 HIS A 93 37.958 26.461 13.018 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.041 28.207 12.887 1.00 0.00 H new ATOM 0 HD1 HIS A 93 40.263 25.115 12.939 1.00 0.00 H new ATOM 0 HD2 HIS A 93 40.559 29.258 12.398 1.00 0.00 H new ATOM 0 HE1 HIS A 93 42.616 25.619 12.021 1.00 0.00 H new ATOM 1245 N LEU A 94 36.487 28.021 16.280 1.00 0.00 N ATOM 1246 CA LEU A 94 35.095 27.966 16.605 1.00 0.00 C ATOM 1247 C LEU A 94 34.304 28.982 15.854 1.00 0.00 C ATOM 1248 O LEU A 94 34.765 30.099 15.629 1.00 0.00 O ATOM 1249 CB LEU A 94 34.743 28.243 18.077 1.00 0.00 C ATOM 1250 CG LEU A 94 35.551 27.475 19.137 1.00 0.00 C ATOM 1251 CD1 LEU A 94 34.961 27.770 20.526 1.00 0.00 C ATOM 1252 CD2 LEU A 94 35.549 25.960 18.870 1.00 0.00 C ATOM 0 H LEU A 94 37.045 28.625 16.883 1.00 0.00 H new ATOM 0 HA LEU A 94 34.850 26.936 16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 94 34.867 29.310 18.262 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.687 28.015 18.223 1.00 0.00 H new ATOM 0 HG LEU A 94 36.587 27.809 19.091 1.00 0.00 H new ATOM 0 HD11 LEU A 94 35.528 27.230 21.284 1.00 0.00 H new ATOM 0 HD12 LEU A 94 35.017 28.840 20.725 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.920 27.450 20.554 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.130 25.454 19.641 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.524 25.589 18.886 1.00 0.00 H new ATOM 0 HD23 LEU A 94 35.991 25.762 17.894 1.00 0.00 H new ATOM 1264 N LEU A 95 33.049 28.644 15.509 1.00 0.00 N ATOM 1265 CA LEU A 95 32.061 29.599 15.113 1.00 0.00 C ATOM 1266 C LEU A 95 31.129 29.754 16.264 1.00 0.00 C ATOM 1267 O LEU A 95 30.497 28.793 16.698 1.00 0.00 O ATOM 1268 CB LEU A 95 31.300 29.167 13.847 1.00 0.00 C ATOM 1269 CG LEU A 95 30.361 30.241 13.272 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.125 31.407 12.620 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.375 29.639 12.256 1.00 0.00 C ATOM 0 H LEU A 95 32.712 27.681 15.505 1.00 0.00 H new ATOM 0 HA LEU A 95 32.541 30.544 14.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.023 28.886 13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 95 30.716 28.276 14.076 1.00 0.00 H new ATOM 0 HG LEU A 95 29.804 30.638 14.121 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.414 32.136 12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.764 31.884 13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.739 31.028 11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.726 30.425 11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.930 29.189 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 95 28.769 28.876 12.745 1.00 0.00 H new ATOM 1283 N LEU A 96 31.066 30.964 16.849 1.00 0.00 N ATOM 1284 CA LEU A 96 30.488 31.187 18.138 1.00 0.00 C ATOM 1285 C LEU A 96 29.552 32.346 18.135 1.00 0.00 C ATOM 1286 O LEU A 96 29.812 33.382 17.525 1.00 0.00 O ATOM 1287 CB LEU A 96 31.662 31.354 19.118 1.00 0.00 C ATOM 1288 CG LEU A 96 31.335 31.428 20.619 1.00 0.00 C ATOM 1289 CD1 LEU A 96 32.412 30.665 21.410 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.269 32.888 21.095 1.00 0.00 C ATOM 0 H LEU A 96 31.428 31.812 16.412 1.00 0.00 H new ATOM 0 HA LEU A 96 29.867 30.345 18.445 1.00 0.00 H new ATOM 0 HB2 LEU A 96 32.348 30.521 18.965 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.199 32.263 18.846 1.00 0.00 H new ATOM 0 HG LEU A 96 30.359 30.973 20.790 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.185 30.714 22.475 1.00 0.00 H new ATOM 0 HD12 LEU A 96 32.428 29.623 21.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.387 31.116 21.226 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.036 32.913 22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 96 32.231 33.371 20.922 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.493 33.416 20.541 1.00 0.00 H new ATOM 1302 N GLU A 97 28.387 32.207 18.795 1.00 0.00 N ATOM 1303 CA GLU A 97 27.416 33.250 18.908 1.00 0.00 C ATOM 1304 C GLU A 97 27.398 33.755 20.309 1.00 0.00 C ATOM 1305 O GLU A 97 27.272 32.980 21.256 1.00 0.00 O ATOM 1306 CB GLU A 97 26.014 32.785 18.480 1.00 0.00 C ATOM 1307 CG GLU A 97 25.088 33.954 18.141 1.00 0.00 C ATOM 1308 CD GLU A 97 23.711 33.579 17.610 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.323 32.380 17.574 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.960 34.522 17.244 1.00 0.00 O ATOM 0 H GLU A 97 28.113 31.343 19.263 1.00 0.00 H new ATOM 0 HA GLU A 97 27.700 34.055 18.230 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.101 32.131 17.612 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.570 32.194 19.281 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.958 34.561 19.037 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.583 34.582 17.400 1.00 0.00 H new ATOM 1317 N LYS A 98 27.548 35.075 20.518 1.00 0.00 N ATOM 1318 CA LYS A 98 27.668 35.627 21.832 1.00 0.00 C ATOM 1319 C LYS A 98 26.350 35.770 22.511 1.00 0.00 C ATOM 1320 O LYS A 98 25.341 36.162 21.928 1.00 0.00 O ATOM 1321 CB LYS A 98 28.411 36.972 21.782 1.00 0.00 C ATOM 1322 CG LYS A 98 29.162 37.374 23.052 1.00 0.00 C ATOM 1323 CD LYS A 98 28.362 38.156 24.096 1.00 0.00 C ATOM 1324 CE LYS A 98 28.735 37.766 25.528 1.00 0.00 C ATOM 1325 NZ LYS A 98 27.890 38.493 26.502 1.00 0.00 N ATOM 0 H LYS A 98 27.586 35.766 19.769 1.00 0.00 H new ATOM 0 HA LYS A 98 28.251 34.924 22.427 1.00 0.00 H new ATOM 0 HB2 LYS A 98 29.124 36.940 20.958 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.689 37.754 21.548 1.00 0.00 H new ATOM 0 HG2 LYS A 98 29.546 36.469 23.523 1.00 0.00 H new ATOM 0 HG3 LYS A 98 30.025 37.974 22.763 1.00 0.00 H new ATOM 0 HD2 LYS A 98 28.533 39.223 23.957 1.00 0.00 H new ATOM 0 HD3 LYS A 98 27.297 37.981 23.940 1.00 0.00 H new ATOM 0 HE2 LYS A 98 28.612 36.691 25.662 1.00 0.00 H new ATOM 0 HE3 LYS A 98 29.786 37.991 25.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 28.157 38.216 27.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 28.028 39.517 26.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 26.890 38.257 26.338 1.00 0.00 H new