USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 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 43 HIS : no HD1:sc= 1.1 K(o=2.3,f=-7.8!) USER MOD Set 1.2: A 44 SER OG : rot -104:sc= 1.24 USER MOD Set 2.1: A 33 HIS : no HE2:sc= 1.16 K(o=1.1,f=-3.6!) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -0.095 USER MOD Set 3.1: A 12 TYR OH : rot -140:sc= -0.255 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.402 K(o=0.15,f=-1.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 1.2 (180deg=1.13) USER MOD Single : A 13 ASN : amide:sc=-0.00464 X(o=-0.0046,f=-0.025) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00222 K(o=-0.0022,f=-2!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0113 (180deg=-0.225) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.071) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.010 11.899 3.855 1.00 32.33 N ATOM 21 CA ALA A 2 1.593 11.830 4.156 1.00 44.34 C ATOM 22 C ALA A 2 1.309 10.666 5.080 1.00 65.32 C ATOM 23 O ALA A 2 1.546 9.516 4.720 1.00 0.42 O ATOM 24 CB ALA A 2 0.792 11.709 2.871 1.00 34.33 C ATOM 0 HA ALA A 2 1.293 12.747 4.663 1.00 44.34 H new ATOM 0 HB1 ALA A 2 -0.271 11.658 3.108 1.00 34.33 H new ATOM 0 HB2 ALA A 2 0.982 12.578 2.241 1.00 34.33 H new ATOM 0 HB3 ALA A 2 1.089 10.804 2.341 1.00 34.33 H new ATOM 30 N THR A 3 0.820 10.964 6.258 1.00 53.42 N ATOM 31 CA THR A 3 0.531 9.951 7.246 1.00 73.23 C ATOM 32 C THR A 3 -0.966 9.649 7.319 1.00 72.21 C ATOM 33 O THR A 3 -1.794 10.540 7.093 1.00 55.05 O ATOM 34 CB THR A 3 1.073 10.376 8.635 1.00 44.04 C ATOM 35 OG1 THR A 3 0.581 11.687 8.970 1.00 44.53 O ATOM 36 CG2 THR A 3 2.593 10.402 8.638 1.00 43.32 C ATOM 0 H THR A 3 0.611 11.915 6.560 1.00 53.42 H new ATOM 0 HA THR A 3 1.037 9.035 6.940 1.00 73.23 H new ATOM 0 HB THR A 3 0.730 9.649 9.371 1.00 44.04 H new ATOM 0 HG1 THR A 3 0.925 11.951 9.849 1.00 44.53 H new ATOM 0 HG21 THR A 3 2.950 10.703 9.623 1.00 43.32 H new ATOM 0 HG22 THR A 3 2.974 9.409 8.402 1.00 43.32 H new ATOM 0 HG23 THR A 3 2.946 11.113 7.891 1.00 43.32 H new ATOM 44 N ASN A 4 -1.287 8.389 7.620 1.00 71.34 N ATOM 45 CA ASN A 4 -2.677 7.877 7.728 1.00 62.41 C ATOM 46 C ASN A 4 -3.519 8.188 6.511 1.00 14.24 C ATOM 47 O ASN A 4 -4.313 9.132 6.497 1.00 70.14 O ATOM 48 CB ASN A 4 -3.413 8.292 9.016 1.00 14.11 C ATOM 49 CG ASN A 4 -2.815 7.709 10.277 1.00 53.45 C ATOM 50 OD1 ASN A 4 -3.178 6.604 10.702 1.00 75.43 O ATOM 51 ND2 ASN A 4 -1.944 8.443 10.909 1.00 74.04 N ATOM 0 H ASN A 4 -0.583 7.673 7.801 1.00 71.34 H new ATOM 0 HA ASN A 4 -2.547 6.796 7.783 1.00 62.41 H new ATOM 0 HB2 ASN A 4 -3.408 9.379 9.092 1.00 14.11 H new ATOM 0 HB3 ASN A 4 -4.456 7.983 8.943 1.00 14.11 H new ATOM 0 HD21 ASN A 4 -1.537 8.112 11.784 1.00 74.04 H new ATOM 0 HD22 ASN A 4 -1.668 9.349 10.529 1.00 74.04 H new ATOM 58 N ILE A 5 -3.301 7.438 5.488 1.00 60.42 N ATOM 59 CA ILE A 5 -4.012 7.589 4.248 1.00 54.23 C ATOM 60 C ILE A 5 -5.051 6.508 4.101 1.00 40.20 C ATOM 61 O ILE A 5 -4.871 5.387 4.584 1.00 52.11 O ATOM 62 CB ILE A 5 -3.037 7.491 3.068 1.00 72.01 C ATOM 63 CG1 ILE A 5 -1.956 8.531 3.226 1.00 52.13 C ATOM 64 CG2 ILE A 5 -3.754 7.634 1.716 1.00 72.52 C ATOM 65 CD1 ILE A 5 -1.001 8.558 2.094 1.00 20.14 C ATOM 0 H ILE A 5 -2.612 6.686 5.480 1.00 60.42 H new ATOM 0 HA ILE A 5 -4.497 8.565 4.253 1.00 54.23 H new ATOM 0 HB ILE A 5 -2.585 6.499 3.075 1.00 72.01 H new ATOM 0 HG12 ILE A 5 -2.418 9.513 3.326 1.00 52.13 H new ATOM 0 HG13 ILE A 5 -1.409 8.340 4.149 1.00 52.13 H new ATOM 0 HG21 ILE A 5 -3.026 7.559 0.908 1.00 72.52 H new ATOM 0 HG22 ILE A 5 -4.495 6.842 1.612 1.00 72.52 H new ATOM 0 HG23 ILE A 5 -4.250 8.603 1.668 1.00 72.52 H new ATOM 0 HD11 ILE A 5 -0.250 9.328 2.270 1.00 20.14 H new ATOM 0 HD12 ILE A 5 -0.513 7.587 2.007 1.00 20.14 H new ATOM 0 HD13 ILE A 5 -1.537 8.779 1.171 