USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot -172:sc= 0.305 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.8!) USER MOD Single : A 15 SER OG : rot 39:sc= 0.0238 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.924 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 156:sc=-0.00769 (180deg=-0.465) USER MOD Single : A 30 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.484 (180deg=-1.41) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 43 GLN : amide:sc= -4.67! C(o=-4.7!,f=-9.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0145) USER MOD Single : A 57 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 70 THR OG1 : rot 116:sc= -1.9! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -153:sc= -0.072 (180deg=-0.466) USER MOD Single : A 74 MET CE :methyl -145:sc= -2.48 (180deg=-10.1!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.551 1.194 -3.006 1.00 42.24 N ATOM 19 CA ALA A 2 5.256 2.440 -3.280 1.00 40.34 C ATOM 20 C ALA A 2 4.288 3.533 -3.723 1.00 23.43 C ATOM 21 O ALA A 2 3.263 3.253 -4.346 1.00 43.22 O ATOM 22 CB ALA A 2 6.326 2.220 -4.340 1.00 32.34 C ATOM 0 HA ALA A 2 5.736 2.767 -2.357 1.00 40.34 H new ATOM 0 HB1 ALA A 2 6.844 3.159 -4.534 1.00 32.34 H new ATOM 0 HB2 ALA A 2 7.041 1.477 -3.986 1.00 32.34 H new ATOM 0 HB3 ALA A 2 5.860 1.866 -5.259 1.00 32.34 H new ATOM 28 N LEU A 3 4.619 4.777 -3.396 1.00 51.12 N ATOM 29 CA LEU A 3 3.778 5.913 -3.760 1.00 22.54 C ATOM 30 C LEU A 3 4.438 6.753 -4.848 1.00 63.43 C ATOM 31 O LEU A 3 5.436 7.437 -4.619 1.00 72.04 O ATOM 32 CB LEU A 3 3.498 6.779 -2.530 1.00 61.04 C ATOM 33 CG LEU A 3 2.081 6.698 -1.961 1.00 3.11 C ATOM 34 CD1 LEU A 3 1.974 7.511 -0.680 1.00 54.12 C ATOM 35 CD2 LEU A 3 1.066 7.179 -2.987 1.00 72.01 C ATOM 0 H LEU A 3 5.463 5.025 -2.880 1.00 51.12 H new ATOM 0 HA LEU A 3 2.835 5.527 -4.148 1.00 22.54 H new ATOM 0 HB2 LEU A 3 4.200 6.498 -1.745 1.00 61.04 H new ATOM 0 HB3 LEU A 3 3.706 7.818 -2.787 1.00 61.04 H new ATOM 0 HG LEU A 3 1.863 5.656 -1.725 1.00 3.11 H new ATOM 0 HD11 LEU A 3 0.959 7.442 -0.289 1.00 54.12 H new ATOM 0 HD12 LEU A 3 2.675 7.121 0.058 1.00 54.12 H new ATOM 0 HD13 LEU A 3 2.212 8.554 -0.890 1.00 54.12 H new ATOM 0 HD21 LEU A 3 0.063 7.114 -2.565 1.00 72.01 H new ATOM 0 HD22 LEU A 3 1.281 8.214 -3.254 1.00 72.01 H new ATOM 0 HD23 LEU A 3 1.125 6.554 -3.878 1.00 72.01 H new ATOM 47 N PRO A 4 3.869 6.703 -6.062 1.00 32.54 N ATOM 48 CA PRO A 4 4.384 7.455 -7.209 1.00 53.04 C ATOM 49 C PRO A 4 4.167 8.957 -7.062 1.00 4.20 C ATOM 50 O PRO A 4 3.274 9.397 -6.338 1.00 31.23 O ATOM 51 CB PRO A 4 3.569 6.910 -8.385 1.00 52.32 C ATOM 52 CG PRO A 4 2.305 6.414 -7.772 1.00 71.13 C ATOM 53 CD PRO A 4 2.678 5.908 -6.406 1.00 71.13 C ATOM 0 HA PRO A 4 5.461 7.333 -7.326 1.00 53.04 H new ATOM 0 HB2 PRO A 4 3.372 7.687 -9.124 1.00 52.32 H new ATOM 0 HB3 PRO A 4 4.101 6.109 -8.898 1.00 52.32 H new ATOM 0 HG2 PRO A 4 1.565 7.211 -7.704 1.00 71.13 H new ATOM 0 HG3 PRO A 4 1.864 5.620 -8.375 1.00 71.13 H new ATOM 0 HD2 PRO A 4 1.872 6.059 -5.687 1.00 71.13 H new ATOM 0 HD3 PRO A 4 2.897 4.840 -6.419 1.00 71.13 H new ATOM 61 N ILE A 5 4.990 9.739 -7.753 1.00 12.31 N ATOM 62 CA ILE A 5 4.887 11.192 -7.699 1.00 55.34 C ATOM 63 C ILE A 5 5.358 11.825 -9.004 1.00 51.41 C ATOM 64 O ILE A 5 6.385 11.435 -9.560 1.00 21.34 O ATOM 65 CB ILE A 5 5.709 11.773 -6.534 1.00 20.43 C ATOM 66 CG1 ILE A 5 5.283 11.131 -5.211 1.00 44.05 C ATOM 67 CG2 ILE A 5 5.547 13.284 -6.472 1.00 33.01 C ATOM 68 CD1 ILE A 5 5.977 11.720 -4.003 1.00 62.12 C ATOM 0 H ILE A 5 5.735 9.391 -8.356 1.00 12.31 H new ATOM 0 HA ILE A 5 3.834 11.428 -7.542 1.00 55.34 H new ATOM 0 HB ILE A 5 6.762 11.547 -6.704 1.00 20.43 H new ATOM 0 HG12 ILE A 5 4.205 11.244 -5.092 1.00 44.05 H new ATOM 0 HG13 ILE A 5 5.489 10.061 -5.253 1.00 44.05 H new ATOM 0 HG21 ILE A 5 6.134 13.679 -5.643 1.00 33.01 H new ATOM 0 HG22 ILE A 5 5.894 13.726 -7.406 1.00 33.01 H new ATOM 0 HG23 ILE A 5 4.496 13.531 -6.322 1.00 33.01 H new ATOM 0 HD11 ILE A 5 5.627 11.218 -3.101 1.00 62.12 H new ATOM 0 HD12 ILE A 5 7.054 11.583 -4.100 1.00 62.12 H new ATOM 0 HD13 ILE A 5 5.751 12.784 -3.936 1.00 62.12 H new ATOM 80 N ILE A 6 4.602 12.805 -9.487 1.00 14.53 N ATOM 81 CA ILE A 6 4.944 13.495 -10.725 1.00 32.14 C ATOM 82 C ILE A 6 5.731 14.771 -10.444 1.00 33.41 C ATOM 83 O ILE A 6 5.441 15.495 -9.492 1.00 13.12 O ATOM 84 CB ILE A 6 3.685 13.850 -11.538 1.00 10.13 C ATOM 85 CG1 ILE A 6 3.133 12.605 -12.234 1.00 60.43 C ATOM 86 CG2 ILE A 6 4.001 14.937 -12.555 1.00 35.52 C ATOM 87 CD1 ILE A 6 1.640 12.429 -12.065 1.00 41.32 C ATOM 0 H ILE A 6 3.748 13.139 -9.040 1.00 14.53 H new ATOM 0 HA ILE A 6 5.561 12.811 -11.307 1.00 32.14 H new ATOM 0 HB ILE A 6 2.924 14.228 -10.856 1.00 10.13 H new ATOM 0 HG12 ILE A 6 3.366 12.660 -13.297 1.00 60.43 H new ATOM 0 HG13 ILE A 6 3.641 11.724 -11.842 1.00 60.43 H new ATOM 0 HG21 ILE A 6 3.102 15.177 -13.122 1.00 35.52 H new ATOM 0 HG22 ILE A 6 4.352 15.829 -12.037 1.00 35.52 H new ATOM 0 HG23 ILE A 6 4.776 14.584 -13.236 1.00 35.52 H new ATOM 0 HD11 ILE A 6 1.319 11.526 -12.585 1.00 41.32 H new ATOM 0 HD12 ILE A 6 1.402 12.342 -11.005 1.00 41.32 H new ATOM 0 HD13 ILE A 6 1.122 13.292 -12.483 1.00 41.32 H new ATOM 99 N VAL A 7 6.728 15.041 -11.281 1.00 33.43 N ATOM 100 CA VAL A 7 7.555 16.231 -11.125 1.00 24.21 C ATOM 101 C VAL A 7 7.614 17.033 -12.420 1.00 74.00 C ATOM 102 O VAL A 7 8.005 16.516 -13.467 1.00 14.02 O ATOM 103 CB VAL A 7 8.989 15.865 -10.695 1.00 54.44 C ATOM 104 CG1 VAL A 7 9.639 14.955 -11.725 1.00 62.35 C ATOM 105 CG2 VAL A 7 9.818 17.123 -10.484 1.00 50.01 C ATOM 0 H VAL A 7 6.982 14.452 -12.074 1.00 33.43 H new ATOM 0 HA VAL A 7 7.093 16.838 -10.346 1.00 24.21 H new ATOM 0 HB VAL A 7 8.940 15.326 -9.749 1.00 54.44 H new ATOM 0 HG11 VAL A 7 10.651 14.707 -11.404 1.00 62.35 H new ATOM 0 HG12 VAL A 7 9.055 14.040 -11.822 1.00 62.35 H new ATOM 0 HG13 VAL A 7 9.678 15.465 -12.688 1.00 62.35 H new ATOM 0 HG21 VAL A 7 10.828 16.847 -10.181 1.00 50.01 H new ATOM 0 HG22 VAL A 7 9.861 17.691 -11.414 1.00 50.01 H new ATOM 0 HG23 VAL A 7 9.360 17.734 -9.706 1.00 50.01 H new ATOM 115 N LYS A 8 7.222 18.300 -12.342 1.00 43.45 N ATOM 116 CA LYS A 8 7.231 19.177 -13.508 1.00 20.04 C ATOM 117 C LYS A 8 8.343 20.216 -13.399 1.00 33.24 C ATOM 118 O LYS A 8 8.402 20.976 -12.432 1.00 31.30 O ATOM 119 CB LYS A 8 5.878 19.876 -13.656 1.00 12.24 C ATOM 120 CG LYS A 8 5.586 20.877 -12.551 1.00 23.02 C ATOM 121 CD LYS A 8 4.094 21.008 -12.297 1.00 51.51 C ATOM 122 CE LYS A 8 3.361 21.513 -13.531 1.00 21.12 C ATOM 123 NZ LYS A 8 2.691 22.819 -13.282 1.00 52.33 N ATOM 0 H LYS A 8 6.894 18.743 -11.484 1.00 43.45 H new ATOM 0 HA LYS A 8 7.415 18.565 -14.391 1.00 20.04 H new ATOM 0 HB2 LYS A 8 5.847 20.389 -14.617 1.00 12.24 H new ATOM 0 HB3 LYS A 8 5.089 19.124 -13.671 1.00 12.24 H new ATOM 0 HG2 LYS A 8 6.086 20.564 -11.634 1.00 23.02 H new ATOM 0 HG3 LYS A 8 5.997 21.850 -12.822 1.00 23.02 H new ATOM 0 HD2 LYS A 8 3.688 20.041 -12.002 1.00 51.51 H new ATOM 0 HD3 LYS A 8 3.924 21.692 -11.466 1.00 51.51 H new ATOM 0 HE2 LYS A 8 4.067 21.618 -14.355 1.00 21.12 H new ATOM 0 HE3 LYS A 8 2.619 20.777 -13.839 1.00 21.12 H new ATOM 0 HZ1 LYS A 8 2.203 23.129 -14.146 1.00 52.33 H new ATOM 0 HZ2 LYS A 8 1.999 22.713 -12.513 1.00 52.33 H new ATOM 0 HZ3 LYS A 8 3.402 23.528 -13.013 1.00 52.33 H new ATOM 137 N TRP A 9 9.220 20.244 -14.396 1.00 34.55 N ATOM 138 CA TRP A 9 10.329 21.191 -14.412 1.00 35.15 C ATOM 139 C TRP A 9 10.319 22.019 -15.692 1.00 34.03 C ATOM 140 O TRP A 9 10.717 21.542 -16.754 1.00 14.24 O ATOM 141 CB TRP A 9 11.660 20.451 -14.279 1.00 25.34 C ATOM 142 CG TRP A 9 12.826 21.225 -14.815 1.00 4.14 C ATOM 143 CD1 TRP A 9 13.662 20.852 -15.828 1.00 72.24 C ATOM 144 CD2 TRP A 9 13.287 22.503 -14.363 1.00 14.50 C ATOM 145 NE1 TRP A 9 14.614 21.821 -16.034 1.00 54.23 N ATOM 146 CE2 TRP A 9 14.405 22.845 -15.149 1.00 13.12 C ATOM 147 CE3 TRP A 9 12.862 23.394 -13.373 1.00 71.41 C ATOM 148 CZ2 TRP A 9 15.102 24.037 -14.972 1.00 54.55 C ATOM 149 CZ3 TRP A 9 13.555 24.576 -13.199 1.00 52.52 C ATOM 150 CH2 TRP A 9 14.664 24.890 -13.996 1.00 10.31 C ATOM 0 H TRP A 9 9.185 19.622 -15.204 1.00 34.55 H new ATOM 0 HA TRP A 9 10.210 21.866 -13.564 1.00 35.15 H new ATOM 0 HB2 TRP A 9 11.837 20.222 -13.228 1.00 25.34 H new ATOM 0 HB3 TRP A 9 11.592 19.499 -14.805 1.00 25.34 H new ATOM 0 HD1 TRP A 9 13.586 19.930 -16.386 1.00 72.24 H new ATOM 0 HE1 TRP A 9 15.356 21.784 -16.733 1.00 54.23 H new ATOM 0 HE3 TRP A 9 12.007 23.162 -12.755 1.00 71.41 H new ATOM 0 HZ2 TRP A 9 15.958 24.280 -15.584 1.00 54.55 H new ATOM 0 HZ3 TRP A 9 13.237 25.270 -12.435 1.00 52.52 H new ATOM 0 HH2 TRP A 9 15.183 