USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 543 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 43 HIS : no HE2:sc= 0.807 K(o=2.6,f=-4!) USER MOD Set 1.2: A 44 SER OG : rot 74:sc= 1.76 USER MOD Set 2.1: A 33 HIS :FLIP no HD1:sc= -0.0106 F(o=-1.2,f=-0.011) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.651 K(o=0.23,f=-3.1) USER MOD Set 3.3: A 34 LYS NZ :NH3+ -151:sc= 0.886 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.142 (180deg=-0.514) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.175 (180deg=-0.00823) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= 1.28 (180deg=0.74) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.1) USER MOD Single : A 13 ASN : amide:sc= 0.884 K(o=0.88,f=-7.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0282) USER MOD Single : A 23 GLN : amide:sc= -1.99! C(o=-2!,f=-8!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0213 F(o=-2.1!,f=-0.021) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.91) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.04 K(o=1,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.334 13.573 4.152 1.00 32.43 N ATOM 2 CA MET A 1 5.624 12.302 4.067 1.00 32.40 C ATOM 3 C MET A 1 4.185 12.520 4.448 1.00 62.34 C ATOM 4 O MET A 1 3.810 13.619 4.861 1.00 24.22 O ATOM 5 CB MET A 1 6.247 11.236 4.998 1.00 42.04 C ATOM 6 CG MET A 1 7.690 10.862 4.684 1.00 31.42 C ATOM 7 SD MET A 1 8.338 9.570 5.787 1.00 12.33 S ATOM 8 CE MET A 1 8.224 10.378 7.388 1.00 42.33 C ATOM 0 H1 MET A 1 6.797 13.773 3.243 1.00 32.43 H new ATOM 0 H2 MET A 1 5.659 14.333 4.372 1.00 32.43 H new ATOM 0 H3 MET A 1 7.052 13.520 4.902 1.00 32.43 H new ATOM 0 HA MET A 1 5.699 11.935 3.043 1.00 32.40 H new ATOM 0 HB2 MET A 1 6.198 11.600 6.024 1.00 42.04 H new ATOM 0 HB3 MET A 1 5.637 10.334 4.951 1.00 42.04 H new ATOM 0 HG2 MET A 1 7.755 10.518 3.652 1.00 31.42 H new ATOM 0 HG3 MET A 1 8.317 11.750 4.765 1.00 31.42 H new ATOM 0 HE1 MET A 1 8.849 9.849 8.108 1.00 42.33 H new ATOM 0 HE2 MET A 1 8.566 11.409 7.300 1.00 42.33 H new ATOM 0 HE3 MET A 1 7.189 10.366 7.728 1.00 42.33 H new ATOM 20 N ALA A 2 3.382 11.506 4.299 1.00 75.22 N ATOM 21 CA ALA A 2 1.998 11.566 4.699 1.00 50.33 C ATOM 22 C ALA A 2 1.718 10.379 5.586 1.00 71.51 C ATOM 23 O ALA A 2 2.146 9.273 5.279 1.00 3.31 O ATOM 24 CB ALA A 2 1.092 11.569 3.480 1.00 0.24 C ATOM 0 H ALA A 2 3.664 10.612 3.897 1.00 75.22 H new ATOM 0 HA ALA A 2 1.800 12.487 5.247 1.00 50.33 H new ATOM 0 HB1 ALA A 2 0.051 11.615 3.800 1.00 0.24 H new ATOM 0 HB2 ALA A 2 1.319 12.436 2.860 1.00 0.24 H new ATOM 0 HB3 ALA A 2 1.255 10.658 2.904 1.00 0.24 H new ATOM 30 N THR A 3 1.038 10.598 6.679 1.00 64.41 N ATOM 31 CA THR A 3 0.779 9.551 7.639 1.00 63.10 C ATOM 32 C THR A 3 -0.711 9.277 7.772 1.00 23.21 C ATOM 33 O THR A 3 -1.512 10.206 7.753 1.00 75.32 O ATOM 34 CB THR A 3 1.370 9.923 9.013 1.00 35.10 C ATOM 35 OG1 THR A 3 0.899 11.227 9.413 1.00 4.40 O ATOM 36 CG2 THR A 3 2.889 9.920 8.971 1.00 3.23 C ATOM 0 H THR A 3 0.647 11.505 6.932 1.00 64.41 H new ATOM 0 HA THR A 3 1.261 8.643 7.276 1.00 63.10 H new ATOM 0 HB THR A 3 1.043 9.177 9.738 1.00 35.10 H new ATOM 0 HG1 THR A 3 1.277 11.457 10.288 1.00 4.40 H new ATOM 0 HG21 THR A 3 3.281 10.186 9.953 1.00 3.23 H new ATOM 0 HG22 THR A 3 3.243 8.927 8.696 1.00 3.23 H new ATOM 0 HG23 THR A 3 3.234 10.645 8.234 1.00 3.23 H new ATOM 44 N ASN A 4 -1.059 8.002 7.902 1.00 43.21 N ATOM 45 CA ASN A 4 -2.462 7.548 8.029 1.00 11.04 C ATOM 46 C ASN A 4 -3.288 7.932 6.836 1.00 10.52 C ATOM 47 O ASN A 4 -4.038 8.911 6.851 1.00 51.30 O ATOM 48 CB ASN A 4 -3.165 7.969 9.344 1.00 31.13 C ATOM 49 CG ASN A 4 -2.653 7.269 10.595 1.00 34.24 C ATOM 50 OD1 ASN A 4 -1.394 6.913 10.623 1.00 63.32 O flip ATOM 51 ND2 ASN A 4 -3.409 7.050 11.542 1.00 40.40 N flip ATOM 0 H ASN A 4 -0.381 7.240 7.924 1.00 43.21 H new ATOM 0 HA ASN A 4 -2.389 6.461 8.071 1.00 11.04 H new ATOM 0 HB2 ASN A 4 -3.048 9.045 9.473 1.00 31.13 H new ATOM 0 HB3 ASN A 4 -4.233 7.774 9.247 1.00 31.13 H new ATOM 0 HD21 ASN A 4 -4.386 7.339 11.492 1.00 40.40 H new ATOM 0 HD22 ASN A 4 -3.058 6.580 12.376 1.00 40.40 H new ATOM 58 N ILE A 5 -3.091 7.214 5.797 1.00 55.34 N ATOM 59 CA ILE A 5 -3.772 7.408 4.560 1.00 44.31 C ATOM 60 C ILE A 5 -4.787 6.330 4.358 1.00 44.43 C ATOM 61 O ILE A 5 -4.595 5.202 4.798 1.00 52.22 O ATOM 62 CB ILE A 5 -2.771 7.349 3.409 1.00 31.34 C ATOM 63 CG1 ILE A 5 -1.714 8.401 3.615 1.00 5.15 C ATOM 64 CG2 ILE A 5 -3.451 7.486 2.041 1.00 31.43 C ATOM 65 CD1 ILE A 5 -0.742 8.474 2.510 1.00 12.30 C ATOM 0 H ILE A 5 -2.425 6.441 5.776 1.00 55.34 H new ATOM 0 HA ILE A 5 -4.265 8.380 4.583 1.00 44.31 H new ATOM 0 HB ILE A 5 -2.299 6.366 3.410 1.00 31.34 H new ATOM 0 HG12 ILE A 5 -2.195 9.372 3.731 1.00 5.15 H new ATOM 0 HG13 ILE A 5 -1.183 8.195 4.544 1.00 5.15 H new ATOM 0 HG21 ILE A 5 -2.698 7.438 1.254 1.00 31.43 H new ATOM 0 HG22 ILE A 5 -4.167 6.675 1.908 1.00 31.43 H new ATOM 0 HG23 ILE A 5 -3.971 8.442 1.988 1.00 31.43 H new ATOM 0 HD11 ILE A 5 -0.008 9.252 2.722 1.00 12.30 H new ATOM 0 HD12 ILE A 5 -0.235 7.515 2.408 1.00 12.30 H new ATOM 0 HD13 ILE A 5 -1.263 8.710 1.582 1.00 12.30 H new ATOM 77 N VAL A 6 -5.843 6.680 3.696 1.00 44.13 N ATOM 78 CA VAL A 6 -6.863 5.755 3.358 1.00 12.53 C ATOM 79 C VAL A 6 -6.576 5.150 2.012 1.00 61.51 C ATOM 80 O VAL A 6 -6.094 5.827 1.104 1.00 3.12 O ATOM 81 CB VAL A 6 -8.262 6.425 3.307 1.00 34.21 C ATOM 82 CG1 VAL A 6 -8.326 7.562 2.290 1.00 32.53 C ATOM 83 CG2 VAL A 6 -9.361 5.392 3.073 1.00 13.01 C ATOM 0 H VAL A 6 -6.018 7.631 3.373 1.00 44.13 H new ATOM 0 HA VAL A 6 -6.873 4.989 4.133 1.00 12.53 H new ATOM 0 HB VAL A 6 -8.435 6.877 4.284 1.00 34.21 H new ATOM 0 HG11 VAL A 6 -9.325 7.997 2.293 1.00 32.53 H new ATOM 0 HG12 VAL A 6 -7.596 8.327 2.553 1.00 32.53 H new ATOM 0 HG13 VAL A 6 -8.102 7.174 1.296 1.00 32.53 H new ATOM 0 HG21 VAL A 6 -10.329 5.892 3.042 1.00 13.01 H new ATOM 0 HG22 VAL A 6 -9.185 4.882 2.126 1.00 13.01 H new ATOM 0 HG23 VAL A 6 -9.354 4.664 3.884 1.00 13.01 H new ATOM 93 N GLY A 7 -6.804 3.909 1.905 1.00 65.32 N ATOM 94 CA GLY A 7 -6.765 3.289 0.655 1.00 24.24 C ATOM 95 C GLY A 7 -7.362 1.932 0.681 1.00 71.21 C ATOM 96 O GLY A 7 -7.719 1.421 1.722 1.00 13.43 O ATOM 0 H GLY A 7 -7.024 3.291 2.686 1.00 65.32 H new ATOM 0 HA2 GLY A 7 -7.298 3.904 -0.070 1.00 24.24 H new ATOM 0 HA3 GLY A 7 -5.731 3.222 0.317 1.00 24.24 H new ATOM 100 N LYS A 8 -7.513 1.394 -0.455 1.00 23.24 N ATOM 101 CA LYS A 8 -7.968 0.070 -0.639 1.00 20.34 C ATOM 102 C LYS A 8 -6.941 -0.669 -1.455 1.00 72.41 C ATOM 103 O LYS A 8 -6.383 -0.104 -2.408 1.00 44.52 O ATOM 104 CB LYS A 8 -9.330 0.074 -1.338 1.00 0.11 C ATOM 105 CG LYS A 8 -9.848 -1.306 -1.698 1.00 23.33 C ATOM 106 CD LYS A 8 -11.228 -1.246 -2.331 1.00 33.33 C ATOM 107 CE LYS A 8 -12.267 -0.744 -1.345 1.00 61.04 C ATOM 108 NZ LYS A 8 -13.623 -0.728 -1.925 1.00 74.34 N ATOM 0 H LYS A 8 -7.316 1.881 -1.329 1.00 23.24 H new ATOM 0 HA LYS A 8 -8.095 -0.428 0.322 1.00 20.34 H new ATOM 0 HB2 LYS A 8 -10.057 0.565 -0.691 1.00 0.11 H new ATOM 0 HB3 LYS A 8 -9.258 0.671 -2.247 1.00 0.11 H new ATOM 0 HG2 LYS A 8 -9.153 -1.786 -2.387 1.00 23.33 H new ATOM 0 HG3 LYS A 8 -9.886 -1.925 -0.801 1.00 23.33 H new ATOM 0 HD2 LYS A 8 -11.203 -0.590 -3.201 1.00 33.33 H new ATOM 0 HD3 LYS A 8 -11.510 -2.237 -2.687 1.00 33.33 H new ATOM 0 HE2 LYS A 8 -12.260 -1.378 -0.458 1.00 61.04 H new ATOM 0 HE3 LYS A 8 -12.001 0.262 -1.020 1.00 61.04 H new ATOM 0 HZ1 LYS A 8 -14.321 -0.934 -1.182 1.00 74.34 H new ATOM 0 HZ2 LYS A 8 -13.816 0.210 -2.331 1.00 74.34 H new ATOM 0 HZ3 LYS A 8 -13.690 -1.449 -2.672 1.00 74.34 H new ATOM 122 N VAL A 9 -6.655 -1.898 -1.061 1.00 32.31 N ATOM 123 CA VAL A 9 -5.711 -2.725 -1.763 1.00 64.21 C ATOM 124 C VAL A 9 -6.222 -2.942 -3.172 1.00 52.53 C ATOM 125 O VAL A 9 -7.233 -3.627 -3.397 1.00 73.22 O ATOM 126 CB VAL A 9 -5.457 -4.089 -1.042 1.00 43.43 C ATOM 127 CG1 VAL A 9 -4.425 -4.933 -1.796 1.00 11.25 C ATOM 128 CG2 VAL A 9 -4.990 -3.857 0.390 1.00 40.22 C ATOM 0 H VAL A 9 -7.075 -2.343 -0.245 1.00 32.31 H new ATOM 0 HA VAL A 9 -4.748 -2.215 -1.785 1.00 64.21 H new ATOM 0 HB VAL A 9 -6.400 -4.635 -1.026 1.00 43.43 H new ATOM 0 HG11 VAL A 9 -4.271 -5.875 -1.269 1.00 11.25 H new ATOM 0 HG12 VAL A 9 -4.787 -5.136 -2.804 1.00 11.25 H new ATOM 0 HG13 VAL A 9 -3.482 -4.390 -1.852 1.00 11.25 H new ATOM 0 HG21 VAL A 9 -4.818 -4.817 0.877 1.00 40.22 H new ATOM 0 HG22 VAL A 9 -4.063 -3.283 0.382 1.00 40.22 H new ATOM 0 HG23 VAL A 9 -5.754 -3.305 0.937 1.00 40.22 H new ATOM 138 N LYS A 10 -5.548 -2.310 -4.084 1.00 30.25 N ATOM 139 CA LYS A 10 -5.902 -2.288 -5.470 1.00 34.25 C ATOM 140 C LYS A 10 -5.531 -3.613 -6.105 1.00 62.23 C ATOM 141 O LYS A 10 -6.321 -4.195 -6.858 1.00 25.41 O ATOM 142 CB LYS A 10 -5.162 -1.113 -6.076 1.00 24.12 C ATOM 143 CG LYS A 10 -5.375 -0.816 -7.527 1.00 2.25 C ATOM 144 CD LYS A 10 -4.603 0.444 -7.851 1.00 3.15 C ATOM 145 CE LYS A 10 -4.583 0.772 -9.311 1.00 25.35 C ATOM 146 NZ LYS A 10 -5.934 0.926 -9.884 1.00 13.23 N ATOM 0 H LYS A 10 -4.705 -1.776 -3.875 1.00 30.25 H new ATOM 0 HA LYS A 10 -6.972 -2.163 -5.633 1.00 34.25 H new ATOM 0 HB2 LYS A 10 -5.433 -0.221 -5.510 1.00 24.12 H new ATOM 0 HB3 LYS A 10 -4.095 -1.276 -5.923 1.00 24.12 H new ATOM 0 HG2 LYS A 10 -5.030 -1.646 -8.143 1.00 2.25 H new ATOM 0 HG3 LYS A 10 -6.436 -0.681 -7.739 1.00 2.25 H new ATOM 0 HD2 LYS A 10 -5.041 1.280 -7.305 1.00 3.15 H new ATOM 0 HD3 LYS A 10 -3.578 0.334 -7.497 1.00 3.15 H new ATOM 0 HE2 LYS A 10 -4.022 1.694 -9.463 1.00 25.35 H new ATOM 0 HE3 LYS A 10 -4.054 -0.015 -9.848 1.00 25.35 H new ATOM 0 HZ1 LYS A 10 -5.858 1.202 -10.884 1.00 13.23 H new ATOM 0 HZ2 LYS A 10 -6.447 0.024 -9.812 1.00 13.23 H new ATOM 0 HZ3 LYS A 10 -6.451 1.661 -9.361 1.00 13.23 H new ATOM 160 N TRP A 11 -4.340 -4.085 -5.787 1.00 32.14 N ATOM 161 CA TRP A 11 -3.881 -5.405 -6.184 1.00 41.30 C ATOM 162 C TRP A 11 -2.619 -5.747 -5.474 1.00 11.50 C ATOM 163 O TRP A 11 -1.902 -4.863 -5.006 1.00 55.10 O ATOM 164 CB TRP A 11 -3.703 -5.590 -7.710 1.00 74.33 C ATOM 165 CG TRP A 11 -2.677 -4.726 -8.382 1.00 50.24 C ATOM 166 CD1 TRP A 11 -2.841 -3.465 -8.856 1.00 41.22 C ATOM 167 CD2 TRP A 11 -1.331 -5.094 -8.693 1.00 3.54 C ATOM 168 NE1 TRP A 11 -1.680 -3.024 -9.430 1.00 12.14 N ATOM 169 CE2 TRP A 11 -0.738 -4.008 -9.343 1.00 61.32 C ATOM 170 CE3 TRP A 11 -0.578 -6.239 -8.475 1.00 11.23 C ATOM 171 CZ2 TRP A 11 0.583 -4.032 -9.781 1.00 44.41 C ATOM 172 CZ3 TRP A 11 0.732 -6.266 -8.910 1.00 33.32 C ATOM 173 CH2 TRP A 11 1.300 -5.168 -9.554 1.00 73.34 C ATOM 0 H TRP A 11 -3.657 -3.559 -5.241 1.00 32.14 H new ATOM 0 HA TRP A 11 -4.676 -6.092 -5.894 1.00 41.30 H new ATOM 0 HB2 TRP A 11 -3.445 -6.632 -7.898 1.00 74.33 H new ATOM 0 HB3 TRP A 11 -4.665 -5.409 -8.189 1.00 74.33 H new ATOM 0 HD1 TRP A 11 -3.755 -2.893 -8.790 1.00 41.22 H new ATOM 0 HE1 TRP A 11 -1.541 -2.107 -9.855 1.00 12.14 H new ATOM 0 HE3 TRP A 11 -1.009 -7.093 -7.974 1.00 11.23 H new ATOM 0 HZ2 TRP A 11 1.023 -3.182 -10.282 1.00 44.41 H new ATOM 0 HZ3 TRP A 11 1.327 -7.153 -8.749 1.00 33.32 H new ATOM 0 HH2 TRP A 11 2.329 -5.219 -9.879 1.00 73.34 H new ATOM 184 N TYR A 12 -2.353 -7.007 -5.385 1.00 60.53 N ATOM 185 CA TYR A 12 -1.163 -7.503 -4.760 1.00 11.43 C ATOM 186 C TYR A 12 -0.726 -8.768 -5.448 1.00 14.21 C ATOM 187 O TYR A 12 -1.549 -9.647 -5.734 1.00 2.00 O ATOM 188 CB TYR A 12 -1.373 -7.745 -3.248 1.00 44.32 C ATOM 189 CG TYR A 12 -0.172 -8.374 -2.564 1.00 31.34 C ATOM 190 CD1 TYR A 12 0.975 -7.636 -2.303 1.00 4.43 C ATOM 191 CD2 TYR A 12 -0.189 -9.712 -2.192 1.00 53.02 C ATOM 192 CE1 TYR A 12 2.074 -8.219 -1.694 1.00 31.22 C ATOM 193 CE2 TYR A 12 0.898 -10.297 -1.582 1.00 3.21 C ATOM 194 CZ TYR A 12 2.025 -9.554 -1.337 1.00 33.51 C ATOM 195 OH TYR A 12 3.113 -10.153 -0.736 1.00 61.54 O ATOM 0 H TYR A 12 -2.964 -7.738 -5.750 1.00 60.53 H new ATOM 0 HA TYR A 12 -0.381 -6.750 -4.858 1.00 11.43 H new ATOM 0 HB2 TYR A 12 -1.601 -6.795 -2.764 1.00 44.32 H new ATOM 0 HB3 TYR A 12 -2.240 -8.390 -3.108 1.00 44.32 H new ATOM 0 HD1 TYR A 12 1.011 -6.592 -2.579 1.00 4.43 H new ATOM 0 HD2 TYR A 12 -1.071 -10.305 -2.385 1.00 53.02 H new ATOM 0 HE1 TYR A 12 2.962 -7.636 -1.500 1.00 31.22 H new ATOM 0 HE2 TYR A 12 0.864 -11.338 -1.297 1.00 3.21 H new ATOM 0 HH TYR A 12 2.908 -11.093 -0.551 1.00 61.54 H new ATOM 205 N ASN A 13 0.532 -8.848 -5.750 1.00 23.15 N ATOM 206 CA ASN A 13 1.074 -10.017 -6.358 1.00 31.20 C ATOM 207 C ASN A 13 1.880 -10.765 -5.324 1.00 41.12 C ATOM 208 O ASN A 13 2.860 -10.239 -4.794 1.00 61.10 O ATOM 209 CB ASN A 13 1.950 -9.659 -7.542 1.00 62.41 C ATOM 210 CG ASN A 13 2.344 -10.881 -8.321 1.00 22.12 C ATOM 211 OD1 ASN A 13 3.365 -11.500 -8.055 1.00 12.11 O ATOM 212 ND2 ASN A 13 1.536 -11.244 -9.270 1.00 72.13 N ATOM 0 H ASN A 13 1.210 -8.104 -5.581 1.00 23.15 H new ATOM 0 HA ASN A 13 0.260 -10.641 -6.726 1.00 31.20 H new ATOM 0 HB2 ASN A 13 1.418 -8.966 -8.194 1.00 62.41 H new ATOM 0 HB3 ASN A 13 2.845 -9.144 -7.192 1.00 62.41 H new ATOM 0 HD21 ASN A 13 1.743 -12.074 -9.826 1.00 72.13 H new ATOM 0 HD22 ASN A 13 0.695 -10.700 -9.459 1.00 72.13 H new ATOM 219 N SER A 14 1.467 -11.964 -5.032 1.00 2.52 N ATOM 220 CA SER A 14 2.079 -12.772 -4.012 1.00 61.24 C ATOM 221 C SER A 14 3.501 -13.207 -4.415 1.00 33.24 C ATOM 222 O SER A 14 4.386 -13.298 -3.571 1.00 61.13 O ATOM 223 CB SER A 14 1.181 -13.990 -3.720 1.00 22.31 C ATOM 224 OG SER A 14 1.658 -14.760 -2.628 1.00 14.34 O ATOM 0 H SER A 14 0.683 -12.417 -5.502 1.00 2.52 H new ATOM 0 HA SER A 14 2.178 -12.178 -3.103 1.00 61.24 H new ATOM 0 HB2 SER A 14 0.168 -13.649 -3.506 1.00 22.31 H new ATOM 0 HB3 SER A 14 1.125 -14.619 -4.608 1.00 22.31 H new ATOM 0 HG SER A 14 1.058 -15.520 -2.477 1.00 14.34 H new ATOM 230 N THR A 15 3.717 -13.433 -5.689 1.00 71.43 N ATOM 231 CA THR A 15 5.011 -13.875 -6.167 1.00 60.12 C ATOM 232 C THR A 15 6.046 -12.730 -6.141 1.00 62.51 C ATOM 233 O THR A 15 7.142 -12.886 -5.615 1.00 32.32 O ATOM 234 CB THR A 15 4.890 -14.461 -7.584 1.00 24.24 C ATOM 235 OG1 THR A 15 3.890 -15.491 -7.569 1.00 23.54 O ATOM 236 CG2 THR A 15 6.206 -15.068 -8.037 1.00 34.22 C ATOM 0 H THR A 15 3.012 -13.318 -6.418 1.00 71.43 H new ATOM 0 HA THR A 15 5.364 -14.656 -5.494 1.00 60.12 H new ATOM 0 HB THR A 15 4.619 -13.661 -8.273 1.00 24.24 H new ATOM 0 HG1 THR A 15 3.800 -15.873 -8.467 1.00 23.54 H new ATOM 0 HG21 THR A 15 6.092 -15.475 -9.042 1.00 34.22 H new ATOM 0 HG22 THR A 15 6.979 -14.299 -8.042 1.00 34.22 H new ATOM 0 HG23 THR A 15 6.493 -15.866 -7.353 1.00 34.22 H new ATOM 244 N LYS A 16 5.678 -11.584 -6.687 1.00 10.52 N ATOM 245 CA LYS A 16 6.584 -10.437 -6.749 1.00 40.45 C ATOM 246 C LYS A 16 6.604 -9.644 -5.439 1.00 53.14 C ATOM 247 O LYS A 16 7.420 -8.737 -5.268 1.00 3.42 O ATOM 248 CB LYS A 16 6.202 -9.515 -7.908 1.00 24.12 C ATOM 249 CG LYS A 16 6.344 -10.128 -9.291 1.00 61.52 C ATOM 250 CD LYS A 16 5.956 -9.126 -10.374 1.00 62.02 C ATOM 251 CE LYS A 16 6.177 -9.679 -11.780 1.00 33.05 C ATOM 252 NZ LYS A 16 5.359 -10.878 -12.061 1.00 50.25 N ATOM 0 H LYS A 16 4.758 -11.417 -7.096 1.00 10.52 H new ATOM 0 HA LYS A 16 7.587 -10.831 -6.913 1.00 40.45 H new ATOM 0 HB2 LYS A 16 5.169 -9.196 -7.773 1.00 24.12 H new ATOM 0 HB3 LYS A 16 6.821 -8.619 -7.859 1.00 24.12 H new ATOM 0 HG2 LYS A 16 7.372 -10.455 -9.444 1.00 61.52 H new ATOM 0 HG3 LYS A 16 5.713 -11.014 -9.367 1.00 61.52 H new ATOM 0 HD2 LYS A 16 4.908 -8.852 -10.254 1.00 62.02 H new