USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 58 LYS NZ :NH3+ 160:sc= 0.831 (180deg=0) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.732 USER MOD Set 2.1: A 23 GLN : amide:sc= 0.181 K(o=0.59,f=-0.52!) USER MOD Set 2.2: A 25 ASN : amide:sc= 0.409 K(o=0.59,f=-0.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0272) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.0832!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.455 K(o=-0.46,f=-1.4!) USER MOD Single : A 14 SER OG : rot -29:sc= 0.265 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc=-0.00861 (180deg=-0.0773) USER MOD Single : A 17 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.0135 (180deg=-0.133) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.0091) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 1.15 K(o=1.2,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= -3.04! (180deg=-3.35!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 2.324 12.828 4.167 1.00 54.31 N ATOM 21 CA ALA A 2 1.126 12.068 3.931 1.00 71.24 C ATOM 22 C ALA A 2 1.091 10.875 4.861 1.00 72.31 C ATOM 23 O ALA A 2 1.656 9.816 4.563 1.00 64.44 O ATOM 24 CB ALA A 2 1.024 11.642 2.477 1.00 63.03 C ATOM 0 HA ALA A 2 0.261 12.698 4.139 1.00 71.24 H new ATOM 0 HB1 ALA A 2 0.108 11.069 2.329 1.00 63.03 H new ATOM 0 HB2 ALA A 2 1.006 12.526 1.839 1.00 63.03 H new ATOM 0 HB3 ALA A 2 1.884 11.025 2.218 1.00 63.03 H new ATOM 30 N THR A 3 0.491 11.066 6.000 1.00 53.33 N ATOM 31 CA THR A 3 0.413 10.048 7.007 1.00 34.14 C ATOM 32 C THR A 3 -1.033 9.629 7.249 1.00 40.51 C ATOM 33 O THR A 3 -1.953 10.477 7.220 1.00 41.20 O ATOM 34 CB THR A 3 1.072 10.522 8.326 1.00 21.31 C ATOM 35 OG1 THR A 3 0.501 11.785 8.733 1.00 42.41 O ATOM 36 CG2 THR A 3 2.582 10.675 8.158 1.00 54.22 C ATOM 0 H THR A 3 0.037 11.942 6.258 1.00 53.33 H new ATOM 0 HA THR A 3 0.962 9.179 6.646 1.00 34.14 H new ATOM 0 HB THR A 3 0.883 9.769 9.091 1.00 21.31 H new ATOM 0 HG1 THR A 3 0.920 12.079 9.569 1.00 42.41 H new ATOM 0 HG21 THR A 3 3.021 11.009 9.098 1.00 54.22 H new ATOM 0 HG22 THR A 3 3.016 9.716 7.876 1.00 54.22 H new ATOM 0 HG23 THR A 3 2.789 11.410 7.380 1.00 54.22 H new ATOM 44 N ASN A 4 -1.226 8.332 7.485 1.00 63.14 N ATOM 45 CA ASN A 4 -2.550 7.722 7.666 1.00 15.55 C ATOM 46 C ASN A 4 -3.444 8.008 6.503 1.00 65.21 C ATOM 47 O ASN A 4 -4.272 8.920 6.524 1.00 61.13 O ATOM 48 CB ASN A 4 -3.221 8.047 9.015 1.00 55.13 C ATOM 49 CG ASN A 4 -2.644 7.265 10.197 1.00 55.33 C ATOM 50 OD1 ASN A 4 -3.348 7.010 11.178 1.00 22.31 O ATOM 51 ND2 ASN A 4 -1.393 6.870 10.122 1.00 11.12 N ATOM 0 H ASN A 4 -0.459 7.663 7.558 1.00 63.14 H new ATOM 0 HA ASN A 4 -2.376 6.647 7.700 1.00 15.55 H new ATOM 0 HB2 ASN A 4 -3.119 9.114 9.213 1.00 55.13 H new ATOM 0 HB3 ASN A 4 -4.288 7.837 8.939 1.00 55.13 H new ATOM 0 HD21 ASN A 4 -0.980 6.338 10.888 1.00 11.12 H new ATOM 0 HD22 ASN A 4 -0.835 7.096 9.298 1.00 11.12 H new ATOM 58 N ILE A 5 -3.212 7.280 5.470 1.00 43.12 N ATOM 59 CA ILE A 5 -3.913 7.431 4.248 1.00 33.34 C ATOM 60 C ILE A 5 -4.973 6.386 4.136 1.00 54.45 C ATOM 61 O ILE A 5 -4.812 5.266 4.630 1.00 62.51 O ATOM 62 CB ILE A 5 -2.949 7.291 3.055 1.00 52.33 C ATOM 63 CG1 ILE A 5 -1.830 8.307 3.176 1.00 64.34 C ATOM 64 CG2 ILE A 5 -3.671 7.414 1.708 1.00 14.55 C ATOM 65 CD1 ILE A 5 -0.925 8.327 2.001 1.00 61.21 C ATOM 0 H ILE A 5 -2.509 6.542 5.452 1.00 43.12 H new ATOM 0 HA ILE A 5 -4.366 8.422 4.234 1.00 33.34 H new ATOM 0 HB ILE A 5 -2.521 6.289 3.084 1.00 52.33 H new ATOM 0 HG12 ILE A 5 -2.262 9.299 3.310 1.00 64.34 H new ATOM 0 HG13 ILE A 5 -1.247 8.090 4.071 1.00 64.34 H new ATOM 0 HG21 ILE A 5 -2.950 7.309 0.898 1.00 14.55 H new ATOM 0 HG22 ILE A 5 -4.425 6.631 1.627 1.00 14.55 H new ATOM 0 HG23 ILE A 5 -4.152 8.390 1.641 1.00 14.55 H new ATOM 0 HD11 ILE A 5 -0.148 9.076 2.153 1.00 61.21 H new ATOM 0 HD12 ILE A 5 -0.465 7.346 1.879 1.00 61.21 H new ATOM 0 HD13 ILE A 5 -1.496 8.574 1.106 1.00 61.21 H new ATOM 77 N VAL A 6 -6.036 6.748 3.506 1.00 54.12 N ATOM 78 CA VAL A 6 -7.088 5.842 3.240 1.00 44.53 C ATOM 79 C VAL A 6 -6.861 5.227 1.895 1.00 2.22 C ATOM 80 O VAL A 6 -6.505 5.922 0.935 1.00 2.31 O ATOM 81 CB VAL A 6 -8.468 6.539 3.213 1.00 3.21 C ATOM 82 CG1 VAL A 6 -9.562 5.569 2.755 1.00 12.32 C ATOM 83 CG2 VAL A 6 -8.806 7.140 4.567 1.00 1.33 C ATOM 0 H VAL A 6 -6.197 7.693 3.159 1.00 54.12 H new ATOM 0 HA VAL A 6 -7.092 5.098 4.036 1.00 44.53 H new ATOM 0 HB VAL A 6 -8.416 7.354 2.491 1.00 3.21 H new ATOM 0 HG11 VAL A 6 -10.523 6.083 2.744 1.00 12.32 H new ATOM 0 HG12 VAL A 6 -9.332 5.209 1.752 1.00 12.32 H new ATOM 0 HG13 VAL A 6 -9.610 4.724 3.442 1.00 12.32 H new ATOM 0 HG21 VAL A 6 -9.782 7.623 4.517 1.00 1.33 H new ATOM 0 HG22 VAL A 6 -8.829 6.352 5.319 1.00 1.33 H new ATOM 0 HG23 VAL A 6 -8.050 7.877 4.837 1.00 1.33 H new ATOM 93 N GLY A 7 -7.018 3.965 1.830 1.00 72.34 N ATOM 94 CA GLY A 7 -7.006 3.319 0.597 1.00 60.22 C ATOM 95 C GLY A 7 -7.601 1.974 0.669 1.00 42.21 C ATOM 96 O GLY A 7 -7.966 1.498 1.723 1.00 54.11 O ATOM 0 H GLY A 7 -7.158 3.356 2.636 1.00 72.34 H new ATOM 0 HA2 GLY A 7 -7.553 3.918 -0.131 1.00 60.22 H new ATOM 0 HA3 GLY A 7 -5.979 3.242 0.239 1.00 60.22 H new ATOM 100 N LYS A 8 -7.741 1.414 -0.448 1.00 61.12 N ATOM 101 CA LYS A 8 -8.223 0.101 -0.646 1.00 4.35 C ATOM 102 C LYS A 8 -7.269 -0.624 -1.569 1.00 40.22 C ATOM 103 O LYS A 8 -6.841 -0.078 -2.593 1.00 70.41 O ATOM 104 CB LYS A 8 -9.629 0.181 -1.230 1.00 63.42 C ATOM 105 CG LYS A 8 -10.252 -1.116 -1.638 1.00 21.00 C ATOM 106 CD LYS A 8 -11.648 -0.850 -2.150 1.00 71.11 C ATOM 107 CE LYS A 8 -11.673 -0.029 -3.455 1.00 24.22 C ATOM 108 NZ LYS A 8 -11.068 -0.744 -4.594 1.00 3.51 N ATOM 0 H LYS A 8 -7.508 1.884 -1.323 1.00 61.12 H new ATOM 0 HA LYS A 8 -8.278 -0.452 0.292 1.00 4.35 H new ATOM 0 HB2 LYS A 8 -10.278 0.656 -0.495 1.00 63.42 H new ATOM 0 HB3 LYS A 8 -9.601 0.836 -2.101 1.00 63.42 H new ATOM 0 HG2 LYS A 8 -9.652 -1.595 -2.412 1.00 21.00 H new ATOM 0 HG3 LYS A 8 -10.286 -1.801 -0.791 1.00 21.00 H new ATOM 0 HD2 LYS A 8 -12.153 -1.801 -2.318 1.00 71.11 H new ATOM 0 HD3 LYS A 8 -12.213 -0.319 -1.384 1.00 71.11 H new ATOM 0 HE2 LYS A 8 -12.705 0.225 -3.699 1.00 24.22 H new ATOM 0 HE3 LYS A 8 -11.142 0.910 -3.298 1.00 24.22 H new ATOM 0 HZ1 LYS A 8 -11.203 -0.189 -5.463 1.00 3.51 H new ATOM 0 HZ2 LYS A 8 -10.051 -0.875 -4.421 1.00 3.51 H new ATOM 0 HZ3 LYS A 8 -11.523 -1.673 -4.702 1.00 3.51 H new ATOM 122 N VAL A 9 -6.909 -1.814 -1.193 1.00 63.05 N ATOM 123 CA VAL A 9 -5.999 -2.618 -1.963 1.00 2.43 C ATOM 124 C VAL A 9 -6.591 -2.912 -3.337 1.00 41.14 C ATOM 125 O VAL A 9 -7.651 -3.544 -3.439 1.00 34.41 O ATOM 126 CB VAL A 9 -5.678 -3.955 -1.231 1.00 33.14 C ATOM 127 CG1 VAL A 9 -4.764 -4.835 -2.062 1.00 41.23 C ATOM 128 CG2 VAL A 9 -5.047 -3.693 0.125 1.00 75.12 C ATOM 0 H VAL A 9 -7.239 -2.261 -0.337 1.00 63.05 H new ATOM 0 HA VAL A 9 -5.071 -2.058 -2.082 1.00 2.43 H new ATOM 0 HB VAL A 9 -6.623 -4.479 -1.086 1.00 33.14 H new ATOM 0 HG11 VAL A 9 -4.560 -5.760 -1.522 1.00 41.23 H new ATOM 0 HG12 VAL A 9 -5.247 -5.068 -3.011 1.00 41.23 H new ATOM 0 HG13 VAL A 9 -3.827 -4.311 -2.251 1.00 41.23 H new ATOM 0 HG21 VAL A 9 -4.832 -4.642 0.616 1.00 75.12 H new ATOM 0 HG22 VAL A 9 -4.120 -3.135 -0.007 1.00 75.12 H new ATOM 0 HG23 VAL A 9 -5.735 -3.114 0.741 1.00 75.12 H new ATOM 138 N LYS A 10 -5.933 -2.406 -4.383 1.00 20.21 N ATOM 139 CA LYS A 10 -6.346 -2.704 -5.748 1.00 10.30 C ATOM 140 C LYS A 10 -6.106 -4.178 -6.010 1.00 22.13 C ATOM 141 O LYS A 10 -6.979 -4.897 -6.508 1.00 73.13 O ATOM 142 CB LYS A 10 -5.512 -1.925 -6.762 1.00 30.12 C ATOM 143 CG LYS A 10 -5.734 -0.438 -6.913 1.00 32.45 C ATOM 144 CD LYS A 10 -4.730 0.075 -7.946 1.00 72.22 C ATOM 145 CE LYS A 10 -4.815 1.563 -8.219 1.00 43.05 C ATOM 146 NZ LYS A 10 -6.032 1.946 -8.958 1.00 2.32 N ATOM 0 H LYS A 10 -5.120 -1.794 -4.308 1.00 20.21 H new ATOM 0 HA LYS A 10 -7.396 -2.431 -5.854 1.00 10.30 H new ATOM 0 HB2 LYS A 10 -4.463 -2.076 -6.509 1.00 30.12 H new ATOM 0 HB3 LYS A 10 -5.673 -2.381 -7.739 1.00 30.12 H new ATOM 0 HG2 LYS A 10 -6.755 -0.234 -7.236 1.00 32.45 H new ATOM 0 HG3 LYS A 10 -5.595 0.069 -5.958 1.00 32.45 H new ATOM 0 HD2 LYS A 10 -3.723 -0.162 -7.604 1.00 72.22 H new ATOM 0 HD3 LYS A 10 -4.884 -0.463 -8.882 1.00 72.22 H new ATOM 0 HE2 LYS A 10 -4.787 2.102 -7.272 1.00 43.05 H new ATOM 0 HE3 LYS A 10 -3.939 1.873 -8.788 1.00 43.05 H new ATOM 0 HZ1 LYS A 10 -6.185 2.971 -8.868 1.00 2.32 H new ATOM 0 HZ2 LYS A 10 -5.920 1.700 -9.962 1.00 2.32 H new ATOM 0 HZ3 LYS A 10 -6.850 1.438 -8.566 1.00 2.32 H new ATOM 160 N TRP A 11 -4.900 -4.600 -5.672 1.00 55.44 N ATOM 161 CA TRP A 11 -4.428 -5.962 -5.821 1.00 42.30 C ATOM 162 C TRP A 11 -3.069 -6.058 -5.182 1.00 70.21 C ATOM 163 O TRP A 11 -2.437 -5.025 -4.903 1.00 1.41 O ATOM 164 CB TRP A 11 -4.323 -6.381 -7.310 1.00 41.41 C ATOM 165 CG TRP A 11 -3.431 -5.501 -8.152 1.00 13.44 C ATOM 166 CD1 TRP A 11 -3.787 -4.379 -8.841 1.00 31.40 C ATOM 167 CD2 TRP A 11 -2.039 -5.688 -8.388 1.00 5.14 C ATOM 168 NE1 TRP A 11 -2.690 -3.860 -9.482 1.00 61.24 N ATOM 169 CE2 TRP A 11 -1.605 -4.648 -9.215 1.00 5.24 C ATOM 170 CE3 TRP A 11 -1.128 -6.635 -7.970 1.00 53.21 C ATOM 171 CZ2 TRP A 11 -0.287 -4.534 -9.633 1.00 74.23 C ATOM 172 CZ3 TRP A 11 0.183 -6.525 -8.382 1.00 4.43 C ATOM 173 CH2 TRP A 11 0.593 -5.480 -9.205 1.00 42.11 C ATOM 0 H TRP A 11 -4.198 -3.978 -5.271 1.00 55.44 H new ATOM 0 HA TRP A 11 -5.142 -6.632 -5.342 1.00 42.30 H new ATOM 0 HB2 TRP A 11 -3.952 -7.405 -7.360 1.00 41.41 H new ATOM 0 HB3 TRP A 11 -5.323 -6.383 -7.744 1.00 41.41 H new ATOM 0 HD1 TRP A 11 -4.782 -3.962 -8.877 1.00 31.40 H new ATOM 0 HE1 TRP A 11 -2.685 -3.022 -10.063 1.00 61.24 H new ATOM 0 HE3 TRP A 11 -1.436 -7.449 -7.331 1.00 53.21 H new ATOM 0 HZ2 TRP A 11 0.029 -3.725 -10.274 1.00 74.23 H new ATOM 0 HZ3 TRP A 11 0.904 -7.262 -8.061 1.00 4.43 H new ATOM 0 HH2 TRP A 11 1.627 -5.419 -9.509 1.00 42.11 H new ATOM 184 N TYR A 12 -2.615 -7.260 -4.958 1.00 41.54 N ATOM 185 CA TYR A 12 -1.303 -7.476 -4.386 1.00 11.51 C ATOM 186 C TYR A 12 -0.763 -8.824 -4.803 1.00 24.23 C ATOM 187 O TYR A 12 -1.385 -9.857 -4.551 1.00 13.55 O ATOM 188 CB TYR A 12 -1.342 -7.357 -2.851 1.00 43.35 C ATOM 189 CG TYR A 12 0.007 -7.544 -2.169 1.00 25.40 C ATOM 190 CD1 TYR A 12 0.980 -6.556 -2.234 1.00 62.34 C ATOM 191 CD2 TYR A 12 0.304 -8.707 -1.468 1.00 74.43 C ATOM 192 CE1 TYR A 12 2.210 -6.719 -1.621 1.00 21.50 C ATOM 193 CE2 TYR A 12 1.531 -8.876 -0.852 1.00 62.41 C ATOM 194 CZ TYR A 12 2.478 -7.878 -0.931 1.00 13.04 C ATOM 195 OH TYR A 12 3.704 -8.047 -0.319 1.00 32.33 O ATOM 0 H TYR A 12 -3.134 -8.114 -5.162 1.00 41.54 H new ATOM 0 HA TYR A 12 -0.635 -6.702 -4.764 1.00 11.51 H new ATOM 0 HB2 TYR A 12 -1.737 -6.376 -2.585 1.00 43.35 H new ATOM 0 HB3 TYR A 12 -2.039 -8.098 -2.459 1.00 43.35 H new ATOM 0 HD1 TYR A 12 0.773 -5.643 -2.773 1.00 62.34 H new ATOM 0 HD2 TYR A 12 -0.435 -9.492 -1.403 1.00 74.43 H new ATOM 0 HE1 TYR A 12 2.955 -5.940 -1.684 1.00 21.50 H new ATOM 0 HE2 TYR A 12 1.746 -9.786 -0.312 1.00 62.41 H new ATOM 0 HH TYR A 12 3.730 -8.920 0.126 1.00 32.33 H new ATOM 205 N ASN A 13 0.371 -8.819 -5.451 1.00 64.41 N ATOM 206 CA ASN A 13 1.016 -10.047 -5.843 1.00 64.44 C ATOM 207 C ASN A 13 2.053 -10.423 -4.834 1.00 30.44 C ATOM 208 O ASN A 13 3.167 -9.885 -4.832 1.00 42.44 O ATOM 209 CB ASN A 13 1.607 -9.995 -7.265 1.00 25.41 C ATOM 210 CG ASN A 13 0.540 -10.021 -8.350 1.00 45.32 C ATOM 211 OD1 ASN A 13 -0.526 -10.597 -8.167 1.00 71.04 O ATOM 212 ND2 ASN A 13 0.815 -9.407 -9.483 1.00 44.33 N ATOM 0 H ASN A 13 0.872 -7.972 -5.721 1.00 64.41 H new ATOM 0 HA ASN A 13 0.248 -10.820 -5.872 1.00 64.44 H new ATOM 0 HB2 ASN A 13 2.205 -9.090 -7.372 1.00 25.41 H new ATOM 0 HB3 ASN A 13 2.281 -10.840 -7.404 1.00 25.41 H new ATOM 0 HD21 ASN A 13 0.131 -9.402 -10.240 1.00 44.33 H new ATOM 0 HD22 ASN A 13 1.712 -8.937 -9.604 1.00 44.33 H new ATOM 219 N SER A 14 1.677 -11.323 -3.959 1.00 15.33 N ATOM 220 CA SER A 14 2.511 -11.789 -2.884 1.00 43.51 C ATOM 221 C SER A 14 3.816 -12.408 -3.413 1.00 40.11 C ATOM 222 O SER A 14 4.878 -12.238 -2.809 1.00 62.31 O ATOM 223 CB SER A 14 1.715 -12.785 -2.043 1.00 41.50 C ATOM 224 OG SER A 14 0.502 -12.177 -1.597 1.00 22.41 O ATOM 0 H SER A 14 0.757 -11.762 -3.977 1.00 15.33 H new ATOM 0 HA SER A 14 2.803 -10.945 -2.259 1.00 43.51 H new ATOM 0 HB2 SER A 14 1.492 -13.676 -2.631 1.00 41.50 H new ATOM 0 HB3 SER A 14 2.307 -13.108 -1.187 1.00 41.50 H new ATOM 0 HG SER A 14 0.634 -11.210 -1.507 1.00 22.41 H new ATOM 230 N THR A 15 3.738 -13.072 -4.556 1.00 41.22 N ATOM 231 CA THR A 15 4.897 -13.680 -5.180 1.00 32.22 C ATOM 232 C THR A 15 5.906 -12.595 -5.623 1.00 62.14 C ATOM 233 O THR A 15 7.119 -12.803 -5.598 1.00 74.21 O ATOM 234 CB THR A 15 4.457 -14.526 -6.401 1.00 3.52 C ATOM 235 OG1 THR A 15 3.464 -15.467 -5.973 1.00 4.23 O ATOM 236 CG2 THR A 15 5.634 -15.291 -6.999 1.00 12.41 C ATOM 0 H THR A 15 2.869 -13.203 -5.074 1.00 41.22 H new ATOM 0 HA THR A 15 5.384 -14.329 -4.452 1.00 32.22 H new ATOM 0 HB THR A 15 4.059 -13.855 -7.163 1.00 3.52 H new ATOM 0 HG1 THR A 15 3.175 -16.008 -6.737 1.00 4.23 H new ATOM 0 HG21 THR A 15 5.292 -15.875 -7.854 1.00 12.41 H new ATOM 0 HG22 THR A 15 6.399 -14.586 -7.324 1.00 12.41 H new ATOM 0 HG23 THR A 15 6.053 -15.960 -6.247 1.00 12.41 H new ATOM 244 N LYS A 16 5.400 -11.425 -5.981 1.00 23.41 N ATOM 245 CA LYS A 16 6.260 -10.350 -6.460 1.00 24.44 C ATOM 246 C LYS A 16 6.589 -9.346 -5.357 1.00 23.03 C ATOM 247 O LYS A 16 7.458 -8.497 -5.531 1.00 4.33 O ATOM 248 CB LYS A 16 5.589 -9.642 -7.636 1.00 5.43 C ATOM 249 CG LYS A 16 5.429 -10.519 -8.864 1.00 64.14 C ATOM 250 CD LYS A 16 4.675 -9.808 -9.970 1.00 73.34 C ATOM 251 CE LYS A 16 4.627 -10.643 -11.248 1.00 54.44 C ATOM 252 NZ LYS A 16 4.000 -11.970 -11.052 1.00 32.11 N ATOM 0 H LYS A 16 4.407 -11.195 -5.950 1.00 23.41 H new ATOM 0 HA LYS A 16 7.201 -10.793 -6.785 1.00 24.44 H new ATOM 0 HB2 LYS A 16 4.607 -9.287 -7.323 1.00 5.43 H new ATOM 0 HB3 LYS A 16 6.176 -8.763 -7.902 1.00 5.43 H new ATOM 0 HG2 LYS A 16 6.412 -10.817 -9.228 1.00 64.14 H new ATOM 0 HG3 LYS A 16 4.899 -11.432 -8.592 1.00 64.14 H new ATOM 0 HD2 LYS A 16 3.659 -9.592 -9.638 1.00 73.34 H new ATOM 0 HD3 LYS A 16 5.152 -8.850 -10.179 1.00 73.34 H new ATOM 0 HE2 LYS A 16 4.074 -10.096 -12.012 1.00 54.44 H new ATOM 0 HE3 LYS A 16 5.641 -10.779 -11.624 1.00 54.44 H new ATOM 0 HZ1 LYS A 16 3.920 -12.455 -11.969 1.00 32.11 H new ATOM 0 HZ2 LYS A 16 4.587 -12.540 -10.409 1.00 32.11 H new ATOM 0 HZ3 LYS A 16 3.053 -11.849 -10.640 1.00 32.11 H new ATOM 266 N ASN A 17 5.916 -9.482 -4.211 1.00 12.12 N ATOM 267 CA ASN A 17 6.117 -8.585 -3.044 1.00 51.13 C ATOM 268 C ASN A 17 5.675 -7.150 -3.331 1.00 30.43 C ATOM 269 O ASN A 17 6.129 -6.206 -2.658 1.00 31.14 O ATOM 270 CB ASN A 17 7.583 -8.589 -2.526 1.00 72.10 C ATOM 271 CG ASN A 17 8.025 -9.871 -1.818 1.00 14.04 C ATOM 272 OD1 ASN A 17 8.867 -9.826 -0.928 1.00 31.12 O ATOM 273 ND2 ASN A 17 7.482 -11.000 -2.193 1.00 40.54 N ATOM 0 H ASN A 17 5.218 -10.209 -4.055 1.00 12.12 H new ATOM 0 HA ASN A 17 5.481 -8.993 -2.258 1.00 51.13 H new ATOM 