25.824 -13.837 1.00 10.31 H new ATOM 161 N GLY A 10 9.861 23.263 -15.584 1.00 31.33 N ATOM 162 CA GLY A 10 9.808 24.137 -16.741 1.00 22.11 C ATOM 163 C GLY A 10 8.496 24.026 -17.492 1.00 1.43 C ATOM 164 O GLY A 10 7.609 24.864 -17.332 1.00 61.22 O ATOM 0 H GLY A 10 9.526 23.681 -14.716 1.00 31.33 H new ATOM 0 HA2 GLY A 10 9.953 25.169 -16.420 1.00 22.11 H new ATOM 0 HA3 GLY A 10 10.630 23.894 -17.414 1.00 22.11 H new ATOM 168 N GLY A 11 8.372 22.990 -18.315 1.00 64.41 N ATOM 169 CA GLY A 11 7.157 22.793 -19.083 1.00 34.24 C ATOM 170 C GLY A 11 6.918 21.336 -19.427 1.00 13.03 C ATOM 171 O GLY A 11 6.135 21.025 -20.324 1.00 31.42 O ATOM 0 H GLY A 11 9.092 22.283 -18.464 1.00 64.41 H new ATOM 0 HA2 GLY A 11 6.307 23.173 -18.516 1.00 34.24 H new ATOM 0 HA3 GLY A 11 7.214 23.376 -20.002 1.00 34.24 H new ATOM 175 N GLN A 12 7.595 20.442 -18.713 1.00 51.32 N ATOM 176 CA GLN A 12 7.453 19.011 -18.950 1.00 64.53 C ATOM 177 C GLN A 12 7.188 18.266 -17.646 1.00 11.32 C ATOM 178 O GLN A 12 7.788 18.569 -16.615 1.00 54.20 O ATOM 179 CB GLN A 12 8.712 18.456 -19.620 1.00 51.44 C ATOM 180 CG GLN A 12 8.872 18.891 -21.068 1.00 41.31 C ATOM 181 CD GLN A 12 8.090 18.018 -22.030 1.00 3.13 C ATOM 182 OE1 GLN A 12 7.520 16.999 -21.638 1.00 0.50 O ATOM 183 NE2 GLN A 12 8.059 18.413 -23.297 1.00 44.21 N ATOM 0 H GLN A 12 8.247 20.684 -17.966 1.00 51.32 H new ATOM 0 HA GLN A 12 6.600 18.862 -19.612 1.00 64.53 H new ATOM 0 HB2 GLN A 12 9.586 18.777 -19.054 1.00 51.44 H new ATOM 0 HB3 GLN A 12 8.687 17.367 -19.577 1.00 51.44 H new ATOM 0 HG2 GLN A 12 8.542 19.925 -21.171 1.00 41.31 H new ATOM 0 HG3 GLN A 12 9.928 18.865 -21.336 1.00 41.31 H new ATOM 0 HE21 GLN A 12 8.546 19.264 -23.578 1.00 44.21 H new ATOM 0 HE22 GLN A 12 7.548 17.865 -23.990 1.00 44.21 H new ATOM 192 N GLU A 13 6.285 17.292 -17.699 1.00 61.13 N ATOM 193 CA GLU A 13 5.940 16.506 -16.521 1.00 30.24 C ATOM 194 C GLU A 13 6.601 15.131 -16.571 1.00 1.33 C ATOM 195 O GLU A 13 6.705 14.519 -17.634 1.00 4.02 O ATOM 196 CB GLU A 13 4.422 16.350 -16.411 1.00 32.12 C ATOM 197 CG GLU A 13 3.686 17.667 -16.231 1.00 2.22 C ATOM 198 CD GLU A 13 2.192 17.535 -16.450 1.00 54.54 C ATOM 199 OE1 GLU A 13 1.579 16.639 -15.834 1.00 72.51 O ATOM 200 OE2 GLU A 13 1.635 18.328 -17.238 1.00 51.42 O ATOM 0 H GLU A 13 5.780 17.029 -18.545 1.00 61.13 H new ATOM 0 HA GLU A 13 6.308 17.036 -15.642 1.00 30.24 H new ATOM 0 HB2 GLU A 13 4.050 15.855 -17.308 1.00 32.12 H new ATOM 0 HB3 GLU A 13 4.192 15.697 -15.569 1.00 32.12 H new ATOM 0 HG2 GLU A 13 3.870 18.047 -15.226 1.00 2.22 H new ATOM 0 HG3 GLU A 13 4.088 18.402 -16.928 1.00 2.22 H new ATOM 207 N TYR A 14 7.046 14.653 -15.414 1.00 42.21 N ATOM 208 CA TYR A 14 7.700 13.353 -15.325 1.00 40.05 C ATOM 209 C TYR A 14 7.193 12.569 -14.119 1.00 11.33 C ATOM 210 O TYR A 14 7.378 12.982 -12.974 1.00 10.11 O ATOM 211 CB TYR A 14 9.217 13.527 -15.234 1.00 30.30 C ATOM 212 CG TYR A 14 9.828 14.170 -16.458 1.00 53.14 C ATOM 213 CD1 TYR A 14 9.788 15.548 -16.636 1.00 24.31 C ATOM 214 CD2 TYR A 14 10.443 13.401 -17.438 1.00 61.20 C ATOM 215 CE1 TYR A 14 10.344 16.140 -17.753 1.00 44.12 C ATOM 216 CE2 TYR A 14 11.003 13.985 -18.558 1.00 21.33 C ATOM 217 CZ TYR A 14 10.951 15.354 -18.711 1.00 0.50 C ATOM 218 OH TYR A 14 11.506 15.940 -19.826 1.00 24.33 O ATOM 0 H TYR A 14 6.966 15.146 -14.525 1.00 42.21 H new ATOM 0 HA TYR A 14 7.459 12.791 -16.227 1.00 40.05 H new ATOM 0 HB2 TYR A 14 9.453 14.134 -14.360 1.00 30.30 H new ATOM 0 HB3 TYR A 14 9.677 12.551 -15.079 1.00 30.30 H new ATOM 0 HD1 TYR A 14 9.314 16.166 -15.888 1.00 24.31 H new ATOM 0 HD2 TYR A 14 10.484 12.328 -17.322 1.00 61.20 H new ATOM 0 HE1 TYR A 14 10.304 17.212 -17.876 1.00 44.12 H new ATOM 0 HE2 TYR A 14 11.479 13.372 -19.309 1.00 21.33 H new ATOM 0 HH TYR A 14 11.894 15.247 -20.401 1.00 24.33 H new ATOM 228 N SER A 15 6.552 11.435 -14.384 1.00 44.35 N ATOM 229 CA SER A 15 6.015 10.594 -13.322 1.00 30.13 C ATOM 230 C SER A 15 7.101 9.696 -12.738 1.00 25.11 C ATOM 231 O SER A 15 7.838 9.036 -13.471 1.00 43.31 O ATOM 232 CB SER A 15 4.862 9.740 -13.852 1.00 61.44 C ATOM 233 OG SER A 15 5.184 9.173 -15.111 1.00 3.32 O ATOM 0 H SER A 15 6.392 11.078 -15.326 1.00 44.35 H new ATOM 0 HA SER A 15 5.642 11.245 -12.531 1.00 30.13 H new ATOM 0 HB2 SER A 15 4.635 8.947 -13.140 1.00 61.44 H new ATOM 0 HB3 SER A 15 3.965 10.352 -13.944 1.00 61.44 H new ATOM 0 HG SER A 15 6.122 8.890 -15.112 1.00 3.32 H new ATOM 239 N VAL A 16 7.195 9.676 -11.412 1.00 51.00 N ATOM 240 CA VAL A 16 8.190 8.859 -10.728 1.00 31.01 C ATOM 241 C VAL A 16 7.625 7.489 -10.371 1.00 72.33 C ATOM 242 O VAL A 16 6.478 7.370 -9.939 1.00 54.52 O ATOM 243 CB VAL A 16 8.692 9.545 -9.444 1.00 25.14 C ATOM 244 CG1 VAL A 16 9.635 8.626 -8.681 1.00 43.34 C ATOM 245 CG2 VAL A 16 9.373 10.864 -9.776 1.00 41.10 C ATOM 0 H VAL A 16 6.594 10.217 -10.790 1.00 51.00 H new ATOM 0 HA VAL A 16 9.026 8.736 -11.416 1.00 31.01 H new ATOM 0 HB VAL A 16 7.834 9.756 -8.806 1.00 25.14 H new ATOM 0 HG11 VAL A 16 9.980 9.128 -7.777 1.00 43.34 H new ATOM 0 HG12 VAL A 16 9.110 7.710 -8.410 1.00 43.34 H new ATOM 0 HG13 VAL A 16 10.492 8.381 -9.309 1.00 43.34 H new ATOM 0 HG21 VAL A 16 9.721 11.335 -8.857 1.00 41.10 H new ATOM 0 HG22 VAL A 16 10.222 10.680 -10.434 1.00 41.10 H new ATOM 0 HG23 VAL A 16 8.664 11.524 -10.276 1.00 41.10 H new ATOM 255 N THR A 17 8.438 6.453 -10.555 1.00 1.14 N ATOM 256 CA THR A 17 8.020 5.090 -10.253 1.00 72.01 C ATOM 257 C THR A 17 9.202 4.239 -9.803 1.00 72.14 C ATOM 258 O THR A 17 9.900 3.643 -10.624 1.00 74.45 O ATOM 259 CB THR A 17 7.356 4.423 -11.473 1.00 3.21 C ATOM 260 OG1 THR A 17 8.007 4.846 -12.676 1.00 53.15 O ATOM 261 CG2 THR A 17 5.877 4.770 -11.541 1.00 52.21 C ATOM 0 H THR A 17 9.390 6.533 -10.912 1.00 1.14 H new ATOM 0 HA THR A 17 7.293 5.154 -9.443 1.00 72.01 H new ATOM 0 HB THR A 17 7.454 3.343 -11.368 1.00 3.21 H new ATOM 0 HG1 THR A 17 7.581 4.417 -13.447 1.00 53.15 H new ATOM 0 HG21 THR A 17 5.430 4.288 -12.410 1.00 52.21 H new ATOM 0 HG22 THR A 17 5.379 4.421 -10.636 1.00 52.21 H new ATOM 0 HG23 THR A 17 5.760 5.850 -11.625 1.00 52.21 H new ATOM 269 N THR A 18 9.422 4.185 -8.493 1.00 42.24 N ATOM 270 CA THR A 18 10.520 3.407 -7.934 1.00 44.13 C ATOM 271 C THR A 18 10.648 3.636 -6.433 1.00 35.24 C ATOM 272 O THR A 18 11.102 2.759 -5.697 1.00 21.41 O ATOM 273 CB THR A 18 11.859 3.758 -8.611 1.00 10.13 C ATOM 274 OG1 THR A 18 12.949 3.261 -7.827 1.00 2.45 O ATOM 275 CG2 THR A 18 11.998 5.263 -8.786 1.00 63.25 C ATOM 0 H THR A 18 8.854 4.671 -7.799 1.00 42.24 H new ATOM 0 HA THR A 18 10.291 2.358 -8.120 1.00 44.13 H new ATOM 0 HB THR A 18 11.877 3.290 -9.595 1.00 10.13 H new ATOM 0 HG1 THR A 18 13.796 3.487 -8.265 1.00 2.45 H new ATOM 0 HG21 THR A 18 12.951 5.487 -9.266 1.00 63.25 H new ATOM 0 HG22 THR A 18 11.183 5.634 -9.407 1.00 63.25 H new ATOM 0 HG23 THR A 18 11.960 5.748 -7.810 1.00 63.25 H new ATOM 283 N LEU A 19 10.243 4.818 -5.983 1.00 1.43 N ATOM 284 CA LEU A 19 10.311 5.162 -4.567 1.00 0.53 C ATOM 285 C LEU A 19 9.069 4.676 -3.828 1.00 35.22 C ATOM 286 O LEU A 19 7.989 4.572 -4.410 1.00 12.22 O ATOM 287 CB LEU A 19 10.460 6.675 -4.396 1.00 2.23 C ATOM 288 CG LEU A 19 11.858 7.175 -4.030 1.00 65.24 C ATOM 289 CD1 LEU A 19 12.222 6.756 -2.614 1.00 52.32 C ATOM 290 CD2 LEU A 19 12.887 6.653 -5.023 1.00 43.41 C ATOM 0 H LEU A 19 9.864 5.555 -6.578 1.00 1.43 H new ATOM 0 HA LEU A 19 11.183 4.666 -4.140 1.00 0.53 H new ATOM 0 HB2 LEU A 19 10.155 7.157 -5.325 1.00 2.23 H new ATOM 0 HB3 LEU A 19 9.765 7.003 -3.623 1.00 2.23 H new ATOM 0 HG LEU A 19 11.857 8.264 -4.075 1.00 65.24 H new ATOM 0 HD11 LEU A 19 13.220 7.121 -2.372 1.00 52.32 H new ATOM 0 HD12 LEU A 19 11.501 7.178 -1.913 1.00 52.32 H new ATOM 0 HD13 LEU A 19 12.206 5.669 -2.541 1.00 52.32 H new ATOM 0 HD21 LEU A 19 13.876 7.018 -4.748 1.00 43.41 H new ATOM 0 HD22 LEU A 19 12.886 5.563 -5.009 1.00 43.41 H new ATOM 0 HD23 LEU A 19 12.637 7.003 -6.024 1.00 43.41 H new ATOM 302 N SER A 20 9.229 4.380 -2.542 1.00 13.42 N ATOM 303 CA SER A 20 8.120 3.903 -1.723 1.00 43.32 C ATOM 304 C SER A 20 8.038 4.681 -0.413 1.00 42.13 C ATOM 305 O SER A 20 8.953 5.427 -0.064 1.00 74.40 O ATOM 306 CB SER A 20 8.279 2.409 -1.433 1.00 52.44 C ATOM 307 OG SER A 20 9.582 1.961 -1.763 1.00 41.40 O ATOM 0 H SER A 20 10.116 4.462 -2.045 1.00 13.42 H new ATOM 0 HA SER A 20 7.196 4.062 -2.278 1.00 43.32 H new ATOM 0 HB2 SER A 20 8.081 2.217 -0.378 1.00 52.44 H new ATOM 0 HB3 SER A 20 7.542 1.844 -2.003 1.00 52.44 H new ATOM 0 HG SER A 20 10.245 2.517 -1.303 1.00 41.40 H new ATOM 313 N GLU A 21 6.935 4.501 0.307 1.00 62.33 N ATOM 314 CA GLU A 21 6.733 5.186 1.578 1.00 51.23 C ATOM 315 C GLU A 21 7.822 4.810 