ATOM 0 HD3 LYS A 16 6.540 -8.214 -10.248 1.00 62.02 H new ATOM 0 HE2 LYS A 16 5.942 -8.905 -12.511 1.00 33.05 H new ATOM 0 HE3 LYS A 16 7.231 -9.926 -11.906 1.00 33.05 H new ATOM 0 HZ1 LYS A 16 5.498 -11.170 -13.050 1.00 50.25 H new ATOM 0 HZ2 LYS A 16 5.647 -11.651 -11.428 1.00 50.25 H new ATOM 0 HZ3 LYS A 16 4.355 -10.658 -11.903 1.00 50.25 H new ATOM 266 N ASN A 17 5.697 -9.995 -4.528 1.00 40.12 N ATOM 267 CA ASN A 17 5.607 -9.378 -3.190 1.00 35.21 C ATOM 268 C ASN A 17 5.258 -7.883 -3.238 1.00 75.41 C ATOM 269 O ASN A 17 5.503 -7.159 -2.272 1.00 60.53 O ATOM 270 CB ASN A 17 6.906 -9.585 -2.378 1.00 51.14 C ATOM 271 CG ASN A 17 7.241 -11.036 -2.063 1.00 14.25 C ATOM 272 OD1 ASN A 17 8.401 -11.392 -1.928 1.00 35.54 O ATOM 273 ND2 ASN A 17 6.248 -11.874 -1.914 1.00 44.42 N ATOM 0 H ASN A 17 4.997 -10.719 -4.691 1.00 40.12 H new ATOM 0 HA ASN A 17 4.787 -9.891 -2.688 1.00 35.21 H new ATOM 0 HB2 ASN A 17 7.737 -9.148 -2.932 1.00 51.14 H new ATOM 0 HB3 ASN A 17 6.823 -9.035 -1.441 1.00 51.14 H new ATOM 0 HD21 ASN A 17 6.434 -12.849 -1.680 1.00 44.42 H new ATOM 0 HD22 ASN A 17 5.287 -11.552 -2.032 1.00 44.42 H new ATOM 280 N PHE A 18 4.653 -7.418 -4.319 1.00 25.42 N ATOM 281 CA PHE A 18 4.258 -6.020 -4.374 1.00 13.34 C ATOM 282 C PHE A 18 2.934 -5.865 -5.078 1.00 23.12 C ATOM 283 O PHE A 18 2.382 -6.838 -5.606 1.00 71.11 O ATOM 284 CB PHE A 18 5.339 -5.092 -5.010 1.00 20.35 C ATOM 285 CG PHE A 18 5.614 -5.268 -6.490 1.00 60.20 C ATOM 286 CD1 PHE A 18 4.837 -4.607 -7.435 1.00 34.42 C ATOM 287 CD2 PHE A 18 6.653 -6.056 -6.930 1.00 31.14 C ATOM 288 CE1 PHE A 18 5.092 -4.737 -8.780 1.00 40.12 C ATOM 289 CE2 PHE A 18 6.912 -6.190 -8.281 1.00 53.11 C ATOM 290 CZ PHE A 18 6.130 -5.531 -9.205 1.00 42.10 C ATOM 0 H PHE A 18 4.430 -7.969 -5.148 1.00 25.42 H new ATOM 0 HA PHE A 18 4.151 -5.694 -3.340 1.00 13.34 H new ATOM 0 HB2 PHE A 18 5.038 -4.058 -4.842 1.00 20.35 H new ATOM 0 HB3 PHE A 18 6.274 -5.243 -4.471 1.00 20.35 H new ATOM 0 HD1 PHE A 18 4.020 -3.981 -7.107 1.00 34.42 H new ATOM 0 HD2 PHE A 18 7.272 -6.575 -6.213 1.00 31.14 H new ATOM 0 HE1 PHE A 18 4.478 -4.217 -9.500 1.00 40.12 H new ATOM 0 HE2 PHE A 18 7.729 -6.813 -8.614 1.00 53.11 H new ATOM 0 HZ PHE A 18 6.332 -5.638 -10.260 1.00 42.10 H new ATOM 300 N GLY A 19 2.432 -4.666 -5.080 1.00 43.03 N ATOM 301 CA GLY A 19 1.186 -4.374 -5.724 1.00 21.10 C ATOM 302 C GLY A 19 0.871 -2.914 -5.625 1.00 32.05 C ATOM 303 O GLY A 19 1.771 -2.111 -5.453 1.00 65.12 O ATOM 0 H GLY A 19 2.875 -3.862 -4.635 1.00 43.03 H new ATOM 0 HA2 GLY A 19 1.234 -4.671 -6.772 1.00 21.10 H new ATOM 0 HA3 GLY A 19 0.387 -4.956 -5.264 1.00 21.10 H new ATOM 307 N PHE A 20 -0.384 -2.574 -5.701 1.00 44.41 N ATOM 308 CA PHE A 20 -0.826 -1.195 -5.609 1.00 54.15 C ATOM 309 C PHE A 20 -1.976 -1.036 -4.664 1.00 54.24 C ATOM 310 O PHE A 20 -2.664 -2.007 -4.314 1.00 72.43 O ATOM 311 CB PHE A 20 -1.189 -0.581 -6.962 1.00 11.21 C ATOM 312 CG PHE A 20 -0.035 -0.074 -7.793 1.00 53.32 C ATOM 313 CD1 PHE A 20 0.793 -0.935 -8.483 1.00 22.42 C ATOM 314 CD2 PHE A 20 0.197 1.290 -7.896 1.00 11.41 C ATOM 315 CE1 PHE A 20 1.832 -0.454 -9.255 1.00 52.05 C ATOM 316 CE2 PHE A 20 1.235 1.778 -8.662 1.00 13.34 C ATOM 317 CZ PHE A 20 2.052 0.903 -9.344 1.00 20.44 C ATOM 0 H PHE A 20 -1.142 -3.245 -5.829 1.00 44.41 H new ATOM 0 HA PHE A 20 0.035 -0.651 -5.220 1.00 54.15 H new ATOM 0 HB2 PHE A 20 -1.729 -1.328 -7.544 1.00 11.21 H new ATOM 0 HB3 PHE A 20 -1.877 0.247 -6.790 1.00 11.21 H new ATOM 0 HD1 PHE A 20 0.626 -2.000 -8.419 1.00 22.42 H new ATOM 0 HD2 PHE A 20 -0.445 1.980 -7.368 1.00 11.41 H new ATOM 0 HE1 PHE A 20 2.472 -1.141 -9.789 1.00 52.05 H new ATOM 0 HE2 PHE A 20 1.407 2.842 -8.727 1.00 13.34 H new ATOM 0 HZ PHE A 20 2.864 1.281 -9.948 1.00 20.44 H new ATOM 327 N ILE A 21 -2.198 0.192 -4.281 1.00 73.22 N ATOM 328 CA ILE A 21 -3.230 0.588 -3.368 1.00 35.03 C ATOM 329 C ILE A 21 -3.715 1.958 -3.809 1.00 14.10 C ATOM 330 O ILE A 21 -2.918 2.783 -4.241 1.00 53.20 O ATOM 331 CB ILE A 21 -2.685 0.709 -1.897 1.00 73.12 C ATOM 332 CG1 ILE A 21 -2.066 -0.610 -1.424 1.00 12.10 C ATOM 333 CG2 ILE A 21 -3.793 1.138 -0.947 1.00 62.22 C ATOM 334 CD1 ILE A 21 -1.490 -0.557 -0.022 1.00 24.50 C ATOM 0 H ILE A 21 -1.638 0.977 -4.613 1.00 73.22 H new ATOM 0 HA ILE A 21 -4.024 -0.159 -3.376 1.00 35.03 H new ATOM 0 HB ILE A 21 -1.906 1.471 -1.895 1.00 73.12 H new ATOM 0 HG12 ILE A 21 -2.826 -1.390 -1.464 1.00 12.10 H new ATOM 0 HG13 ILE A 21 -1.277 -0.898 -2.119 1.00 12.10 H new ATOM 0 HG21 ILE A 21 -3.395 1.216 0.065 1.00 62.22 H new ATOM 0 HG22 ILE A 21 -4.184 2.106 -1.258 1.00 62.22 H new ATOM 0 HG23 ILE A 21 -4.595 0.400 -0.966 1.00 62.22 H new ATOM 0 HD11 ILE A 21 -1.072 -1.530 0.237 1.00 24.50 H new ATOM 0 HD12 ILE A 21 -0.705 0.198 0.021 1.00 24.50 H new ATOM 0 HD13 ILE A 21 -2.278 -0.301 0.686 1.00 24.50 H new ATOM 346 N GLU A 22 -4.991 2.170 -3.776 1.00 43.54 N ATOM 347 CA GLU A 22 -5.547 3.471 -4.047 1.00 53.13 C ATOM 348 C GLU A 22 -6.725 3.632 -3.145 1.00 70.23 C ATOM 349 O GLU A 22 -7.356 2.636 -2.798 1.00 63.13 O ATOM 350 CB GLU A 22 -6.012 3.618 -5.518 1.00 41.34 C ATOM 351 CG GLU A 22 -7.210 2.746 -5.895 1.00 40.32 C ATOM 352 CD GLU A 22 -7.706 2.998 -7.299 1.00 55.42 C ATOM 353 OE1 GLU A 22 -8.352 4.043 -7.540 1.00 74.14 O ATOM 354 OE2 GLU A 22 -7.457 2.175 -8.187 1.00 23.25 O ATOM 0 H GLU A 22 -5.683 1.452 -3.561 1.00 43.54 H new ATOM 0 HA GLU A 22 -4.784 4.231 -3.877 1.00 53.13 H new ATOM 0 HB2 GLU A 22 -6.266 4.662 -5.703 1.00 41.34 H new ATOM 0 HB3 GLU A 22 -5.178 3.372 -6.176 1.00 41.34 H new ATOM 0 HG2 GLU A 22 -6.933 1.696 -5.796 1.00 40.32 H new ATOM 0 HG3 GLU A 22 -8.021 2.929 -5.191 1.00 40.32 H new ATOM 361 N GLN A 23 -7.029 4.819 -2.720 1.00 21.43 N ATOM 362 CA GLN A 23 -8.255 4.968 -2.004 1.00 54.30 C ATOM 363 C GLN A 23 -9.393 4.850 -2.927 1.00 52.05 C ATOM 364 O GLN A 23 -9.293 5.231 -4.095 1.00 2.31 O ATOM 365 CB GLN A 23 -8.369 6.155 -1.052 1.00 22.34 C ATOM 366 CG GLN A 23 -8.002 7.498 -1.599 1.00 61.23 C ATOM 367 CD GLN A 23 -6.503 7.693 -1.717 1.00 3.50 C ATOM 368 OE1 GLN A 23 -5.893 7.403 -2.753 1.00 50.25 O ATOM 369 NE2 GLN A 23 -5.896 8.130 -0.647 1.00 63.22 N ATOM 0 H GLN A 23 -6.473 5.664 -2.848 1.00 21.43 H new ATOM 0 HA GLN A 23 -8.269 4.138 -1.297 1.00 54.30 H new ATOM 0 HB2 GLN A 23 -9.397 6.204 -0.693 1.00 22.34 H new ATOM 0 HB3 GLN A 23 -7.738 5.957 -0.186 1.00 22.34 H new ATOM 0 HG2 GLN A 23 -8.459 7.623 -2.581 1.00 61.23 H new ATOM 0 HG3 GLN A 23 -8.415 8.274 -0.954 1.00 61.23 H new ATOM 0 HE21 GLN A 23 -6.435 8.358 0.188 1.00 63.22 H new ATOM 0 HE22 GLN A 23 -4.882 8.243 -0.646 1.00 63.22 H new ATOM 378 N ASP A 24 -10.463 4.319 -2.402 1.00 72.43 N ATOM 379 CA ASP A 24 -11.666 3.937 -3.188 1.00 73.04 C ATOM 380 C ASP A 24 -12.136 5.055 -4.114 1.00 20.20 C ATOM 381 O ASP A 24 -12.584 4.804 -5.230 1.00 55.33 O ATOM 382 CB ASP A 24 -12.801 3.525 -2.256 1.00 2.34 C ATOM 383 CG ASP A 24 -13.997 2.958 -2.997 1.00 43.11 C ATOM 384 OD1 ASP A 24 -14.866 3.736 -3.445 1.00 41.32 O ATOM 385 OD2 ASP A 24 -14.089 1.713 -3.129 1.00 74.44 O ATOM 0 H ASP A 24 -10.553 4.126 -1.405 1.00 72.43 H new ATOM 0 HA ASP A 24 -11.380 3.092 -3.814 1.00 73.04 H new ATOM 0 HB2 ASP A 24 -12.432 2.782 -1.549 1.00 2.34 H new ATOM 0 HB3 ASP A 24 -13.118 4.390 -1.673 1.00 2.34 H new ATOM 390 N ASN A 25 -11.989 6.276 -3.656 1.00 12.03 N ATOM 391 CA ASN A 25 -12.388 7.468 -4.403 1.00 2.45 C ATOM 392 C ASN A 25 -11.497 7.750 -5.632 1.00 4.24 C ATOM 393 O ASN A 25 -11.734 8.713 -6.362 1.00 12.21 O ATOM 394 CB ASN A 25 -12.409 8.685 -3.478 1.00 4.13 C ATOM 395 CG ASN A 25 -13.369 8.507 -2.326 1.00 60.30 C ATOM 396 OD1 ASN A 25 -12.998 8.021 -1.263 1.00 32.24 O ATOM 397 ND2 ASN A 25 -14.595 8.862 -2.535 1.00 74.01 N ATOM 0 H ASN A 25 -11.584 6.483 -2.743 1.00 12.03 H new ATOM 0 HA ASN A 25 -13.389 7.272 -4.786 1.00 2.45 H new ATOM 0 HB2 ASN A 25 -11.406 8.862 -3.089 1.00 4.13 H new ATOM 0 HB3 ASN A 25 -12.690 9.570 -4.050 1.00 4.13 H new ATOM 0 HD21 ASN A 25 -15.293 8.741 -1.801 1.00 74.01 H new ATOM 0 HD22 ASN A 25 -14.864 9.263 -3.434 1.00 74.01 H new ATOM 404 N GLY A 26 -10.488 6.922 -5.864 1.00 33.13 N ATOM 405 CA GLY A 26 -9.637 7.113 -7.020 1.00 54.30 C ATOM 406 C GLY A 26 -8.567 8.120 -6.740 1.00 31.35 C ATOM 407 O GLY A 26 -8.408 9.089 -7.484 1.00 42.15 O ATOM 0 H GLY A 26 -10.245 6.125 -5.275 1.00 33.13 H new ATOM 0 HA2 GLY A 26 -9.182 6.163 -7.302 1.00 54.30 H new ATOM 0 HA3 GLY A 26 -10.238 7.442 -7.868 1.00 54.30 H new ATOM 411 N GLY A 27 -7.859 7.920 -5.653 1.00 14.25 N ATOM 412 CA GLY A 27 -6.848 8.869 -5.237 1.00 74.52 C ATOM 413 C GLY A 27 -5.566 8.818 -6.053 1.00 73.04 C ATOM 414 O GLY A 27 -5.544 9.196 -7.231 1.00 3.32 O ATOM 0 H GLY A 27 -7.963 7.111 -5.041 1.00 14.25 H new ATOM 0 HA2 GLY A 27 -7.264 9.875 -5.298 1.00 74.52 H new ATOM 0 HA3 GLY A 27 -6.605 8.688 -4.190 1.00 74.52 H new ATOM 418 N LYS A 28 -4.504 8.357 -5.441 1.00 31.02 N ATOM 419 CA LYS A 28 -3.191 8.354 -6.073 1.00 51.41 C ATOM 420 C LYS A 28 -2.788 6.969 -6.546 1.00 23.35 C ATOM 421 O LYS A 28 -3.497 5.985 -6.310 1.00 44.32 O ATOM 422 CB LYS A 28 -2.139 8.878 -5.094 1.00 62.24 C ATOM 423 CG LYS A 28 -2.351 10.316 -4.662 1.00 64.42 C ATOM 424 CD LYS A 28 -1.224 10.779 -3.766 1.00 61.51 C ATOM 425 CE LYS A 28 -1.410 12.226 -3.343 1.00 44.21 C ATOM 426 NZ LYS A 28 -0.320 12.696 -2.464 1.00 62.44 N ATOM 0 H LYS A 28 -4.515 7.973 -4.496 1.00 31.02 H new ATOM 0 HA LYS A 28 -3.251 9.004 -6.946 1.00 51.41 H new ATOM 0 HB2 LYS A 28 -2.134 8.242 -4.209 1.00 62.24 H new ATOM 0 HB3 LYS A 28 -1.155 8.790 -5.555 1.00 62.24 H new ATOM 0 HG2 LYS A 28 -2.411 10.959 -5.540 1.00 64.42 H new ATOM 0 HG3 LYS A 28 -3.301 10.406 -4.135 1.00 64.42 H new ATOM 0 HD2 LYS A 28 -1.176 10.143 -2.882 1.00 61.51 H new ATOM 0 HD3 LYS A 28 -0.274 10.671 -4.289 1.00 61.51 H new ATOM 0 HE2 LYS A 28 -1.458 12.858 -4.230 1.00 44.21 H new ATOM 0 HE3 LYS A 28 -2.363 12.331 -2.825 1.00 44.21 H new ATOM 0 HZ1 LYS A 28 -0.489 13.688 -2.201 1.00 62.44 H new ATOM 0 HZ2 LYS A 28 -0.290 12.110 -1.605 1.00 62.44 H new ATOM 0 HZ3 LYS A 28 0.588 12.621 -2.966 1.00 62.44 H new ATOM 440 N ASP A 29 -1.661 6.895 -7.230 1.00 14.11 N ATOM 441 CA ASP A 29 -1.091 5.619 -7.613 1.00 41.30 C ATOM 442 C ASP A 29 0.035 5.314 -6.690 1.00 20.14 C ATOM 443 O ASP A 29 1.164 5.773 -6.893 1.00 54.31 O ATOM 444 CB ASP A 29 -0.570 5.574 -9.060 1.00 43.10 C ATOM 445 CG ASP A 29 -1.626 5.726 -10.110 1.00 64.32 C ATOM 446 OD1 ASP A 29 -2.425 4.790 -10.310 1.00 43.14 O ATOM 447 OD2 ASP A 29 -1.649 6.763 -10.797 1.00 63.04 O ATOM 0 H ASP A 29 -1.122 7.707 -7.532 1.00 14.11 H new ATOM 0 HA ASP A 29 -1.892 4.882 -7.550 1.00 41.30 H new ATOM 0 HB2 ASP A 29 0.169 6.364 -9.190 1.00 43.10 H new ATOM 0 HB3 ASP A 29 -0.055 4.626 -9.217 1.00 43.10 H new ATOM 452 N VAL A 30 -0.256 4.610 -5.657 1.00 23.25 N ATOM 453 CA VAL A 30 0.743 4.269 -4.711 1.00 2.13 C ATOM 454 C VAL A 30 0.939 2.766 -4.659 1.00 73.21 C ATOM 455 O VAL A 30 -0.017 2.005 -4.478 1.00 63.14 O ATOM 456 CB VAL A 30 0.480 4.916 -3.304 1.00 71.33 C ATOM 457 CG1 VAL A 30 -0.874 4.605 -2.752 1.00 72.43 C ATOM 458 CG2 VAL A 30 1.498 4.479 -2.322 1.00 52.34 C ATOM 0 H VAL A 30 -1.188 4.255 -5.444 1.00 23.25 H new ATOM 0 HA VAL A 30 1.687 4.699 -5.045 1.00 2.13 H new ATOM 0 HB VAL A 30 0.540 5.992 -3.465 1.00 71.33 H new ATOM 0 HG11 VAL A 30 -0.989 5.083 -1.779 1.00 72.43 H new ATOM 0 HG12 VAL A 30 -1.639 4.979 -3.432 1.00 72.43 H new ATOM 0 HG13 VAL A 30 -0.983 3.526 -2.642 1.00 72.43 H new ATOM 0 HG21 VAL A 30 1.294 4.941 -1.356 1.00 52.34 H new ATOM 0 HG22 VAL A 30 1.463 3.394 -2.220 1.00 52.34 H new ATOM 0 HG23 VAL A 30 2.488 4.780 -2.666 1.00 52.34 H new ATOM 468 N PHE A 31 2.164 2.337 -4.866 1.00 30.20 N ATOM 469 CA PHE A 31 2.451 0.937 -4.874 1.00 35.14 C ATOM 470 C PHE A 31 2.832 0.479 -3.498 1.00 23.10 C ATOM 471 O PHE A 31 3.376 1.240 -2.710 1.00 24.41 O ATOM 472 CB PHE A 31 3.524 0.544 -5.931 1.00 21.23 C ATOM 473 CG PHE A 31 4.925 1.078 -5.729 1.00 72.03 C ATOM 474 CD1 PHE A 31 5.290 2.319 -6.212 1.00 22.23 C ATOM 475 CD2 PHE A 31 5.882 0.314 -5.074 1.00 71.02 C ATOM 476 CE1 PHE A 31 6.577 2.796 -6.042 1.00 34.31 C ATOM 477 CE2 PHE A 31 7.168 0.781 -4.905 1.00 60.32 C ATOM 478 CZ PHE A 31 7.517 2.027 -5.390 1.00 53.43 C ATOM 0 H PHE A 31 2.969 2.942 -5.030 1.00 30.20 H new ATOM 0 HA PHE A 31 1.540 0.420 -5.174 1.00 35.14 H new ATOM 0 HB2 PHE A 31 3.580 -0.544 -5.967 1.00 21.23 H new ATOM 0 HB3 PHE A 31 3.173 0.878 -6.908 1.00 21.23 H new ATOM 0 HD1 PHE A 31 4.561 2.925 -6.729 1.00 22.23 H new ATOM 0 HD2 PHE A 31 5.615 -0.660 -4.692 1.00 71.02 H new ATOM 0 HE1 PHE A 31 6.846 3.771 -6.420 1.00 34.31 H new ATOM 0 HE2 PHE A 31 7.901 0.174 -4.395 1.00 60.32 H new ATOM 0 HZ PHE A 31 8.523 2.397 -5.259 1.00 53.43 H new ATOM 488 N VAL A 32 2.531 -0.731 -3.194 1.00 24.31 N ATOM 489 CA VAL A 32 2.857 -1.272 -1.919 1.00 42.52 C ATOM 490 C VAL A 32 3.989 -2.256 -2.069 1.00 40.25 C ATOM 491 O VAL A 32 3.988 -3.090 -2.980 1.00 71.31 O ATOM 492 CB VAL A 32 1.625 -1.937 -1.214 1.00 4.21 C ATOM 493 CG1 VAL A 32 1.037 -3.089 -2.025 1.00 71.51 C ATOM 494 CG2 VAL A 32 1.979 -2.395 0.195 1.00 42.31 C ATOM 0 H VAL A 32 2.051 -1.377 -3.820 1.00 24.31 H new ATOM 0 HA VAL A 32 3.169 -0.450 -1.275 1.00 42.52 H new ATOM 0 HB VAL A 32 0.854 -1.169 -1.146 1.00 4.21 H new ATOM 0 HG11 VAL A 32 0.187 -3.513 -1.491 1.00 71.51 H new ATOM 0 HG12 VAL A 32 0.708 -2.719 -2.996 1.00 71.51 H new ATOM 0 HG13 VAL A 32 1.796 -3.858 -2.168 1.00 71.51 H new ATOM 0 HG21 VAL A 32 1.105 -2.852 0.659 1.00 42.31 H new ATOM 0 HG22 VAL A 32 2.788 -3.124 0.148 1.00 42.31 H new ATOM 0 HG23 VAL A 32 2.297 -1.537 0.787 1.00 42.31 H new ATOM 504 N HIS A 33 4.969 -2.132 -1.230 1.00 24.14 N ATOM 505 CA HIS A 33 6.070 -3.032 -1.239 1.00 1.44 C ATOM 506 C HIS A 33 6.016 -3.856 0.037 1.00 24.43 C ATOM 507 O HIS A 33 5.621 -3.346 1.090 1.00 12.21 O ATOM 508 CB HIS A 33 7.388 -2.270 -1.383 1.00 34.55 C ATOM 509 CG HIS A 33 8.550 -3.176 -1.499 1.00 70.14 C ATOM 510 ND1 HIS A 33 9.561 -3.413 -0.672 1.00 13.13 N flip ATOM 511 CD2 HIS A 33 8.692 -4.057 -2.525 1.00 33.21 C flip ATOM 512 CE1 HIS A 33 10.281 -4.429 -1.194 1.00 71.13 C flip ATOM 513 NE2 HIS A 33 9.728 -4.803 -2.308 1.00 12.34 N flip ATOM 0 H HIS A 33 5.025 -1.402 -0.520 1.00 24.14 H new ATOM 0 HA HIS A 33 6.011 -3.703 -2.096 1.00 1.44 H new ATOM 0 HB2 HIS A 33 7.340 -1.629 -2.264 1.00 34.55 H new ATOM 0 HB3 HIS A 33 7.524 -1.617 -0.521 1.00 34.55 H new ATOM 0 HD2 HIS A 33 8.043 -4.124 -3.386 1.00 33.21 H new ATOM 0 HE1 HIS A 33 11.170 -4.860 -0.757 1.00 71.13 H new ATOM 0 HE2 HIS A 33 10.055 -5.558 -2.911 1.00 12.34 H new ATOM 522 N LYS A 34 6.414 -5.111 -0.050 1.00 2.20 N ATOM 523 CA LYS A 34 6.268 -6.045 1.053 1.00 63.14 C ATOM 524 C LYS A 34 7.059 -5.639 2.291 1.00 52.31 C ATOM 525 O LYS A 34 6.725 -6.051 3.395 1.00 12.40 O ATOM 526 CB LYS A 34 6.635 -7.432 0.626 1.00 60.44 C ATOM 527 CG LYS A 34 6.175 -8.469 1.598 1.00 72.20 C ATOM 528 CD LYS A 34 6.582 -9.829 1.176 1.00 75.31 C ATOM 529 CE LYS A 34 8.082 -10.055 1.334 1.00 71.12 C ATOM 530 NZ LYS A 34 8.490 -11.418 0.927 1.00 42.41 N ATOM 0 H LYS A 34 6.846 -5.512 -0.883 1.00 2.20 H new ATOM 0 HA LYS A 34 5.216 -6.024 1.336 1.00 63.14 H new ATOM 0 HB2 LYS A 34 6.198 -7.636 -0.352 1.00 60.44 H new ATOM 0 HB3 LYS A 34 7.717 -7.500 0.512 1.00 60.44 H new ATOM 0 HG2 LYS A 34 6.588 -8.254 2.583 1.00 72.20 H new ATOM 0 HG3 LYS A 34 5.090 -8.426 1.691 1.00 72.20 H new ATOM 0 HD2 LYS A 34 6.041 -10.568 1.766 1.00 75.31 H new ATOM 0 HD3 LYS A 34 6.300 -9.984 0.135 1.00 75.31 H new ATOM 0 HE2 LYS A 34 8.623 -9.322 0.735 1.00 71.12 H new ATOM 0 HE3 LYS A 34 8.365 -9.889 2.373 1.00 71.12 H new ATOM 0 HZ1 LYS A 34 9.330 -11.705 1.469 1.00 42.41 H new ATOM 0 HZ2 LYS A 34 7.713 -12.083 1.115 1.00 42.41 H new ATOM 0 HZ3 LYS A 34 8.714 -11.425 -0.089 1.00 42.41 H new ATOM 544 N SER A 35 8.100 -4.830 2.114 1.00 64.43 N ATOM 545 CA SER A 35 8.859 -4.307 3.259 1.00 43.42 C ATOM 546 C SER A 35 7.948 -3.595 4.286 1.00 2.14 C ATOM 547 O SER A 35 8.286 -3.504 5.461 1.00 21.45 O ATOM 548 CB SER A 35 9.968 -3.381 2.793 1.00 24.43 C ATOM 549 OG SER A 35 10.839 -4.066 1.909 1.00 3.34 O ATOM 0 H SER A 35 8.439 -4.522 1.202 1.00 64.43 H new ATOM 0 HA SER A 35 9.308 -5.162 3.764 1.00 43.42 H new ATOM 0 HB2 SER A 35 9.540 -2.512 2.293 1.00 24.43 H new ATOM 0 HB3 SER A 35 10.527 -3.011 3.652 1.00 24.43 H new ATOM 0 HG SER A 35 11.549 -3.459 1.614 1.00 3.34 H new ATOM 555 N ALA A 36 6.787 -3.107 3.841 1.00 1.04 N ATOM 556 CA ALA A 36 5.839 -2.499 4.747 1.00 11.33 C ATOM 557 C ALA A 36 5.181 -3.555 5.623 1.00 1.04 C ATOM 558 O ALA A 36 4.958 -3.335 6.815 1.00 1.42 O ATOM 559 CB ALA A 36 4.799 -1.744 3.999 1.00 52.10 C ATOM 0 H ALA A 36 6.492 -3.126 2.865 1.00 1.04 H new ATOM 0 HA ALA A 36 6.385 -1.802 5.383 1.00 11.33 H new ATOM 0 HB1 ALA A 36 4.098 -1.296 4.703 1.00 52.10 H new ATOM 0 HB2 ALA A 36 5.273 -0.959 3.409 1.00 52.10 H new ATOM 0 HB3 ALA A 36 4.263 -2.423 3.336 1.00 52.10 H new ATOM 565 N VAL A 37 4.874 -4.714 5.030 1.00 2.50 N ATOM 566 CA VAL A 37 4.311 -5.824 5.793 1.00 44.31 C ATOM 567 C VAL A 37 5.389 -6.354 6.701 1.00 34.11 C ATOM 568 O VAL A 37 5.145 -6.726 7.809 1.00 52.31 O ATOM 569 CB VAL A 37 3.816 -7.001 4.899 1.00 73.34 C ATOM 570 CG1 VAL A 37 3.245 -8.125 5.779 1.00 65.14 C ATOM 571 CG2 VAL A 37 2.767 -6.512 3.908 1.00 72.33 C ATOM 0 H VAL A 37 5.005 -4.903 4.036 1.00 2.50 H new ATOM 0 HA VAL A 37 3.447 -5.442 6.337 1.00 44.31 H new ATOM 0 HB VAL A 37 4.662 -7.394 4.335 1.00 73.34 H new ATOM 0 HG11 VAL A 37 2.901 -8.943 5.146 1.00 65.14 H new ATOM 0 HG12 VAL A 37 4.020 -8.489 6.453 1.00 65.14 H new ATOM 0 HG13 VAL A 37 2.408 -7.741 6.362 1.00 65.14 H new ATOM 0 HG21 VAL A 37 2.432 -7.346 3.292 1.00 72.33 H new ATOM 0 HG22 VAL A 37 1.918 -6.099 4.452 1.00 72.33 H new ATOM 0 HG23 VAL A 37 3.200 -5.741 3.271 1.00 72.33 H new ATOM 581 N ASP A 38 6.584 -6.346 6.198 1.00 62.10 N ATOM 582 CA ASP A 38 7.747 -6.796 6.934 1.00 33.10 C ATOM 583 C ASP A 38 8.022 -5.881 8.134 1.00 75.43 C ATOM 584 O ASP A 38 8.550 -6.321 9.153 1.00 61.33 O ATOM 585 CB ASP A 38 8.949 -6.844 5.990 1.00 4.41 C ATOM 586 CG ASP A 38 10.237 -7.271 6.648 1.00 72.13 C ATOM 587 OD1 ASP A 38 10.443 -8.486 6.859 1.00 54.02 O ATOM 588 OD2 ASP A 38 11.091 -6.407 6.905 1.00 65.53 O ATOM 0 H ASP A 38 6.793 -6.024 5.253 1.00 62.10 H new ATOM 0 HA ASP A 38 7.562 -7.796 7.326 1.00 33.10 H new ATOM 0 HB2 ASP A 38 8.727 -7.530 5.173 1.00 4.41 H new ATOM 0 HB3 ASP A 38 9.090 -5.857 5.549 1.00 4.41 H new ATOM 593 N ALA A 39 7.651 -4.605 8.008 1.00 74.15 N ATOM 594 CA ALA A 39 7.844 -3.652 9.094 1.00 51.33 C ATOM 595 C ALA A 39 6.684 -3.657 10.094 1.00 51.21 C ATOM 596 O ALA A 39 6.895 -3.694 11.306 1.00 43.14 O ATOM 597 CB ALA A 39 8.053 -2.252 8.552 1.00 11.53 C ATOM 0 H ALA A 39 7.219 -4.214 7.171 1.00 74.15 H new ATOM 0 HA ALA A 39 8.739 -3.969 9.629 1.00 51.33 H new ATOM 0 HB1 ALA A 39 8.195 -1.558 9.381 1.00 11.53 H new ATOM 0 HB2 ALA A 39 8.935 -2.238 7.912 1.00 11.53 H new ATOM 0 HB3 ALA A 39 7.180 -1.952 7.973 1.00 11.53 H new ATOM 603 N ALA A 40 5.462 -3.607 9.586 1.00 64.23 N ATOM 604 CA ALA A 40 4.282 -3.486 10.450 1.00 45.32 C ATOM 605 C ALA A 40 3.621 -4.830 10.750 1.00 33.25 C ATOM 606 O ALA A 40 2.742 -4.911 11.606 1.00 33.31 O ATOM 607 CB ALA A 40 3.274 -2.530 9.829 1.00 41.40 C ATOM 0 H ALA A 40 5.255 -3.647 8.588 1.00 64.23 H new ATOM 0 HA ALA A 40 4.629 -3.088 11.404 1.00 45.32 H new ATOM 0 HB1 ALA A 40 2.403 -2.448 10.479 1.00 41.40 H new ATOM 0 HB2 ALA A 40 3.731 -1.548 9.708 1.00 41.40 H new ATOM 0 HB3 ALA A 40 2.966 -2.909 8.855 1.00 41.40 H new ATOM 613 N GLY A 41 4.053 -5.859 10.055 1.00 50.15 N ATOM 614 CA GLY A 41 3.486 -7.197 10.202 1.00 12.01 C ATOM 615 C GLY A 41 2.027 -7.234 9.866 1.00 74.43 C ATOM 616 O GLY A 41 1.195 -7.660 10.673 1.00 10.03 O ATOM 0 H GLY A 41 4.807 -5.800 9.370 1.00 50.15 H new ATOM 0 HA2 GLY A 41 4.024 -7.890 9.555 1.00 12.01 H new ATOM 0 HA3 GLY A 41 3.630 -7.540 11.227 1.00 12.01 H new ATOM 620 N LEU A 42 1.720 -6.789 8.678 1.00 52.10 N ATOM 621 CA LEU A 42 0.375 -6.725 8.195 1.00 3.22 C ATOM 622 C LEU A 42 -0.125 -8.162 7.970 1.00 13.10 C ATOM 623 O LEU A 42 0.640 -9.022 7.529 1.00 60.24 O ATOM 624 CB LEU A 42 0.388 -5.899 6.892 1.00 24.14 C ATOM 625 CG LEU A 42 -0.929 -5.292 6.392 1.00 13.10 C ATOM 626 CD1 LEU A 42 -1.938 -6.326 5.972 1.00 73.40 C ATOM 627 CD2 LEU A 42 -1.507 -4.392 7.447 1.00 64.33 C ATOM 0 H LEU A 42 2.414 -6.455 8.009 1.00 52.10 H new ATOM 0 HA LEU A 42 -0.301 -6.244 8.903 1.00 3.22 H new ATOM 0 HB2 LEU A 42 1.099 -5.083 7.025 1.00 24.14 H new ATOM 0 HB3 LEU A 42 0.780 -6.537 6.100 1.00 24.14 H new ATOM 0 HG LEU A 42 -0.694 -4.714 5.498 1.00 13.10 H new ATOM 0 HD11 LEU A 42 -2.846 -5.830 5.629 1.00 73.40 H new ATOM 0 HD12 LEU A 42 -1.526 -6.929 5.163 1.00 73.40 H new ATOM 0 HD13 LEU A 42 -2.174 -6.969 6.820 1.00 73.40 H new ATOM 0 HD21 LEU A 42 -2.442 -3.963 7.087 1.00 64.33 H new ATOM 0 HD22 LEU A 42 -1.697 -4.968 8.353 1.00 64.33 H new ATOM 0 HD23 LEU A 42 -0.802 -3.591 7.668 1.00 64.33 H new ATOM 639 N HIS A 43 -1.389 -8.399 8.295 1.00 72.33 N ATOM 640 CA HIS A 43 -2.027 -9.721 8.196 1.00 41.22 C ATOM 641 C HIS A 43 -1.838 -10.360 6.806 1.00 25.44 C ATOM 642 O HIS A 43 -1.253 -11.435 6.684 1.00 34.21 O ATOM 643 CB HIS A 43 -3.526 -9.584 8.512 1.00 61.32 C ATOM 644 CG HIS A 43 -4.305 -10.868 8.513 1.00 13.44 C ATOM 645 ND1 HIS A 43 -4.973 -11.347 7.410 1.00 4.30 N ATOM 646 CD2 HIS A 43 -4.552 -11.751 9.506 1.00 45.34 C ATOM 647 CE1 HIS A 43 -5.592 -12.455 7.721 1.00 3.01 C ATOM 648 NE2 HIS A 43 -5.357 -12.726 8.986 1.00 14.03 N ATOM 0 H HIS A 43 -2.016 -7.673 8.641 1.00 72.33 H new ATOM 0 HA HIS A 43 -1.546 -10.380 8.919 1.00 41.22 H new ATOM 0 HB2 HIS A 43 -3.632 -9.114 9.490 1.00 61.32 H new ATOM 0 HB3 HIS A 43 -3.973 -8.908 7.783 1.00 61.32 H new ATOM 0 HD1 HIS A 43 -4.984 -10.905 6.491 1.00 4.30 H new ATOM 0 HD2 HIS A 43 -4.183 -11.697 10.520 1.00 45.34 H new ATOM 0 HE1 HIS A 43 -6.196 -13.049 7.051 1.00 3.01 H new ATOM 657 N SER A 44 -2.335 -9.697 5.787 1.00 5.45 N ATOM 658 CA SER A 44 -2.258 -10.182 4.426 1.00 12.41 C ATOM 659 C SER A 44 -2.754 -9.103 3.503 1.00 73.44 C ATOM 660 O SER A 44 -3.416 -8.163 3.957 1.00 2.12 O ATOM 661 CB SER A 44 -3.125 -11.446 4.271 1.00 1.21 C ATOM 662 OG SER A 44 -4.475 -11.195 4.684 1.00 55.34 O ATOM 0 H SER A 44 -2.808 -8.798 5.879 1.00 5.45 H new ATOM 0 HA SER A 44 -1.227 -10.435 4.179 1.00 12.41 H new ATOM 0 HB2 SER A 44 -3.114 -11.774 3.232 1.00 1.21 H new ATOM 0 HB3 SER A 44 -2.703 -12.256 4.866 1.00 1.21 H new ATOM 0 HG SER A 44 -4.930 -10.655 4.005 1.00 55.34 H new ATOM 668 N LEU A 45 -2.444 -9.201 2.241 1.00 72.14 N ATOM 669 CA LEU A 45 -2.944 -8.245 1.304 1.00 12.43 C ATOM 670 C LEU A 45 -3.663 -8.947 0.209 1.00 5.52 C ATOM 671 O LEU A 45 -3.112 -9.801 -0.488 1.00 12.53 O ATOM 672 CB LEU A 45 -1.863 -7.387 0.692 1.00 3.41 C ATOM 673 CG LEU A 45 -0.967 -6.590 1.651 1.00 35.40 C ATOM 674 CD1 LEU A 45 0.128 -5.879 0.876 1.00 60.54 C ATOM 675 CD2 LEU A 45 -1.796 -5.572 2.419 1.00 10.30 C ATOM 0 H LEU A 45 -1.851 -9.929 1.843 1.00 72.14 H new