0 HB2 ASN A 17 8.249 -8.412 -3.370 1.00 72.10 H new ATOM 0 HB3 ASN A 17 7.710 -7.752 -1.839 1.00 72.10 H new ATOM 0 HD21 ASN A 17 7.757 -11.873 -1.742 1.00 40.54 H new ATOM 0 HD22 ASN A 17 6.784 -11.008 -2.936 1.00 40.54 H new ATOM 280 N PHE A 18 4.780 -6.978 -4.299 1.00 44.42 N ATOM 281 CA PHE A 18 4.248 -5.664 -4.598 1.00 3.32 C ATOM 282 C PHE A 18 2.839 -5.721 -5.163 1.00 32.32 C ATOM 283 O PHE A 18 2.372 -6.771 -5.635 1.00 40.22 O ATOM 284 CB PHE A 18 5.182 -4.793 -5.488 1.00 1.03 C ATOM 285 CG PHE A 18 5.492 -5.322 -6.871 1.00 14.51 C ATOM 286 CD1 PHE A 18 4.595 -5.146 -7.918 1.00 20.13 C ATOM 287 CD2 PHE A 18 6.690 -5.966 -7.128 1.00 23.30 C ATOM 288 CE1 PHE A 18 4.888 -5.606 -9.185 1.00 62.32 C ATOM 289 CE2 PHE A 18 6.988 -6.431 -8.393 1.00 44.34 C ATOM 290 CZ PHE A 18 6.086 -6.250 -9.424 1.00 50.24 C ATOM 0 H PHE A 18 4.413 -7.730 -4.883 1.00 44.42 H new ATOM 0 HA PHE A 18 4.196 -5.160 -3.633 1.00 3.32 H new ATOM 0 HB2 PHE A 18 4.728 -3.808 -5.595 1.00 1.03 H new ATOM 0 HB3 PHE A 18 6.124 -4.654 -4.958 1.00 1.03 H new ATOM 0 HD1 PHE A 18 3.657 -4.643 -7.737 1.00 20.13 H new ATOM 0 HD2 PHE A 18 7.401 -6.107 -6.328 1.00 23.30 H new ATOM 0 HE1 PHE A 18 4.181 -5.463 -9.989 1.00 62.32 H new ATOM 0 HE2 PHE A 18 7.925 -6.936 -8.577 1.00 44.34 H new ATOM 0 HZ PHE A 18 6.318 -6.612 -10.415 1.00 50.24 H new ATOM 300 N GLY A 19 2.181 -4.599 -5.086 1.00 63.32 N ATOM 301 CA GLY A 19 0.847 -4.424 -5.584 1.00 20.25 C ATOM 302 C GLY A 19 0.524 -2.960 -5.622 1.00 2.53 C ATOM 303 O GLY A 19 1.431 -2.143 -5.546 1.00 75.10 O ATOM 0 H GLY A 19 2.570 -3.757 -4.662 1.00 63.32 H new ATOM 0 HA2 GLY A 19 0.759 -4.854 -6.582 1.00 20.25 H new ATOM 0 HA3 GLY A 19 0.136 -4.949 -4.946 1.00 20.25 H new ATOM 307 N PHE A 20 -0.734 -2.612 -5.704 1.00 22.44 N ATOM 308 CA PHE A 20 -1.148 -1.209 -5.726 1.00 62.42 C ATOM 309 C PHE A 20 -2.330 -0.962 -4.823 1.00 55.31 C ATOM 310 O PHE A 20 -3.118 -1.874 -4.547 1.00 54.14 O ATOM 311 CB PHE A 20 -1.468 -0.705 -7.134 1.00 52.21 C ATOM 312 CG PHE A 20 -0.282 -0.411 -8.023 1.00 51.31 C ATOM 313 CD1 PHE A 20 0.417 -1.424 -8.647 1.00 43.00 C ATOM 314 CD2 PHE A 20 0.114 0.900 -8.243 1.00 75.21 C ATOM 315 CE1 PHE A 20 1.489 -1.143 -9.471 1.00 5.15 C ATOM 316 CE2 PHE A 20 1.186 1.190 -9.065 1.00 20.52 C ATOM 317 CZ PHE A 20 1.873 0.165 -9.680 1.00 4.33 C ATOM 0 H PHE A 20 -1.505 -3.278 -5.758 1.00 22.44 H new ATOM 0 HA PHE A 20 -0.291 -0.647 -5.356 1.00 62.42 H new ATOM 0 HB2 PHE A 20 -2.092 -1.448 -7.630 1.00 52.21 H new ATOM 0 HB3 PHE A 20 -2.063 0.204 -7.046 1.00 52.21 H new ATOM 0 HD1 PHE A 20 0.122 -2.451 -8.489 1.00 43.00 H new ATOM 0 HD2 PHE A 20 -0.423 1.706 -7.765 1.00 75.21 H new ATOM 0 HE1 PHE A 20 2.026 -1.947 -9.952 1.00 5.15 H new ATOM 0 HE2 PHE A 20 1.485 2.215 -9.225 1.00 20.52 H new ATOM 0 HZ PHE A 20 2.711 0.386 -10.325 1.00 4.33 H new ATOM 327 N ILE A 21 -2.459 0.271 -4.369 1.00 31.01 N ATOM 328 CA ILE A 21 -3.533 0.672 -3.486 1.00 21.33 C ATOM 329 C ILE A 21 -4.121 2.003 -3.977 1.00 71.32 C ATOM 330 O ILE A 21 -3.386 2.861 -4.460 1.00 24.41 O ATOM 331 CB ILE A 21 -2.997 0.877 -2.031 1.00 74.01 C ATOM 332 CG1 ILE A 21 -2.313 -0.398 -1.507 1.00 21.00 C ATOM 333 CG2 ILE A 21 -4.128 1.291 -1.095 1.00 74.11 C ATOM 334 CD1 ILE A 21 -1.673 -0.240 -0.141 1.00 35.43 C ATOM 0 H ILE A 21 -1.816 1.026 -4.606 1.00 31.01 H new ATOM 0 HA ILE A 21 -4.294 -0.109 -3.486 1.00 21.33 H new ATOM 0 HB ILE A 21 -2.255 1.675 -2.059 1.00 74.01 H new ATOM 0 HG12 ILE A 21 -3.050 -1.200 -1.461 1.00 21.00 H new ATOM 0 HG13 ILE A 21 -1.549 -0.707 -2.221 1.00 21.00 H new ATOM 0 HG21 ILE A 21 -3.735 1.429 -0.088 1.00 74.11 H new ATOM 0 HG22 ILE A 21 -4.566 2.226 -1.445 1.00 74.11 H new ATOM 0 HG23 ILE A 21 -4.893 0.515 -1.083 1.00 74.11 H new ATOM 0 HD11 ILE A 21 -1.213 -1.182 0.156 1.00 35.43 H new ATOM 0 HD12 ILE A 21 -0.911 0.538 -0.184 1.00 35.43 H new ATOM 0 HD13 ILE A 21 -2.435 0.038 0.588 1.00 35.43 H new ATOM 346 N GLU A 22 -5.436 2.139 -3.900 1.00 65.31 N ATOM 347 CA GLU A 22 -6.122 3.388 -4.198 1.00 33.34 C ATOM 348 C GLU A 22 -7.255 3.469 -3.230 1.00 60.41 C ATOM 349 O GLU A 22 -7.779 2.447 -2.849 1.00 43.22 O ATOM 350 CB GLU A 22 -6.732 3.387 -5.609 1.00 42.10 C ATOM 351 CG GLU A 22 -7.838 2.346 -5.787 1.00 32.25 C ATOM 352 CD GLU A 22 -8.538 2.433 -7.098 1.00 42.11 C ATOM 353 OE1 GLU A 22 -9.227 3.427 -7.349 1.00 63.23 O ATOM 354 OE2 GLU A 22 -8.391 1.507 -7.912 1.00 23.40 O ATOM 0 H GLU A 22 -6.062 1.381 -3.627 1.00 65.31 H new ATOM 0 HA GLU A 22 -5.417 4.216 -4.131 1.00 33.34 H new ATOM 0 HB2 GLU A 22 -7.135 4.377 -5.824 1.00 42.10 H new ATOM 0 HB3 GLU A 22 -5.944 3.199 -6.338 1.00 42.10 H new ATOM 0 HG2 GLU A 22 -7.408 1.350 -5.681 1.00 32.25 H new ATOM 0 HG3 GLU A 22 -8.568 2.465 -4.987 1.00 32.25 H new ATOM 361 N GLN A 23 -7.644 4.609 -2.804 1.00 43.25 N ATOM 362 CA GLN A 23 -8.814 4.625 -1.984 1.00 61.22 C ATOM 363 C GLN A 23 -10.012 4.559 -2.838 1.00 71.30 C ATOM 364 O GLN A 23 -9.999 5.008 -3.992 1.00 55.20 O ATOM 365 CB GLN A 23 -8.902 5.791 -1.019 1.00 20.54 C ATOM 366 CG GLN A 23 -9.036 7.136 -1.644 1.00 2.32 C ATOM 367 CD GLN A 23 -9.036 8.206 -0.608 1.00 4.44 C ATOM 368 OE1 GLN A 23 -10.083 8.600 -0.110 1.00 12.11 O ATOM 369 NE2 GLN A 23 -7.881 8.642 -0.241 1.00 72.01 N ATOM 0 H GLN A 23 -7.202 5.509 -2.991 1.00 43.25 H new ATOM 0 HA GLN A 23 -8.749 3.744 -1.345 1.00 61.22 H new ATOM 0 HB2 GLN A 23 -9.755 5.630 -0.360 1.00 20.54 H new ATOM 0 HB3 GLN A 23 -8.010 5.789 -0.392 1.00 20.54 H new ATOM 0 HG2 GLN A 23 -8.215 7.300 -2.342 1.00 2.32 H new ATOM 0 HG3 GLN A 23 -9.960 7.183 -2.221 1.00 2.32 H new ATOM 0 HE21 GLN A 23 -7.036 8.284 -0.685 1.00 72.01 H new ATOM 0 HE22 GLN A 23 -7.812 9.346 0.494 1.00 72.01 H new ATOM 378 N ASP A 24 -11.029 4.001 -2.280 1.00 42.22 N ATOM 379 CA ASP A 24 -12.334 3.835 -2.939 1.00 22.42 C ATOM 380 C ASP A 24 -12.861 5.151 -3.496 1.00 64.31 C ATOM 381 O ASP A 24 -13.564 5.176 -4.501 1.00 55.53 O ATOM 382 CB ASP A 24 -13.334 3.273 -1.957 1.00 3.33 C ATOM 383 CG ASP A 24 -14.707 3.072 -2.565 1.00 12.15 C ATOM 384 OD1 ASP A 24 -14.913 2.085 -3.287 1.00 71.34 O ATOM 385 OD2 ASP A 24 -15.606 3.886 -2.299 1.00 14.03 O ATOM 0 H ASP A 24 -11.004 3.629 -1.330 1.00 42.22 H new ATOM 0 HA ASP A 24 -12.196 3.147 -3.773 1.00 22.42 H new ATOM 0 HB2 ASP A 24 -12.967 2.319 -1.578 1.00 3.33 H new ATOM 0 HB3 ASP A 24 -13.415 3.946 -1.103 1.00 3.33 H new ATOM 390 N ASN A 25 -12.477 6.239 -2.857 1.00 73.12 N ATOM 391 CA ASN A 25 -12.913 7.583 -3.275 1.00 3.14 C ATOM 392 C ASN A 25 -12.168 8.061 -4.529 1.00 40.15 C ATOM 393 O ASN A 25 -12.399 9.170 -5.003 1.00 10.40 O ATOM 394 CB ASN A 25 -12.747 8.634 -2.149 1.00 53.34 C ATOM 395 CG ASN A 25 -13.495 8.289 -0.872 1.00 31.20 C ATOM 396 OD1 ASN A 25 -14.676 8.585 -0.732 1.00 1.33 O ATOM 397 ND2 ASN A 25 -12.796 7.737 0.093 1.00 44.34 N ATOM 0 H ASN A 25 -11.863 6.232 -2.043 1.00 73.12 H new ATOM 0 HA ASN A 25 -13.974 7.490 -3.506 1.00 3.14 H new ATOM 0 HB2 ASN A 25 -11.687 8.743 -1.920 1.00 53.34 H new ATOM 0 HB3 ASN A 25 -13.095 9.601 -2.513 1.00 53.34 H new ATOM 0 HD21 ASN A 25 -13.234 7.542 0.993 1.00 44.34 H new ATOM 0 HD22 ASN A 25 -11.815 7.503 -0.058 1.00 44.34 H new ATOM 404 N GLY A 26 -11.284 7.226 -5.061 1.00 61.45 N ATOM 405 CA GLY A 26 -10.544 7.597 -6.240 1.00 13.14 C ATOM 406 C GLY A 26 -9.190 8.148 -5.882 1.00 74.42 C ATOM 407 O GLY A 26 -8.813 9.237 -6.325 1.00 31.24 O ATOM 0 H GLY A 26 -11.070 6.299 -4.693 1.00 61.45 H new ATOM 0 HA2 GLY A 26 -10.426 6.728 -6.887 1.00 13.14 H new ATOM 0 HA3 GLY A 26 -11.105 8.342 -6.805 1.00 