2.578 1.00 2.30 C ATOM 316 O GLU A 21 8.083 5.543 3.532 1.00 20.14 O ATOM 317 CB GLU A 21 5.357 4.845 2.153 1.00 32.12 C ATOM 318 CG GLU A 21 4.232 4.933 1.135 1.00 3.00 C ATOM 319 CD GLU A 21 2.859 4.873 1.776 1.00 43.43 C ATOM 320 OE1 GLU A 21 2.789 4.797 3.020 1.00 31.23 O ATOM 321 OE2 GLU A 21 1.856 4.903 1.033 1.00 33.03 O ATOM 0 H GLU A 21 6.168 3.887 0.032 1.00 62.33 H new ATOM 0 HA GLU A 21 6.787 6.259 1.396 1.00 51.23 H new ATOM 0 HB2 GLU A 21 5.385 3.836 2.565 1.00 32.12 H new ATOM 0 HB3 GLU A 21 5.141 5.521 2.980 1.00 32.12 H new ATOM 0 HG2 GLU A 21 4.327 5.863 0.574 1.00 3.00 H new ATOM 0 HG3 GLU A 21 4.330 4.117 0.419 1.00 3.00 H new ATOM 328 N ASP A 22 8.454 3.664 2.352 1.00 31.35 N ATOM 329 CA ASP A 22 9.515 3.189 3.233 1.00 44.52 C ATOM 330 C ASP A 22 10.760 4.062 3.102 1.00 21.30 C ATOM 331 O ASP A 22 11.691 3.957 3.901 1.00 35.34 O ATOM 332 CB ASP A 22 9.861 1.734 2.912 1.00 0.43 C ATOM 333 CG ASP A 22 10.208 0.935 4.153 1.00 45.22 C ATOM 334 OD1 ASP A 22 9.289 0.636 4.943 1.00 73.40 O ATOM 335 OD2 ASP A 22 11.400 0.608 4.333 1.00 10.41 O ATOM 0 H ASP A 22 8.250 3.046 1.566 1.00 31.35 H new ATOM 0 HA ASP A 22 9.156 3.250 4.260 1.00 44.52 H new ATOM 0 HB2 ASP A 22 9.017 1.266 2.406 1.00 0.43 H new ATOM 0 HB3 ASP A 22 10.702 1.708 2.219 1.00 0.43 H new ATOM 340 N ASP A 23 10.770 4.921 2.089 1.00 61.10 N ATOM 341 CA ASP A 23 11.901 5.812 1.853 1.00 35.41 C ATOM 342 C ASP A 23 11.612 7.210 2.391 1.00 22.30 C ATOM 343 O ASP A 23 10.857 7.375 3.350 1.00 24.10 O ATOM 344 CB ASP A 23 12.218 5.882 0.359 1.00 44.23 C ATOM 345 CG ASP A 23 12.190 4.519 -0.304 1.00 54.14 C ATOM 346 OD1 ASP A 23 11.082 3.971 -0.485 1.00 24.14 O ATOM 347 OD2 ASP A 23 13.274 4.000 -0.642 1.00 43.23 O ATOM 0 H ASP A 23 10.008 5.020 1.418 1.00 61.10 H new ATOM 0 HA ASP A 23 12.766 5.411 2.381 1.00 35.41 H new ATOM 0 HB2 ASP A 23 11.498 6.536 -0.132 1.00 44.23 H new ATOM 0 HB3 ASP A 23 13.202 6.330 0.220 1.00 44.23 H new ATOM 352 N THR A 24 12.219 8.215 1.768 1.00 43.01 N ATOM 353 CA THR A 24 12.030 9.599 2.185 1.00 61.41 C ATOM 354 C THR A 24 11.740 10.498 0.989 1.00 0.52 C ATOM 355 O THR A 24 11.888 10.086 -0.161 1.00 45.33 O ATOM 356 CB THR A 24 13.267 10.135 2.929 1.00 44.42 C ATOM 357 OG1 THR A 24 14.400 9.300 2.663 1.00 53.24 O ATOM 358 CG2 THR A 24 13.015 10.193 4.428 1.00 52.32 C ATOM 0 H THR A 24 12.846 8.096 0.972 1.00 43.01 H new ATOM 0 HA THR A 24 11.175 9.612 2.861 1.00 61.41 H new ATOM 0 HB THR A 24 13.468 11.145 2.571 1.00 44.42 H new ATOM 0 HG1 THR A 24 15.183 9.649 3.139 1.00 53.24 H new ATOM 0 HG21 THR A 24 13.903 10.575 4.932 1.00 52.32 H new ATOM 0 HG22 THR A 24 12.171 10.853 4.630 1.00 52.32 H new ATOM 0 HG23 THR A 24 12.790 9.193 4.798 1.00 52.32 H new ATOM 366 N VAL A 25 11.326 11.730 1.268 1.00 1.51 N ATOM 367 CA VAL A 25 11.017 12.690 0.215 1.00 71.02 C ATOM 368 C VAL A 25 12.267 13.061 -0.575 1.00 2.55 C ATOM 369 O VAL A 25 12.230 13.177 -1.800 1.00 74.53 O ATOM 370 CB VAL A 25 10.387 13.972 0.791 1.00 52.13 C ATOM 371 CG1 VAL A 25 9.817 14.835 -0.325 1.00 4.10 C ATOM 372 CG2 VAL A 25 9.312 13.626 1.810 1.00 73.44 C ATOM 0 H VAL A 25 11.197 12.087 2.215 1.00 1.51 H new ATOM 0 HA VAL A 25 10.300 12.209 -0.451 1.00 71.02 H new ATOM 0 HB VAL A 25 11.165 14.542 1.298 1.00 52.13 H new ATOM 0 HG11 VAL A 25 9.376 15.736 0.101 1.00 4.10 H new ATOM 0 HG12 VAL A 25 10.615 15.112 -1.014 1.00 4.10 H new ATOM 0 HG13 VAL A 25 9.051 14.276 -0.862 1.00 4.10 H new ATOM 0 HG21 VAL A 25 8.878 14.544 2.207 1.00 73.44 H new ATOM 0 HG22 VAL A 25 8.533 13.034 1.330 1.00 73.44 H new ATOM 0 HG23 VAL A 25 9.754 13.052 2.625 1.00 73.44 H new ATOM 382 N LEU A 26 13.374 13.248 0.135 1.00 24.34 N ATOM 383 CA LEU A 26 14.639 13.606 -0.499 1.00 35.04 C ATOM 384 C LEU A 26 15.103 12.506 -1.448 1.00 34.01 C ATOM 385 O LEU A 26 15.793 12.772 -2.432 1.00 72.01 O ATOM 386 CB LEU A 26 15.709 13.864 0.563 1.00 10.31 C ATOM 387 CG LEU A 26 16.654 12.699 0.861 1.00 15.32 C ATOM 388 CD1 LEU A 26 17.850 12.728 -0.077 1.00 52.54 C ATOM 389 CD2 LEU A 26 17.111 12.741 2.312 1.00 15.11 C ATOM 0 H LEU A 26 13.422 13.158 1.150 1.00 24.34 H new ATOM 0 HA LEU A 26 14.482 14.517 -1.077 1.00 35.04 H new ATOM 0 HB2 LEU A 26 16.307 14.719 0.247 1.00 10.31 H new ATOM 0 HB3 LEU A 26 15.211 14.148 1.490 1.00 10.31 H new ATOM 0 HG LEU A 26 16.113 11.767 0.698 1.00 15.32 H new ATOM 0 HD11 LEU A 26 18.511 11.892 0.150 1.00 52.54 H new ATOM 0 HD12 LEU A 26 17.506 12.649 -1.108 1.00 52.54 H new ATOM 0 HD13 LEU A 26 18.392 13.665 0.053 1.00 52.54 H new ATOM 0 HD21 LEU A 26 17.783 11.905 2.506 1.00 15.11 H new ATOM 0 HD22 LEU A 26 17.634 13.678 2.502 1.00 15.11 H new ATOM 0 HD23 LEU A 26 16.244 12.670 2.969 1.00 15.11 H new ATOM 401 N ASP A 27 14.717 11.271 -1.147 1.00 64.20 N ATOM 402 CA ASP A 27 15.091 10.130 -1.975 1.00 41.23 C ATOM 403 C ASP A 27 14.351 10.161 -3.309 1.00 12.22 C ATOM 404 O ASP A 27 14.893 9.764 -4.341 1.00 54.33 O ATOM 405 CB ASP A 27 14.793 8.821 -1.243 1.00 11.13 C ATOM 406 CG ASP A 27 15.678 7.682 -1.709 1.00 3.23 C ATOM 407 OD1 ASP A 27 16.575 7.930 -2.542 1.00 4.14 O ATOM 408 OD2 ASP A 27 15.475 6.543 -1.240 1.00 33.02 O ATOM 0 H ASP A 27 14.145 11.034 -0.336 1.00 64.20 H new ATOM 0 HA ASP A 27 16.161 10.191 -2.172 1.00 41.23 H new ATOM 0 HB2 ASP A 27 14.929 8.968 -0.172 1.00 11.13 H new ATOM 0 HB3 ASP A 27 13.748 8.552 -1.397 1.00 11.13 H new ATOM 413 N LEU A 28 13.110 10.634 -3.280 1.00 13.14 N ATOM 414 CA LEU A 28 12.294 10.716 -4.486 1.00 53.20 C ATOM 415 C LEU A 28 12.650 11.955 -5.301 1.00 51.21 C ATOM 416 O LEU A 28 12.851 11.878 -6.513 1.00 73.14 O ATOM 417 CB LEU A 28 10.809 10.742 -4.120 1.00 54.11 C ATOM 418 CG LEU A 28 9.839 10.310 -5.220 1.00 74.13 C ATOM 419 CD1 LEU A 28 8.777 9.376 -4.660 1.00 1.34 C ATOM 420 CD2 LEU A 28 9.193 11.525 -5.870 1.00 43.30 C ATOM 0 H LEU A 28 12.647 10.967 -2.434 1.00 13.14 H new ATOM 0 HA LEU A 28 12.497 9.834 -5.093 1.00 53.20 H new ATOM 0 HB2 LEU A 28 10.657 10.096 -3.255 1.00 54.11 H new ATOM 0 HB3 LEU A 28 10.549 11.755 -3.811 1.00 54.11 H new ATOM 0 HG LEU A 28 10.402 9.771 -5.982 1.00 74.13 H new ATOM 0 HD11 LEU A 28 8.096 9.079 -5.458 1.00 1.34 H new ATOM 0 HD12 LEU A 28 9.255 8.490 -4.243 1.00 1.34 H new ATOM 0 HD13 LEU A 28 8.218 9.889 -3.877 1.00 1.34 H new ATOM 0 HD21 LEU A 28 8.506 11.198 -6.650 1.00 43.30 H new ATOM 0 HD22 LEU A 28 8.644 12.092 -5.118 1.00 43.30 H new ATOM 0 HD23 LEU A 28 9.965 12.157 -6.308 1.00 43.30 H new ATOM 432 N LYS A 29 12.729 13.098 -4.627 1.00 70.34 N ATOM 433 CA LYS A 29 13.065 14.354 -5.287 1.00 73.11 C ATOM 434 C LYS A 29 14.456 14.287 -5.909 1.00 73.13 C ATOM 435 O LYS A 29 14.619 14.504 -7.110 1.00 30.04 O ATOM 436 CB LYS A 29 12.996 15.512 -4.289 1.00 41.11 C ATOM 437 CG LYS A 29 11.670 16.252 -4.307 1.00 1.52 C ATOM 438 CD LYS A 29 10.701 15.685 -3.283 1.00 1.52 C ATOM 439 CE LYS A 29 9.799 14.626 -3.896 1.00 71.33 C ATOM 440 NZ LYS A 29 8.369 15.042 -3.888 1.00 21.02 N ATOM 0 H LYS A 29 12.565 13.180 -3.624 1.00 70.34 H new ATOM 0 HA LYS A 29 12.339 14.524 -6.082 1.00 73.11 H new ATOM 0 HB2 LYS A 29 13.174 15.126 -3.285 1.00 41.11 H new ATOM 0 HB3 LYS A 29 13.799 16.217 -4.507 1.00 41.11 H new ATOM 0 HG2 LYS A 29 11.839 17.309 -4.102 1.00 1.52 H new ATOM 0 HG3 LYS A 29 11.229 16.186 -5.302 1.00 1.52 H new ATOM 0 HD2 LYS A 29 11.259 15.253 -2.453 1.00 1.52 H new ATOM 0 HD3 LYS A 29 10.092 16.490 -2.872 1.00 1.52 H new ATOM 0 HE2 LYS A 29 10.114 14.430 -4.921 1.00 71.33 H new ATOM 0 HE3 LYS A 29 9.909 13.692 -3.344 1.00 71.33 H new ATOM 0 HZ1 LYS A 29 7.855 14.534 -4.636 1.00 21.02 H new ATOM 0 HZ2 LYS A 29 7.947 14.817 -2.964 1.00 21.02 H new ATOM 0 HZ3 LYS A 29 8.304 16.066 -4.058 1.00 21.02 H new ATOM 454 N GLN A 30 15.454 13.984 -5.085 1.00 73.14 N ATOM 455 CA GLN A 30 16.830 13.888 -5.557 1.00 22.34 C ATOM 456 C GLN A 30 16.955 12.847 -6.665 1.00 11.13 C ATOM 457 O GLN A 30 17.889 12.887 -7.466 1.00 54.51 O ATOM 458 CB GLN A 30 17.764 13.531 -4.399 1.00 1.43 C ATOM 459 CG GLN A 30 17.904 12.035 -4.168 1.00 42.33 C ATOM 460 CD GLN A 30 19.088 11.440 -4.905 1.00 31.34 C ATOM 461 OE1 GLN A 30 18.924 10.600 -5.790 1.00 62.12 O ATOM 462 NE2 GLN A 30 20.290 11.872 -4.542 1.00 12.32 N ATOM 0 H GLN A 30 15.336 13.801 -4.089 1.00 73.14 H new ATOM 0 HA GLN A 30 17.117 14.859 -5.962 1.00 22.34 H new ATOM 0 HB2 GLN A 30 18.749 13.954 -4.595 1.00 1.43 H new ATOM 0 HB3 GLN A 30 17.393 13.998 -3.487 1.00 1.43 H new ATOM 0 HG2 GLN A 30 18.012 11.844 -3.100 1.00 42.33 H new ATOM 0 HG3 GLN A 30 16.991 11.534 -4.490 1.00 42.33 H new ATOM 0 HE21 GLN A 30 20.380 12.570 -3.803 1.00 12.32 H new ATOM 0 HE22 GLN A 30 21.124 11.506 -5.002 1.00 12.32 H new ATOM 471 N PHE A 31 16.008 11.915 -6.704 