1.00 20.14 H new ATOM 77 N VAL A 6 -6.115 6.849 3.440 1.00 24.23 N ATOM 78 CA VAL A 6 -7.163 5.932 3.136 1.00 23.13 C ATOM 79 C VAL A 6 -6.897 5.308 1.804 1.00 64.13 C ATOM 80 O VAL A 6 -6.546 5.996 0.834 1.00 31.23 O ATOM 81 CB VAL A 6 -8.540 6.633 3.052 1.00 50.11 C ATOM 82 CG1 VAL A 6 -9.632 5.658 2.590 1.00 0.12 C ATOM 83 CG2 VAL A 6 -8.906 7.265 4.375 1.00 4.23 C ATOM 0 H VAL A 6 -6.279 7.793 3.091 1.00 24.23 H new ATOM 0 HA VAL A 6 -7.188 5.191 3.935 1.00 23.13 H new ATOM 0 HB VAL A 6 -8.465 7.426 2.308 1.00 50.11 H new ATOM 0 HG11 VAL A 6 -10.588 6.179 2.541 1.00 0.12 H new ATOM 0 HG12 VAL A 6 -9.379 5.269 1.603 1.00 0.12 H new ATOM 0 HG13 VAL A 6 -9.705 4.832 3.297 1.00 0.12 H new ATOM 0 HG21 VAL A 6 -9.878 7.751 4.290 1.00 4.23 H new ATOM 0 HG22 VAL A 6 -8.952 6.495 5.146 1.00 4.23 H new ATOM 0 HG23 VAL A 6 -8.153 8.005 4.645 1.00 4.23 H new ATOM 93 N GLY A 7 -7.020 4.044 1.752 1.00 70.44 N ATOM 94 CA GLY A 7 -6.961 3.381 0.527 1.00 51.31 C ATOM 95 C GLY A 7 -7.495 2.008 0.621 1.00 12.41 C ATOM 96 O GLY A 7 -7.766 1.504 1.696 1.00 70.02 O ATOM 0 H GLY A 7 -7.165 3.442 2.562 1.00 70.44 H new ATOM 0 HA2 GLY A 7 -7.527 3.941 -0.217 1.00 51.31 H new ATOM 0 HA3 GLY A 7 -5.928 3.346 0.182 1.00 51.31 H new ATOM 100 N LYS A 8 -7.702 1.441 -0.486 1.00 13.12 N ATOM 101 CA LYS A 8 -8.094 0.092 -0.603 1.00 21.35 C ATOM 102 C LYS A 8 -7.077 -0.603 -1.465 1.00 25.43 C ATOM 103 O LYS A 8 -6.631 -0.044 -2.474 1.00 54.32 O ATOM 104 CB LYS A 8 -9.486 0.006 -1.218 1.00 1.11 C ATOM 105 CG LYS A 8 -9.985 -1.404 -1.445 1.00 40.11 C ATOM 106 CD LYS A 8 -11.411 -1.419 -1.982 1.00 34.01 C ATOM 107 CE LYS A 8 -12.415 -0.898 -0.958 1.00 55.43 C ATOM 108 NZ LYS A 8 -13.801 -0.915 -1.477 1.00 21.14 N ATOM 0 H LYS A 8 -7.601 1.917 -1.383 1.00 13.12 H new ATOM 0 HA LYS A 8 -8.139 -0.387 0.375 1.00 21.35 H new ATOM 0 HB2 LYS A 8 -10.189 0.527 -0.568 1.00 1.11 H new ATOM 0 HB3 LYS A 8 -9.482 0.534 -2.171 1.00 1.11 H new ATOM 0 HG2 LYS A 8 -9.326 -1.914 -2.148 1.00 40.11 H new ATOM 0 HG3 LYS A 8 -9.943 -1.960 -0.508 1.00 40.11 H new ATOM 0 HD2 LYS A 8 -11.465 -0.810 -2.884 1.00 34.01 H new ATOM 0 HD3 LYS A 8 -11.680 -2.436 -2.268 1.00 34.01 H new ATOM 0 HE2 LYS A 8 -12.359 -1.506 -0.055 1.00 55.43 H new ATOM 0 HE3 LYS A 8 -12.147 0.120 -0.674 1.00 55.43 H new ATOM 0 HZ1 LYS A 8 -14.453 -0.585 -0.737 1.00 21.14 H new ATOM 0 HZ2 LYS A 8 -13.870 -0.288 -2.304 1.00 21.14 H new ATOM 0 HZ3 LYS A 8 -14.056 -1.884 -1.755 1.00 21.14 H new ATOM 122 N VAL A 9 -6.670 -1.780 -1.051 1.00 42.42 N ATOM 123 CA VAL A 9 -5.720 -2.549 -1.805 1.00 31.10 C ATOM 124 C VAL A 9 -6.277 -2.811 -3.183 1.00 3.02 C ATOM 125 O VAL A 9 -7.335 -3.447 -3.351 1.00 42.25 O ATOM 126 CB VAL A 9 -5.323 -3.875 -1.113 1.00 34.31 C ATOM 127 CG1 VAL A 9 -4.322 -4.646 -1.966 1.00 50.44 C ATOM 128 CG2 VAL A 9 -4.739 -3.611 0.265 1.00 32.42 C ATOM 0 H VAL A 9 -6.987 -2.225 -0.189 1.00 42.42 H new ATOM 0 HA VAL A 9 -4.804 -1.963 -1.875 1.00 31.10 H new ATOM 0 HB VAL A 9 -6.224 -4.478 -0.998 1.00 34.31 H new ATOM 0 HG11 VAL A 9 -4.055 -5.575 -1.463 1.00 50.44 H new ATOM 0 HG12 VAL A 9 -4.768 -4.873 -2.934 1.00 50.44 H new ATOM 0 HG13 VAL A 9 -3.426 -4.042 -2.111 1.00 50.44 H new ATOM 0 HG21 VAL A 9 -4.467 -4.557 0.732 1.00 32.42 H new ATOM 0 HG22 VAL A 9 -3.852 -2.985 0.170 1.00 32.42 H new ATOM 0 HG23 VAL A 9 -5.479 -3.101 0.882 1.00 32.42 H new ATOM 138 N LYS A 10 -5.593 -2.273 -4.138 1.00 13.32 N ATOM 139 CA LYS A 10 -5.968 -2.341 -5.515 1.00 50.45 C ATOM 140 C LYS A 10 -5.651 -3.738 -6.052 1.00 11.32 C ATOM 141 O LYS A 10 -6.461 -4.341 -6.761 1.00 34.11 O ATOM 142 CB LYS A 10 -5.194 -1.248 -6.219 1.00 64.44 C ATOM 143 CG LYS A 10 -5.417 -1.065 -7.681 1.00 65.33 C ATOM 144 CD LYS A 10 -4.592 0.111 -8.141 1.00 4.21 C ATOM 145 CE LYS A 10 -4.590 0.273 -9.626 1.00 14.32 C