13.14 H new ATOM 411 N GLY A 27 -8.463 7.418 -5.064 1.00 64.12 N ATOM 412 CA GLY A 27 -7.156 7.877 -4.625 1.00 43.02 C ATOM 413 C GLY A 27 -6.092 7.703 -5.695 1.00 22.04 C ATOM 414 O GLY A 27 -6.348 7.091 -6.754 1.00 31.41 O ATOM 0 H GLY A 27 -8.748 6.513 -4.691 1.00 64.12 H new ATOM 0 HA2 GLY A 27 -7.218 8.929 -4.346 1.00 43.02 H new ATOM 0 HA3 GLY A 27 -6.862 7.327 -3.731 1.00 43.02 H new ATOM 418 N LYS A 28 -4.919 8.236 -5.441 1.00 12.34 N ATOM 419 CA LYS A 28 -3.824 8.148 -6.380 1.00 15.03 C ATOM 420 C LYS A 28 -3.249 6.754 -6.479 1.00 41.35 C ATOM 421 O LYS A 28 -3.478 5.907 -5.618 1.00 50.41 O ATOM 422 CB LYS A 28 -2.732 9.167 -6.081 1.00 41.22 C ATOM 423 CG LYS A 28 -3.150 10.595 -6.354 1.00 22.31 C ATOM 424 CD LYS A 28 -2.028 11.553 -6.064 1.00 44.32 C ATOM 425 CE LYS A 28 -2.416 12.972 -6.436 1.00 25.24 C ATOM 426 NZ LYS A 28 -1.344 13.945 -6.152 1.00 13.43 N ATOM 0 H LYS A 28 -4.697 8.740 -4.583 1.00 12.34 H new ATOM 0 HA LYS A 28 -4.248 8.389 -7.355 1.00 15.03 H new ATOM 0 HB2 LYS A 28 -2.437 9.076 -5.035 1.00 41.22 H new ATOM 0 HB3 LYS A 28 -1.853 8.933 -6.681 1.00 41.22 H new ATOM 0 HG2 LYS A 28 -3.457 10.694 -7.395 1.00 22.31 H new ATOM 0 HG3 LYS A 28 -4.015 10.847 -5.741 1.00 22.31 H new ATOM 0 HD2 LYS A 28 -1.771 11.508 -5.006 1.00 44.32 H new ATOM 0 HD3 LYS A 28 -1.139 11.257 -6.621 1.00 44.32 H new ATOM 0 HE2 LYS A 28 -2.665 13.011 -7.496 1.00 25.24 H new ATOM 0 HE3 LYS A 28 -3.314 13.255 -5.887 1.00 25.24 H new ATOM 0 HZ1 LYS A 28 -1.659 14.898 -6.424 1.00 13.43 H new ATOM 0 HZ2 LYS A 28 -1.122 13.930 -5.136 1.00 13.43 H new ATOM 0 HZ3 LYS A 28 -0.494 13.693 -6.696 1.00 13.43 H new ATOM 440 N ASP A 29 -2.511 6.525 -7.535 1.00 41.41 N ATOM 441 CA ASP A 29 -1.914 5.241 -7.787 1.00 33.44 C ATOM 442 C ASP A 29 -0.581 5.136 -7.107 1.00 30.43 C ATOM 443 O ASP A 29 0.434 5.661 -7.591 1.00 45.22 O ATOM 444 CB ASP A 29 -1.784 4.957 -9.293 1.00 33.35 C ATOM 445 CG ASP A 29 -3.122 4.833 -9.984 1.00 34.50 C ATOM 446 OD1 ASP A 29 -3.700 5.869 -10.396 1.00 11.23 O ATOM 447 OD2 ASP A 29 -3.629 3.710 -10.113 1.00 1.34 O ATOM 0 H ASP A 29 -2.307 7.227 -8.246 1.00 41.41 H new ATOM 0 HA ASP A 29 -2.577 4.483 -7.370 1.00 33.44 H new ATOM 0 HB2 ASP A 29 -1.212 5.758 -9.761 1.00 33.35 H new ATOM 0 HB3 ASP A 29 -1.219 4.036 -9.437 1.00 33.35 H new ATOM 452 N VAL A 30 -0.593 4.527 -5.968 1.00 63.52 N ATOM 453 CA VAL A 30 0.593 4.284 -5.205 1.00 24.21 C ATOM 454 C VAL A 30 0.792 2.784 -5.061 1.00 3.25 C ATOM 455 O VAL A 30 -0.174 2.042 -4.804 1.00 63.45 O ATOM 456 CB VAL A 30 0.553 5.019 -3.811 1.00 21.35 C ATOM 457 CG1 VAL A 30 -0.716 4.727 -3.047 1.00 20.02 C ATOM 458 CG2 VAL A 30 1.734 4.636 -2.955 1.00 12.05 C ATOM 0 H VAL A 30 -1.444 4.176 -5.530 1.00 63.52 H new ATOM 0 HA VAL A 30 1.451 4.700 -5.734 1.00 24.21 H new ATOM 0 HB VAL A 30 0.590 6.086 -4.032 1.00 21.35 H new ATOM 0 HG11 VAL A 30 -0.697 5.256 -2.094 1.00 20.02 H new ATOM 0 HG12 VAL A 30 -1.576 5.059 -3.629 1.00 20.02 H new ATOM 0 HG13 VAL A 30 -0.793 3.655 -2.866 1.00 20.02 H new ATOM 0 HG21 VAL A 30 1.677 5.160 -2.001 1.00 12.05 H new ATOM 0 HG22 VAL A 30 1.723 3.560 -2.780 1.00 12.05 H new ATOM 0 HG23 VAL A 30 2.657 4.911 -3.465 1.00 12.05 H new ATOM 468 N PHE A 31 2.007 2.325 -5.265 1.00 63.14 N ATOM 469 CA PHE A 31 2.266 0.916 -5.181 1.00 0.40 C ATOM 470 C PHE A 31 2.657 0.518 -3.789 1.00 64.23 C ATOM 471 O PHE A 31 3.212 1.304 -3.049 1.00 10.20 O ATOM 472 CB PHE A 31 3.288 0.424 -6.234 1.00 11.21 C ATOM 473 CG PHE A 31 4.672 1.014 -6.178 1.00 54.22 C ATOM 474 CD1 PHE A 31 4.972 2.178 -6.864 1.00 64.13 C ATOM 475 CD2 PHE A 31 5.681 0.386 -5.462 1.00 53.41 C ATOM 476 CE1 PHE A 31 6.245 2.709 -6.831 1.00 73.53 C ATOM 477 CE2 PHE A 31 6.957 0.910 -5.431 1.00 10.14 C ATOM 478 CZ PHE A 31 7.239 2.074 -6.116 1.00 63.10 C ATOM 0 H PHE A 31 2.818 2.903 -5.487 1.00 63.14 H new ATOM 0 HA PHE A 31 1.330 0.412 -5.420 1.00 0.40 H new ATOM 0 HB2 PHE A 31 3.378 -0.658 -6.138 1.00 11.21 H new ATOM 0 HB3 PHE A 31 2.876 0.623 -7.223 1.00 11.21 H new ATOM 0 HD1 PHE A 31 4.200 2.677 -7.432 1.00 64.13 H new ATOM 0 HD2 PHE A 31 5.465 -0.524 -4.922 1.00 53.41 H new ATOM 0 HE1 PHE A 31 6.463 3.622 -7.365 1.00 73.53 H new ATOM 0 HE2 PHE A 31 7.734 0.410 -4.872 1.00 10.14 H new ATOM 0 HZ PHE A 31 8.237 2.487 -6.092 1.00 63.10 H new ATOM 488 N VAL A 32 2.348 -0.674 -3.429 1.00 12.20 N ATOM 489 CA VAL A 32 2.684 -1.177 -2.137 1.00 43.21 C ATOM 490 C VAL A 32 3.764 -2.234 -2.268 1.00 25.51 C ATOM 491 O VAL A 32 3.641 -3.172 -3.046 1.00 2.23 O ATOM 492 CB VAL A 32 1.434 -1.727 -1.373 1.00 10.33 C ATOM 493 CG1 VAL A 32 0.713 -2.821 -2.147 1.00 41.42 C ATOM 494 CG2 VAL A 32 1.813 -2.222 0.007 1.00 10.12 C ATOM 0 H VAL A 32 1.851 -1.337 -4.023 1.00 12.20 H new ATOM 0 HA VAL A 32 3.067 -0.350 -1.538 1.00 43.21 H new ATOM 0 HB VAL A 32 0.742 -0.891 -1.270 1.00 10.33 H new ATOM 0 HG11 VAL A 32 -0.146 -3.167 -1.572 1.00 41.42 H new ATOM 0 HG12 VAL A 32 0.374 -2.426 -3.105 1.00 41.42 H new ATOM 0 HG13 VAL A 32 1.394 -3.654 -2.319 1.00 41.42 H new ATOM 0 HG21 VAL A 32 0.925 -2.598 0.515 1.00 10.12 H new ATOM 0 HG22 VAL A 32 2.547 -3.023 -0.083 1.00 10.12 H new ATOM 0 HG23 VAL A 32 2.240 -1.401 0.583 1.00 10.12 H new ATOM 504 N HIS A 33 4.834 -2.045 -1.558 1.00 33.51 N ATOM 505 CA HIS A 33 5.919 -2.994 -1.555 1.00 64.11 C ATOM 506 C HIS A 33 5.928 -3.705 -0.210 1.00 13.23 C ATOM 507 O HIS A 33 5.496 -3.136 0.781 1.00 61.04 O ATOM 508 CB HIS A 33 7.264 -2.280 -1.830 1.00 41.33 C ATOM 509 CG HIS A 33 8.416 -3.222 -1.851 1.00 51.31 C ATOM 510 ND1 HIS A 33 8.471 -4.285 -2.692 1.00 42.24 N ATOM 511 CD2 HIS A 33 9.491 -3.323 -1.059 1.00 33.03 C ATOM 512 CE1 HIS A 33 9.510 -5.002 -2.410 1.00 1.24 C ATOM 513 NE2 HIS A 33 10.156 -4.441 -1.428 1.00 25.43 N ATOM 0 H HIS A 33 4.985 -1.231 -0.963 1.00 33.51 H new ATOM 0 HA HIS A 33 5.781 -3.729 -2.348 1.00 64.11 H new ATOM 0 HB2 HIS A 33 7.207 -1.760 -2.786 1.00 41.33 H new ATOM 0 HB3 HIS A 33 7.432 -1.522 -1.065 1.00 41.33 H new ATOM 0 HD2 HIS A 33 9.774 -2.639 -0.272 1.00 33.03 H new ATOM 0 HE1 HIS A 33 9.795 -5.917 -2.908 1.00 1.24 H new ATOM 0 HE2 HIS A 33 11.019 -4.787 -1.008 1.00 25.43 H new ATOM 522 N LYS A 34 6.436 -4.937 -0.173 1.00 74.11 N ATOM 523 CA LYS A 34 6.425 -5.742 1.049 1.00 3.31 C ATOM 524 C LYS A 34 7.210 -5.101 2.197 1.00 64.11 C ATOM 525 O LYS A 34 7.049 -5.478 3.329 1.00 65.11 O ATOM 526 CB LYS A 34 6.842 -7.198 0.792 1.00 2.24 C ATOM 527 CG LYS A 34 6.717 -8.100 2.021 1.00 12.10 C ATOM 528 CD LYS A 34 6.923 -9.537 1.669 1.00 11.32 C ATOM 529 CE LYS A 34 6.832 -10.449 2.885 1.00 22.45 C ATOM 530 NZ LYS A 34 7.887 -10.182 3.886 1.00 50.24 N ATOM 0 H LYS A 34 6.861 -5.400 -0.976 1.00 74.11 H new ATOM 0 HA LYS A 34 5.387 -5.769 1.380 1.00 3.31 H new ATOM 0 HB2 LYS A 34 6.228 -7.606 -0.011 1.00 2.24 H new ATOM 0 HB3 LYS A 34 7.875 -7.215 0.444 1.00 2.24 H new ATOM 0 HG2 LYS A 34 7.449 -7.799 2.770 1.00 12.10 H new ATOM 0 HG3 LYS A 34 5.732 -7.972 2.469 1.00 12.10 H new ATOM 0 HD2 LYS A 34 6.177 -9.839 0.934 1.00 11.32 H new ATOM 0 HD3 LYS A 34 7.899 -9.657 1.200 1.00 11.32 H new ATOM 0 HE2 LYS A 34 5.855 -10.326 3.353 1.00 22.45 H new ATOM 0 HE3 LYS A 34 6.901 -11.487 2.560 1.00 22.45 H new ATOM 0 HZ1 LYS A 34 7.882 -10.934 4.604 1.00 50.24 H new ATOM 0 HZ2 LYS A 34 8.814 -10.159 3.415 1.00 50.24 H new ATOM 0 HZ3 LYS A 34 7.708 -9.265 4.343 1.00 50.24 H new ATOM 544 N SER A 35 8.046 -4.124 1.894 1.00 42.51 N ATOM 545 CA SER A 35 8.712 -3.331 2.947 1.00 4.34 C ATOM 546 C SER A 35 7.648 -2.643 3.849 1.00 50.23 C ATOM 547 O SER A 35 7.887 -2.375 5.030 1.00 2.10 O ATOM 548 CB SER A 35 9.664 -2.291 2.322 1.00 53.44 C ATOM 549 OG SER A 35 10.380 -1.565 3.307 1.00 51.30 O ATOM 0 H SER A 35 8.287 -3.852 0.941 1.00 42.51 H new ATOM 0 HA SER A 35 9.309 -3.999 3.568 1.00 4.34 H new ATOM 0 HB2 SER A 35 10.368 -2.796 1.661 1.00 53.44 H new ATOM 0 HB3 SER A 35 9.090 -1.598 1.707 1.00 53.44 H new ATOM 0 HG SER A 35 10.973 -0.918 2.870 1.00 51.30 H new ATOM 555 N ALA A 36 6.471 -2.397 3.290 1.00 15.43 N ATOM 556 CA ALA A 36 5.378 -1.825 4.039 1.00 71.13 C ATOM 557 C ALA A 36 4.746 -2.876 4.909 1.00 43.22 C ATOM 558 O ALA A 36 4.300 -2.593 6.027 1.00 63.43 O ATOM 559 CB ALA A 36 4.361 -1.273 3.125 1.00 44.02 C ATOM 0 H ALA A 36 6.255 -2.589 2.312 1.00 15.43 H new ATOM 0 HA ALA A 36 5.771 -1.022 4.663 1.00 71.13 H new ATOM 0 HB1 ALA A 36 3.544 -0.846 3.706 1.00 44.02 H new ATOM 0 HB2 ALA A 36 4.811 -0.497 2.506 1.00 44.02 H new ATOM 0 HB3 ALA A 36 3.976 -2.068 2.487 1.00 44.02 H new ATOM 565 N VAL A 37 4.688 -4.095 4.380 1.00 51.25 N ATOM 566 CA VAL A 37 4.245 -5.236 5.143 1.00 2.13 C ATOM 567 C VAL A 37 5.220 -5.442 6.258 1.00 63.42 C ATOM 568 O VAL A 37 4.842 -5.532 7.382 1.00 71.13 O ATOM 569 CB VAL A 37 4.168 -6.539 4.291 1.00 61.34 C ATOM 570 CG1 VAL A 37 3.880 -7.741 5.189 1.00 22.15 C ATOM 571 CG2 VAL A 37 3.075 -6.415 3.234 1.00 62.43 C ATOM 0 H VAL A 37 4.947 -4.309 3.417 1.00 51.25 H new ATOM 0 HA VAL A 37 3.238 -5.034 5.508 1.00 2.13 H new ATOM 0 HB VAL A 37 5.128 -6.685 3.796 1.00 61.34 H new ATOM 0 HG11 VAL A 37 3.829 -8.645 4.582 1.00 22.15 H new ATOM 0 HG12 VAL A 37 4.676 -7.844 5.926 1.00 22.15 H new ATOM 0 HG13 VAL A 37 2.929 -7.593 5.701 1.00 22.15 H new ATOM 0 HG21 VAL A 37 3.032 -7.332 2.646 1.00 62.43 H new ATOM 0 HG22 VAL A 37 2.114 -6.251 3.722 1.00 62.43 H new ATOM 0 HG23 VAL A 37 3.297 -5.573 2.578 1.00 62.43 H new ATOM 581 N ASP A 38 6.486 -5.443 5.901 1.00 51.01 N ATOM 582 CA ASP A 38 7.613 -5.624 6.818 1.00 2.32 C ATOM 583 C ASP A 38 7.587 -4.589 7.939 1.00 21.41 C ATOM 584 O ASP A 38 8.056 -4.850 9.043 1.00 13.25 O ATOM 585 CB ASP A 38 8.923 -5.520 6.029 1.00 3.13 C ATOM 586 CG ASP A 38 10.161 -5.720 6.867 1.00 13.53 C ATOM 587 OD1 ASP A 38 10.541 -6.884 7.119 1.00 64.12 O ATOM 588 OD2 ASP A 38 10.798 -4.724 7.250 1.00 41.44 O ATOM 0 H ASP A 38 6.779 -5.314 4.933 1.00 51.01 H new ATOM 0 HA ASP A 38 7.536 -6.609 7.278 1.00 2.32 H new ATOM 0 HB2 ASP A 38 8.914 -6.261 5.230 1.00 3.13 H new ATOM 0 HB3 ASP A 38 8.972 -4.540 5.554 1.00 3.13 H new ATOM 593 N ALA A 39 7.014 -3.420 7.655 1.00 34.31 N ATOM 594 CA ALA A 39 6.890 -2.368 8.658 1.00 3.11 C ATOM 595 C ALA A 39 5.958 -2.773 9.829 1.00 32.33 C ATOM 596 O ALA A 39 6.057 -2.213 10.926 1.00 2.13 O ATOM 597 CB ALA A 39 6.410 -1.078 8.021 1.00 22.54 C ATOM 0 H ALA A 39 6.630 -3.180 6.741 1.00 34.31 H new ATOM 0 HA ALA A 39 7.883 -2.211 9.078 1.00 3.11 H new ATOM 0 HB1 ALA A 39 6.324 -0.305 8.785 1.00 22.54 H new ATOM 0 HB2 ALA A 39 7.124 -0.759 7.262 1.00 22.54 H new ATOM 0 HB3 ALA A 39 5.437 -1.241 7.558 1.00 22.54 H new ATOM 603 N ALA A 40 5.049 -3.723 9.596 1.00 61.51 N ATOM 604 CA ALA A 40 4.122 -4.162 10.660 1.00 61.24 C ATOM 605 C ALA A 40 4.055 -5.701 10.796 1.00 63.12 C ATOM 606 O ALA A 40 3.752 -6.227 11.865 1.00 70.32 O ATOM 607 CB ALA A 40 2.733 -3.596 10.408 1.00 51.43 C ATOM 0 H ALA A 40 4.930 -4.199 8.702 1.00 61.51 H new ATOM 0 HA ALA A 40 4.511 -3.777 11.603 1.00 61.24 H new ATOM 0 HB1 ALA A 40 2.057 -3.925 11.197 1.00 51.43 H new ATOM 0 HB2 ALA A 40 2.780 -2.507 10.401 1.00 51.43 H new ATOM 0 HB3 ALA A 40 2.365 -3.950 9.445 1.00 51.43 H new ATOM 613 N GLY A 41 4.380 -6.389 9.730 1.00 31.22 N ATOM 614 CA GLY A 41 4.270 -7.829 9.659 1.00 50.03 C ATOM 615 C GLY A 41 2.854 -8.234 9.335 1.00 23.10 C ATOM 616 O GLY A 41 2.260 -9.089 10.002 1.00 22.41 O ATOM 0 H GLY A 41 4.733 -5.961 8.874 1.00 31.22 H new ATOM 0 HA2 GLY A 41 4.948 -8.215 8.898 1.00 50.03 H new ATOM 0 HA3 GLY A 41 4.573 -8.270 10.609 1.00 50.03 H new ATOM 620 N LEU A 42 2.317 -7.596 8.319 1.00 3.41 N ATOM 621 CA LEU A 42 0.967 -7.818 7.864 1.00 61.15 C ATOM 622 C LEU A 42 0.929 -9.210 7.185 1.00 75.51 C ATOM 623 O LEU A 42 1.767 -9.514 6.350 1.00 51.03 O ATOM 624 CB LEU A 42 0.634 -6.696 6.857 1.00 72.14 C ATOM 625 CG LEU A 42 -0.819 -6.218 6.761 1.00 72.00 C ATOM 626 CD1 LEU A 42 -1.772 -7.326 6.399 1.00 32.21 C ATOM 627 CD2 LEU A 42 -1.239 -5.524 8.049 1.00 11.43 C ATOM 0 H LEU A 42 2.819 -6.894 7.776 1.00 3.41 H new ATOM 0 HA LEU A 42 0.239 -7.799 8.675 1.00 61.15 H new ATOM 0 HB2 LEU A 42 1.253 -5.833 7.103 1.00 72.14 H new ATOM 0 HB3 LEU A 42 0.939 -7.035 5.867 1.00 72.14 H new ATOM 0 HG LEU A 42 -0.867 -5.496 5.946 1.00 72.00 H new ATOM 0 HD11 LEU A 42 -2.786 -6.930 6.345 1.00 32.21 H new ATOM 0 HD12 LEU A 42 -1.494 -7.744 5.432 1.00 32.21 H new ATOM 0 HD13 LEU A 42 -1.727 -8.107 7.158 1.00 32.21 H new ATOM 0 HD21 LEU A 42 -2.273 -5.191 7.962 1.00 11.43 H new ATOM 0 HD22 LEU A 42 -1.150 -6.220 8.883 1.00 11.43 H new ATOM 0 HD23 LEU A 42 -0.594 -4.663 8.225 1.00 11.43 H new ATOM 639 N HIS A 43 -0.023 -10.042 7.552 1.00 43.43 N ATOM 640 CA HIS A 43 -0.057 -11.421 7.041 1.00 33.43 C ATOM 641 C HIS A 43 -0.298 -11.523 5.544 1.00 34.34 C ATOM 642 O HIS A 43 0.430 -12.231 4.853 1.00 63.41 O ATOM 643 CB HIS A 43 -1.026 -12.320 7.824 1.00 41.34 C ATOM 644 CG HIS A 43 -0.617 -12.550 9.249 1.00 74.41 C ATOM 645 ND1 HIS A 43 -1.189 -11.895 10.320 1.00 44.11 N ATOM 646 CD2 HIS A 43 0.311 -13.380 9.777 1.00 1.23 C ATOM 647 CE1 HIS A 43 -0.630 -12.309 11.435 1.00 44.33 C ATOM 648 NE2 HIS A 43 0.279 -13.211 11.134 1.00 20.22 N ATOM 0 H HIS A 43 -0.780 -9.804 8.193 1.00 43.43 H new ATOM 0 HA HIS A 43 0.952 -11.797 7.210 1.00 33.43 H new ATOM 0 HB2 HIS A 43 -2.019 -11.870 7.808 1.00 41.34 H new ATOM 0 HB3 HIS A 43 -1.104 -13.282 7.318 1.00 41.34 H new ATOM 0 HD2 HIS A 43 0.957 -14.051 9.230 1.00 1.23 H new ATOM 0 HE1 HIS A 43 -0.875 -11.967 12.430 1.00 44.33 H new ATOM 0 HE2 HIS A 43 0.866 -13.706 11.805 1.00 20.22 H new ATOM 657 N SER A 44 -1.279 -10.816 5.035 1.00 74.43 N ATOM 658 CA SER A 44 -1.600 -10.911 3.628 1.00 32.03 C ATOM 659 C SER A 44 -2.372 -9.693 3.162 1.00 72.30 C ATOM 660 O SER A 44 -2.943 -8.976 3.973 1.00 12.32 O ATOM 661 CB SER A 44 -2.416 -12.187 3.374 1.00 51.21 C ATOM 662 OG SER A 44 -3.597 -12.217 4.192 1.00 32.42 O ATOM 0 H SER A 44 -1.865 -10.173 5.568 1.00 74.43 H new ATOM 0 HA SER A 44 -0.670 -10.955 3.060 1.00 32.03 H new ATOM 0 HB2 SER A 44 -2.697 -12.239 2.322 1.00 51.21 H new ATOM 0 HB3 SER A 44 -1.802 -13.063 3.584 1.00 51.21 H new ATOM 0 HG SER A 44 -4.100 -13.038 4.010 1.00 32.42 H new ATOM 668 N LEU A 45 -2.379 -9.464 1.872 1.00 44.25 N ATOM 669 CA LEU A 45 -3.146 -8.388 1.289 1.00 53.21 C ATOM 670 C LEU A 45 -3.890 -8.929 0.108 1.00 32.42 C ATOM 671 O LEU A 45 -3.380 -9.792 -0.615 1.00 4.21 O ATOM 672 CB LEU A 45 -2.256 -7.249 0.807 1.00 32.00 C ATOM 673 CG LEU A 45 -1.364 -6.558 1.839 1.00 13.01 C ATOM 674 CD1 LEU A 45 -0.480 -5.541 1.146 1.00 73.00 C ATOM 675 CD2 LEU A 45 -2.213 -5.870 2.905 1.00 22.02 C ATOM 0 H LEU A 45 -1.853 -10.018 1.195 1.00 44.25 H new ATOM 0 HA LEU A 45 -3.819 -7.997 2.053 1.00 53.21 H new ATOM 0 HB2 LEU A 45 -1.615 -7.637 0.015 1.00 32.00 H new ATOM 0 HB3 LEU A 45 -2.896 -6.491 0.356 1.00 32.00 H new ATOM 0 HG LEU A 45 -0.741 -7.309 2.325 1.00 13.01 H new ATOM 0 HD11 LEU A 45 0.155 -5.049 1.883 1.00 73.00 H new ATOM 0 HD12 LEU A 45 0.144 -6.044 0.407 1.00 73.00 H new ATOM 0 HD13 LEU A 45 -1.102 -4.797 0.649 1.00 73.00 H new ATOM 0 HD21 LEU A 45 -1.562 -5.384 3.631 1.00 