1.00 1.51 N ATOM 472 CA PHE A 31 16.013 10.863 -7.713 1.00 74.21 C ATOM 473 C PHE A 31 15.520 11.395 -9.056 1.00 30.42 C ATOM 474 O PHE A 31 16.206 11.278 -10.072 1.00 72.23 O ATOM 475 CB PHE A 31 15.137 9.692 -7.263 1.00 73.21 C ATOM 476 CG PHE A 31 14.897 8.674 -8.341 1.00 73.21 C ATOM 477 CD1 PHE A 31 15.796 7.640 -8.549 1.00 41.50 C ATOM 478 CD2 PHE A 31 13.772 8.750 -9.146 1.00 74.11 C ATOM 479 CE1 PHE A 31 15.578 6.703 -9.541 1.00 11.01 C ATOM 480 CE2 PHE A 31 13.548 7.815 -10.139 1.00 71.03 C ATOM 481 CZ PHE A 31 14.452 6.790 -10.336 1.00 72.41 C ATOM 0 H PHE A 31 15.228 11.867 -6.049 1.00 1.51 H new ATOM 0 HA PHE A 31 17.039 10.515 -7.834 1.00 74.21 H new ATOM 0 HB2 PHE A 31 15.608 9.203 -6.411 1.00 73.21 H new ATOM 0 HB3 PHE A 31 14.178 10.078 -6.919 1.00 73.21 H new ATOM 0 HD1 PHE A 31 16.677 7.566 -7.929 1.00 41.50 H new ATOM 0 HD2 PHE A 31 13.062 9.549 -8.996 1.00 74.11 H new ATOM 0 HE1 PHE A 31 16.288 5.903 -9.694 1.00 11.01 H new ATOM 0 HE2 PHE A 31 12.667 7.886 -10.760 1.00 71.03 H new ATOM 0 HZ PHE A 31 14.279 6.058 -11.111 1.00 72.41 H new ATOM 491 N LEU A 32 14.327 11.978 -9.052 1.00 53.31 N ATOM 492 CA LEU A 32 13.740 12.528 -10.269 1.00 42.24 C ATOM 493 C LEU A 32 14.530 13.740 -10.755 1.00 34.30 C ATOM 494 O LEU A 32 14.798 13.882 -11.948 1.00 42.10 O ATOM 495 CB LEU A 32 12.282 12.920 -10.025 1.00 0.15 C ATOM 496 CG LEU A 32 12.017 13.785 -8.791 1.00 64.25 C ATOM 497 CD1 LEU A 32 12.015 15.259 -9.164 1.00 3.30 C ATOM 498 CD2 LEU A 32 10.698 13.395 -8.140 1.00 43.52 C ATOM 0 H LEU A 32 13.747 12.082 -8.220 1.00 53.31 H new ATOM 0 HA LEU A 32 13.778 11.759 -11.040 1.00 42.24 H new ATOM 0 HB2 LEU A 32 11.918 13.454 -10.903 1.00 0.15 H new ATOM 0 HB3 LEU A 32 11.691 12.008 -9.939 1.00 0.15 H new ATOM 0 HG LEU A 32 12.818 13.615 -8.072 1.00 64.25 H new ATOM 0 HD11 LEU A 32 11.825 15.859 -8.274 1.00 3.30 H new ATOM 0 HD12 LEU A 32 12.984 15.529 -9.584 1.00 3.30 H new ATOM 0 HD13 LEU A 32 11.235 15.447 -9.902 1.00 3.30 H new ATOM 0 HD21 LEU A 32 10.526 14.020 -7.264 1.00 43.52 H new ATOM 0 HD22 LEU A 32 9.885 13.536 -8.852 1.00 43.52 H new ATOM 0 HD23 LEU A 32 10.737 12.349 -7.837 1.00 43.52 H new ATOM 510 N LYS A 33 14.901 14.610 -9.822 1.00 51.01 N ATOM 511 CA LYS A 33 15.663 15.808 -10.153 1.00 10.31 C ATOM 512 C LYS A 33 16.936 15.451 -10.914 1.00 33.21 C ATOM 513 O LYS A 33 17.451 16.252 -11.695 1.00 33.30 O ATOM 514 CB LYS A 33 16.017 16.580 -8.880 1.00 1.13 C ATOM 515 CG LYS A 33 17.486 16.956 -8.785 1.00 33.21 C ATOM 516 CD LYS A 33 18.324 15.801 -8.264 1.00 23.14 C ATOM 517 CE LYS A 33 19.694 15.764 -8.924 1.00 71.11 C ATOM 518 NZ LYS A 33 20.757 16.297 -8.028 1.00 14.24 N ATOM 0 H LYS A 33 14.686 14.508 -8.830 1.00 51.01 H new ATOM 0 HA LYS A 33 15.043 16.437 -10.792 1.00 10.31 H new ATOM 0 HB2 LYS A 33 15.415 17.487 -8.836 1.00 1.13 H new ATOM 0 HB3 LYS A 33 15.748 15.977 -8.013 1.00 1.13 H new ATOM 0 HG2 LYS A 33 17.850 17.257 -9.767 1.00 33.21 H new ATOM 0 HG3 LYS A 33 17.600 17.816 -8.126 1.00 33.21 H new ATOM 0 HD2 LYS A 33 18.442 15.893 -7.184 1.00 23.14 H new ATOM 0 HD3 LYS A 33 17.804 14.861 -8.449 1.00 23.14 H new ATOM 0 HE2 LYS A 33 19.935 14.738 -9.203 1.00 71.11 H new ATOM 0 HE3 LYS A 33 19.669 16.347 -9.845 1.00 71.11 H new ATOM 0 HZ1 LYS A 33 21.564 16.619 -8.600 1.00 14.24 H new ATOM 0 HZ2 LYS A 33 20.380 17.096 -7.479 1.00 14.24 H new ATOM 0 HZ3 LYS A 33 21.071 15.548 -7.378 1.00 14.24 H new ATOM 532 N THR A 34 17.439 14.242 -10.682 1.00 53.13 N ATOM 533 CA THR A 34 18.651 13.779 -11.346 1.00 34.40 C ATOM 534 C THR A 34 18.354 13.303 -12.763 1.00 74.34 C ATOM 535 O THR A 34 19.237 13.287 -13.622 1.00 13.20 O ATOM 536 CB THR A 34 19.318 12.633 -10.561 1.00 52.33 C ATOM 537 OG1 THR A 34 20.734 12.836 -10.508 1.00 3.20 O ATOM 538 CG2 THR A 34 19.017 11.289 -11.206 1.00 31.42 C ATOM 0 H THR A 34 17.026 13.566 -10.039 1.00 53.13 H new ATOM 0 HA THR A 34 19.333 14.628 -11.387 1.00 34.40 H new ATOM 0 HB THR A 34 18.913 12.631 -9.549 1.00 52.33 H new ATOM 0 HG1 THR A 34 21.151 12.105 -10.006 1.00 3.20 H new ATOM 0 HG21 THR A 34 19.498 10.495 -10.635 1.00 31.42 H new ATOM 0 HG22 THR A 34 17.940 11.125 -11.219 1.00 31.42 H new ATOM 0 HG23 THR A 34 19.397 11.282 -12.227 1.00 31.42 H new ATOM 546 N LEU A 35 17.106 12.916 -13.003 1.00 74.40 N ATOM 547 CA LEU A 35 16.691 12.439 -14.318 1.00 45.53 C ATOM 548 C LEU A 35 16.515 13.604 -15.288 1.00 34.50 C ATOM 549 O LEU A 35 17.179 13.671 -16.323 1.00 33.30 O ATOM 550 CB LEU A 35 15.386 11.649 -14.209 1.00 3.33 C ATOM 551 CG LEU A 35 15.273 10.703 -13.013 1.00 11.01 C ATOM 552 CD1 LEU A 35 13.911 10.027 -12.995 1.00 20.53 C ATOM 553 CD2 LEU A 35 16.386 9.665 -13.047 1.00 15.44 C ATOM 0 H LEU A 35 16.363 12.923 -12.304 1.00 74.40 H new ATOM 0 HA LEU A 35 17.472 11.784 -14.703 1.00 45.53 H new ATOM 0 HB2 LEU A 35 14.558 12.357 -14.166 1.00 3.33 H new ATOM 0 HB3 LEU A 35 15.260 11.066 -15.121 1.00 3.33 H new ATOM 0 HG LEU A 35 15.377 11.288 -12.099 1.00 11.01 H new ATOM 0 HD11 LEU A 35 13.848 9.357 -12.137 1.00 20.53 H new ATOM 0 HD12 LEU A 35 13.130 10.784 -12.922 1.00 20.53 H new ATOM 0 HD13 LEU A 35 13.777 9.454 -13.913 1.00 20.53 H new ATOM 0 HD21 LEU A 35 16.290 9.000 -12.188 1.00 15.44 H new ATOM 0 HD22 LEU A 35 16.313 9.084 -13.966 1.00 15.44 H new ATOM 0 HD23 LEU A 35 17.353 10.167 -13.011 1.00 15.44 H new ATOM 565 N THR A 36 15.616 14.521 -14.945 1.00 53.24 N ATOM 566 CA THR A 36 15.352 15.683 -15.784 1.00 40.43 C ATOM 567 C THR A 36 15.270 16.957 -14.950 1.00 64.40 C ATOM 568 O THR A 36 15.565 18.048 -15.435 1.00 54.21 O ATOM 569 CB THR A 36 14.042 15.518 -16.578 1.00 0.15 C ATOM 570 OG1 THR A 36 13.732 16.733 -17.269 1.00 74.23 O ATOM 571 CG2 THR A 36 12.893 15.147 -15.653 1.00 15.23 C ATOM 0 H THR A 36 15.058 14.481 -14.092 1.00 53.24 H new ATOM 0 HA THR A 36 16.184 15.762 -16.483 1.00 40.43 H new ATOM 0 HB THR A 36 14.179 14.714 -17.302 1.00 0.15 H new ATOM 0 HG1 THR A 36 12.841 16.663 -17.670 1.00 74.23 H new ATOM 0 HG21 THR A 36 11.978 15.036 -16.235 1.00 15.23 H new ATOM 0 HG22 THR A 36 13.120 14.207 -15.150 1.00 15.23 H new ATOM 0 HG23 THR A 36 12.756 15.932 -14.909 1.00 15.23 H new ATOM 579 N GLY A 37 14.869 16.809 -13.691 1.00 2.11 N ATOM 580 CA GLY A 37 14.757 17.956 -12.809 1.00 52.10 C ATOM 581 C GLY A 37 16.093 18.624 -12.553 1.00 63.20 C ATOM 582 O GLY A 37 17.115 18.216 -13.105 1.00 23.21 O ATOM 0 H GLY A 37 14.620 15.916 -13.266 1.00 2.11 H new ATOM 0 HA2 GLY A 37 14.070 18.681 -13.246 1.00 52.10 H new ATOM 0 HA3 GLY A 37 14.325 17.639 -11.860 1.00 52.10 H new ATOM 586 N VAL A 38 16.087 19.655 -11.714 1.00 51.24 N ATOM 587 CA VAL A 38 17.308 20.382 -11.387 1.00 32.32 C ATOM 588 C VAL A 38 17.700 20.168 -9.929 1.00 40.11 C ATOM 589 O VAL A 38 16.847 20.159 -9.040 1.00 44.21 O ATOM 590 CB VAL A 38 17.150 21.891 -11.649 1.00 0.35 C ATOM 591 CG1 VAL A 38 15.776 22.369 -11.206 1.00 15.40 C ATOM 592 CG2 VAL A 38 18.248 22.672 -10.942 1.00 21.21 C ATOM 0 H VAL A 38 15.250 20.006 -11.248 1.00 51.24 H new ATOM 0 HA VAL A 38 18.093 19.990 -12.033 1.00 32.32 H new ATOM 0 HB VAL A 38 17.242 22.067 -12.721 1.00 0.35 H new ATOM 0 HG11 VAL A 38 15.683 23.438 -11.399 1.00 15.40 H new ATOM 0 HG12 VAL A 38 15.007 21.832 -11.761 1.00 15.40 H new ATOM 0 HG13 VAL A 38 15.652 22.181 -10.140 1.00 15.40 H new ATOM 0 HG21 VAL A 38 18.121 23.737 -11.138 1.00 21.21 H new ATOM 0 HG22 VAL A 38 18.190 22.491 -9.869 1.00 21.21 H new ATOM 0 HG23 VAL A 38 19.221 22.348 -11.312 1.00 21.21 H new ATOM 602 N LEU A 39 18.995 19.997 -9.690 1.00 24.40 N ATOM 603 CA LEU A 39 19.502 19.783 -8.339 1.00 3.42 C ATOM 604 C LEU A 39 19.047 20.900 -7.404 1.00 65.40 C ATOM 605 O LEU A 39 18.835 22.040 -7.816 1.00 74.15 O ATOM 606 CB LEU A 39 21.030 19.705 -8.352 1.00 71.24 C ATOM 607 CG LEU A 39 21.739 20.599 -9.370 1.00 11.31 C ATOM 608 CD1 LEU A 39 21.698 19.970 -10.754 1.00 22.12 C ATOM 609 CD2 LEU A 39 21.109 21.984 -9.393 1.00 54.22 C ATOM 0 H LEU A 39 19.713 20.002 -10.414 1.00 24.40 H new ATOM 0 HA LEU A 39 19.099 18.839 -7.972 1.00 3.42 H new ATOM 0 HB2 LEU A 39 21.395 19.961 -7.357 1.00 71.24 H new ATOM 0 HB3 LEU A 39 21.319 18.671 -8.542 1.00 71.24 H new ATOM 0 HG LEU A 39 22.782 20.701 -9.071 1.00 11.31 H new ATOM 0 HD11 LEU A 39 22.207 20.621 -11.465 1.00 22.12 H new ATOM 0 HD12 LEU A 39 22.196 19.001 -10.728 1.00 22.12 H new ATOM 0 HD13 LEU A 39 20.661 19.837 -11.063 1.00 22.12 H new ATOM 0 HD21 LEU A 39 21.626 22.607 -10.123 1.00 54.22 H new ATOM 0 HD22 LEU A 39 20.057 21.901 -9.667 1.00 54.22 H new ATOM 0 HD23 LEU A 39 21.192 22.438 -8.405 1.00 54.22 H new ATOM 621 N PRO A 40 18.896 20.566 -6.114 1.00 5.44 N ATOM 622 CA PRO A 40 18.468 21.527 -5.093 1.00 4.52 C ATOM 623 C