ATOM 0 HA LEU A 45 -3.611 -7.588 1.862 1.00 12.43 H new ATOM 0 HB2 LEU A 45 -1.223 -8.031 0.089 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -2.338 -6.682 0.010 1.00 3.41 H new ATOM 0 HG LEU A 45 -0.510 -7.283 2.357 1.00 35.40 H new ATOM 0 HD11 LEU A 45 0.757 -5.317 1.567 1.00 60.54 H new ATOM 0 HD12 LEU A 45 0.736 -6.614 0.348 1.00 60.54 H new ATOM 0 HD13 LEU A 45 -0.321 -5.195 0.156 1.00 60.54 H new ATOM 0 HD21 LEU A 45 -1.150 -5.013 3.096 1.00 10.30 H new ATOM 0 HD22 LEU A 45 -2.269 -4.884 1.718 1.00 10.30 H new ATOM 0 HD23 LEU A 45 -2.564 -6.088 2.995 1.00 10.30 H new ATOM 687 N GLU A 46 -4.855 -8.608 0.088 1.00 52.11 N ATOM 688 CA GLU A 46 -5.712 -9.055 -0.946 1.00 60.41 C ATOM 689 C GLU A 46 -6.567 -7.904 -1.385 1.00 4.12 C ATOM 690 O GLU A 46 -6.929 -7.046 -0.563 1.00 43.22 O ATOM 691 CB GLU A 46 -6.552 -10.315 -0.588 1.00 32.32 C ATOM 692 CG GLU A 46 -7.282 -10.325 0.764 1.00 55.32 C ATOM 693 CD GLU A 46 -6.393 -10.738 1.931 1.00 10.35 C ATOM 694 OE1 GLU A 46 -6.086 -11.947 2.046 1.00 2.31 O ATOM 695 OE2 GLU A 46 -6.037 -9.896 2.770 1.00 24.44 O ATOM 0 H GLU A 46 -5.312 -7.969 0.739 1.00 52.11 H new ATOM 0 HA GLU A 46 -5.087 -9.394 -1.773 1.00 60.41 H new ATOM 0 HB2 GLU A 46 -7.296 -10.456 -1.372 1.00 32.32 H new ATOM 0 HB3 GLU A 46 -5.889 -11.180 -0.618 1.00 32.32 H new ATOM 0 HG2 GLU A 46 -7.685 -9.331 0.958 1.00 55.32 H new ATOM 0 HG3 GLU A 46 -8.131 -11.007 0.705 1.00 55.32 H new ATOM 702 N GLU A 47 -6.863 -7.850 -2.651 1.00 11.33 N ATOM 703 CA GLU A 47 -7.584 -6.746 -3.198 1.00 53.53 C ATOM 704 C GLU A 47 -9.013 -6.691 -2.700 1.00 13.42 C ATOM 705 O GLU A 47 -9.648 -7.722 -2.432 1.00 31.20 O ATOM 706 CB GLU A 47 -7.507 -6.661 -4.732 1.00 61.30 C ATOM 707 CG GLU A 47 -7.972 -7.890 -5.499 1.00 4.24 C ATOM 708 CD GLU A 47 -6.986 -9.051 -5.490 1.00 13.25 C ATOM 709 OE1 GLU A 47 -6.910 -9.777 -4.480 1.00 63.24 O ATOM 710 OE2 GLU A 47 -6.271 -9.250 -6.495 1.00 70.53 O ATOM 0 H GLU A 47 -6.611 -8.569 -3.329 1.00 11.33 H new ATOM 0 HA GLU A 47 -7.077 -5.856 -2.826 1.00 53.53 H new ATOM 0 HB2 GLU A 47 -8.103 -5.809 -5.058 1.00 61.30 H new ATOM 0 HB3 GLU A 47 -6.474 -6.453 -5.012 1.00 61.30 H new ATOM 0 HG2 GLU A 47 -8.918 -8.230 -5.077 1.00 4.24 H new ATOM 0 HG3 GLU A 47 -8.169 -7.605 -6.533 1.00 4.24 H new ATOM 717 N GLY A 48 -9.503 -5.497 -2.571 1.00 33.24 N ATOM 718 CA GLY A 48 -10.824 -5.282 -2.020 1.00 41.33 C ATOM 719 C GLY A 48 -10.770 -4.911 -0.541 1.00 42.45 C ATOM 720 O GLY A 48 -11.743 -4.405 0.021 1.00 14.03 O ATOM 0 H GLY A 48 -9.011 -4.645 -2.839 1.00 33.24 H new ATOM 0 HA2 GLY A 48 -11.324 -4.489 -2.575 1.00 41.33 H new ATOM 0 HA3 GLY A 48 -11.421 -6.185 -2.146 1.00 41.33 H new ATOM 724 N GLN A 49 -9.637 -5.172 0.090 1.00 24.21 N ATOM 725 CA GLN A 49 -9.423 -4.827 1.487 1.00 30.24 C ATOM 726 C GLN A 49 -9.044 -3.384 1.623 1.00 52.41 C ATOM 727 O GLN A 49 -8.250 -2.880 0.844 1.00 73.01 O ATOM 728 CB GLN A 49 -8.324 -5.707 2.083 1.00 12.32 C ATOM 729 CG GLN A 49 -8.754 -7.123 2.426 1.00 62.33 C ATOM 730 CD GLN A 49 -9.468 -7.253 3.776 1.00 4.02 C ATOM 731 OE1 GLN A 49 -10.150 -6.230 4.216 1.00 62.32 O flip ATOM 732 NE2 GLN A 49 -9.390 -8.296 4.425 1.00 71.45 N flip ATOM 0 H GLN A 49 -8.839 -5.629 -0.351 1.00 24.21 H new ATOM 0 HA GLN A 49 -10.354 -4.997 2.028 1.00 30.24 H new ATOM 0 HB2 GLN A 49 -7.495 -5.756 1.377 1.00 12.32 H new ATOM 0 HB3 GLN A 49 -7.946 -5.229 2.987 1.00 12.32 H new ATOM 0 HG2 GLN A 49 -9.415 -7.490 1.641 1.00 62.33 H new ATOM 0 HG3 GLN A 49 -7.875 -7.767 2.429 1.00 62.33 H new ATOM 0 HE21 GLN A 49 -8.852 -9.083 4.063 1.00 71.45 H new ATOM 0 HE22 GLN A 49 -9.864 -8.373 5.325 1.00 71.45 H new ATOM 741 N ASP A 50 -9.603 -2.720 2.597 1.00 74.31 N ATOM 742 CA ASP A 50 -9.261 -1.340 2.841 1.00 64.03 C ATOM 743 C ASP A 50 -8.085 -1.311 3.772 1.00 42.44 C ATOM 744 O ASP A 50 -8.034 -2.078 4.755 1.00 65.22 O ATOM 745 CB ASP A 50 -10.423 -0.543 3.439 1.00 50.34 C ATOM 746 CG ASP A 50 -11.646 -0.449 2.553 1.00 71.14 C ATOM 747 OD1 ASP A 50 -11.764 0.506 1.760 1.00 32.11 O ATOM 748 OD2 ASP A 50 -12.532 -1.316 2.673 1.00 5.10 O ATOM 0 H ASP A 50 -10.297 -3.109 3.236 1.00 74.31 H new ATOM 0 HA ASP A 50 -9.021 -0.869 1.888 1.00 64.03 H new ATOM 0 HB2 ASP A 50 -10.711 -1.001 4.385 1.00 50.34 H new ATOM 0 HB3 ASP A 50 -10.076 0.465 3.665 1.00 50.34 H new ATOM 753 N VAL A 51 -7.158 -0.466 3.500 1.00 23.11 N ATOM 754 CA VAL A 51 -5.952 -0.424 4.246 1.00 60.11 C ATOM 755 C VAL A 51 -5.528 1.015 4.517 1.00 73.41 C ATOM 756 O VAL A 51 -5.819 1.928 3.751 1.00 3.24 O ATOM 757 CB VAL A 51 -4.829 -1.222 3.517 1.00 3.33 C ATOM 758 CG1 VAL A 51 -4.475 -0.615 2.165 1.00 32.51 C ATOM 759 CG2 VAL A 51 -3.597 -1.406 4.391 1.00 72.32 C ATOM 0 H VAL A 51 -7.214 0.221 2.748 1.00 23.11 H new ATOM 0 HA VAL A 51 -6.128 -0.900 5.211 1.00 60.11 H new ATOM 0 HB VAL A 51 -5.233 -2.215 3.322 1.00 3.33 H new ATOM 0 HG11 VAL A 51 -3.688 -1.206 1.696 1.00 32.51 H new ATOM 0 HG12 VAL A 51 -5.357 -0.612 1.525 1.00 32.51 H new ATOM 0 HG13 VAL A 51 -4.126 0.408 2.306 1.00 32.51 H new ATOM 0 HG21 VAL A 51 -2.841 -1.967 3.841 1.00 72.32 H new ATOM 0 HG22 VAL A 51 -3.196 -0.430 4.665 1.00 72.32 H new ATOM 0 HG23 VAL A 51 -3.870 -1.953 5.294 1.00 72.32 H new ATOM 769 N ILE A 52 -4.886 1.184 5.607 1.00 40.21 N ATOM 770 CA ILE A 52 -4.385 2.447 6.056 1.00 62.12 C ATOM 771 C ILE A 52 -2.875 2.353 5.981 1.00 72.33 C ATOM 772 O ILE A 52 -2.314 1.312 6.316 1.00 41.30 O ATOM 773 CB ILE A 52 -4.801 2.686 7.532 1.00 4.52 C ATOM 774 CG1 ILE A 52 -6.328 2.585 7.672 1.00 14.52 C ATOM 775 CG2 ILE A 52 -4.303 4.046 8.028 1.00 43.30 C ATOM 776 CD1 ILE A 52 -6.817 2.656 9.095 1.00 42.21 C ATOM 0 H ILE A 52 -4.680 0.418 6.249 1.00 40.21 H new ATOM 0 HA ILE A 52 -4.776 3.264 5.449 1.00 62.12 H new ATOM 0 HB ILE A 52 -4.340 1.915 8.150 1.00 4.52 H new ATOM 0 HG12 ILE A 52 -6.789 3.389 7.099 1.00 14.52 H new ATOM 0 HG13 ILE A 52 -6.662 1.646 7.230 1.00 14.52 H new ATOM 0 HG21 ILE A 52 -4.608 4.189 9.065 1.00 43.30 H new ATOM 0 HG22 ILE A 52 -3.216 4.082 7.961 1.00 43.30 H new ATOM 0 HG23 ILE A 52 -4.731 4.837 7.412 1.00 43.30 H new ATOM 0 HD11 ILE A 52 -7.904 2.578 9.110 1.00 42.21 H new ATOM 0 HD12 ILE A 52 -6.386 1.836 9.669 1.00 42.21 H new ATOM 0 HD13 ILE A 52 -6.515 3.606 9.536 1.00 42.21 H new ATOM 788 N PHE A 53 -2.226 3.378 5.513 1.00 75.23 N ATOM 789 CA PHE A 53 -0.783 3.347 5.391 1.00 2.52 C ATOM 790 C PHE A 53 -0.214 4.725 5.497 1.00 24.50 C ATOM 791 O PHE A 53 -0.943 5.687 5.643 1.00 30.22 O ATOM 792 CB PHE A 53 -0.375 2.730 4.041 1.00 12.21 C ATOM 793 CG PHE A 53 -0.994 3.393 2.837 1.00 44.31 C ATOM 794 CD1 PHE A 53 -2.239 3.001 2.391 1.00 52.22 C ATOM 795 CD2 PHE A 53 -0.327 4.397 2.151 1.00 74.32 C ATOM 796 CE1 PHE A 53 -2.806 3.588 1.296 1.00 53.41 C ATOM 797 CE2 PHE A 53 -0.891 4.984 1.049 1.00 22.04 C ATOM 798 CZ PHE A 53 -2.134 4.579 0.619 1.00 72.33 C ATOM 0 H PHE A 53 -2.664 4.247 5.208 1.00 75.23 H new ATOM 0 HA PHE A 53 -0.389 2.736 6.203 1.00 2.52 H new ATOM 0 HB2 PHE A 53 0.710 2.777 3.948 1.00 12.21 H new ATOM 0 HB3 PHE A 53 -0.650 1.675 4.040 1.00 12.21 H new ATOM 0 HD1 PHE A 53 -2.772 2.221 2.914 1.00 52.22 H new ATOM 0 HD2 PHE A 53 0.647 4.719 2.489 1.00 74.32 H new ATOM 0 HE1 PHE A 53 -3.783 3.274 0.961 1.00 53.41 H new ATOM 0 HE2 PHE A 53 -0.362 5.762 0.519 1.00 22.04 H new ATOM 0 HZ PHE A 53 -2.582 5.039 -0.250 1.00 72.33 H new ATOM 808 N ASP A 54 1.073 4.812 5.424 1.00 3.42 N ATOM 809 CA ASP A 54 1.746 6.061 5.366 1.00 34.40 C ATOM 810 C ASP A 54 2.379 6.092 4.014 1.00 63.41 C ATOM 811 O ASP A 54 2.549 5.037 3.391 1.00 15.12 O ATOM 812 CB ASP A 54 2.831 6.215 6.449 1.00 21.45 C ATOM 813 CG ASP A 54 2.334 6.107 7.877 1.00 43.33 C ATOM 814 OD1 ASP A 54 1.162 6.452 8.168 