ATOM 146 NZ LYS A 10 -5.946 0.450 -10.177 1.00 10.21 N ATOM 0 H LYS A 10 -4.728 -1.756 -3.978 1.00 13.32 H new ATOM 0 HA LYS A 10 -7.035 -2.185 -5.675 1.00 50.45 H new ATOM 0 HB2 LYS A 10 -5.424 -0.304 -5.725 1.00 64.44 H new ATOM 0 HB3 LYS A 10 -4.132 -1.438 -6.064 1.00 64.44 H new ATOM 0 HG2 LYS A 10 -5.131 -1.965 -8.225 1.00 65.33 H new ATOM 0 HG3 LYS A 10 -6.473 -0.891 -7.885 1.00 65.33 H new ATOM 0 HD2 LYS A 10 -4.978 1.021 -7.682 1.00 4.21 H new ATOM 0 HD3 LYS A 10 -3.567 -0.012 -7.792 1.00 4.21 H new ATOM 0 HE2 LYS A 10 -3.978 1.134 -9.893 1.00 14.32 H new ATOM 0 HE3 LYS A 10 -4.127 -0.602 -10.083 1.00 14.32 H new ATOM 0 HZ1 LYS A 10 -5.893 0.992 -11.063 1.00 10.21 H new ATOM 0 HZ2 LYS A 10 -6.369 -0.481 -10.365 1.00 10.21 H new ATOM 0 HZ3 LYS A 10 -6.535 0.965 -9.492 1.00 10.21 H new ATOM 160 N TRP A 11 -4.480 -4.232 -5.693 1.00 31.51 N ATOM 161 CA TRP A 11 -4.046 -5.602 -5.984 1.00 42.43 C ATOM 162 C TRP A 11 -2.732 -5.848 -5.330 1.00 72.33 C ATOM 163 O TRP A 11 -2.024 -4.893 -4.990 1.00 73.41 O ATOM 164 CB TRP A 11 -3.944 -5.933 -7.498 1.00 62.12 C ATOM 165 CG TRP A 11 -2.983 -5.090 -8.302 1.00 4.11 C ATOM 166 CD1 TRP A 11 -3.249 -3.922 -8.948 1.00 51.13 C ATOM 167 CD2 TRP A 11 -1.613 -5.386 -8.557 1.00 15.12 C ATOM 168 NE1 TRP A 11 -2.118 -3.465 -9.574 1.00 63.43 N ATOM 169 CE2 TRP A 11 -1.099 -4.352 -9.349 1.00 62.33 C ATOM 170 CE3 TRP A 11 -0.778 -6.422 -8.182 1.00 42.11 C ATOM 171 CZ2 TRP A 11 0.227 -4.332 -9.775 1.00 51.33 C ATOM 172 CZ3 TRP A 11 0.537 -6.408 -8.601 1.00 22.25 C ATOM 173 CH2 TRP A 11 1.028 -5.366 -9.390 1.00 64.31 C ATOM 0 H TRP A 11 -3.785 -3.688 -5.181 1.00 31.51 H new ATOM 0 HA TRP A 11 -4.818 -6.260 -5.585 1.00 42.43 H new ATOM 0 HB2 TRP A 11 -3.652 -6.978 -7.601 1.00 62.12 H new ATOM 0 HB3 TRP A 11 -4.936 -5.835 -7.938 1.00 62.12 H new ATOM 0 HD1 TRP A 11 -4.209 -3.428 -8.965 1.00 51.13 H new ATOM 0 HE1 TRP A 11 -2.047 -2.605 -10.118 1.00 63.43 H new ATOM 0 HE3 TRP A 11 -1.149 -7.231 -7.570 1.00 42.11 H new ATOM 0 HZ2 TRP A 11 0.607 -3.527 -10.387 1.00 51.33 H new ATOM 0 HZ3 TRP A 11 1.196 -7.215 -8.314 1.00 22.25 H new ATOM 0 HH2 TRP A 11 2.062 -5.379 -9.701 1.00 64.31 H new ATOM 184 N TYR A 12 -2.408 -7.096 -5.141 1.00 1.21 N ATOM 185 CA TYR A 12 -1.140 -7.486 -4.574 1.00 24.51 C ATOM 186 C TYR A 12 -0.898 -8.950 -4.856 1.00 4.15 C ATOM 187 O TYR A 12 -1.749 -9.791 -4.565 1.00 63.13 O ATOM 188 CB TYR A 12 -1.105 -7.232 -3.052 1.00 24.11 C ATOM 189 CG TYR A 12 0.238 -7.532 -2.401 1.00 73.41 C ATOM 190 CD1 TYR A 12 1.232 -6.567 -2.352 1.00 51.12 C ATOM 191 CD2 TYR A 12 0.507 -8.777 -1.836 1.00 30.35 C ATOM 192 CE1 TYR A 12 2.453 -6.826 -1.763 1.00 74.05 C ATOM 193 CE2 TYR A 12 1.727 -9.043 -1.245 1.00 63.43 C ATOM 194 CZ TYR A 12 2.697 -8.063 -1.212 1.00 15.22 C ATOM 195 OH TYR A 12 3.918 -8.325 -0.626 1.00 23.00 O ATOM 0 H TYR A 12 -3.017 -7.879 -5.376 1.00 1.21 H new ATOM 0 HA TYR A 12 -0.355 -6.884 -5.032 1.00 24.51 H new ATOM 0 HB2 TYR A 12 -1.363 -6.190 -2.863 1.00 24.11 H new ATOM 0 HB3 TYR A 12 -1.872 -7.842 -2.575 1.00 24.11 H new ATOM 0 HD1 TYR A 12 1.047 -5.594 -2.783 1.00 51.12 H new ATOM 0 HD2 TYR A 12 -0.250 -9.546 -1.861 1.00 30.35 H new ATOM 0 HE1 TYR A 12 3.214 -6.060 -1.735 1.00 74.05 H new ATOM 0 HE2 TYR A 12 1.920 -10.013 -0.811 1.00 63.43 H new ATOM 0 HH TYR A 12 4.203 -9.234 -0.855 1.00 23.00 H new ATOM 205 N ASN A 13 0.235 -9.255 -5.428 1.00 31.31 N ATOM 206 CA ASN A 13 0.594 -10.633 -5.689 1.00 15.31 C ATOM 207 C ASN A 13 1.804 -10.975 -4.877 1.00 25.32 C ATOM 208 O ASN A 13 2.848 -10.327 -5.023 1.00 12.11 O ATOM 209 CB ASN A 13 0.917 -10.890 -7.177 1.00 24.53 C ATOM 210 CG ASN A 13 -0.224 -10.592 -8.122 1.00 25.44 C ATOM 211 OD1 ASN A 13 -0.338 -9.491 -8.631 1.00 31.34 O ATOM 212 ND2 ASN A 13 -1.052 -11.558 -8.381 1.00 74.50 N ATOM 0 H ASN A 13 