PRO A 40 19.536 22.575 -4.799 1.00 5.22 C ATOM 624 O PRO A 40 19.235 23.658 -4.299 1.00 54.42 O ATOM 625 CB PRO A 40 18.225 20.652 -3.861 1.00 71.21 C ATOM 626 CG PRO A 40 19.094 19.459 -4.067 1.00 12.25 C ATOM 627 CD PRO A 40 19.133 19.226 -5.552 1.00 13.05 C ATOM 0 HA PRO A 40 17.593 22.094 -5.409 1.00 4.52 H new ATOM 0 HB2 PRO A 40 18.487 21.179 -2.943 1.00 71.21 H new ATOM 0 HB3 PRO A 40 17.176 20.368 -3.778 1.00 71.21 H new ATOM 0 HG2 PRO A 40 20.095 19.633 -3.673 1.00 12.25 H new ATOM 0 HG3 PRO A 40 18.693 18.590 -3.546 1.00 12.25 H new ATOM 0 HD2 PRO A 40 20.094 18.821 -5.870 1.00 13.05 H new ATOM 0 HD3 PRO A 40 18.368 18.517 -5.868 1.00 13.05 H new ATOM 635 N GLU A 41 20.785 22.245 -5.113 1.00 24.14 N ATOM 636 CA GLU A 41 21.898 23.159 -4.881 1.00 33.21 C ATOM 637 C GLU A 41 21.638 24.511 -5.540 1.00 34.53 C ATOM 638 O GLU A 41 21.961 25.558 -4.980 1.00 45.21 O ATOM 639 CB GLU A 41 23.199 22.560 -5.418 1.00 24.34 C ATOM 640 CG GLU A 41 24.382 23.511 -5.345 1.00 63.55 C ATOM 641 CD GLU A 41 25.710 22.807 -5.554 1.00 55.52 C ATOM 642 OE1 GLU A 41 26.090 22.594 -6.725 1.00 14.34 O ATOM 643 OE2 GLU A 41 26.368 22.470 -4.548 1.00 53.31 O ATOM 0 H GLU A 41 21.052 21.352 -5.528 1.00 24.14 H new ATOM 0 HA GLU A 41 21.993 23.310 -3.806 1.00 33.21 H new ATOM 0 HB2 GLU A 41 23.434 21.657 -4.854 1.00 24.34 H new ATOM 0 HB3 GLU A 41 23.050 22.258 -6.455 1.00 24.34 H new ATOM 0 HG2 GLU A 41 24.265 24.289 -6.099 1.00 63.55 H new ATOM 0 HG3 GLU A 41 24.386 24.006 -4.374 1.00 63.55 H new ATOM 650 N ARG A 42 21.051 24.478 -6.732 1.00 23.01 N ATOM 651 CA ARG A 42 20.749 25.699 -7.468 1.00 41.43 C ATOM 652 C ARG A 42 19.261 26.028 -7.389 1.00 2.34 C ATOM 653 O ARG A 42 18.880 27.189 -7.243 1.00 11.23 O ATOM 654 CB ARG A 42 21.173 25.556 -8.931 1.00 41.51 C ATOM 655 CG ARG A 42 22.622 25.940 -9.186 1.00 33.14 C ATOM 656 CD ARG A 42 23.345 24.876 -9.996 1.00 25.22 C ATOM 657 NE ARG A 42 24.474 25.428 -10.740 1.00 25.13 N ATOM 658 CZ ARG A 42 25.642 25.734 -10.184 1.00 34.00 C ATOM 659 NH1 ARG A 42 25.832 25.542 -8.886 1.00 42.20 N ATOM 660 NH2 ARG A 42 26.621 26.233 -10.927 1.00 62.52 N ATOM 0 H ARG A 42 20.775 23.619 -7.208 1.00 23.01 H new ATOM 0 HA ARG A 42 21.309 26.516 -7.012 1.00 41.43 H new ATOM 0 HB2 ARG A 42 21.019 24.524 -9.246 1.00 41.51 H new ATOM 0 HB3 ARG A 42 20.527 26.178 -9.550 1.00 41.51 H new ATOM 0 HG2 ARG A 42 22.660 26.891 -9.717 1.00 33.14 H new ATOM 0 HG3 ARG A 42 23.134 26.085 -8.235 1.00 33.14 H new ATOM 0 HD2 ARG A 42 23.700 24.091 -9.328 1.00 25.22 H new ATOM 0 HD3 ARG A 42 22.645 24.411 -10.691 1.00 25.22 H new ATOM 0 HE ARG A 42 24.360 25.587 -11.741 1.00 25.13 H new ATOM 0 HH11 ARG A 42 25.081 25.159 -8.312 1.00 42.20 H new ATOM 0 HH12 ARG A 42 26.729 25.778 -8.462 1.00 42.20 H new ATOM 0 HH21 ARG A 42 26.478 26.382 -11.926 1.00 62.52 H new ATOM 0 HH22 ARG A 42 27.517 26.468 -10.499 1.00 62.52 H new ATOM 674 N GLN A 43 18.427 24.998 -7.486 1.00 12.30 N ATOM 675 CA GLN A 43 16.981 25.179 -7.426 1.00 61.31 C ATOM 676 C GLN A 43 16.453 24.884 -6.026 1.00 61.51 C ATOM 677 O GLN A 43 17.099 24.190 -5.241 1.00 23.24 O ATOM 678 CB GLN A 43 16.290 24.272 -8.446 1.00 41.22 C ATOM 679 CG GLN A 43 15.968 22.887 -7.909 1.00 64.25 C ATOM 680 CD GLN A 43 14.638 22.836 -7.185 1.00 12.21 C ATOM 681 OE1 GLN A 43 13.812 23.740 -7.316 1.00 74.20 O ATOM 682 NE2 GLN A 43 14.423 21.776 -6.414 1.00 51.34 N ATOM 0 H GLN A 43 18.727 24.031 -7.606 1.00 12.30 H new ATOM 0 HA GLN A 43 16.760 26.219 -7.666 1.00 61.31 H new ATOM 0 HB2 GLN A 43 15.367 24.748 -8.776 1.00 41.22 H new ATOM 0 HB3 GLN A 43 16.929 24.173 -9.323 1.00 41.22 H new ATOM 0 HG2 GLN A 43 15.955 22.175 -8.735 1.00 64.25 H new ATOM 0 HG3 GLN A 43 16.760 22.572 -7.229 1.00 64.25 H new ATOM 0 HE21 GLN A 43 15.135 21.050 -6.335 1.00 51.34 H new ATOM 0 HE22 GLN A 43 13.546 21.688 -5.901 1.00 51.34 H new ATOM 691 N LYS A 44 15.275 25.415 -5.719 1.00 54.04 N ATOM 692 CA LYS A 44 14.658 25.209 -4.414 1.00 70.43 C ATOM 693 C LYS A 44 13.221 24.718 -4.563 1.00 25.42 C ATOM 694 O LYS A 44 12.489 25.167 -5.445 1.00 51.50 O ATOM 695 CB LYS A 44 14.683 26.507 -3.604 1.00 63.33 C ATOM 696 CG LYS A 44 13.939 27.652 -4.268 1.00 41.50 C ATOM 697 CD LYS A 44 12.465 27.649 -3.898 1.00 64.31 C ATOM 698 CE LYS A 44 11.984 29.039 -3.513 1.00 10.15 C ATOM 699 NZ LYS A 44 12.149 29.299 -2.055 1.00 73.25 N ATOM 0 H LYS A 44 14.727 25.992 -6.357 1.00 54.04 H new ATOM 0 HA LYS A 44 15.231 24.447 -3.885 1.00 70.43 H new ATOM 0 HB2 LYS A 44 14.246 26.322 -2.623 1.00 63.33 H new ATOM 0 HB3 LYS A 44 15.719 26.804 -3.441 1.00 63.33 H new ATOM 0 HG2 LYS A 44 14.388 28.600 -3.970 1.00 41.50 H new ATOM 0 HG3 LYS A 44 14.043 27.576 -5.350 1.00 41.50 H new ATOM 0 HD2 LYS A 44 11.878 27.280 -4.739 1.00 64.31 H new ATOM 0 HD3 LYS A 44 12.299 26.962 -3.068 1.00 64.31 H new ATOM 0 HE2 LYS A 44 12.540 29.786 -4.080 1.00 10.15 H new ATOM 0 HE3 LYS A 44 10.934 29.148 -3.785 1.00 10.15 H new ATOM 0 HZ1 LYS A 44 11.810 30.257 -1.833 1.00 73.25 H new ATOM 0 HZ2 LYS A 44 11.599 28.602 -1.514 1.00 73.25 H new ATOM 0 HZ3 LYS A 44 13.154 29.220 -1.800 1.00 73.25 H new ATOM 713 N LEU A 45 12.824 23.794 -3.695 1.00 1.25 N ATOM 714 CA LEU A 45 11.474 23.243 -3.728 1.00 53.11 C ATOM 715 C LEU A 45 10.442 24.307 -3.366 1.00 24.12 C ATOM 716 O LEU A 45 10.622 25.060 -2.408 1.00 11.30 O ATOM 717 CB LEU A 45 11.361 22.059 -2.767 1.00 20.34 C ATOM 718 CG LEU A 45 12.019 20.757 -3.225 1.00 74.24 C ATOM 719 CD1 LEU A 45 11.506 20.355 -4.600 1.00 10.32 C ATOM 720 CD2 LEU A 45 13.533 20.901 -3.240 1.00 64.24 C ATOM 0 H LEU A 45 13.418 23.411 -2.960 1.00 1.25 H new ATOM 0 HA LEU A 45 11.274 22.899 -4.743 1.00 53.11 H new ATOM 0 HB2 LEU A 45 11.801 22.348 -1.812 1.00 20.34 H new ATOM 0 HB3 LEU A 45 10.304 21.864 -2.585 1.00 20.34 H new ATOM 0 HG LEU A 45 11.756 19.971 -2.517 1.00 74.24 H new ATOM 0 HD11 LEU A 45 11.985 19.426 -4.910 1.00 10.32 H new ATOM 0 HD12 LEU A 45 10.427 20.210 -4.557 1.00 10.32 H new ATOM 0 HD13 LEU A 45 11.738 21.141 -5.319 1.00 10.32 H new ATOM 0 HD21 LEU A 45 13.984 19.965 -3.568 1.00 64.24 H new ATOM 0 HD22 LEU A 45 13.816 21.700 -3.925 1.00 64.24 H new ATOM 0 HD23 LEU A 45 13.886 21.142 -2.237 1.00 64.24 H new ATOM 732 N LEU A 46 9.361 24.362 -4.136 1.00 22.42 N ATOM 733 CA LEU A 46 8.299 25.332 -3.895 1.00 33.21 C ATOM 734 C LEU A 46 7.443 24.917 -2.702 1.00 52.04 C ATOM 735 O LEU A 46 7.560 25.481 -1.615 1.00 74.03 O ATOM 736 CB LEU A 46 7.422 25.478 -5.140 1.00 64.51 C ATOM 737 CG LEU A 46 7.993 26.342 -6.265 1.00 13.32 C ATOM 738 CD1 LEU A 46 8.314 27.738 -5.754 1.00 41.32 C ATOM 739 CD2 LEU A 46 9.233 25.692 -6.861 1.00 54.02 C ATOM 0 H LEU A 46 9.197 23.746 -4.932 1.00 22.42 H new ATOM 0 HA LEU A 46 8.762 26.293 -3.670 1.00 33.21 H new ATOM 0 HB2 LEU A 46 7.223 24.483 -5.538 1.00 64.51 H new ATOM 0 HB3 LEU A 46 6.463 25.898 -4.837 1.00 64.51 H new ATOM 0 HG LEU A 46 7.241 26.428 -7.049 1.00 13.32 H new ATOM 0 HD11 LEU A 46 8.719 28.339 -6.568 1.00 41.32 H new ATOM 0 HD12 LEU A 46 7.405 28.205 -5.376 1.00 41.32 H new ATOM 0 HD13 LEU A 46 9.048 27.672 -4.951 1.00 41.32 H new ATOM 0 HD21 LEU A 46 9.625 26.321 -7.660 1.00 54.02 H new ATOM 0 HD22 LEU A 46 9.991 25.575 -6.086 1.00 54.02 H new ATOM 0 HD23 LEU A 46 8.973 24.713 -7.264 1.00 54.02 H new ATOM 751 N GLY A 47 6.583 23.925 -2.914 1.00 12.11 N ATOM 752 CA GLY A 47 5.721 23.450 -1.847 1.00 43.11 C ATOM 753 C GLY A 47 6.290 22.236 -1.140 1.00 72.32 C ATOM 754 O GLY A 47 5.673 21.169 -1.129 1.00 44.21 O ATOM 0 H GLY A 47 6.468 23.442 -3.805 1.00 12.11 H new ATOM 0 HA2 GLY A 47 5.569 24.251 -1.123 1.00 43.11 H new ATOM 0 HA3 GLY A 47 4.742 23.202 -2.258 1.00 43.11 H new ATOM 758 N LEU A 48 7.469 22.395 -0.550 1.00 11.14 N ATOM 759 CA LEU A 48 8.122 21.302 0.162 1.00 23.00 C ATOM 760 C LEU A 48 7.213 20.740 1.250 1.00 72.00 C ATOM 761 O LEU A 48 7.356 19.588 1.661 1.00 41.23 O ATOM 762 CB LEU A 48 9.437 21.782 0.778 1.00 2.35 C ATOM 763 CG LEU A 48 9.340 22.993 1.707 1.00 44.52 C ATOM 764 CD1 LEU A 48 9.102 22.549 3.141 1.00 22.45 C ATOM 765 CD2 LEU A 48 10.601 23.841 1.612 1.00 72.35 C ATOM 0 H LEU A 48 7.993 23.270 -0.550 1.00 11.14 H new ATOM 0 HA LEU A 48 8.332 20.509 -0.555 1.00 23.00 H new ATOM 0 HB2 LEU A 48 9.877 20.955 1.336 1.00 2.35 H new ATOM 0 HB3 LEU A 48 10.127 22.024 -0.030 1.00 2.35 H new ATOM 0 HG LEU A 48 8.492 23.601 1.391 1.00 44.52 H new ATOM 0 HD11 LEU A 48 9.036 23.425 3.787 1.00 22.45 H new ATOM 0 HD12 LEU A 48 8.171 21.985 3.198 1.00 22.45 H new ATOM 0 HD13 LEU A 48 9.928 21.918 3.469 1.00 22.45 H new ATOM 0 HD21 LEU A 48 10.514 24.698 2.280 1.00 72.35 H new ATOM 0 HD22 LEU A 48 11.465 23.242 1.901 1.00 72.35 H new ATOM 0 HD23 LEU A 48 10.728 