22.02 H new ATOM 0 HD22 LEU A 45 -2.853 -5.124 2.435 1.00 22.02 H new ATOM 0 HD23 LEU A 45 -2.831 -6.611 3.412 1.00 22.02 H new ATOM 687 N GLU A 46 -5.067 -8.461 -0.069 1.00 14.54 N ATOM 688 CA GLU A 46 -5.910 -8.820 -1.175 1.00 65.24 C ATOM 689 C GLU A 46 -6.836 -7.687 -1.479 1.00 13.43 C ATOM 690 O GLU A 46 -7.026 -6.793 -0.647 1.00 2.12 O ATOM 691 CB GLU A 46 -6.707 -10.134 -0.954 1.00 11.12 C ATOM 692 CG GLU A 46 -7.565 -10.213 0.314 1.00 71.54 C ATOM 693 CD GLU A 46 -6.748 -10.331 1.583 1.00 61.34 C ATOM 694 OE1 GLU A 46 -6.359 -11.468 1.940 1.00 11.51 O ATOM 695 OE2 GLU A 46 -6.488 -9.317 2.240 1.00 15.34 O ATOM 0 H GLU A 46 -5.498 -7.792 0.569 1.00 14.54 H new ATOM 0 HA GLU A 46 -5.256 -9.014 -2.025 1.00 65.24 H new ATOM 0 HB2 GLU A 46 -7.358 -10.286 -1.815 1.00 11.12 H new ATOM 0 HB3 GLU A 46 -5.999 -10.963 -0.938 1.00 11.12 H new ATOM 0 HG2 GLU A 46 -8.193 -9.324 0.376 1.00 71.54 H new ATOM 0 HG3 GLU A 46 -8.233 -11.071 0.239 1.00 71.54 H new ATOM 702 N GLU A 47 -7.410 -7.714 -2.647 1.00 41.14 N ATOM 703 CA GLU A 47 -8.290 -6.673 -3.085 1.00 65.01 C ATOM 704 C GLU A 47 -9.568 -6.631 -2.295 1.00 43.22 C ATOM 705 O GLU A 47 -10.024 -7.648 -1.745 1.00 24.34 O ATOM 706 CB GLU A 47 -8.591 -6.733 -4.582 1.00 24.32 C ATOM 707 CG GLU A 47 -9.050 -8.082 -5.117 1.00 50.11 C ATOM 708 CD GLU A 47 -7.909 -9.052 -5.341 1.00 53.25 C ATOM 709 OE1 GLU A 47 -7.506 -9.760 -4.391 1.00 51.45 O ATOM 710 OE2 GLU A 47 -7.383 -9.095 -6.468 1.00 43.11 O ATOM 0 H GLU A 47 -7.279 -8.464 -3.326 1.00 41.14 H new ATOM 0 HA GLU A 47 -7.747 -5.746 -2.899 1.00 65.01 H new ATOM 0 HB2 GLU A 47 -9.360 -5.994 -4.808 1.00 24.32 H new ATOM 0 HB3 GLU A 47 -7.694 -6.435 -5.125 1.00 24.32 H new ATOM 0 HG2 GLU A 47 -9.760 -8.521 -4.416 1.00 50.11 H new ATOM 0 HG3 GLU A 47 -9.581 -7.932 -6.057 1.00 50.11 H new ATOM 717 N GLY A 48 -10.142 -5.460 -2.241 1.00 13.34 N ATOM 718 CA GLY A 48 -11.361 -5.242 -1.497 1.00 72.35 C ATOM 719 C GLY A 48 -11.092 -4.819 -0.072 1.00 21.15 C ATOM 720 O GLY A 48 -11.977 -4.313 0.605 1.00 40.42 O ATOM 0 H GLY A 48 -9.782 -4.629 -2.709 1.00 13.34 H new ATOM 0 HA2 GLY A 48 -11.957 -4.477 -1.995 1.00 72.35 H new ATOM 0 HA3 GLY A 48 -11.953 -6.157 -1.497 1.00 72.35 H new ATOM 724 N GLN A 49 -9.876 -5.022 0.380 1.00 41.40 N ATOM 725 CA GLN A 49 -9.481 -4.654 1.716 1.00 41.14 C ATOM 726 C GLN A 49 -9.092 -3.211 1.785 1.00 62.45 C ATOM 727 O GLN A 49 -8.237 -2.757 1.021 1.00 54.15 O ATOM 728 CB GLN A 49 -8.322 -5.531 2.179 1.00 24.40 C ATOM 729 CG GLN A 49 -8.725 -6.942 2.568 1.00 41.34 C ATOM 730 CD GLN A 49 -9.260 -7.076 4.001 1.00 32.31 C ATOM 731 OE1 GLN A 49 -9.125 -8.127 4.620 1.00 50.24 O ATOM 732 NE2 GLN A 49 -9.841 -6.035 4.544 1.00 4.41 N ATOM 0 H GLN A 49 -9.132 -5.449 -0.172 1.00 41.40 H new ATOM 0 HA GLN A 49 -10.334 -4.808 2.377 1.00 41.14 H new ATOM 0 HB2 GLN A 49 -7.580 -5.584 1.382 1.00 24.40 H new ATOM 0 HB3 GLN A 49 -7.839 -5.055 3.032 1.00 24.40 H new ATOM 0 HG2 GLN A 49 -9.488 -7.293 1.874 1.00 41.34 H new ATOM 0 HG3 GLN A 49 -7.862 -7.598 2.452 1.00 41.34 H new ATOM 0 HE21 GLN A 49 -9.942 -5.172 4.011 1.00 4.41 H new ATOM 0 HE22 GLN A 49 -10.192 -6.088 5.500 1.00 4.41 H new ATOM 741 N ASP A 50 -9.723 -2.487 2.672 1.00 43.23 N ATOM 742 CA ASP A 50 -9.338 -1.117 2.909 1.00 51.24 C ATOM 743 C ASP A 50 -8.126 -1.144 3.758 1.00 64.02 C ATOM 744 O ASP A 50 -8.069 -1.871 4.765 1.00 35.24 O ATOM 745 CB ASP A 50 -10.411 -0.285 3.606 1.00 40.41 C ATOM 746 CG ASP A 50 -11.694 -0.164 2.846 1.00 52.35 C ATOM 747 OD1 ASP A 50 -11.811 0.722 1.965 1.00 41.11 O ATOM 748 OD2 ASP A 50 -12.618 -0.929 3.154 1.00 14.34 O ATOM 0 H ASP A 50 -10.502 -2.819 3.241 1.00 43.23 H new ATOM 0 HA ASP A 50 -9.169 -0.645 1.941 1.00 51.24 H new ATOM 0 HB2 ASP A 50 -10.621 -0.728 4.580 1.00 40.41 H new ATOM 0 HB3 ASP A 50 -10.016 0.714 3.789 1.00 40.41 H new ATOM 753 N VAL A 51 -7.177 -0.387 3.399 1.00 44.22 N ATOM 754 CA VAL A 51 -5.950 -0.407 4.065 1.00 62.11 C ATOM 755 C VAL A 51 -5.468 1.004 4.332 1.00 31.31 C ATOM 756 O VAL A 51 -5.734 1.937 3.574 1.00 52.24 O ATOM 757 CB VAL A 51 -4.910 -1.249 3.284 1.00 14.54 C ATOM 758 CG1 VAL A 51 -4.580 -0.651 1.913 1.00 45.20 C ATOM 759 CG2 VAL A 51 -3.671 -1.515 4.120 1.00 15.41 C ATOM 0 H VAL A 51 -7.231 0.273 2.624 1.00 44.22 H new ATOM 0 HA VAL A 51 -6.083 -0.891 5.033 1.00 62.11 H new ATOM 0 HB VAL A 51 -5.369 -2.216 3.080 1.00 14.54 H new ATOM 0 HG11 VAL A 51 -3.847 -1.280 1.409 1.00 45.20 H new ATOM 0 HG12 VAL A 51 -5.487 -0.598 1.311 1.00 45.20 H new ATOM 0 HG13 VAL A 51 -4.171 0.351 2.042 1.00 45.20 H new ATOM 0 HG21 VAL A 51 -2.962 -2.108 3.542 1.00 15.41 H new ATOM 0 HG22 VAL A 51 -3.209 -0.568 4.398 1.00 15.41 H new ATOM 0 HG23 VAL A 51 -3.950 -2.061 5.021 1.00 15.41 H new ATOM 769 N ILE A 52 -4.803 1.135 5.413 1.00 44.31 N ATOM 770 CA ILE A 52 -4.284 2.373 5.891 1.00 2.33 C ATOM 771 C ILE A 52 -2.782 2.306 5.750 1.00 34.43 C ATOM 772 O ILE A 52 -2.166 1.298 6.117 1.00 54.35 O ATOM 773 CB ILE A 52 -4.624 2.546 7.398 1.00 70.33 C ATOM 774 CG1 ILE A 52 -6.137 2.410 7.629 1.00 73.55 C ATOM 775 CG2 ILE A 52 -4.118 3.894 7.919 1.00 71.34 C ATOM 776 CD1 ILE A 52 -6.536 2.411 9.092 1.00 23.34 C ATOM 0 H ILE A 52 -4.590 0.348 6.026 1.00 44.31 H new ATOM 0 HA ILE A 52 -4.711 3.205 5.330 1.00 2.33 H new ATOM 0 HB ILE A 52 -4.119 1.756 7.954 1.00 70.33 H new ATOM 0 HG12 ILE A 52 -6.647 3.229 7.122 1.00 73.55 H new ATOM 0 HG13 ILE A 52 -6.484 1.485 7.168 1.00 73.55 H new ATOM 0 HG21 ILE A 52 -4.367 3.993 8.975 1.00 71.34 H new ATOM 0 HG22 ILE A 52 -3.037 3.949 7.795 1.00 71.34 H new ATOM 0 HG23 ILE A 52 -4.589 4.701 7.358 1.00 71.34 H new ATOM 0 HD11 ILE A 52 -7.618 2.312 9.174 1.00 23.34 H new ATOM 0 HD12 ILE A 52 -6.055 1.576 9.601 1.00 23.34 H new ATOM 0 HD13 ILE A 52 -6.222 3.347 9.554 1.00 23.34 H new ATOM 788 N PHE A 53 -2.199 3.324 5.204 1.00 41.43 N ATOM 789 CA PHE A 53 -0.760 3.355 5.054 1.00 12.41 C ATOM 790 C PHE A 53 -0.271 4.760 5.168 1.00 11.35 C ATOM 791 O PHE A 53 -1.065 5.682 5.344 1.00 21.02 O ATOM 792 CB PHE A 53 -0.335 2.765 3.689 1.00 65.13 C ATOM 793 CG PHE A 53 -0.948 3.449 2.491 1.00 72.10 C ATOM 794 CD1 PHE A 53 -2.212 3.105 2.046 1.00 71.32 C ATOM 795 CD2 PHE A 53 -0.248 4.428 1.799 1.00 21.42 C ATOM 796 CE1 PHE A 53 -2.759 3.712 0.948 1.00 51.25 C ATOM 797 CE2 PHE A 53 -0.796 5.036 0.699 1.00 24.24 C ATOM 798 CZ PHE A 53 -2.050 4.676 0.272 1.00 4.13 C ATOM 0 H PHE A 53 -2.686 4.148 4.852 1.00 41.43 H new ATOM 0 HA PHE A 53 -0.319 2.748 5.845 1.00 12.41 H new ATOM 0 HB2 PHE A 53 0.750 2.820 3.606 1.00 65.13 H new ATOM 0 HB3 PHE A 53 -0.604 1.709 3.665 1.00 65.13 H new ATOM 0 HD1 PHE A 53 -2.774 2.348 2.572 1.00 71.32 H new ATOM 0 HD2 PHE A 53 0.739 4.714 2.131 1.00 21.42 H new ATOM 0 HE1 PHE A 53 -3.747 3.434 0.613 1.00 51.25 H new ATOM 0 HE2 PHE A 53 -0.242 5.797 0.169 1.00 24.24 H new ATOM 0 HZ PHE A 53 -2.480 5.151 -0.597 1.00 4.13 H new ATOM 808 N ASP A 54 1.011 4.935 5.079 1.00 52.41 N ATOM 809 CA ASP A 54 1.587 6.240 5.039 1.00 15.31 C ATOM 810 C ASP A 54 2.314 6.321 3.734 1.00 22.43 C ATOM 811 O ASP A 54 2.682 5.280 3.170 1.00 72.13 O ATOM 812 CB ASP A 54 2.548 6.497 6.223 1.00 70.34 C ATOM 813 CG ASP A 54 1.883 6.376 7.592 1.00 70.33 C ATOM 814 OD1 ASP A 54 1.140 7.284 8.007 1.00 61.33 O ATOM 815 OD2 ASP A 54 2.120 5.381 8.284 1.00 63.40 O ATOM 0 H ASP A 54 1.688 4.174 5.032 1.00 52.41 H new ATOM 0 HA ASP A 54 0.813 7.003 5.125 1.00 15.31 H new ATOM 0 HB2 ASP A 54 3.376 5.790 6.167 1.00 70.34 H new ATOM 0 HB3 ASP A 54 2.974 7.495 6.123 1.00 70.34 H new ATOM 820 N LEU A 