0.930 -8.570 -5.725 1.00 31.31 H new ATOM 0 HA ASN A 13 -0.262 -11.252 -5.421 1.00 15.31 H new ATOM 0 HB2 ASN A 13 1.776 -10.282 -7.460 1.00 24.53 H new ATOM 0 HB3 ASN A 13 1.211 -11.933 -7.298 1.00 24.53 H new ATOM 0 HD21 ASN A 13 -1.826 -11.407 -9.028 1.00 74.50 H new ATOM 0 HD22 ASN A 13 -0.928 -12.468 -7.938 1.00 74.50 H new ATOM 219 N SER A 14 1.695 -11.990 -4.046 1.00 1.42 N ATOM 220 CA SER A 14 2.807 -12.437 -3.214 1.00 65.31 C ATOM 221 C SER A 14 3.942 -12.981 -4.098 1.00 43.14 C ATOM 222 O SER A 14 5.091 -13.072 -3.671 1.00 52.22 O ATOM 223 CB SER A 14 2.325 -13.502 -2.231 1.00 25.32 C ATOM 224 OG SER A 14 1.240 -13.008 -1.456 1.00 23.40 O ATOM 0 H SER A 14 0.839 -12.531 -3.924 1.00 1.42 H new ATOM 0 HA SER A 14 3.193 -11.591 -2.645 1.00 65.31 H new ATOM 0 HB2 SER A 14 2.015 -14.394 -2.775 1.00 25.32 H new ATOM 0 HB3 SER A 14 3.144 -13.797 -1.575 1.00 25.32 H new ATOM 0 HG SER A 14 0.941 -13.702 -0.832 1.00 23.40 H new ATOM 230 N THR A 15 3.596 -13.322 -5.338 1.00 11.31 N ATOM 231 CA THR A 15 4.543 -13.777 -6.331 1.00 33.35 C ATOM 232 C THR A 15 5.578 -12.675 -6.642 1.00 12.45 C ATOM 233 O THR A 15 6.748 -12.965 -6.893 1.00 64.23 O ATOM 234 CB THR A 15 3.799 -14.178 -7.635 1.00 51.44 C ATOM 235 OG1 THR A 15 2.819 -15.178 -7.330 1.00 25.13 O ATOM 236 CG2 THR A 15 4.759 -14.729 -8.686 1.00 44.31 C ATOM 0 H THR A 15 2.635 -13.286 -5.677 1.00 11.31 H new ATOM 0 HA THR A 15 5.066 -14.646 -5.932 1.00 33.35 H new ATOM 0 HB THR A 15 3.326 -13.284 -8.041 1.00 51.44 H new ATOM 0 HG1 THR A 15 2.346 -15.433 -8.149 1.00 25.13 H new ATOM 0 HG21 THR A 15 4.201 -14.998 -9.583 1.00 44.31 H new ATOM 0 HG22 THR A 15 5.501 -13.970 -8.934 1.00 44.31 H new ATOM 0 HG23 THR A 15 5.261 -15.613 -8.292 1.00 44.31 H new ATOM 244 N LYS A 16 5.155 -11.407 -6.602 1.00 31.54 N ATOM 245 CA LYS A 16 6.077 -10.316 -6.922 1.00 21.23 C ATOM 246 C LYS A 16 6.312 -9.404 -5.728 1.00 51.21 C ATOM 247 O LYS A 16 7.225 -8.587 -5.748 1.00 74.32 O ATOM 248 CB LYS A 16 5.508 -9.463 -8.063 1.00 32.10 C ATOM 249 CG LYS A 16 5.280 -10.196 -9.369 1.00 73.42 C ATOM 250 CD LYS A 16 4.685 -9.256 -10.407 1.00 33.11 C ATOM 251 CE LYS A 16 4.491 -9.947 -11.740 1.00 43.41 C ATOM 252 NZ LYS A 16 3.916 -9.038 -12.752 1.00 11.33 N ATOM 0 H LYS A 16 4.208 -11.117 -6.358 1.00 31.54 H new ATOM 0 HA LYS A 16 7.022 -10.774 -7.212 1.00 21.23 H new ATOM 0 HB2 LYS A 16 4.561 -9.034 -7.736 1.00 32.10 H new ATOM 0 HB3 LYS A 16 6.188 -8.631 -8.246 1.00 32.10 H new ATOM 0 HG2 LYS A 16 6.223 -10.602 -9.735 1.00 73.42 H new ATOM 0 HG3 LYS A 16 4.610 -11.041 -9.207 1.00 73.42 H new ATOM 0 HD2 LYS A 16 3.727 -8.878 -10.050 1.00 33.11 H new ATOM 0 HD3 LYS A 16 5.340 -8.394 -10.535 1.00 33.11 H new ATOM 0 HE2 LYS A 16 5.449 -10.326 -12.095 1.00 43.41 H new ATOM 0 HE3 LYS A 16 3.835 -10.808 -11.611 1.00 43.41 H new ATOM 0 HZ1 LYS A 16 3.799 -9.548 -13.650 1.00 11.33 H new ATOM 0 HZ2 LYS A 16 2.990 -8.695 -12.425 1.00 11.33 H new ATOM 0 HZ3 LYS A 16 4.554 -8.229 -12.894 1.00 11.33 H new ATOM 266 N ASN A 17 5.518 -9.585 -4.672 1.00 63.42 N ATOM 267 CA ASN A 17 5.578 -8.727 -3.479 1.00 55.05 C ATOM 268 C ASN A 17 5.430 -7.241 -3.793 1.00 2.22 C ATOM 269 O ASN A 17 5.929 -6.361 -3.064 1.00 55.51 O ATOM 270 CB ASN A 17 6.793 -9.053 -2.639 1.00 5.35 C ATOM 271 CG ASN A 17 6.569 -10.345 -1.893 1.00 44.42 C ATOM 272 OD1 ASN A 17 5.443 -10.640 -1.460 1.00 24.02 O ATOM 273 ND2 ASN A 17 7.575 -11.139 -1.793 1.00 50.20 N ATOM 0 H ASN A 17 4.818 -10.325 -4.615 1.00 63.42 H new ATOM 0 HA ASN A 17 4.703 -8.957 -2.872 1.00 55.05 H new ATOM 0 HB2 ASN A 17 7.674 -9.138 -3.275 1.00 5.35 H new ATOM 0 HB3 ASN A 17 6.986 -8.244 -1.934 1.00 5.35 H new ATOM 0 HD21 ASN A 17 7.464 -12.049 -1.345 1.00 50.20 H new ATOM 0 HD22 ASN A 17 8.484 -10.859 -2.162 1.00 50.20 H new ATOM 280 N PHE A 18 4.703 -6.975 -4.851 1.00 15.12 N ATOM 281 CA PHE A 18 4.332 -5.647 -5.250 1.00 4.00 C ATOM 282 C PHE A 18 2.863 -5.618 -5.490 1.00 73.15 C ATOM 283 O PHE A 18 2.241 -6.668 -5.743 1.00 74.32 O ATOM 284 CB PHE A 18 5.057 -5.166 -6.519 1.00 10.12 C ATOM 285 CG PHE A 18 6.519 -4.919 -6.355 1.00 53.10 C ATOM 286 CD1 PHE A 18 6.965 -3.798 -5.680 1.00 13.54 C ATOM 287 CD2 PHE A 18 7.445 -5.787 -6.884 1.00 2.01 C ATOM 288 CE1 PHE A 18 8.310 -3.554 -5.533 1.00 32.02 C ATOM 289 CE2 PHE A 18 8.790 -5.552 -6.740 1.00 53.10 C ATOM 290 CZ PHE A 18 9.224 -4.432 -6.063 1.00 53.31 C ATOM 0 H PHE A 18 4.345 -7.700 -5.473 1.00 15.12 H new ATOM 0 HA PHE A 18 4.624 -4.973 -4.445 1.00 4.00 H new ATOM 0 HB2 PHE A 18 4.915 -5.909 -7.304 1.00 10.12 H new ATOM 0 HB3 PHE A 18 4.585 -4.246 -6.862 1.00 10.12 H new ATOM 0 HD1 PHE A 18 6.248 -3.106 -5.263 1.00 13.54 H new ATOM 0 HD2 PHE A 18 7.110 -6.664 -7.419 1.00 2.01 H new ATOM 0 HE1 PHE A 18 8.647 -2.675 -5.003 1.00 32.02 H new ATOM 0 HE2 PHE A 18 9.507 -6.244 -7.157 1.00 53.10 H new ATOM 0 HZ PHE A 18 10.282 -4.245 -5.949 1.00 53.31 H new ATOM 300 N GLY A 19 2.315 -4.470 -5.389 1.00 5.11 N ATOM 301 CA GLY A 19 0.945 -4.278 -5.640 1.00 73.44 C ATOM 302 C GLY A 19 0.649 -2.833 -5.621 1.00 64.01 C ATOM 303 O GLY A 19 1.570 -2.024 -5.524 1.00 50.40 O ATOM 0 H GLY A 19 2.817 -3.622 -5.124 1.00 5.11 H new ATOM 0 HA2 GLY A 19 0.676 -4.704 -6.607 1.00 73.44 H new ATOM 0 HA3 GLY A 19 0.349 -4.794 -4.887 1.00 73.44 H new ATOM 307 N PHE A 20 -0.587 -2.489 -5.692 1.00 61.52 N ATOM 308 CA PHE A 20 -1.000 -1.115 -5.663 1.00 55.40 C ATOM 309 C PHE A 20 -2.151 -0.919 -4.734 1.00 11.42 C ATOM 310 O PHE A 20 -2.808 -1.885 -4.320 1.00 51.11 O ATOM 311 CB PHE A 20 -1.337 -0.574 -7.048 1.00 74.11 C ATOM 312 CG PHE A 20 -0.147 -0.241 -7.916 1.00 4.21 C ATOM 313 CD1 PHE A 20 0.537 -1.222 -8.604 1.00 5.04 C ATOM 314 CD2 PHE A 20 0.277 1.070 -8.043 1.00 50.15 C ATOM 315 CE1 PHE A 20 1.621 -0.909 -9.399 1.00 52.54 C ATOM 316 CE2 PHE A 20 1.359 1.390 -8.835 1.00 12.23 C ATOM 317 CZ PHE A 20 2.031 0.398 -9.515 1.00 74.44 C ATOM 0 H PHE A 20 -1.356 -3.155 -5.773 1.00 61.52 H new ATOM 0 HA PHE A 20 -0.148 -0.545 -5.293 1.00 55.40 H new ATOM 0 HB2 PHE A 20 -1.951 -1.309 -7.568 1.00 74.11 H new ATOM 0 HB3 PHE A 20 -1.944 0.324 -6.932 1.00 74.11 H new ATOM 0 HD1 PHE A 20 0.219 -2.251 -8.519 1.00 5.04 H new ATOM 0 HD2 PHE A 20 -0.247 1.853 -7.515 1.00 50.15 H new ATOM 0 HE1 PHE A 20 2.146 -1.690 -9.929 1.00 52.54 H new ATOM 0 HE2 PHE A 20 1.680 2.418 -8.922 1.00 12.23 H new ATOM 0 HZ PHE A 20 2.878 0.647 -10.138 1.00 74.44 H new ATOM 327 N ILE A 21 -2.408 0.324 -4.423 1.00 41.40 N ATOM 328 CA ILE A 21 -3.447 0.727 -3.504 1.00 15.41 C ATOM 329 C ILE A 21 -3.997 2.069 -3.970 1.00 54.11 C ATOM 330 O ILE A 21 -3.227 2.933 -4.397 1.00 3.31 O ATOM 331 CB ILE A 21 -2.891 0.906 -2.041 1.00 52.20 C ATOM 332 CG1 ILE A 21 -2.203 -0.376 -1.546 1.00 34.40 C ATOM 333 CG2 ILE A 21 -4.009 1.299 -1.088 1.00 5.32 C ATOM 334 CD1 ILE A 21 -1.604 -0.269 -0.159 1.00 33.33 C ATOM 0 H ILE A 21 -1.886 1.109 -4.812 1.00 41.40 H new ATOM 0 HA ILE A 21 -4.215 -0.046 -3.490 1.00 15.41 H new ATOM 0 HB ILE A 21 -2.149 1.704 -2.064 1.00 52.20 H new ATOM 0 HG12 ILE A 21 -2.929 -1.189 -1.553 1.00 34.40 H new ATOM 0 HG13 ILE A 21 -1.415 -0.646 -2.249 1.00 34.40 H new ATOM 0 HG21 ILE A 21 -3.605 1.418 -0.083 1.00 5.32 H new ATOM 0 HG22 ILE A 21 -4.452 2.240 -1.415 1.00 5.32 H new ATOM 0 HG23 ILE A 21 -4.773 0.521 -1.083 1.00 5.32 H new ATOM 0 HD11 ILE A 21 -1.139 -1.217 0.111 1.00 33.33 H new ATOM 0 HD12 ILE A 21 -0.852 0.520 -0.147 1.00 33.33 H new ATOM 0 HD13 ILE A 21 -2.389 -0.032 0.559 1.00 33.33 H new ATOM 346 N GLU A 22 -5.295 2.208 -3.953 1.00 4.32 N ATOM 347 CA GLU A 22 -5.951 3.464 -4.242 1.00 70.51 C ATOM 348 C GLU A 22 -7.150 3.510 -3.335 1.00 