24.191 0.587 1.00 72.35 H new ATOM 777 N LYS A 49 6.275 21.560 1.712 1.00 50.11 N ATOM 778 CA LYS A 49 5.339 21.145 2.750 1.00 54.23 C ATOM 779 C LYS A 49 3.963 20.857 2.158 1.00 53.34 C ATOM 780 O LYS A 49 3.519 21.538 1.233 1.00 60.24 O ATOM 781 CB LYS A 49 5.226 22.227 3.826 1.00 1.30 C ATOM 782 CG LYS A 49 5.670 23.602 3.356 1.00 61.53 C ATOM 783 CD LYS A 49 5.448 24.656 4.427 1.00 54.33 C ATOM 784 CE LYS A 49 5.869 26.036 3.946 1.00 43.31 C ATOM 785 NZ LYS A 49 4.962 27.102 4.455 1.00 41.03 N ATOM 0 H LYS A 49 6.143 22.517 1.384 1.00 50.11 H new ATOM 0 HA LYS A 49 5.720 20.229 3.202 1.00 54.23 H new ATOM 0 HB2 LYS A 49 4.191 22.285 4.164 1.00 1.30 H new ATOM 0 HB3 LYS A 49 5.827 21.935 4.687 1.00 1.30 H new ATOM 0 HG2 LYS A 49 6.726 23.572 3.087 1.00 61.53 H new ATOM 0 HG3 LYS A 49 5.119 23.875 2.456 1.00 61.53 H new ATOM 0 HD2 LYS A 49 4.395 24.673 4.709 1.00 54.33 H new ATOM 0 HD3 LYS A 49 6.014 24.393 5.321 1.00 54.33 H new ATOM 0 HE2 LYS A 49 6.888 26.239 4.274 1.00 43.31 H new ATOM 0 HE3 LYS A 49 5.875 26.054 2.856 1.00 43.31 H new ATOM 0 HZ1 LYS A 49 5.283 28.027 4.105 1.00 41.03 H new ATOM 0 HZ2 LYS A 49 3.994 26.922 4.121 1.00 41.03 H new ATOM 0 HZ3 LYS A 49 4.975 27.102 5.495 1.00 41.03 H new ATOM 799 N VAL A 50 3.291 19.845 2.698 1.00 51.33 N ATOM 800 CA VAL A 50 1.964 19.469 2.224 1.00 1.34 C ATOM 801 C VAL A 50 1.081 19.003 3.377 1.00 42.44 C ATOM 802 O VAL A 50 1.552 18.357 4.312 1.00 22.35 O ATOM 803 CB VAL A 50 2.041 18.352 1.167 1.00 42.11 C ATOM 804 CG1 VAL A 50 2.578 17.069 1.783 1.00 11.33 C ATOM 805 CG2 VAL A 50 0.676 18.120 0.537 1.00 1.11 C ATOM 0 H VAL A 50 3.644 19.271 3.464 1.00 51.33 H new ATOM 0 HA VAL A 50 1.526 20.358 1.770 1.00 1.34 H new ATOM 0 HB VAL A 50 2.730 18.665 0.382 1.00 42.11 H new ATOM 0 HG11 VAL A 50 2.625 16.291 1.021 1.00 11.33 H new ATOM 0 HG12 VAL A 50 3.577 17.247 2.182 1.00 11.33 H new ATOM 0 HG13 VAL A 50 1.918 16.748 2.588 1.00 11.33 H new ATOM 0 HG21 VAL A 50 0.749 17.327 -0.208 1.00 1.11 H new ATOM 0 HG22 VAL A 50 -0.036 17.828 1.309 1.00 1.11 H new ATOM 0 HG23 VAL A 50 0.336 19.038 0.058 1.00 1.11 H new ATOM 815 N LYS A 51 -0.203 19.336 3.302 1.00 31.34 N ATOM 816 CA LYS A 51 -1.155 18.950 4.338 1.00 43.42 C ATOM 817 C LYS A 51 -0.675 19.404 5.713 1.00 33.51 C ATOM 818 O LYS A 51 -0.913 18.732 6.716 1.00 13.43 O ATOM 819 CB LYS A 51 -1.360 17.434 4.332 1.00 72.03 C ATOM 820 CG LYS A 51 -1.864 16.894 3.004 1.00 24.34 C ATOM 821 CD LYS A 51 -3.303 17.305 2.745 1.00 72.11 C ATOM 822 CE LYS A 51 -4.269 16.554 3.649 1.00 61.34 C ATOM 823 NZ LYS A 51 -4.850 17.438 4.697 1.00 44.13 N ATOM 0 H LYS A 51 -0.609 19.872 2.535 1.00 31.34 H new ATOM 0 HA LYS A 51 -2.105 19.439 4.124 1.00 43.42 H new ATOM 0 HB2 LYS A 51 -0.416 16.947 4.578 1.00 72.03 H new ATOM 0 HB3 LYS A 51 -2.070 17.169 5.116 1.00 72.03 H new ATOM 0 HG2 LYS A 51 -1.229 17.260 2.197 1.00 24.34 H new ATOM 0 HG3 LYS A 51 -1.789 15.807 3.000 1.00 24.34 H new ATOM 0 HD2 LYS A 51 -3.411 18.378 2.907 1.00 72.11 H new ATOM 0 HD3 LYS A 51 -3.555 17.113 1.702 1.00 72.11 H new ATOM 0 HE2 LYS A 51 -5.072 16.128 3.048 1.00 61.34 H new ATOM 0 HE3 LYS A 51 -3.750 15.721 4.123 1.00 61.34 H new ATOM 0 HZ1 LYS A 51 -5.380 16.862 5.382 1.00 44.13 H new ATOM 0 HZ2 LYS A 51 -4.085 17.943 5.188 1.00 44.13 H new ATOM 0 HZ3 LYS A 51 -5.491 18.127 4.254 1.00 44.13 H new ATOM 837 N GLY A 52 0.001 20.548 5.752 1.00 34.01 N ATOM 838 CA GLY A 52 0.501 21.071 7.010 1.00 42.43 C ATOM 839 C GLY A 52 1.841 20.475 7.393 1.00 1.54 C ATOM 840 O GLY A 52 2.532 20.994 8.271 1.00 51.33 O ATOM 0 H GLY A 52 0.211 21.122 4.935 1.00 34.01 H new ATOM 0 HA2 GLY A 52 0.596 22.154 6.938 1.00 42.43 H new ATOM 0 HA3 GLY A 52 -0.223 20.866 7.799 1.00 42.43 H new ATOM 844 N LYS A 53 2.210 19.381 6.736 1.00 1.14 N ATOM 845 CA LYS A 53 3.476 18.712 7.013 1.00 51.42 C ATOM 846 C LYS A 53 4.626 19.404 6.288 1.00 3.24 C ATOM 847 O LYS A 53 4.458 19.981 5.214 1.00 54.11 O ATOM 848 CB LYS A 53 3.403 17.243 6.590 1.00 2.33 C ATOM 849 CG LYS A 53 2.498 16.401 7.472 1.00 31.12 C ATOM 850 CD LYS A 53 2.995 16.364 8.908 1.00 51.14 C ATOM 851 CE LYS A 53 3.071 14.939 9.435 1.00 54.41 C ATOM 852 NZ LYS A 53 1.834 14.553 10.169 1.00 53.13 N ATOM 0 H LYS A 53 1.650 18.938 6.007 1.00 1.14 H new ATOM 0 HA LYS A 53 3.660 18.766 8.086 1.00 51.42 H new ATOM 0 HB2 LYS A 53 3.048 17.187 5.561 1.00 2.33 H new ATOM 0 HB3 LYS A 53 4.407 16.819 6.604 1.00 2.33 H new ATOM 0 HG2 LYS A 53 1.486 16.805 7.447 1.00 31.12 H new ATOM 0 HG3 LYS A 53 2.446 15.386 7.078 1.00 31.12 H new ATOM 0 HD2 LYS A 53 3.980 16.827 8.965 1.00 51.14 H new ATOM 0 HD3 LYS A 53 2.329 16.952 9.540 1.00 51.14 H new ATOM 0 HE2 LYS A 53 3.229 14.252 8.604 1.00 54.41 H new ATOM 0 HE3 LYS A 53 3.931 14.842 10.097 1.00 54.41 H new ATOM 0 HZ1 LYS A 53 1.925 13.576 10.512 1.00 53.13 H new ATOM 0 HZ2 LYS A 53 1.696 15.193 10.977 1.00 53.13 H new ATOM 0 HZ3 LYS A 53 1.016 14.621 9.530 1.00 53.13 H new ATOM 866 N PRO A 54 5.825 19.345 6.888 1.00 52.53 N ATOM 867 CA PRO A 54 7.027 19.959 6.316 1.00 52.42 C ATOM 868 C PRO A 54 7.508 19.235 5.064 1.00 62.44 C ATOM 869 O PRO A 54 7.999 19.859 4.124 1.00 52.05 O ATOM 870 CB PRO A 54 8.059 19.831 7.438 1.00 24.34 C ATOM 871 CG PRO A 54 7.601 18.664 8.243 1.00 71.42 C ATOM 872 CD PRO A 54 6.099 18.675 8.170 1.00 70.44 C ATOM 0 HA PRO A 54 6.848 20.986 5.998 1.00 52.42 H new ATOM 0 HB2 PRO A 54 9.060 19.668 7.038 1.00 24.34 H new ATOM 0 HB3 PRO A 54 8.101 20.737 8.043 1.00 24.34 H new ATOM 0 HG2 PRO A 54 8.004 17.733 7.845 1.00 71.42 H new ATOM 0 HG3 PRO A 54 7.942 18.744 9.275 1.00 71.42 H new ATOM 0 HD2 PRO A 54 5.688 17.666 8.192 1.00 70.44 H new ATOM 0 HD3 PRO A 54 5.660 19.216 9.008 1.00 70.44 H new ATOM 880 N ALA A 55 7.364 17.913 5.058 1.00 41.40 N ATOM 881 CA ALA A 55 7.782 17.104 3.920 1.00 41.21 C ATOM 882 C ALA A 55 9.088 17.623 3.327 1.00 14.41 C ATOM 883 O ALA A 55 9.261 17.644 2.109 1.00 1.41 O ATOM 884 CB ALA A 55 6.691 17.081 2.860 1.00 40.23 C ATOM 0 H ALA A 55 6.961 17.380 5.829 1.00 41.40 H new ATOM 0 HA ALA A 55 7.953 16.087 4.272 1.00 41.21 H new ATOM 0 HB1 ALA A 55 7.017 16.473 2.016 1.00 40.23 H new ATOM 0 HB2 ALA A 55 5.781 16.656 3.284 1.00 40.23 H new ATOM 0 HB3 ALA A 55 6.492 18.097 2.520 1.00 40.23 H new ATOM 890 N GLU A 56 10.002 18.042 4.197 1.00 51.04 N ATOM 891 CA GLU A 56 11.291 18.563 3.757 1.00 21.31 C ATOM 892 C GLU A 56 12.128 17.465 3.106 1.00 10.03 C ATOM 893 O GLU A 56 12.266 17.417 1.885 1.00 75.22 O ATOM 894 CB GLU A 56 12.052 19.166 4.939 1.00 3.33 C ATOM 895 CG GLU A 56 13.442 19.663 4.579 1.00 63.33 C ATOM 896 CD GLU A 56 13.603 21.155 4.796 1.00 64.25 C ATOM 897 OE1 GLU A 56 12.776 21.925 4.265 1.00 71.20 O ATOM 898 OE2 GLU A 56 14.558 21.552 5.497 1.00 54.15 O ATOM 0 H GLU A 56 9.874 18.031 5.209 1.00 51.04 H new ATOM 0 HA GLU A 56 11.106 19.342 3.017 1.00 21.31 H new ATOM 0 HB2 GLU A 56 11.474 19.995 5.348 1.00 3.33 H new ATOM 0 HB3 GLU A 56 12.136 18.417 5.726 1.00 3.33 H new ATOM 0 HG2 GLU A 56 14.181 19.131 5.179 1.00 63.33 H new ATOM 0 HG3 GLU A 56 13.649 19.427 3.535 1.00 63.33 H new ATOM 905 N ASN A 57 12.685 16.586 3.933 1.00 64.35 N ATOM 906 CA ASN A 57 13.510 15.489 3.438 1.00 31.14 C ATOM 907 C ASN A 57 13.507 14.321 4.420 1.00 0.12 C ATOM 908 O ASN A 57 13.464 13.158 4.018 1.00 44.44 O ATOM 909 CB ASN A 57 14.944 15.968 3.202 1.00 32.42 C ATOM 910 CG ASN A 57 15.355 17.061 4.170 1.00 63.53 C ATOM 911 OD1 ASN A 57 15.080 16.981 5.367 1.00 60.10 O ATOM 912 ND2 ASN A 57 16.018 18.089 3.653 1.00 21.13 N ATOM 0 H ASN A 57 12.581 16.612 4.947 1.00 64.35 H new ATOM 0 HA ASN A 57 13.088 15.147 2.493 1.00 31.14 H new ATOM 0 HB2 ASN A 57 15.627 15.124 3.300 1.00 32.42 H new ATOM 0 HB3 ASN A 57 15.038 16.337 2.181 1.00 32.42 H new ATOM 0 HD21 ASN A 57 16.321 18.855 4.255 1.00 21.13 H new ATOM 0 HD22 ASN A 57 16.224 18.113 2.654 1.00 21.13 H new ATOM 919 N ASP A 58 13.552 14.639 5.709 1.00 1.12 N ATOM 920 CA ASP A 58 13.553 13.617 6.749 1.00 31.13 C ATOM 921 C ASP A 58 12.180 12.962 6.869 1.00 42.21 C ATOM 922 O ASP A 58 11.995 12.021 7.641 1.00 54.41 O ATOM 923 CB ASP A 58 13.960 14.226 8.092 1.00 21.40 C ATOM 924 CG ASP A 58 14.103 13.181 9.182 1.00 40.24 C ATOM 925 OD1 ASP A 58 14.770 12.155 8.935 1.00 21.12 O ATOM 926 OD2 ASP A 58 13.547 13.390 10.280 1.00 30.35 O ATOM 0 H ASP A 58 13.588 15.596 6.059 1.00 1.12 H new ATOM 0 HA ASP A 58 14.278 12.852 6.471 1.00 31.13 H new ATOM 0 HB2 ASP A 58 14.905 14.757 7.976 1.00 21.40 H new ATOM 0 HB3 ASP A 58 13.216 14.963 8.394 1.00 21.40 H new ATOM 931 N VAL A 59 11.220 13.467 6.100 1.00 4.12 N ATOM 932 CA VAL A 59 9.864 12.932 6.120 1.00 63.32 C ATOM 933 C VAL A 59 9.699 11.816 5.094 1.00 23.33 C ATOM 