55 2.506 7.483 3.222 1.00 51.53 N ATOM 821 CA LEU A 55 3.132 7.598 1.942 1.00 30.20 C ATOM 822 C LEU A 55 4.338 8.470 1.970 1.00 50.44 C ATOM 823 O LEU A 55 4.270 9.695 2.159 1.00 11.21 O ATOM 824 CB LEU A 55 2.141 8.029 0.878 1.00 2.14 C ATOM 825 CG LEU A 55 2.664 8.296 -0.545 1.00 15.44 C ATOM 826 CD1 LEU A 55 3.470 7.126 -1.049 1.00 43.01 C ATOM 827 CD2 LEU A 55 1.490 8.552 -1.485 1.00 75.23 C ATOM 0 H LEU A 55 2.243 8.366 3.661 1.00 51.53 H new ATOM 0 HA LEU A 55 3.486 6.603 1.674 1.00 30.20 H new ATOM 0 HB2 LEU A 55 1.372 7.260 0.810 1.00 2.14 H new ATOM 0 HB3 LEU A 55 1.653 8.938 1.228 1.00 2.14 H new ATOM 0 HG LEU A 55 3.309 9.174 -0.516 1.00 15.44 H new ATOM 0 HD11 LEU A 55 3.829 7.338 -2.056 1.00 43.01 H new ATOM 0 HD12 LEU A 55 4.321 6.959 -0.388 1.00 43.01 H new ATOM 0 HD13 LEU A 55 2.844 6.234 -1.067 1.00 43.01 H new ATOM 0 HD21 LEU A 55 1.864 8.741 -2.491 1.00 75.23 H new ATOM 0 HD22 LEU A 55 0.837 7.679 -1.498 1.00 75.23 H new ATOM 0 HD23 LEU A 55 0.929 9.420 -1.138 1.00 75.23 H new ATOM 839 N GLU A 56 5.418 7.830 1.791 1.00 34.22 N ATOM 840 CA GLU A 56 6.690 8.450 1.683 1.00 5.44 C ATOM 841 C GLU A 56 7.158 8.270 0.273 1.00 13.44 C ATOM 842 O GLU A 56 6.927 7.219 -0.336 1.00 60.12 O ATOM 843 CB GLU A 56 7.689 7.848 2.657 1.00 2.42 C ATOM 844 CG GLU A 56 7.331 8.056 4.109 1.00 4.42 C ATOM 845 CD GLU A 56 8.379 7.501 5.031 1.00 11.44 C ATOM 846 OE1 GLU A 56 9.337 8.241 5.374 1.00 1.34 O ATOM 847 OE2 GLU A 56 8.281 6.331 5.422 1.00 62.14 O ATOM 0 H GLU A 56 5.453 6.814 1.711 1.00 34.22 H new ATOM 0 HA GLU A 56 6.608 9.508 1.933 1.00 5.44 H new ATOM 0 HB2 GLU A 56 7.771 6.779 2.463 1.00 2.42 H new ATOM 0 HB3 GLU A 56 8.671 8.282 2.469 1.00 2.42 H new ATOM 0 HG2 GLU A 56 7.205 9.121 4.303 1.00 4.42 H new ATOM 0 HG3 GLU A 56 6.374 7.579 4.319 1.00 4.42 H new ATOM 854 N GLU A 57 7.778 9.261 -0.256 1.00 64.42 N ATOM 855 CA GLU A 57 8.194 9.208 -1.613 1.00 24.53 C ATOM 856 C GLU A 57 9.571 8.552 -1.693 1.00 53.11 C ATOM 857 O GLU A 57 10.422 8.772 -0.847 1.00 11.41 O ATOM 858 CB GLU A 57 8.213 10.618 -2.212 1.00 62.32 C ATOM 859 CG GLU A 57 8.403 10.643 -3.714 1.00 71.12 C ATOM 860 CD GLU A 57 8.431 12.030 -4.275 1.00 52.35 C ATOM 861 OE1 GLU A 57 7.360 12.658 -4.393 1.00 74.45 O ATOM 862 OE2 GLU A 57 9.523 12.502 -4.634 1.00 5.22 O ATOM 0 H GLU A 57 8.011 10.126 0.233 1.00 64.42 H new ATOM 0 HA GLU A 57 7.491 8.610 -2.193 1.00 24.53 H new ATOM 0 HB2 GLU A 57 7.277 11.120 -1.965 1.00 62.32 H new ATOM 0 HB3 GLU A 57 9.014 11.190 -1.744 1.00 62.32 H new ATOM 0 HG2 GLU A 57 9.334 10.136 -3.966 1.00 71.12 H new ATOM 0 HG3 GLU A 57 7.597 10.082 -4.186 1.00 71.12 H new ATOM 869 N LYS A 58 9.777 7.762 -2.712 1.00 60.02 N ATOM 870 CA LYS A 58 11.034 7.050 -2.944 1.00 70.14 C ATOM 871 C LYS A 58 11.923 7.961 -3.806 1.00 52.32 C ATOM 872 O LYS A 58 12.872 7.513 -4.453 1.00 4.12 O ATOM 873 CB LYS A 58 10.698 5.748 -3.716 1.00 2.11 C ATOM 874 CG LYS A 58 11.839 4.729 -3.990 1.00 60.23 C ATOM 875 CD LYS A 58 12.252 3.873 -2.767 1.00 2.31 C ATOM 876 CE LYS A 58 12.955 4.640 -1.653 1.00 34.10 C ATOM 877 NZ LYS A 58 13.336 3.743 -0.530 1.00 73.15 N ATOM 0 H LYS A 58 9.071 7.583 -3.426 1.00 60.02 H new ATOM 0 HA LYS A 58 11.548 6.803 -2.015 1.00 70.14 H new ATOM 0 HB2 LYS A 58 9.916 5.228 -3.163 1.00 2.11 H new ATOM 0 HB3 LYS A 58 10.272 6.034 -4.678 1.00 2.11 H new ATOM 0 HG2 LYS A 58 11.527 4.062 -4.794 1.00 60.23 H new ATOM 0 HG3 LYS A 58 12.714 5.272 -4.348 1.00 60.23 H new ATOM 0 HD2 LYS A 58 11.360 3.400 -2.356 1.00 2.31 H new ATOM 0 HD3 LYS A 58 12.909 3.073 -3.108 1.00 2.31 H new ATOM 0 HE2 LYS A 58 13.846 5.126 -2.051 1.00 34.10 H new ATOM 0 HE3 LYS A 58 12.300 5.429 -1.284 1.00 34.10 H new ATOM 0 HZ1 LYS A 58 14.084 4.193 0.035 1.00 73.15 H new ATOM 0 HZ2 LYS A 58 12.506 3.568 0.072 1.00 73.15 H new ATOM 0 HZ3 LYS A 58 13.685 2.840 -0.910 1.00 73.15 H new ATOM 891 N GLN A 59 11.611 9.252 -3.743 1.00 25.10 N ATOM 892 CA GLN A 59 12.191 10.279 -4.571 1.00 65.43 C ATOM 893 C GLN A 59 11.785 10.018 -6.010 1.00 75.14 C ATOM 894 O GLN A 59 12.444 9.280 -6.748 1.00 31.02 O ATOM 895 CB GLN A 59 13.715 10.407 -4.380 1.00 50.05 C ATOM 896 CG GLN A 59 14.359 11.540 -5.154 1.00 2.23 C ATOM 897 CD GLN A 59 15.840 11.650 -4.876 1.00 24.03 C ATOM 898 OE1 GLN A 59 16.264 12.354 -3.952 1.00 50.41 O ATOM 899 NE2 GLN A 59 16.635 10.958 -5.646 1.00 52.31 N ATOM 0 H GLN A 59 10.920 9.615 -3.086 1.00 25.10 H new ATOM 0 HA GLN A 59 11.804 11.252 -4.268 1.00 65.43 H new ATOM 0 HB2 GLN A 59 13.924 10.545 -3.319 1.00 50.05 H new ATOM 0 HB3 GLN A 59 14.184 9.469 -4.678 1.00 50.05 H new ATOM 0 HG2 GLN A 59 14.202 11.384 -6.221 1.00 2.23 H new ATOM 0 HG3 GLN A 59 13.871 12.479 -4.894 1.00 2.23 H new ATOM 0 HE21 GLN A 59 16.248 10.389 -6.398 1.00 52.31 H new ATOM 0 HE22 GLN A 59 17.643 10.987 -5.495 1.00 52.31 H new ATOM 908 N GLY A 60 10.642 10.551 -6.361 1.00 33.21 N ATOM 909 CA GLY A 60 10.075 10.335 -7.661 1.00 33.22 C ATOM 910 C GLY A 60 8.957 9.308 -7.610 1.00 21.23 C ATOM 911 O GLY A 60 7.807 9.606 -7.955 1.00 74.45 O ATOM 0 H GLY A 60 10.081 11.146 -5.751 1.00 33.21 H new ATOM 0 HA2 GLY A 60 9.690 11.276 -8.053 1.00 33.22 H new ATOM 0 HA3 GLY A 60 10.851 9.997 -8.348 1.00 33.22 H new ATOM 915 N LYS A 61 9.282 8.110 -7.147 1.00 62.05 N ATOM 916 CA LYS A 61 8.305 7.027 -7.075 1.00 53.42 C ATOM 917 C LYS A 61 7.525 7.107 -5.763 1.00 15.11 C ATOM 918 O LYS A 61 8.030 7.626 -4.770 1.00 43.34 O ATOM 919 CB LYS A 61 8.997 5.653 -7.204 1.00 1.11 C ATOM 920 CG LYS A 61 9.829 5.475 -8.476 1.00 50.13 C ATOM 921 CD LYS A 61 8.994 5.596 -9.752 1.00 62.32 C ATOM 922 CE LYS A 61 7.966 4.478 -9.878 1.00 15.40 C ATOM 923 NZ LYS A 61 7.163 4.615 -11.110 1.00 63.13 N ATOM 0 H LYS A 61 10.214 7.861 -6.815 1.00 62.05 H new ATOM 0 HA LYS A 61 7.609 7.137 -7.907 1.00 53.42 H new ATOM 0 HB2 LYS A 61 9.643 5.504 -6.339 1.00 1.11 H new ATOM 0 HB3 LYS A 61 8.236 4.873 -7.171 1.00 1.11 H new ATOM 0 HG2 LYS A 61 10.622 6.223 -8.494 1.00 50.13 H new ATOM 0 HG3 LYS A 61 10.312 4.498 -8.455 1.00 50.13 H new ATOM 0 HD2 LYS A 61 8.483 6.559 -9.759 1.00 62.32 H new ATOM 0 HD3 LYS A 61 9.654 5.579 -10.619 1.00 62.32 H new ATOM 0 HE2 LYS A 61 8.474 3.514 -9.880 1.00 15.40 H new ATOM 0 HE3 LYS A 61 7.307 4.489 -9.010 1.00 15.40 H new ATOM 0 HZ1 LYS A 61 6.474 3.838 -11.163 1.00 63.13 H new ATOM 0 HZ2 LYS A 61 6.659 5.525 -11.096 1.00 63.13 H new ATOM 0 HZ3 LYS A 61 7.790 4.579 -11.939 1.00 63.13 H new ATOM 937 N ALA A 62 6.330 6.588 -5.757 1.00 33.25 N ATOM 938 CA ALA A 62 5.464 6.652 -4.593 1.00 51.00 C ATOM 939 C ALA A 62 5.055 5.261 -4.157 1.00 21.42 C ATOM 940 O ALA A 62 4.400 4.541 -4.915 1.00 32.20 O ATOM 941 CB ALA A 62 4.224 7.480 -4.921 1.00 70.44 C ATOM 0 H ALA A 62 5.919 6.105 -6.556 1.00 33.25 H new ATOM 0 HA ALA A 62 6.009 7.124 -3.776 1.00 51.00 H new ATOM 0 HB1 ALA A 62 3.576 7.527 -4.046 1.00 70.44 H new ATOM 0 HB2 ALA A 62 4.525 8.489 -5.204 1.00 70.44 H new ATOM 0 HB3 ALA A 62 3.685 7.017 -5.747 1.00 70.44 H new ATOM 947 N TYR A 63 5.425 4.875 -2.950 1.00 14.21 N ATOM 948 CA TYR A 63 5.071 3.566 -2.449 1.00 32.34 C ATOM 949 C TYR A 63 4.493 3.644 -1.054 1.00 12.53 C ATOM 950 O TYR A 63 4.939 4.436 -0.216 1.00 50.20 O ATOM 951 CB TYR A 63 6.246 2.573 -2.501 1.00 22.21 C ATOM 952 CG TYR A 63 7.437 2.868 -1.606 1.00 21.01 C ATOM 953 CD1 TYR A 63 8.142 4.060 -1.698 1.00 13.41 C ATOM 954 CD2 TYR A 63 7.872 1.925 -0.685 1.00 12.00 C ATOM 955 CE1 TYR A 63 9.238 4.301 -0.898 1.00 1.44 C ATOM 956 CE2 TYR A 63 8.967 2.162 0.119 1.00 60.55 C ATOM 957 CZ TYR A 63 9.643 3.350 