60.21 C ATOM 349 O GLU A 22 -7.678 2.459 -2.997 1.00 74.53 O ATOM 350 CB GLU A 22 -6.402 3.531 -5.716 1.00 32.35 C ATOM 351 CG GLU A 22 -7.443 2.489 -6.087 1.00 30.14 C ATOM 352 CD GLU A 22 -7.886 2.569 -7.524 1.00 53.42 C ATOM 353 OE1 GLU A 22 -7.203 2.017 -8.403 1.00 52.20 O ATOM 354 OE2 GLU A 22 -8.942 3.159 -7.797 1.00 40.14 O ATOM 0 H GLU A 22 -5.938 1.447 -3.736 1.00 4.32 H new ATOM 0 HA GLU A 22 -5.277 4.306 -4.080 1.00 70.51 H new ATOM 0 HB2 GLU A 22 -6.807 4.523 -5.918 1.00 32.35 H new ATOM 0 HB3 GLU A 22 -5.531 3.405 -6.359 1.00 32.35 H new ATOM 0 HG2 GLU A 22 -7.036 1.496 -5.895 1.00 30.14 H new ATOM 0 HG3 GLU A 22 -8.312 2.608 -5.440 1.00 30.14 H new ATOM 361 N GLN A 23 -7.582 4.656 -2.889 1.00 35.23 N ATOM 362 CA GLN A 23 -8.788 4.630 -2.102 1.00 4.41 C ATOM 363 C GLN A 23 -9.934 4.418 -3.002 1.00 3.55 C ATOM 364 O GLN A 23 -9.966 4.939 -4.132 1.00 21.11 O ATOM 365 CB GLN A 23 -9.028 5.840 -1.184 1.00 61.54 C ATOM 366 CG GLN A 23 -9.344 7.126 -1.887 1.00 32.21 C ATOM 367 CD GLN A 23 -9.574 8.267 -0.938 1.00 63.12 C ATOM 368 OE1 GLN A 23 -10.706 8.531 -0.531 1.00 74.52 O ATOM 369 NE2 GLN A 23 -8.523 8.916 -0.548 1.00 54.31 N ATOM 0 H GLN A 23 -7.152 5.568 -3.041 1.00 35.23 H new ATOM 0 HA GLN A 23 -8.667 3.804 -1.401 1.00 4.41 H new ATOM 0 HB2 GLN A 23 -9.849 5.604 -0.507 1.00 61.54 H new ATOM 0 HB3 GLN A 23 -8.141 5.990 -0.569 1.00 61.54 H new ATOM 0 HG2 GLN A 23 -8.524 7.378 -2.559 1.00 32.21 H new ATOM 0 HG3 GLN A 23 -10.232 6.989 -2.505 1.00 32.21 H new ATOM 0 HE21 GLN A 23 -7.604 8.664 -0.911 1.00 54.31 H new ATOM 0 HE22 GLN A 23 -8.615 9.679 0.122 1.00 54.31 H new ATOM 378 N ASP A 24 -10.856 3.661 -2.512 1.00 32.21 N ATOM 379 CA ASP A 24 -12.074 3.291 -3.229 1.00 42.25 C ATOM 380 C ASP A 24 -12.760 4.501 -3.822 1.00 33.40 C ATOM 381 O ASP A 24 -13.317 4.435 -4.911 1.00 13.41 O ATOM 382 CB ASP A 24 -13.045 2.613 -2.280 1.00 35.11 C ATOM 383 CG ASP A 24 -14.290 2.104 -2.980 1.00 75.32 C ATOM 384 OD1 ASP A 24 -15.255 2.864 -3.138 1.00 3.42 O ATOM 385 OD2 ASP A 24 -14.308 0.927 -3.378 1.00 0.31 O ATOM 0 H ASP A 24 -10.801 3.260 -1.576 1.00 32.21 H new ATOM 0 HA ASP A 24 -11.785 2.616 -4.034 1.00 42.25 H new ATOM 0 HB2 ASP A 24 -12.543 1.779 -1.788 1.00 35.11 H new ATOM 0 HB3 ASP A 24 -13.334 3.316 -1.499 1.00 35.11 H new ATOM 390 N ASN A 25 -12.651 5.621 -3.134 1.00 10.32 N ATOM 391 CA ASN A 25 -13.371 6.825 -3.519 1.00 64.31 C ATOM 392 C ASN A 25 -12.603 7.681 -4.527 1.00 54.35 C ATOM 393 O ASN A 25 -12.997 8.818 -4.804 1.00 1.14 O ATOM 394 CB ASN A 25 -13.772 7.672 -2.299 1.00 4.42 C ATOM 395 CG ASN A 25 -14.644 6.924 -1.306 1.00 52.31 C ATOM 396 OD1 ASN A 25 -15.865 6.853 -1.461 1.00 12.22 O ATOM 397 ND2 ASN A 25 -14.044 6.410 -0.257 1.00 42.23 N ATOM 0 H ASN A 25 -12.069 5.725 -2.303 1.00 10.32 H new ATOM 0 HA ASN A 25 -14.279 6.476 -4.011 1.00 64.31 H new ATOM 0 HB2 ASN A 25 -12.870 8.016 -1.792 1.00 4.42 H new ATOM 0 HB3 ASN A 25 -14.304 8.560 -2.641 1.00 4.42 H new ATOM 0 HD21 ASN A 25 -14.590 5.934 0.461 1.00 42.23 H new ATOM 0 HD22 ASN A 25 -13.032 6.487 -0.160 1.00 42.23 H new ATOM 404 N GLY A 26 -11.529 7.141 -5.093 1.00 55.33 N ATOM 405 CA GLY A 26 -10.806 7.887 -6.102 1.00 13.53 C ATOM 406 C GLY A 26 -9.453 8.375 -5.636 1.00 60.31 C ATOM 407 O GLY A 26 -9.140 9.565 -5.747 1.00 4.43 O ATOM 0 H GLY A 26 -11.153 6.218 -4.876 1.00 55.33 H new ATOM 0 HA2 GLY A 26 -10.673 7.258 -6.982 1.00 13.53 H new ATOM 0 HA3 GLY A 26 -11.406 8.743 -6.410 1.00 13.53 H new ATOM 411 N GLY A 27 -8.660 7.483 -5.098 1.00 43.30 N ATOM 412 CA GLY A 27 -7.339 7.868 -4.663 1.00 42.22 C ATOM 413 C GLY A 27 -6.313 7.557 -5.717 1.00 62.15 C ATOM 414 O GLY A 27 -6.550 6.705 -6.573 1.00 55.24 O ATOM 0 H GLY A 27 -8.899 6.502 -4.952 1.00 43.30 H new ATOM 0 HA2 GLY A 27 -7.323 8.934 -4.438 1.00 42.22 H new ATOM 