934 O VAL A 59 10.325 11.833 4.034 1.00 4.54 O ATOM 935 CB VAL A 59 8.823 14.031 5.838 1.00 32.12 C ATOM 936 CG1 VAL A 59 7.503 13.703 6.519 1.00 73.10 C ATOM 937 CG2 VAL A 59 9.344 15.386 6.291 1.00 14.44 C ATOM 0 H VAL A 59 11.357 14.246 5.456 1.00 4.12 H new ATOM 0 HA VAL A 59 9.696 12.531 7.120 1.00 63.32 H new ATOM 0 HB VAL A 59 8.648 14.075 4.763 1.00 32.12 H new ATOM 0 HG11 VAL A 59 6.779 14.491 6.309 1.00 73.10 H new ATOM 0 HG12 VAL A 59 7.125 12.753 6.142 1.00 73.10 H new ATOM 0 HG13 VAL A 59 7.657 13.630 7.596 1.00 73.10 H new ATOM 0 HG21 VAL A 59 8.596 16.151 6.084 1.00 14.44 H new ATOM 0 HG22 VAL A 59 9.548 15.358 7.361 1.00 14.44 H new ATOM 0 HG23 VAL A 59 10.262 15.621 5.753 1.00 14.44 H new ATOM 947 N LYS A 60 8.852 10.845 5.416 1.00 35.43 N ATOM 948 CA LYS A 60 8.601 9.720 4.523 1.00 21.41 C ATOM 949 C LYS A 60 7.439 10.020 3.582 1.00 41.41 C ATOM 950 O LYS A 60 6.496 10.723 3.948 1.00 42.40 O ATOM 951 CB LYS A 60 8.302 8.456 5.333 1.00 74.03 C ATOM 952 CG LYS A 60 9.529 7.850 5.991 1.00 41.02 C ATOM 953 CD LYS A 60 9.453 6.333 6.022 1.00 64.30 C ATOM 954 CE LYS A 60 10.324 5.754 7.127 1.00 62.24 C ATOM 955 NZ LYS A 60 9.565 5.576 8.395 1.00 22.23 N ATOM 0 H LYS A 60 8.327 10.814 6.290 1.00 35.43 H new ATOM 0 HA LYS A 60 9.497 9.557 3.924 1.00 21.41 H new ATOM 0 HB2 LYS A 60 7.567 8.693 6.103 1.00 74.03 H new ATOM 0 HB3 LYS A 60 7.848 7.713 4.677 1.00 74.03 H new ATOM 0 HG2 LYS A 60 10.423 8.159 5.450 1.00 41.02 H new ATOM 0 HG3 LYS A 60 9.624 8.231 7.008 1.00 41.02 H new ATOM 0 HD2 LYS A 60 8.419 6.022 6.172 1.00 64.30 H new ATOM 0 HD3 LYS A 60 9.770 5.932 5.059 1.00 64.30 H new ATOM 0 HE2 LYS A 60 10.726 4.793 6.806 1.00 62.24 H new ATOM 0 HE3 LYS A 60 11.174 6.413 7.302 1.00 62.24 H new ATOM 0 HZ1 LYS A 60 10.193 5.180 9.123 1.00 22.23 H new ATOM 0 HZ2 LYS A 60 9.202 6.497 8.715 1.00 22.23 H new ATOM 0 HZ3 LYS A 60 8.768 4.927 8.235 1.00 22.23 H new ATOM 969 N LEU A 61 7.512 9.483 2.369 1.00 11.12 N ATOM 970 CA LEU A 61 6.465 9.693 1.375 1.00 33.24 C ATOM 971 C LEU A 61 5.093 9.353 1.950 1.00 41.13 C ATOM 972 O LEU A 61 4.105 10.028 1.665 1.00 51.14 O ATOM 973 CB LEU A 61 6.735 8.842 0.133 1.00 22.23 C ATOM 974 CG LEU A 61 8.182 8.815 -0.360 1.00 24.13 C ATOM 975 CD1 LEU A 61 8.311 7.929 -1.589 1.00 41.22 C ATOM 976 CD2 LEU A 61 8.669 10.225 -0.662 1.00 71.34 C ATOM 0 H LEU A 61 8.285 8.899 2.050 1.00 11.12 H new ATOM 0 HA LEU A 61 6.471 10.746 1.094 1.00 33.24 H new ATOM 0 HB2 LEU A 61 6.425 7.819 0.344 1.00 22.23 H new ATOM 0 HB3 LEU A 61 6.103 9.206 -0.677 1.00 22.23 H new ATOM 0 HG LEU A 61 8.807 8.398 0.430 1.00 24.13 H new ATOM 0 HD11 LEU A 61 9.348 7.922 -1.925 1.00 41.22 H new ATOM 0 HD12 LEU A 61 8.004 6.913 -1.339 1.00 41.22 H new ATOM 0 HD13 LEU A 61 7.674 8.315 -2.385 1.00 41.22 H new ATOM 0 HD21 LEU A 61 9.701 10.187 -1.012 1.00 71.34 H new ATOM 0 HD22 LEU A 61 8.041 10.669 -1.434 1.00 71.34 H new ATOM 0 HD23 LEU A 61 8.615 10.830 0.243 1.00 71.34 H new ATOM 988 N GLY A 62 5.041 8.302 2.763 1.00 41.23 N ATOM 989 CA GLY A 62 3.787 7.892 3.366 1.00 14.52 C ATOM 990 C GLY A 62 3.370 8.798 4.508 1.00 32.45 C ATOM 991 O GLY A 62 2.205 8.810 4.906 1.00 24.34 O ATOM 0 H GLY A 62 5.845 7.727 3.014 1.00 41.23 H new ATOM 0 HA2 GLY A 62 3.006 7.888 2.606 1.00 14.52 H new ATOM 0 HA3 GLY A 62 3.881 6.870 3.733 1.00 14.52 H new ATOM 995 N ALA A 63 4.323 9.556 5.038 1.00 5.53 N ATOM 996 CA ALA A 63 4.049 10.469 6.141 1.00 21.14 C ATOM 997 C ALA A 63 3.515 11.803 5.631 1.00 63.14 C ATOM 998 O ALA A 63 2.973 12.601 6.397 1.00 62.33 O ATOM 999 CB ALA A 63 5.305 10.684 6.973 1.00 51.30 C ATOM 0 H ALA A 63 5.293 9.556 4.721 1.00 5.53 H new ATOM 0 HA ALA A 63 3.282 10.018 6.771 1.00 21.14 H new ATOM 0 HB1 ALA A 63 5.086 11.368 7.793 1.00 51.30 H new ATOM 0 HB2 ALA A 63 5.642 9.729 7.377 1.00 51.30 H new ATOM 0 HB3 ALA A 63 6.089 11.109 6.346 1.00 51.30 H new ATOM 1005 N LEU A 64 3.672 12.040 4.333 1.00 64.30 N ATOM 1006 CA LEU A 64 3.206 13.278 3.719 1.00 4.54 C ATOM 1007 C LEU A 64 1.748 13.158 3.289 1.00 11.25 C ATOM 1008 O LEU A 64 1.071 14.161 3.062 1.00 45.45 O ATOM 1009 CB LEU A 64 4.078 13.633 2.513 1.00 20.33 C ATOM 1010 CG LEU A 64 5.498 13.066 2.522 1.00 61.32 C ATOM 1011 CD1 LEU A 64 6.184 13.324 1.189 1.00 31.12 C ATOM 1012 CD2 LEU A 64 6.305 13.665 3.664 1.00 0.51 C ATOM 0 H LEU A 64 4.119 11.391 3.686 1.00 64.30 H new ATOM 0 HA LEU A 64 3.282 14.073 4.461 1.00 4.54 H new ATOM 0 HB2 LEU A 64 3.575 13.285 1.611 1.00 20.33 H new ATOM 0 HB3 LEU A 64 4.142 14.719 2.443 1.00 20.33 H new ATOM 0 HG LEU A 64 5.437 11.988 2.674 1.00 61.32 H new ATOM 0 HD11 LEU A 64 7.193 12.914 1.214 1.00 31.12 H new ATOM 0 HD12 LEU A 64 5.618 12.846 0.390 1.00 31.12 H new ATOM 0 HD13 LEU A 64 6.233 14.398 1.007 1.00 31.12 H new ATOM 0 HD21 LEU A 64 7.313 13.250 3.654 1.00 0.51 H new ATOM 0 HD22 LEU A 64 6.357 14.747 3.544 1.00 0.51 H new ATOM 0 HD23 LEU A 64 5.824 13.428 4.613 1.00 0.51 H new ATOM 1024 N LYS A 65 1.268 11.924 3.182 1.00 30.23 N ATOM 1025 CA LYS A 65 -0.111 11.671 2.783 1.00 34.44 C ATOM 1026 C LYS A 65 -0.470 12.465 1.531 1.00 32.44 C ATOM 1027 O LYS A 65 -1.533 13.084 1.460 1.00 64.11 O ATOM 1028 CB LYS A 65 -1.068 12.033 3.922 1.00 41.23 C ATOM 1029 CG LYS A 65 -0.805 11.265 5.205 1.00 22.13 C ATOM 1030 CD LYS A 65 0.226 11.966 6.074 1.00 41.33 C ATOM 1031 CE LYS A 65 -0.325 12.269 7.459 1.00 61.33 C ATOM 1032 NZ LYS A 65 -0.687 13.705 7.610 1.00 55.11 N ATOM 0 H LYS A 65 1.814 11.083 3.366 1.00 30.23 H new ATOM 0 HA LYS A 65 -0.209 10.609 2.558 1.00 34.44 H new ATOM 0 HB2 LYS A 65 -0.990 13.101 4.125 1.00 41.23 H new ATOM 0 HB3 LYS A 65 -2.092 11.844 3.599 1.00 41.23 H new ATOM 0 HG2 LYS A 65 -1.736 11.154 5.761 1.00 22.13 H new ATOM 0 HG3 LYS A 65 -0.456 10.261 4.964 1.00 22.13 H new ATOM 0 HD2 LYS A 65 1.114 11.340 6.164 1.00 41.33 H new ATOM 0 HD3 LYS A 65 0.537 12.894 5.594 1.00 41.33 H new ATOM 0 HE2 LYS A 65 -1.204 11.652 7.643 1.00 61.33 H new ATOM 0 HE3 LYS A 65 0.416 12.000 8.212 1.00 61.33 H new ATOM 0 HZ1 LYS A 65 -1.058 13.871 8.567 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 0.157 14.293 7.460 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 -1.413 13.956 6.909 1.00 55.11 H new ATOM 1046 N LEU A 66 0.421 12.441 0.546 1.00 14.43 N ATOM 1047 CA LEU A 66 0.197 13.158 -0.705 1.00 0.15 C ATOM 1048 C LEU A 66 -0.317 12.215 -1.788 1.00 45.30 C ATOM 1049 O LEU A 66 -0.047 11.014 -1.761 1.00 4.45 O ATOM 1050 CB LEU A 66 1.490 13.830 -1.168 1.00 45.24 C ATOM 1051 CG LEU A 66 1.543 15.352 -1.031 1.00 11.14 C ATOM 1052 CD1 LEU A 66 2.906 15.880 -1.451 1.00 71.52 C ATOM 1053 CD2 LEU A 66 0.440 16.001 -1.855 1.00 64.50 C ATOM 0 H LEU A 66 1.305 11.933 0.589 1.00 14.43 H new ATOM 0 HA LEU A 66 -0.559 13.923 -0.527 1.00 0.15 H new ATOM 0 HB2 LEU A 66 2.319 13.405 -0.602 1.00 45.24 H new ATOM 0 HB3 LEU A 66 1.654 13.574 -2.215 1.00 45.24 H new ATOM 0 HG LEU A 66 1.385 15.608 0.017 1.00 11.14 H new ATOM 0 HD11 LEU A 66 2.924 16.965 -1.346 1.00 71.52 H new ATOM 0 HD12 LEU A 66 3.677 15.442 -0.817 1.00 71.52 H new ATOM 0 HD13 LEU A 66 3.095 15.613 -2.491 1.00 71.52 H new ATOM 0 HD21 LEU A 66 0.493 17.084 -1.745 1.00 64.50 H new ATOM 0 HD22 LEU A 66 0.566 15.736 -2.905 1.00 64.50 H new ATOM 0 HD23 LEU A 66 -0.530 15.648 -1.506 1.00 64.50 H new ATOM 1065 N LYS A 67 -1.057 12.768 -2.743 1.00 62.52 N ATOM 1066 CA LYS A 67 -1.606 11.978 -3.839 1.00 60.11 C ATOM 1067 C LYS A 67 -0.497 11.479 -4.760 1.00 4.43 C ATOM 1068 O LYS A 67 0.611 12.017 -4.785 1.00 14.31 O ATOM 1069 CB LYS A 67 -2.612 12.808 -4.639 1.00 14.31 C ATOM 1070 CG LYS A 67 -4.045 12.657 -4.157 1.00 2.40 C ATOM 1071 CD LYS A 67 -4.792 13.980 -4.205 1.00 63.33 C ATOM 1072 CE LYS A 67 -4.677 14.733 -2.889 1.00 34.12 C ATOM 1073 NZ LYS A 67 -4.005 16.050 -3.060 1.00 45.20 N ATOM 0 H LYS A 67 -1.290 13.760 -2.780 1.00 62.52 H new ATOM 0 HA LYS A 67 -2.115 11.114 -3.411 1.00 60.11 H new ATOM 0 HB2 LYS A 67 -2.328 13.859 -4.585 1.00 14.31 H new ATOM 0 HB3 LYS A 67 -2.558 12.517 -5.688 1.00 14.31 H new ATOM 0 HG2 LYS A 67 -4.562 11.923 -4.775 1.00 2.40 H new ATOM 0 HG3 LYS A 67 -4.048 12.273 -3.137 1.00 2.40 H new ATOM 0 HD2 LYS A 67 -4.394 14.594 -5.013 1.00 63.33 H new ATOM 0 HD3 LYS A 67 -5.843 13.798 -4.431 1.00 63.33 H new ATOM 0 HE2 LYS A 67 -5.672 14.885 -2.469 1.00 34.12 H new ATOM 0 HE3 LYS A 67 -4.118 14.130 -2.173 1.00 34.12 H new ATOM 0 HZ1 LYS A 67 -3.946 16.532 -2.140 1.00 45.20 H new ATOM 0 HZ2 LYS A 67 -3.047 15.904 -3.436 1.00 45.20 H new ATOM 0 HZ3 LYS A 67 -4.552 16.635 -3.723 1.00 45.20 H new ATOM 1087 N PRO A 68 -0.798 10.428 -5.536 1.00 33.12 N ATOM 1088 CA PRO A 68 0.160 9.836 -6.474 1.00 31.52 C ATOM 1089 C PRO A 68 0.453 10.750 -7.658 