1.00 61.35 O ATOM 815 OD2 ASP A 54 3.134 5.706 8.750 1.00 2.40 O ATOM 0 H ASP A 54 1.694 4.003 5.403 1.00 3.42 H new ATOM 0 HA ASP A 54 1.043 6.876 5.540 1.00 34.40 H new ATOM 0 HB2 ASP A 54 3.594 5.454 6.288 1.00 21.45 H new ATOM 0 HB3 ASP A 54 3.315 7.183 6.321 1.00 21.45 H new ATOM 820 N LEU A 55 2.724 7.226 3.543 1.00 1.31 N ATOM 821 CA LEU A 55 3.250 7.317 2.219 1.00 62.53 C ATOM 822 C LEU A 55 4.537 8.087 2.135 1.00 42.33 C ATOM 823 O LEU A 55 4.658 9.223 2.630 1.00 41.01 O ATOM 824 CB LEU A 55 2.175 7.850 1.268 1.00 10.41 C ATOM 825 CG LEU A 55 2.541 8.161 -0.184 1.00 33.53 C ATOM 826 CD1 LEU A 55 3.266 7.011 -0.788 1.00 3.31 C ATOM 827 CD2 LEU A 55 1.263 8.416 -0.986 1.00 24.33 C ATOM 0 H LEU A 55 2.656 8.111 4.046 1.00 1.31 H new ATOM 0 HA LEU A 55 3.520 6.310 1.902 1.00 62.53 H new ATOM 0 HB2 LEU A 55 1.364 7.122 1.252 1.00 10.41 H new ATOM 0 HB3 LEU A 55 1.775 8.764 1.707 1.00 10.41 H new ATOM 0 HG LEU A 55 3.181 9.043 -0.205 1.00 33.53 H new ATOM 0 HD11 LEU A 55 3.521 7.244 -1.822 1.00 3.31 H new ATOM 0 HD12 LEU A 55 4.178 6.819 -0.223 1.00 3.31 H new ATOM 0 HD13 LEU A 55 2.630 6.126 -0.762 1.00 3.31 H new ATOM 0 HD21 LEU A 55 1.521 8.638 -2.021 1.00 24.33 H new ATOM 0 HD22 LEU A 55 0.629 7.530 -0.952 1.00 24.33 H new ATOM 0 HD23 LEU A 55 0.727 9.262 -0.557 1.00 24.33 H new ATOM 839 N GLU A 56 5.485 7.439 1.522 1.00 74.51 N ATOM 840 CA GLU A 56 6.770 7.984 1.215 1.00 41.41 C ATOM 841 C GLU A 56 6.889 8.079 -0.285 1.00 4.40 C ATOM 842 O GLU A 56 6.530 7.137 -1.015 1.00 13.03 O ATOM 843 CB GLU A 56 7.898 7.124 1.783 1.00 43.02 C ATOM 844 CG GLU A 56 7.922 7.086 3.293 1.00 3.02 C ATOM 845 CD GLU A 56 9.071 6.288 3.848 1.00 72.53 C ATOM 846 OE1 GLU A 56 10.230 6.736 3.716 1.00 50.42 O ATOM 847 OE2 GLU A 56 8.832 5.225 4.475 1.00 3.11 O ATOM 0 H GLU A 56 5.376 6.474 1.210 1.00 74.51 H new ATOM 0 HA GLU A 56 6.862 8.969 1.672 1.00 41.41 H new ATOM 0 HB2 GLU A 56 7.796 6.107 1.403 1.00 43.02 H new ATOM 0 HB3 GLU A 56 8.853 7.505 1.421 1.00 43.02 H new ATOM 0 HG2 GLU A 56 7.978 8.105 3.675 1.00 3.02 H new ATOM 0 HG3 GLU A 56 6.985 6.662 3.654 1.00 3.02 H new ATOM 854 N GLU A 57 7.365 9.183 -0.745 1.00 71.41 N ATOM 855 CA GLU A 57 7.447 9.434 -2.146 1.00 0.14 C ATOM 856 C GLU A 57 8.811 9.034 -2.688 1.00 11.15 C ATOM 857 O GLU A 57 9.848 9.331 -2.093 1.00 42.40 O ATOM 858 CB GLU A 57 7.131 10.901 -2.426 1.00 21.20 C ATOM 859 CG GLU A 57 7.150 11.282 -3.888 1.00 71.21 C ATOM 860 CD GLU A 57 6.735 12.702 -4.098 1.00 24.34 C ATOM 861 OE1 GLU A 57 7.563 13.604 -3.918 1.00 72.35 O ATOM 862 OE2 GLU A 57 5.560 12.939 -4.448 1.00 31.12 O ATOM 0 H GLU A 57 7.711 9.943 -0.159 1.00 71.41 H new ATOM 0 HA GLU A 57 6.708 8.823 -2.664 1.00 0.14 H new ATOM 0 HB2 GLU A 57 6.147 11.131 -2.017 1.00 21.20 H new ATOM 0 HB3 GLU A 57 7.851 11.522 -1.893 1.00 21.20 H new ATOM 0 HG2 GLU A 57 8.153 11.133 -4.289 1.00 71.21 H new ATOM 0 HG3 GLU A 57 6.483 10.623 -4.444 1.00 71.21 H new ATOM 869 N LYS A 58 8.795 8.346 -3.795 1.00 73.32 N ATOM 870 CA LYS A 58 9.985 7.893 -4.452 1.00 1.14 C ATOM 871 C LYS A 58 10.229 8.824 -5.626 1.00 62.52 C ATOM 872 O LYS A 58 9.883 8.501 -6.772 1.00 23.33 O ATOM 873 CB LYS A 58 9.781 6.455 -4.951 1.00 60.44 C ATOM 874 CG LYS A 58 11.003 5.765 -5.521 1.00 54.30 C ATOM 875 CD LYS A 58 12.057 5.555 -4.456 1.00 12.33 C ATOM 876 CE LYS A 58 13.225 4.763 -4.991 1.00 14.52 C ATOM 877 NZ LYS A 58 14.244 4.530 -3.956 1.00 71.11 N ATOM 0 H LYS A 58 7.935 8.080 -4.275 1.00 73.32 H new ATOM 0 HA LYS A 58 10.837 7.900 -3.773 1.00 1.14 H new ATOM 0 HB2 LYS A 58 9.404 5.855 -4.123 1.00 60.44 H new ATOM 0 HB3 LYS A 58 9.005 6.465 -5.716 1.00 60.44 H new ATOM 0 HG2 LYS A 58 10.716 4.804 -5.947 1.00 54.30 H new ATOM 0 HG3 LYS A 58 11.416 6.363 -6.333 1.00 54.30 H new ATOM 0 HD2 LYS A 58 12.406 6.521 -4.091 1.00 12.33 H new ATOM 0 HD3 LYS A 58 11.619 5.032 -3.606 1.00 12.33 H new ATOM 0 HE2 LYS A 58 12.871 3.806 -5.375 1.00 14.52 H new ATOM 0 HE3 LYS A 58 13.673 5.297 -5.829 1.00 14.52 H new ATOM 0 HZ1 LYS A 58 15.031 3.983 -4.360 1.00 71.11 H new ATOM 0 HZ2 LYS A 58 14.600 5.443 -3.608 1.00 71.11 H new ATOM 0 HZ3 LYS A 58 13.823 3.999 -3.167 1.00 71.11 H new ATOM 891 N GLN A 59 10.743 10.015 -5.311 1.00 24.34 N ATOM 892 CA GLN A 59 10.965 11.112 -6.270 1.00 25.30 C ATOM 893 C GLN A 59 9.624 11.668 -6.779 1.00 72.24 C ATOM 894 O GLN A 59 9.242 12.782 -6.442 1.00 41.20 O ATOM 895 CB GLN A 59 11.878 10.693 -7.436 1.00 34.42 C ATOM 896 CG GLN A 59 12.237 11.828 -8.380 1.00 70.04 C ATOM 897 CD GLN A 59 12.962 12.960 -7.679 1.00 23.53 C ATOM 898 OE1 GLN A 59 13.674 12.748 -6.692 1.00 64.21 O ATOM 899 NE2 GLN A 59 12.807 14.154 -8.177 1.00 72.43 N ATOM 0 H GLN A 59 11.025 10.254 -4.360 1.00 24.34 H new ATOM 0 HA GLN A 59 11.486 11.908 -5.738 1.00 25.30 H new ATOM 0 HB2 GLN A 59 12.796 10.268 -7.030 1.00 34.42 H new ATOM 0 HB3 GLN A 59 11.385 9.904 -8.004 1.00 34.42 H new ATOM 0 HG2 GLN A 59 12.864 11.443 -9.184 1.00 70.04 H new ATOM 0 HG3 GLN A 59 11.328 12.214 -8.841 1.00 70.04 H new ATOM 0 HE21 GLN A 59 12.211 14.293 -8.993 1.00 72.43 H new ATOM 0 HE22 GLN A 59 13.281 14.950 -7.751 1.00 72.43 H new ATOM 908 N GLY A 60 8.937 10.887 -7.580 1.00 1.42 N ATOM 909 CA GLY A 60 7.632 11.248 -8.068 1.00 75.42 C ATOM 910 C GLY A 60 6.652 10.105 -7.909 1.00 75.32 C ATOM 911 O GLY A 60 5.433 10.295 -7.999 1.00 4.01 O ATOM 0 H GLY A 60 9.271 9.982 -7.911 1.00 1.42 H new ATOM 0 HA2 GLY A 60 7.267 12.121 -7.527 1.00 75.42 H new ATOM 0 HA3 GLY A 60 7.699 11.529 -9.119 1.00 75.42 H new ATOM 915 N LYS A 61 7.185 8.908 -7.673 1.00 43.23 N ATOM 916 CA LYS A 61 6.367 7.737 -7.469 1.00 24.25 C ATOM 917 C LYS A 61 5.939 7.665 -6.024 1.00 34.32 C ATOM 918 O LYS A 61 6.513 8.335 -5.178 1.00 52.33 O ATOM 919 CB LYS A 61 7.124 6.488 -7.841 1.00 63.03 C ATOM 920 CG LYS A 61 7.563 6.467 -9.275 1.00 42.31 C ATOM 921 CD LYS A 61 8.305 5.204 -9.600 1.00 71.15 C ATOM 922 CE LYS A 61 7.434 3.977 -9.432 1.00 22.23 C ATOM 923 NZ LYS A 61 8.163 2.730 -9.736 1.00 34.24 N ATOM 0 H LYS A 61 8.189 8.734 -7.620 1.00 43.23 H new ATOM 0 HA LYS A 61 5.487 7.810 -8.107 1.00 24.25 H new ATOM 0 HB2 LYS A 61 8.000 6.397 -7.198 1.00 63.03 H new ATOM 0 HB3 LYS A 61 6.495 5.619 -7.648 1.00 63.03 H new ATOM 0 HG2 LYS A 61 6.693 6.558 -9.925 1.00 42.31 H new ATOM 0 HG3 LYS A 61 8.201 7.328 -9.475 1.00 42.31 H new ATOM 0 HD2 LYS A 61 8.671 5.252 -10.626 1.00 71.15 H new ATOM 0 HD3 LYS A 61 9.179 5.120 -8.954 1.00 71.15 H new ATOM 0 HE2 LYS A 61 7.059 3.937 -8.409 1.00 22.23 H new ATOM 0 HE3 LYS A 61 6.566 4.057 -10.086 1.00 22.23 H new ATOM 0 HZ1 LYS A 61 7.528 1.917 -9.608 1.00 34.24 H new ATOM 0 HZ2 LYS A 61 8.499 2.755 -10.720 1.00 34.24 H new ATOM 0 HZ3 LYS A 61 8.977 2.638 -9.095 1.00 34.24 H new ATOM 937 N ALA A 62 4.975 6.861 -5.727 1.00 21.13 N ATOM 938 CA ALA A 62 4.466 6.790 -4.378 1.00 11.31 C ATOM 939 C ALA A 62 4.446 5.345 -3.890 1.00 34.33 C ATOM 940 O ALA A 62 3.939 4.476 -4.587 1.00 41.33 O ATOM 941 CB ALA A 62 3.061 7.387 -4.360 1.00 53.15 C ATOM 0 H ALA A 62 4.516 6.239 -6.392 1.00 21.13 H new ATOM 0 HA ALA A 62 5.113 7.355 -3.707 1.00 11.31 H new ATOM 0 HB1 ALA A 62 2.660 7.342 -3.348 1.00 53.15 H new ATOM 0 HB2 ALA A 62 3.103 8.426 -4.688 1.00 53.15 H new ATOM 0 HB3 ALA A 62 2.416 6.820 -5.032 1.00 53.15 H new ATOM 947 N TYR A 63 5.009 5.085 -2.702 1.00 54.33 N ATOM 948 CA TYR A 63 4.964 3.740 -2.126 1.00 2.54 C ATOM 949 C TYR A 63 4.426 3.716 -0.701 1.00 1.24 C ATOM 950 O TYR A 63 4.871 4.471 0.177 1.00 71.04 O ATOM 951 CB TYR A 63 6.280 2.965 -2.249 1.00 31.24 C ATOM 952 CG TYR A 63 7.506 3.579 -1.604 1.00 41.51 C ATOM 953 CD1 TYR A 63 8.238 4.559 -2.248 1.00 11.20 C ATOM 954 CD2 TYR A 63 7.943 3.151 -0.360 1.00 15.23 