0.008 1.00 40.14 C ATOM 958 OH TYR A 63 10.751 3.586 0.797 1.00 64.04 O ATOM 0 H TYR A 63 5.968 5.448 -2.304 1.00 14.21 H new ATOM 0 HA TYR A 63 4.300 3.182 -3.117 1.00 32.34 H new ATOM 0 HB2 TYR A 63 5.866 1.584 -2.244 1.00 22.21 H new ATOM 0 HB3 TYR A 63 6.600 2.521 -3.530 1.00 22.21 H new ATOM 0 HD1 TYR A 63 7.827 4.811 -2.408 1.00 13.41 H new ATOM 0 HD2 TYR A 63 7.343 0.988 -0.596 1.00 12.00 H new ATOM 0 HE1 TYR A 63 9.776 5.233 -0.983 1.00 1.44 H new ATOM 0 HE2 TYR A 63 9.290 1.417 0.831 1.00 60.55 H new ATOM 0 HH TYR A 63 10.904 2.817 1.385 1.00 64.04 H new ATOM 968 N ALA A 64 3.495 2.845 -0.836 1.00 64.13 N ATOM 969 CA ALA A 64 2.798 2.758 0.424 1.00 64.24 C ATOM 970 C ALA A 64 3.673 2.079 1.435 1.00 52.41 C ATOM 971 O ALA A 64 4.315 1.062 1.136 1.00 44.42 O ATOM 972 CB ALA A 64 1.500 1.984 0.235 1.00 61.31 C ATOM 0 H ALA A 64 3.126 2.213 -1.547 1.00 64.13 H new ATOM 0 HA ALA A 64 2.560 3.759 0.783 1.00 64.24 H new ATOM 0 HB1 ALA A 64 0.974 1.918 1.187 1.00 61.31 H new ATOM 0 HB2 ALA A 64 0.872 2.499 -0.492 1.00 61.31 H new ATOM 0 HB3 ALA A 64 1.724 0.980 -0.126 1.00 61.31 H new ATOM 978 N VAL A 65 3.711 2.645 2.613 1.00 10.25 N ATOM 979 CA VAL A 65 4.505 2.122 3.711 1.00 31.25 C ATOM 980 C VAL A 65 3.680 2.100 4.981 1.00 62.31 C ATOM 981 O VAL A 65 2.630 2.730 5.036 1.00 40.32 O ATOM 982 CB VAL A 65 5.823 2.937 3.959 1.00 25.21 C ATOM 983 CG1 VAL A 65 6.736 2.899 2.750 1.00 22.24 C ATOM 984 CG2 VAL A 65 5.530 4.377 4.362 1.00 22.14 C ATOM 0 H VAL A 65 3.189 3.490 2.847 1.00 10.25 H new ATOM 0 HA VAL A 65 4.799 1.111 3.430 1.00 31.25 H new ATOM 0 HB VAL A 65 6.339 2.456 4.790 1.00 25.21 H new ATOM 0 HG11 VAL A 65 7.639 3.474 2.958 1.00 22.24 H new ATOM 0 HG12 VAL A 65 7.006 1.866 2.530 1.00 22.24 H new ATOM 0 HG13 VAL A 65 6.221 3.330 1.891 1.00 22.24 H new ATOM 0 HG21 VAL A 65 6.468 4.907 4.525 1.00 22.14 H new ATOM 0 HG22 VAL A 65 4.967 4.869 3.569 1.00 22.14 H new ATOM 0 HG23 VAL A 65 4.944 4.386 5.281 1.00 22.14 H new ATOM 994 N ASN A 66 4.160 1.364 5.983 1.00 54.32 N ATOM 995 CA ASN A 66 3.511 1.269 7.309 1.00 13.04 C ATOM 996 C ASN A 66 2.064 0.791 7.194 1.00 42.12 C ATOM 997 O ASN A 66 1.123 1.545 7.470 1.00 45.03 O ATOM 998 CB ASN A 66 3.552 2.607 8.047 1.00 12.34 C ATOM 999 CG ASN A 66 3.193 2.467 9.527 1.00 41.34 C ATOM 1000 OD1 ASN A 66 3.454 1.428 10.154 1.00 11.13 O ATOM 1001 ND2 ASN A 66 2.590 3.483 10.086 1.00 24.43 N ATOM 0 H ASN A 66 5.014 0.811 5.907 1.00 54.32 H new ATOM 0 HA ASN A 66 4.076 0.534 7.882 1.00 13.04 H new ATOM 0 HB2 ASN A 66 4.549 3.038 7.957 1.00 12.34 H new ATOM 0 HB3 ASN A 66 2.860 3.302 7.572 1.00 12.34 H new ATOM 0 HD21 ASN A 66 2.318 3.437 11.068 1.00 24.43 H new ATOM 0 HD22 ASN A 66 2.391 4.321 9.540 1.00 24.43 H new ATOM 1008 N LEU A 67 1.872 -0.423 6.730 1.00 23.45 N ATOM 1009 CA LEU A 67 0.520 -0.892 6.498 1.00 1.44 C ATOM 1010 C LEU A 67 -0.227 -1.235 7.762 1.00 4.55 C ATOM 1011 O LEU A 67 0.321 -1.802 8.716 1.00 11.35 O ATOM 1012 CB LEU A 67 0.435 -2.051 5.526 1.00 15.05 C ATOM 1013 CG LEU A 67 1.017 -1.833 4.145 1.00 41.22 C ATOM 1014 CD1 LEU A 67 0.616 -2.949 3.274 1.00 23.13 C ATOM 1015 CD2 LEU A 67 0.578 -0.514 3.538 1.00 63.31 C ATOM 0 H LEU A 67 2.611 -1.090 6.510 1.00 23.45 H new ATOM 0 HA LEU A 67 0.031 -0.033 6.040 1.00 1.44 H new ATOM 0 HB2 LEU A 67 0.939 -2.907 5.975 1.00 15.05 H new ATOM 0 HB3 LEU A 67 -0.615 -2.322 5.413 1.00 15.05 H new ATOM 0 HG LEU A 67 2.102 -1.795 4.237 1.00 41.22 H new ATOM 0 HD11 LEU A 67 1.031 -2.800 2.277 1.00 23.13 H new ATOM 0 HD12 LEU A 67 0.991 -3.886 3.687 1.00 23.13 H new ATOM 0 HD13 LEU A 67 -0.471 -2.989 3.212 1.00 23.13 H new ATOM 0 HD21 LEU A 67 1.021 -0.404 2.548 1.00 63.31 H new ATOM 0 HD22 LEU A 67 -0.509 -0.496 3.453 1.00 63.31 H new ATOM 0 HD23 LEU A 67 0.906 0.307 4.176 1.00 63.31 H new ATOM 1027 N ARG A 68 -1.459 -0.873 7.749 1.00 60.51 N ATOM 1028 CA ARG A 68 -2.394 -1.104 8.794 1.00 73.13 C ATOM 1029 C ARG A 68 -3.724 -1.390 8.122 1.00 11.52 C ATOM 1030 O ARG A 68 -4.108 -0.671 7.229 1.00 43.14 O ATOM 1031 CB ARG A 68 -2.461 0.183 9.607 1.00 1.33 C ATOM 1032 CG ARG A 68 -3.496 0.259 10.695 1.00 2.23 C ATOM 1033 CD ARG A 68 -3.417 1.633 11.321 1.00 51.01 C ATOM 1034 NE ARG A 68 -4.461 1.896 12.311 1.00 10.42 N ATOM 1035 CZ ARG A 68 -4.660 3.084 12.896 1.00 63.54 C ATOM 1036 NH1 ARG A 68 -3.850 4.114 12.623 1.00 13.25 N ATOM 1037 NH2 ARG A 68 -5.661 3.243 13.752 1.00 62.20 N ATOM 0 H ARG A 68 -1.869 -0.376 6.958 1.00 60.51 H new ATOM 0 HA ARG A 68 -2.128 -1.934 9.448 1.00 73.13 H new ATOM 0 HB2 ARG A 68 -1.483 0.347 10.060 1.00 1.33 H new ATOM 0 HB3 ARG A 68 -2.636 1.009 8.917 1.00 1.33 H new ATOM 0 HG2 ARG A 68 -4.491 0.083 10.287 1.00 2.23 H new ATOM 0 HG3 ARG A 68 -3.318 -0.512 11.445 1.00 2.23 H new ATOM 0 HD2 ARG A 68 -2.443 1.749 11.796 1.00 51.01 H new ATOM 0 HD3 ARG A 68 -3.480 2.384 10.534 1.00 51.01 H new ATOM 0 HE ARG A 68 -5.076 1.126 12.572 1.00 10.42 H new ATOM 0 HH11 ARG A 68 -3.078 3.996 11.967 1.00 13.25 H new ATOM 0 HH12 ARG A 68 -4.005 5.017 13.071 1.00 13.25 H new ATOM 0 HH21 ARG A 68 -6.279 2.460 13.965 1.00 62.20 H new ATOM 0 HH22 ARG A 68 -5.812 4.148 14.197 1.00 62.20 H new ATOM 1051 N ILE A 69 -4.406 -2.427 8.503 1.00 62.33 N ATOM 1052 CA ILE A 69 -5.674 -2.720 7.860 1.00 73.34 C ATOM 1053 C ILE A 69 -6.816 -1.983 8.523 1.00 44.34 C ATOM 1054 O ILE A 69 -6.745 -1.678 9.719 1.00 25.22 O ATOM 1055 CB ILE A 69 -5.964 -4.259 7.671 1.00 21.05 C ATOM 1056 CG1 ILE A 69 -5.831 -5.094 8.976 1.00 71.22 C ATOM 1057 CG2 ILE A 69 -5.097 -4.843 6.572 1.00 71.12 C ATOM 1058 CD1 ILE A 69 -6.908 -4.856 10.009 1.00 31.53 C ATOM 0 H ILE A 69 -4.125 -3.077 9.237 1.00 62.33 H new ATOM 0 HA ILE A 69 -5.587 -2.338 6.843 1.00 73.34 H new ATOM 0 HB ILE A 69 -7.012 -4.326 7.379 1.00 21.05 H new ATOM 0 HG12 ILE A 69 -5.831 -6.152 8.712 1.00 71.22 H new ATOM 0 HG13 ILE A 69 -4.863 -4.878 9.428 1.00 71.22 H new ATOM 0 HG21 ILE A 69 -5.316 -5.905 6.461 1.00 71.12 H new ATOM 0 HG22 ILE A 69 -5.305 -4.330 5.633 1.00 71.12 H new ATOM 0 HG23 ILE A 69 -4.046 -4.714 6.831 1.00 71.12 H new ATOM 0 HD11 ILE A 69 -6.723 -5.486 10.879 1.00 31.53 H new ATOM 0 HD12 ILE A 69 -6.898 -3.809 10.311 1.00 31.53 H new ATOM 0 HD13 ILE A 69 -7.881 -5.102 9.583 1.00 31.53 H new ATOM 1070 N LYS A 70 -7.823 -1.636 7.747 1.00 55.12 N ATOM 1071 CA LYS A 70 -8.971 -0.951 8.292 1.00 24.41 C ATOM 1072 C LYS A 70 -9.779 -1.917 9.153 1.00 73.23 C ATOM 1073 O LYS A 70 -10.563 -2.719 8.588 1.00 38.21 O ATOM 1074 CB LYS A 70 -9.867 -0.380 7.198 1.00 52.42 C ATOM 1075 CG LYS A 70 -10.907 0.577 7.748 1.00 61.01 C ATOM 1076 CD LYS A 70 -11.923 1.062 6.702 1.00 53.41 C ATOM 1077 CE LYS A 70 -13.078 0.065 6.455 1.00 3.01 C ATOM 1078 NZ LYS A 70 -12.661 -1.239 5.902 1.00 43.23 N ATOM 1079 OXT LYS A 70 -9.648 -1.878 10.391 1.00 38.21 O ATOM 0 H LYS A 70 -7.867 -1.817 6.744 1.00 55.12 H new ATOM 0 HA LYS A 70 -8.606 -0.119 8.894 1.00 24.41 H new ATOM 0 HB2 LYS A 70 -9.253 0.138 6.462 1.00 52.42 H new ATOM 0 HB3 LYS A 70 -10.367 -1.197 6.678 1.00 52.42 H new ATOM 0 HG2 LYS A 70 -11.443 0.087 8.561 1.00 61.01 H new ATOM 0 HG3 LYS A 70 -10.400 1.442 8.176 1.00 61.01 H new ATOM 0 HD2 LYS A 70 -12.340 2.015 7.027 1.00 53.41 H new ATOM 0 HD3 LYS A 70 -11.404 1.245 5.761 1.00 53.41 H new ATOM 0 HE2 LYS A 70 -13.600 -0.105 7.397 1.00 3.01 H new ATOM 0 HE3 LYS A 70 -13.794 0.522 5.772 1.00 3.01 H new ATOM 0 HZ1 LYS A 70 -13.469 -1.894 5.911 1.00 43.23 H new ATOM 0 HZ2 LYS A 70 -12.329 -1.112 4.925 1.00 43.23 H new ATOM 0 HZ3 LYS A 70 -11.891 -1.631 6.481 1.00 43.23 H new