1.00 52.22 C ATOM 1090 O PRO A 68 1.582 10.812 -8.142 1.00 2.21 O ATOM 1091 CB PRO A 68 -0.546 8.561 -6.944 1.00 44.11 C ATOM 1092 CG PRO A 68 -1.997 8.843 -6.763 1.00 32.10 C ATOM 1093 CD PRO A 68 -2.098 9.737 -5.558 1.00 34.31 C ATOM 0 HA PRO A 68 1.129 9.656 -6.008 1.00 31.52 H new ATOM 0 HB2 PRO A 68 -0.313 8.340 -7.986 1.00 44.11 H new ATOM 0 HB3 PRO A 68 -0.234 7.697 -6.357 1.00 44.11 H new ATOM 0 HG2 PRO A 68 -2.413 9.329 -7.645 1.00 32.10 H new ATOM 0 HG3 PRO A 68 -2.558 7.921 -6.613 1.00 32.10 H new ATOM 0 HD2 PRO A 68 -2.926 10.441 -5.648 1.00 34.31 H new ATOM 0 HD3 PRO A 68 -2.264 9.164 -4.646 1.00 34.31 H new ATOM 1101 N ASN A 69 -0.572 11.459 -8.120 1.00 51.22 N ATOM 1102 CA ASN A 69 -0.424 12.371 -9.249 1.00 2.03 C ATOM 1103 C ASN A 69 0.225 13.680 -8.809 1.00 14.13 C ATOM 1104 O ASN A 69 0.699 14.460 -9.635 1.00 62.02 O ATOM 1105 CB ASN A 69 -1.786 12.653 -9.886 1.00 60.40 C ATOM 1106 CG ASN A 69 -2.154 11.627 -10.941 1.00 3.11 C ATOM 1107 OD1 ASN A 69 -2.531 11.978 -12.059 1.00 14.21 O ATOM 1108 ND2 ASN A 69 -2.045 10.351 -10.589 1.00 1.31 N ATOM 0 H ASN A 69 -1.514 11.420 -7.730 1.00 51.22 H new ATOM 0 HA ASN A 69 0.223 11.895 -9.986 1.00 2.03 H new ATOM 0 HB2 ASN A 69 -2.552 12.663 -9.110 1.00 60.40 H new ATOM 0 HB3 ASN A 69 -1.775 13.646 -10.336 1.00 60.40 H new ATOM 0 HD21 ASN A 69 -2.278 9.616 -11.257 1.00 1.31 H new ATOM 0 HD22 ASN A 69 -1.728 10.106 -9.651 1.00 1.31 H new ATOM 1115 N THR A 70 0.242 13.915 -7.500 1.00 40.23 N ATOM 1116 CA THR A 70 0.831 15.129 -6.950 1.00 3.23 C ATOM 1117 C THR A 70 2.011 15.599 -7.793 1.00 51.20 C ATOM 1118 O THR A 70 2.966 14.854 -8.014 1.00 10.23 O ATOM 1119 CB THR A 70 1.304 14.916 -5.499 1.00 43.13 C ATOM 1120 OG1 THR A 70 0.182 14.646 -4.653 1.00 33.25 O ATOM 1121 CG2 THR A 70 2.049 16.140 -4.988 1.00 12.14 C ATOM 0 H THR A 70 -0.145 13.280 -6.802 1.00 40.23 H new ATOM 0 HA THR A 70 0.052 15.892 -6.963 1.00 3.23 H new ATOM 0 HB THR A 70 1.984 14.064 -5.483 1.00 43.13 H new ATOM 0 HG1 THR A 70 0.256 13.738 -4.291 1.00 33.25 H new ATOM 0 HG21 THR A 70 2.373 15.966 -3.962 1.00 12.14 H new ATOM 0 HG22 THR A 70 2.920 16.325 -5.617 1.00 12.14 H new ATOM 0 HG23 THR A 70 1.389 17.007 -5.018 1.00 12.14 H new ATOM 1129 N LYS A 71 1.939 16.840 -8.262 1.00 43.24 N ATOM 1130 CA LYS A 71 3.002 17.412 -9.081 1.00 23.25 C ATOM 1131 C LYS A 71 3.996 18.184 -8.219 1.00 43.11 C ATOM 1132 O LYS A 71 3.621 18.794 -7.217 1.00 72.04 O ATOM 1133 CB LYS A 71 2.412 18.335 -10.148 1.00 55.14 C ATOM 1134 CG LYS A 71 1.161 17.780 -10.808 1.00 14.54 C ATOM 1135 CD LYS A 71 -0.085 18.521 -10.352 1.00 13.24 C ATOM 1136 CE LYS A 71 -1.352 17.785 -10.760 1.00 11.04 C ATOM 1137 NZ LYS A 71 -2.289 17.617 -9.614 1.00 70.44 N ATOM 0 H LYS A 71 1.155 17.470 -8.089 1.00 43.24 H new ATOM 0 HA LYS A 71 3.530 16.593 -9.570 1.00 23.25 H new ATOM 0 HB2 LYS A 71 2.177 19.298 -9.694 1.00 55.14 H new ATOM 0 HB3 LYS A 71 3.165 18.520 -10.914 1.00 55.14 H new ATOM 0 HG2 LYS A 71 1.255 17.857 -11.891 1.00 14.54 H new ATOM 0 HG3 LYS A 71 1.063 16.721 -10.571 1.00 14.54 H new ATOM 0 HD2 LYS A 71 -0.064 18.638 -9.269 1.00 13.24 H new ATOM 0 HD3 LYS A 71 -0.091 19.523 -10.781 1.00 13.24 H new ATOM 0 HE2 LYS A 71 -1.850 18.334 -11.559 1.00 11.04 H new ATOM 0 HE3 LYS A 71 -1.090 16.806 -11.162 1.00 11.04 H new ATOM 0 HZ1 LYS A 71 -3.140 17.111 -9.933 1.00 70.44 H new ATOM 0 HZ2 LYS A 71 -1.823 17.071 -8.862 1.00 70.44 H new ATOM 0 HZ3 LYS A 71 -2.559 18.552 -9.247 1.00 70.44 H new ATOM 1151 N ILE A 72 5.264 18.155 -8.616 1.00 60.31 N ATOM 1152 CA ILE A 72 6.310 18.854 -7.881 1.00 45.32 C ATOM 1153 C ILE A 72 6.920 19.971 -8.722 1.00 62.21 C ATOM 1154 O ILE A 72 7.275 19.765 -9.882 1.00 63.52 O ATOM 1155 CB ILE A 72 7.428 17.891 -7.439 1.00 40.20 C ATOM 1156 CG1 ILE A 72 6.854 16.778 -6.560 1.00 53.12 C ATOM 1157 CG2 ILE A 72 8.518 18.650 -6.697 1.00 63.12 C ATOM 1158 CD1 ILE A 72 6.141 17.288 -5.328 1.00 14.53 C ATOM 0 H ILE A 72 5.591 17.655 -9.443 1.00 60.31 H new ATOM 0 HA ILE A 72 5.840 19.283 -6.996 1.00 45.32 H new ATOM 0 HB ILE A 72 7.868 17.437 -8.327 1.00 40.20 H new ATOM 0 HG12 ILE A 72 6.159 16.181 -7.151 1.00 53.12 H new ATOM 0 HG13 ILE A 72 7.663 16.115 -6.253 1.00 53.12 H new ATOM 0 HG21 ILE A 72 9.301 17.956 -6.391 1.00 63.12 H new ATOM 0 HG22 ILE A 72 8.943 19.410 -7.353 1.00 63.12 H new ATOM 0 HG23 ILE A 72 8.092 19.128 -5.815 1.00 63.12 H new ATOM 0 HD11 ILE A 72 5.760 16.444 -4.753 1.00 14.53 H new ATOM 0 HD12 ILE A 72 6.838 17.860 -4.715 1.00 14.53 H new ATOM 0 HD13 ILE A 72 5.311 17.928 -5.627 1.00 14.53 H new ATOM 1170 N MET A 73 7.040 21.154 -8.128 1.00 21.51 N ATOM 1171 CA MET A 73 7.610 22.303 -8.822 1.00 23.52 C ATOM 1172 C MET A 73 9.034 22.573 -8.347 1.00 25.51 C ATOM 1173 O MET A 73 9.341 22.430 -7.164 1.00 3.33 O ATOM 1174 CB MET A 73 6.742 23.542 -8.599 1.00 2.44 C ATOM 1175 CG MET A 73 5.305 23.370 -9.063 1.00 62.24 C ATOM 1176 SD MET A 73 4.159 24.460 -8.198 1.00 4.04 S ATOM 1177 CE MET A 73 4.138 23.707 -6.573 1.00 31.13 C ATOM 0 H MET A 73 6.750 21.342 -7.168 1.00 21.51 H new ATOM 0 HA MET A 73 7.638 22.075 -9.888 1.00 23.52 H new ATOM 0 HB2 MET A 73 6.745 23.791 -7.538 1.00 2.44 H new ATOM 0 HB3 MET A 73 7.187 24.386 -9.126 1.00 2.44 H new ATOM 0 HG2 MET A 73 5.248 23.565 -10.134 1.00 62.24 H new ATOM 0 HG3 MET A 73 5.000 22.335 -8.911 1.00 62.24 H new ATOM 0 HE1 MET A 73 3.187 23.920 -6.085 1.00 31.13 H new ATOM 0 HE2 MET A 73 4.262 22.628 -6.670 1.00 31.13 H new ATOM 0 HE3 MET A 73 4.952 24.113 -5.973 1.00 31.13 H new ATOM 1187 N MET A 74 9.900 22.962 -9.277 1.00 51.22 N ATOM 1188 CA MET A 74 11.291 23.253 -8.952 1.00 65.32 C ATOM 1189 C MET A 74 11.743 24.553 -9.609 1.00 63.05 C ATOM 1190 O MET A 74 11.744 24.672 -10.834 1.00 51.33 O ATOM 1191 CB MET A 74 12.193 22.101 -9.400 1.00 63.03 C ATOM 1192 CG MET A 74 11.868 20.777 -8.728 1.00 11.24 C ATOM 1193 SD MET A 74 12.944 19.437 -9.274 1.00 53.40 S ATOM 1194 CE MET A 74 12.334 19.171 -10.937 1.00 22.40 C ATOM 0 H MET A 74 9.663 23.083 -10.262 1.00 51.22 H new ATOM 0 HA MET A 74 11.369 23.367 -7.871 1.00 65.32 H new ATOM 0 HB2 MET A 74 12.106 21.982 -10.480 1.00 63.03 H new ATOM 0 HB3 MET A 74 13.231 22.360 -9.190 1.00 63.03 H new ATOM 0 HG2 MET A 74 11.956 20.891 -7.648 1.00 11.24 H new ATOM 0 HG3 MET A 74 10.831 20.513 -8.937 1.00 11.24 H new ATOM 0 HE1 MET A 74 12.389 18.110 -11.179 1.00 22.40 H new ATOM 0 HE2 MET A 74 11.298 19.505 -11.002 1.00 22.40 H new ATOM 0 HE3 MET A 74 12.943 19.737 -11.643 1.00 22.40 H new ATOM 1204 N MET A 75 12.126 25.524 -8.787 1.00 44.44 N ATOM 1205 CA MET A 75 12.581 26.816 -9.290 1.00 62.52 C ATOM 1206 C MET A 75 14.094 26.952 -9.148 1.00 13.34 C ATOM 1207 O MET A 75 14.642 26.779 -8.060 1.00 45.52 O ATOM 1208 CB MET A 75 11.882 27.953 -8.543 1.00 72.13 C ATOM 1209 CG MET A 75 10.376 27.979 -8.749 1.00 11.13 C ATOM 1210 SD MET A 75 9.841 29.351 -9.789 1.00 73.24 S ATOM 1211 CE MET A 75 9.190 28.468 -11.205 1.00 73.32 C ATOM 0 H MET A 75 12.131 25.442 -7.770 1.00 44.44 H new ATOM 0 HA MET A 75 12.326 26.876 -10.348 1.00 62.52 H new ATOM 0 HB2 MET A 75 12.093 27.861 -7.478 1.00 72.13 H new ATOM 0 HB3 MET A 75 12.302 28.904 -8.870 1.00 72.13 H new ATOM 0 HG2 MET A 75 10.059 27.040 -9.202 1.00 11.13 H new ATOM 0 HG3 MET A 75 9.882 28.048 -7.780 1.00 11.13 H new ATOM 0 HE1 MET A 75 8.819 29.182 -11.940 1.00 73.32 H new ATOM 0 HE2 MET A 75 9.980 27.864 -11.652 1.00 73.32 H new ATOM 0 HE3 MET A 75 8.374 27.819 -10.886 1.00 73.32 H new ATOM 1221 N GLY A 76 14.763 27.264 -10.254 1.00 35.31 N ATOM 1222 CA GLY A 76 16.205 27.418 -10.230 1.00 23.20 C ATOM 1223 C GLY A 76 16.830 27.239 -11.599 1.00 63.33 C ATOM 1224 O GLY A 76 16.178 27.453 -12.622 1.00 33.45 O ATOM 0 H GLY A 76 14.331 27.413 -11.166 1.00 35.31 H new ATOM 0 HA2 GLY A 76 16.455 28.407 -9.846 1.00 23.20 H new ATOM 0 HA3 GLY A 76 16.634 26.691 -9.540 1.00 23.20 H new ATOM 1228 N THR A 77 18.100 26.846 -11.622 1.00 4.32 N ATOM 1229 CA THR A 77 18.815 26.641 -12.875 1.00 51.54 C ATOM 1230 C THR A 77 19.611 25.342 -12.848 1.00 63.03 C ATOM 1231 O THR A 77 20.055 24.897 -11.790 1.00 5.12 O ATOM 1232 CB THR A 77 19.772 27.811 -13.174 1.00 21.20 C ATOM 1233 OG1 THR A 77 20.642 27.467 -14.258 1.00 50.23 O ATOM 1234 CG2 THR A 77 20.598 28.161 -11.946 1.00 25.13 C ATOM 0 H THR A 77 18.655 26.663 -10.786 1.00 4.32 H new ATOM 0 HA THR A 77 18.063 26.586 -13.662 1.00 51.54 H new ATOM 0 HB THR A 77 19.174 28.680 -13.450 1.00 21.20 H new ATOM 0 HG1 THR A 77 21.246 28.216 -14.443 1.00 50.23 H new ATOM 0 HG21 THR A 77 21.266 28.990 -12.181 1.00 25.13 H new ATOM 0 HG22 THR A 77 19.934 28.450 -11.131 1.00 25.13 H new ATOM 0 HG23 THR A 77 21.187 27.295 -11.644 1.00 25.13 H new