C ATOM 955 CE1 TYR A 63 9.371 5.102 -1.669 1.00 20.32 C ATOM 956 CE2 TYR A 63 9.076 3.682 0.221 1.00 12.01 C ATOM 957 CZ TYR A 63 9.783 4.660 -0.438 1.00 12.25 C ATOM 958 OH TYR A 63 10.926 5.186 0.131 1.00 51.11 O ATOM 0 H TYR A 63 5.493 5.778 -2.131 1.00 54.33 H new ATOM 0 HA TYR A 63 4.244 3.207 -2.746 1.00 2.54 H new ATOM 0 HB2 TYR A 63 6.131 1.975 -1.818 1.00 31.24 H new ATOM 0 HB3 TYR A 63 6.491 2.823 -3.309 1.00 31.24 H new ATOM 0 HD1 TYR A 63 7.920 4.907 -3.220 1.00 11.20 H new ATOM 0 HD2 TYR A 63 7.386 2.388 0.164 1.00 15.23 H new ATOM 0 HE1 TYR A 63 9.928 5.870 -2.184 1.00 20.32 H new ATOM 0 HE2 TYR A 63 9.406 3.332 1.188 1.00 12.01 H new ATOM 0 HH TYR A 63 11.079 4.768 1.004 1.00 51.11 H new ATOM 968 N ALA A 64 3.455 2.860 -0.507 1.00 24.02 N ATOM 969 CA ALA A 64 2.766 2.687 0.754 1.00 72.14 C ATOM 970 C ALA A 64 3.641 1.970 1.743 1.00 11.42 C ATOM 971 O ALA A 64 4.276 0.949 1.424 1.00 44.35 O ATOM 972 CB ALA A 64 1.466 1.920 0.533 1.00 42.13 C ATOM 0 H ALA A 64 3.109 2.244 -1.242 1.00 24.02 H new ATOM 0 HA ALA A 64 2.531 3.670 1.163 1.00 72.14 H new ATOM 0 HB1 ALA A 64 0.952 1.793 1.486 1.00 42.13 H new ATOM 0 HB2 ALA A 64 0.827 2.477 -0.153 1.00 42.13 H new ATOM 0 HB3 ALA A 64 1.689 0.941 0.108 1.00 42.13 H new ATOM 978 N VAL A 65 3.683 2.500 2.928 1.00 71.34 N ATOM 979 CA VAL A 65 4.482 1.972 3.998 1.00 5.14 C ATOM 980 C VAL A 65 3.648 1.991 5.257 1.00 24.22 C ATOM 981 O VAL A 65 2.630 2.652 5.283 1.00 62.25 O ATOM 982 CB VAL A 65 5.787 2.814 4.231 1.00 24.40 C ATOM 983 CG1 VAL A 65 6.644 2.873 2.985 1.00 2.43 C ATOM 984 CG2 VAL A 65 5.474 4.219 4.719 1.00 70.12 C ATOM 0 H VAL A 65 3.151 3.331 3.186 1.00 71.34 H new ATOM 0 HA VAL A 65 4.789 0.959 3.736 1.00 5.14 H new ATOM 0 HB VAL A 65 6.351 2.302 5.011 1.00 24.40 H new ATOM 0 HG11 VAL A 65 7.538 3.464 3.186 1.00 2.43 H new ATOM 0 HG12 VAL A 65 6.934 1.863 2.695 1.00 2.43 H new ATOM 0 HG13 VAL A 65 6.078 3.334 2.176 1.00 2.43 H new ATOM 0 HG21 VAL A 65 6.404 4.768 4.868 1.00 70.12 H new ATOM 0 HG22 VAL A 65 4.863 4.734 3.978 1.00 70.12 H new ATOM 0 HG23 VAL A 65 4.930 4.164 5.662 1.00 70.12 H new ATOM 994 N ASN A 66 4.078 1.264 6.275 1.00 40.42 N ATOM 995 CA ASN A 66 3.397 1.222 7.586 1.00 42.32 C ATOM 996 C ASN A 66 1.917 0.886 7.422 1.00 35.20 C ATOM 997 O ASN A 66 1.038 1.719 7.680 1.00 41.40 O ATOM 998 CB ASN A 66 3.547 2.549 8.330 1.00 52.44 C ATOM 999 CG ASN A 66 3.187 2.432 9.806 1.00 65.35 C ATOM 1000 OD1 ASN A 66 3.367 1.370 10.421 1.00 40.41 O ATOM 1001 ND2 ASN A 66 2.714 3.504 10.385 1.00 44.23 N ATOM 0 H ASN A 66 4.912 0.679 6.229 1.00 40.42 H new ATOM 0 HA ASN A 66 3.873 0.438 8.175 1.00 42.32 H new ATOM 0 HB2 ASN A 66 4.574 2.901 8.236 1.00 52.44 H new ATOM 0 HB3 ASN A 66 2.909 3.299 7.862 1.00 52.44 H new ATOM 0 HD21 ASN A 66 2.479 3.486 11.377 1.00 44.23 H new ATOM 0 HD22 ASN A 66 2.580 4.359 9.845 1.00 44.23 H new ATOM 1008 N LEU A 67 1.654 -0.291 6.921 1.00 4.22 N ATOM 1009 CA LEU A 67 0.303 -0.687 6.625 1.00 22.14 C ATOM 1010 C LEU A 67 -0.448 -1.105 7.868 1.00 12.20 C ATOM 1011 O LEU A 67 0.137 -1.634 8.816 1.00 40.11 O ATOM 1012 CB LEU A 67 0.270 -1.846 5.644 1.00 64.32 C ATOM 1013 CG LEU A 67 0.979 -1.686 4.307 1.00 32.01 C ATOM 1014 CD1 LEU A 67 0.652 -2.849 3.458 1.00 60.24 C ATOM 1015 CD2 LEU A 67 0.580 -0.416 3.612 1.00 21.33 C ATOM 0 H LEU A 67 2.361 -0.995 6.708 1.00 4.22 H new ATOM 0 HA LEU A 67 -0.178 0.188 6.187 1.00 22.14 H new ATOM 0 HB2 LEU A 67 0.697 -2.716 6.144 1.00 64.32 H new ATOM 0 HB3 LEU A 67 -0.775 -2.077 5.439 1.00 64.32 H new ATOM 0 HG LEU A 67 2.053 -1.633 4.486 1.00 32.01 H new ATOM 0 HD11 LEU A 67 1.153 -2.749 2.495 1.00 60.24 H new ATOM 0 HD12 LEU A 67 0.987 -3.763 3.948 1.00 60.24 H new ATOM 0 HD13 LEU A 67 -0.426 -2.895 3.303 1.00 60.24 H new ATOM 0 HD21 LEU A 67 1.108 -0.340 2.662 1.00 21.33 H new ATOM 0 HD22 LEU A 67 -0.495 -0.423 3.430 1.00 21.33 H new ATOM 0 HD23 LEU A 67 0.836 0.438 4.239 1.00 21.33 H new ATOM 1027 N ARG A 68 -1.731 -0.882 7.842 1.00 44.51 N ATOM 1028 CA ARG A 68 -2.625 -1.279 8.896 1.00 2.41 C ATOM 1029 C ARG A 68 -3.971 -1.527 8.226 1.00 64.42 C ATOM 1030 O ARG A 68 -4.402 -0.707 7.437 1.00 30.24 O ATOM 1031 CB ARG A 68 -2.783 -0.118 9.884 1.00 11.23 C ATOM 1032 CG ARG A 68 -3.236 -0.519 11.256 1.00 42.54 C ATOM 1033 CD ARG A 68 -2.142 -1.331 11.929 1.00 10.21 C ATOM 1034 NE ARG A 68 -0.865 -0.597 11.937 1.00 22.03 N ATOM 1035 CZ ARG A 68 0.319 -1.081 12.316 1.00 24.13 C ATOM 1036 NH1 ARG A 68 0.429 -2.326 12.788 1.00 35.13 N ATOM 1037 NH2 ARG A 68 1.399 -0.310 12.220 1.00 62.12 N ATOM 0 H ARG A 68 -2.197 -0.407 7.069 1.00 44.51 H new ATOM 0 HA ARG A 68 -2.258 -2.156 9.428 1.00 2.41 H new ATOM 0 HB2 ARG A 68 -1.828 0.401 9.969 1.00 11.23 H new ATOM 0 HB3 ARG A 68 -3.498 0.595 9.474 1.00 11.23 H new ATOM 0 HG2 ARG A 68 -3.465 0.366 11.849 1.00 42.54 H new ATOM 0 HG3 ARG A 68 -4.153 -1.105 11.192 1.00 42.54 H new ATOM 0 HD2 ARG A 68 -2.436 -1.566 12.952 1.00 10.21 H new ATOM 0 HD3 ARG A 68 -2.016 -2.280 11.408 1.00 10.21 H new ATOM 0 HE ARG A 68 -0.888 0.373 11.623 1.00 22.03 H new ATOM 0 HH11 ARG A 68 -0.398 -2.918 12.862 1.00 35.13 H new ATOM 0 HH12 ARG A 68 1.340 -2.684 13.074 1.00 35.13 H new ATOM 0 HH21 ARG A 68 1.317 0.641 11.860 1.00 62.12 H new ATOM 0 HH22 ARG A 68 2.309 -0.670 12.507 1.00 62.12 H new ATOM 1051 N ILE A 69 -4.628 -2.632 8.489 1.00 35.23 N ATOM 1052 CA ILE A 69 -5.912 -2.844 7.839 1.00 11.52 C ATOM 1053 C ILE A 69 -7.047 -2.097 8.514 1.00 0.44 C ATOM 1054 O ILE A 69 -7.077 -1.961 9.748 1.00 51.43 O ATOM 1055 CB ILE A 69 -6.271 -4.348 7.522 1.00 21.35 C ATOM 1056 CG1 ILE A 69 -6.164 -5.293 8.738 1.00 42.33 C ATOM 1057 CG2 ILE A 69 -5.475 -4.876 6.349 1.00 73.45 C ATOM 1058 CD1 ILE A 69 -7.240 -5.116 9.781 1.00 4.31 C ATOM 0 H ILE A 69 -4.318 -3.372 9.119 1.00 35.23 H new ATOM 0 HA ILE A 69 -5.780 -2.395 6.854 1.00 11.52 H new ATOM 0 HB ILE A 69 -7.326 -4.337 7.249 1.00 21.35 H new ATOM 0 HG12 ILE A 69 -6.190 -6.323 8.382 1.00 42.33 H new ATOM 0 HG13 ILE A 69 -5.193 -5.144 9.211 1.00 42.33 H new ATOM 0 HG21 ILE A 69 -5.749 -5.914 6.161 1.00 73.45 H new ATOM 0 HG22 ILE A 69 -5.691 -4.277 5.464 1.00 73.45 H new ATOM 0 HG23 ILE A 69 -4.410 -4.817 6.576 1.00 73.45 H new ATOM 0 HD11 ILE A 69 -7.079 -5.824 10.594 1.00 4.31 H new ATOM 0 HD12 ILE A 69 -7.204 -4.099 10.172 1.00 4.31 H new ATOM 0 HD13 ILE A 69 -8.216 -5.297 9.331 1.00 4.31 H new ATOM 1070 N LYS A 70 -7.925 -1.564 7.698 1.00 42.21 N ATOM 1071 CA LYS A 70 -9.096 -0.856 8.148 1.00 74.33 C ATOM 1072 C LYS A 70 -10.016 -1.823 8.878 1.00 72.21 C ATOM 1073 O LYS A 70 -10.611 -2.693 8.207 1.00 38.27 O ATOM 1074 CB LYS A 70 -9.825 -0.256 6.949 1.00 73.53 C ATOM 1075 CG LYS A 70 -11.002 0.615 7.316 1.00 53.33 C ATOM 1076 CD LYS A 70 -11.652 1.194 6.076 1.00 72.15 C ATOM 1077 CE LYS A 70 -12.882 1.998 6.412 1.00 43.23 C ATOM 1078 NZ LYS A 70 -13.489 2.591 5.197 1.00 64.21 N ATOM 1079 OXT LYS A 70 -10.167 -1.708 10.112 1.00 38.27 O ATOM 0 H LYS A 70 -7.842 -1.612 6.683 1.00 42.21 H new ATOM 0 HA LYS A 70 -8.801 -0.053 8.824 1.00 74.33 H new ATOM 0 HB2 LYS A 70 -9.118 0.334 6.366 1.00 73.53 H new ATOM 0 HB3 LYS A 70 -10.172 -1.065 6.306 1.00 73.53 H new ATOM 0 HG2 LYS A 70 -11.732 0.030 7.875 1.00 53.33 H new ATOM 0 HG3 LYS A 70 -10.672 1.422 7.970 1.00 53.33 H new ATOM 0 HD2 LYS A 70 -10.936 1.827 5.552 1.00 72.15 H new ATOM 0 HD3 LYS A 70 -11.921 0.386 5.395 1.00 72.15 H new ATOM 0 HE2 LYS A 70 -13.611 1.359 6.910 1.00 43.23 H new ATOM 0 HE3 LYS A 70 -12.620 2.790 7.114 1.00 43.23 H new ATOM 0 HZ1 LYS A 70 -14.333 3.138 5.462 1.00 64.21 H new ATOM 0 HZ2 LYS A 70 -12.800 3.219 4.736 1.00 64.21 H new ATOM 0 HZ3 LYS A 70 -13.760 1.833 4.539 1.00 64.21 H new TER 1093 LYS A 70