0 HA3 GLY A 27 -7.089 7.344 -3.741 1.00 42.22 H new ATOM 418 N LYS A 28 -5.187 8.237 -5.669 1.00 33.43 N ATOM 419 CA LYS A 28 -4.128 8.037 -6.650 1.00 64.22 C ATOM 420 C LYS A 28 -3.441 6.705 -6.426 1.00 15.14 C ATOM 421 O LYS A 28 -3.413 6.196 -5.298 1.00 63.34 O ATOM 422 CB LYS A 28 -3.125 9.167 -6.572 1.00 33.52 C ATOM 423 CG LYS A 28 -3.743 10.525 -6.819 1.00 44.43 C ATOM 424 CD LYS A 28 -2.710 11.616 -6.752 1.00 45.35 C ATOM 425 CE LYS A 28 -3.330 12.984 -7.005 1.00 61.00 C ATOM 426 NZ LYS A 28 -3.924 13.088 -8.359 1.00 52.03 N ATOM 0 H LYS A 28 -4.976 8.938 -4.959 1.00 33.43 H new ATOM 0 HA LYS A 28 -4.572 8.031 -7.645 1.00 64.22 H new ATOM 0 HB2 LYS A 28 -2.656 9.161 -5.588 1.00 33.52 H new ATOM 0 HB3 LYS A 28 -2.335 8.995 -7.303 1.00 33.52 H new ATOM 0 HG2 LYS A 28 -4.223 10.536 -7.797 1.00 44.43 H new ATOM 0 HG3 LYS A 28 -4.522 10.713 -6.080 1.00 44.43 H new ATOM 0 HD2 LYS A 28 -2.232 11.607 -5.772 1.00 45.35 H new ATOM 0 HD3 LYS A 28 -1.930 11.426 -7.489 1.00 45.35 H new ATOM 0 HE2 LYS A 28 -4.099 13.176 -6.257 1.00 61.00 H new ATOM 0 HE3 LYS A 28 -2.568 13.754 -6.884 1.00 61.00 H new ATOM 0 HZ1 LYS A 28 -4.118 14.086 -8.577 1.00 52.03 H new ATOM 0 HZ2 LYS A 28 -3.259 12.704 -9.060 1.00 52.03 H new ATOM 0 HZ3 LYS A 28 -4.812 12.547 -8.391 1.00 52.03 H new ATOM 440 N ASP A 29 -2.892 6.139 -7.477 1.00 74.24 N ATOM 441 CA ASP A 29 -2.261 4.841 -7.369 1.00 71.24 C ATOM 442 C ASP A 29 -0.868 4.942 -6.785 1.00 73.54 C ATOM 443 O ASP A 29 0.013 5.650 -7.296 1.00 12.00 O ATOM 444 CB ASP A 29 -2.252 4.053 -8.706 1.00 25.14 C ATOM 445 CG ASP A 29 -1.393 4.659 -9.802 1.00 51.30 C ATOM 446 OD1 ASP A 29 -1.841 5.600 -10.475 1.00 65.32 O ATOM 447 OD2 ASP A 29 -0.271 4.161 -10.048 1.00 51.15 O ATOM 0 H ASP A 29 -2.869 6.552 -8.409 1.00 74.24 H new ATOM 0 HA ASP A 29 -2.877 4.268 -6.677 1.00 71.24 H new ATOM 0 HB2 ASP A 29 -1.903 3.039 -8.510 1.00 25.14 H new ATOM 0 HB3 ASP A 29 -3.276 3.973 -9.070 1.00 25.14 H new ATOM 452 N VAL A 30 -0.698 4.273 -5.696 1.00 60.55 N ATOM 453 CA VAL A 30 0.561 4.168 -5.016 1.00 14.44 C ATOM 454 C VAL A 30 0.925 2.695 -4.914 1.00 14.22 C ATOM 455 O VAL A 30 0.043 1.852 -4.690 1.00 32.53 O ATOM 456 CB VAL A 30 0.496 4.850 -3.604 1.00 61.33 C ATOM 457 CG1 VAL A 30 -0.684 4.368 -2.805 1.00 71.11 C ATOM 458 CG2 VAL A 30 1.743 4.591 -2.817 1.00 64.13 C ATOM 0 H VAL A 30 -1.452 3.765 -5.234 1.00 60.55 H new ATOM 0 HA VAL A 30 1.334 4.693 -5.577 1.00 14.44 H new ATOM 0 HB VAL A 30 0.392 5.920 -3.785 1.00 61.33 H new ATOM 0 HG11 VAL A 30 -0.693 4.864 -1.834 1.00 71.11 H new ATOM 0 HG12 VAL A 30 -1.605 4.600 -3.340 1.00 71.11 H new ATOM 0 HG13 VAL A 30 -0.610 3.290 -2.661 1.00 71.11 H new ATOM 0 HG21 VAL A 30 1.667 5.077 -1.844 1.00 64.13 H new ATOM 0 HG22 VAL A 30 1.869 3.517 -2.678 1.00 64.13 H new ATOM 0 HG23 VAL A 30 2.603 4.990 -3.355 1.00 64.13 H new ATOM 468 N PHE A 31 2.187 2.362 -5.125 1.00 34.24 N ATOM 469 CA PHE A 31 2.568 0.979 -5.082 1.00 14.54 C ATOM 470 C PHE A 31 2.930 0.552 -3.688 1.00 30.40 C ATOM 471 O PHE A 31 3.509 1.313 -2.921 1.00 54.30 O ATOM 472 CB PHE A 31 3.671 0.604 -6.106 1.00 0.10 C ATOM 473 CG PHE A 31 5.006 1.291 -5.966 1.00 53.10 C ATOM 474 CD1 PHE A 31 5.946 0.829 -5.061 1.00 32.32 C ATOM 475 CD2 PHE A 31 5.331 2.373 -6.764 1.00 23.21 C ATOM 476 CE1 PHE A 31 7.175 1.437 -4.952 1.00 70.34 C ATOM 477 CE2 PHE A 31 6.562 2.987 -6.653 1.00 64.40 C ATOM 478 CZ PHE A 31 7.485 2.515 -5.746 1.00 41.44 C ATOM 0 H PHE A 31 2.942 3.019 -5.322 1.00 34.24 H new ATOM 0 HA PHE A 31 1.686 0.417 -5.388 1.00 14.54 H new ATOM 0 HB2 PHE A 31 3.837 -0.472 -6.045 1.00 0.10 H new ATOM 0 HB3 PHE A 31 3.288 0.811 -7.105 1.00 0.10 H new ATOM 0 HD1 PHE A 31 5.712 -0.018 -4.434 1.00 32.32 H new ATOM 0 HD2 PHE A 31 4.613 2.742 -7.482 1.00 23.21 H new ATOM 0 HE1 PHE A 31 7.898 1.066 -4.241 1.00 70.34 H new ATOM 0 HE2 PHE A 31 6.801 3.836 -7.276 1.00 64.40 H new ATOM 0 HZ PHE A 31 8.450 2.991 -5.659 1.00 41.44 H new ATOM 488 N VAL A 32 2.573 -0.634 -3.358 1.00 61.05 N ATOM 489 CA VAL A 32 2.861 -1.177 -2.081 1.00 51.12 C ATOM 490 C VAL A 32 3.900 -2.282 -2.245 1.00 61.15 C ATOM 491 O VAL A 32 3.915 -3.000 -3.258 1.00 10.21 O ATOM 492 CB VAL A 32 1.568 -1.712 -1.389 1.00 3.10 C ATOM 493 CG1 VAL A 32 0.926 -2.853 -2.161 1.00 70.25 C ATOM 494 CG2 VAL A 32 1.834 -2.109 0.049 1.00 73.10 C ATOM 0 H VAL A 32 2.064 -1.266 -3.977 1.00 61.05 H new ATOM 0 HA VAL A 32 3.261 -0.396 -1.435 1.00 51.12 H new ATOM 0 HB VAL A 32 0.854 -0.889 -1.386 1.00 3.10 H new ATOM 0 HG11 VAL A 32 0.031 -3.188 -1.637 1.00 70.25 H new ATOM 0 HG12 VAL A 32 0.655 -2.510 -3.159 1.00 70.25 H new ATOM 0 HG13 VAL A 32 1.631 -3.680 -2.241 1.00 70.25 H new ATOM 0 HG21 VAL A 32 0.913 -2.477 0.501 1.00 73.10 H new ATOM 0 HG22 VAL A 32 2.590 -2.894 0.076 1.00 73.10 H new ATOM 0 HG23 VAL A 32 2.190 -1.242 0.606 1.00 73.10 H new ATOM 504 N HIS A 33 4.776 -2.394 -1.294 1.00 14.32 N ATOM 505 CA HIS A 33 5.811 -3.385 -1.333 1.00 43.21 C ATOM 506 C HIS A 33 5.847 -4.098 0.006 1.00 62.55 C ATOM 507 O HIS A 33 5.400 -3.546 1.006 1.00 1.14 O ATOM 508 CB HIS A 33 7.155 -2.725 -1.688 1.00 0.40 C ATOM 509 CG HIS A 33 8.272 -3.694 -1.826 1.00 72.43 C ATOM 510 ND1 HIS A 33 8.143 -4.892 -2.480 1.00 54.34 N ATOM 511 CD2 HIS A 33 9.513 -3.673 -1.339 1.00 30.34 C ATOM 512 CE1 HIS A 33 9.255 -5.557 -2.379 1.00 30.51 C ATOM 513 NE2 HIS A 33 10.108 -4.841 -1.696 1.00 45.25 N ATOM 0 H HIS A 33 4.795 -1.799 -0.465 1.00 14.32 H new ATOM 0 HA HIS A 33 5.611 -4.126 -2.107 1.00 43.21 H new ATOM 0 HB2 HIS A 33 7.045 -2.174 -2.622 1.00 0.40 H new ATOM 0 HB3 HIS A 33 7.409 -1.998 -0.917 1.00 0.40 H new ATOM 0 HD1 HIS A 33 7.306 -5.211 -2.969 1.00 54.34 H new ATOM 0 HD2 HIS A 33 9.962 -2.875 -0.767 1.00 30.34 H new ATOM 0 HE1 HIS A 33 9.443 -6.538 -2.791 1.00 30.51 H new ATOM 522 N LYS A 34 6.402 -5.301 0.038 1.00 5.31 N ATOM 523 CA LYS A 34 6.352 -6.129 1.232 1.00 33.44 C ATOM 524 C LYS A 34 7.190 -5.565 2.366 1.00 74.14 C ATOM 525 O LYS A 34 7.018 -5.942 3.496 1.00 34.12 O ATOM 526 CB LYS A 34 6.681 -7.591 0.935 1.00 44.24 C ATOM 527 CG LYS A 34 6.514 -8.515 2.134 1.00 75.21 C ATOM 528 CD LYS A 34 6.696 -9.934 1.743 1.00 52.03 C ATOM 529 CE LYS A 34 6.540 -10.872 2.920 1.00 35.14 C ATOM 530 NZ LYS A 34 6.740 -12.280 2.524 1.00 63.04 N ATOM 0 H LYS A 34 6.892 -5.725 -0.750 1.00 5.31 H new ATOM 0 HA LYS A 34 5.319 -6.108 1.579 1.00 33.44 H new ATOM 0 HB2 LYS A 34 6.039 -7.941 0.126 1.00 44.24 H new ATOM 0 HB3 LYS A 34 7.709 -7.657 0.578 1.00 44.24 H new ATOM 0 HG2 LYS A 34 7.238 -8.251 2.904 1.00 75.21 H new ATOM 0 HG3 LYS A 34 5.523 -8.378 2.568 1.00 75.21 H new ATOM 0 HD2 LYS A 34 5.969 -10.194 0.974 1.00 52.03 H new ATOM 0 HD3 LYS A 34 7.685 -10.065 1.304 1.00 52.03 H new ATOM 0 HE2 LYS A 34 7.258 -10.606 3.695 1.00 35.14 H new ATOM 0 HE3 LYS A 34 5.546 -10.753 3.352 1.00 35.14 H new ATOM 0 HZ1 LYS A 34 6.626 -12.894 3.356 1.00 63.04 H new ATOM 0 HZ2 LYS A 34 6.038 -12.541 1.802 1.00 63.04 H new ATOM 0 HZ3 LYS A 34 7.697 -12.399 2.135 1.00 63.04 H new ATOM 544 N SER A 35 8.083 -4.647 2.053 1.00 13.00 N ATOM 545 CA SER A 35 8.829 -3.921 3.087 1.00 70.31 C ATOM 546 C SER A 35 7.853 -3.214 4.059 1.00 21.34 C ATOM 547 O SER A 35 8.163 -2.997 5.225 1.00 70.34 O ATOM 548 CB SER A 35 9.754 -2.915 2.427 1.00 61.54 C ATOM 549 OG SER A 35 10.575 -3.565 1.471 1.00 2.44 O ATOM 0 H SER A 35 8.316 -4.380 1.097 1.00 13.00 H new ATOM 0 HA SER A 35 9.427 -4.626 3.665 1.00 70.31 H new ATOM 0 HB2 SER A 35 9.169 -2.133 1.944 1.00 61.54 H new ATOM 0 HB3 SER A 35 10.374 -2.430 3.181 1.00 61.54 H new ATOM 0 HG SER A 35 11.168 -2.909 1.049 1.00 2.44 H new ATOM 555 N ALA A 36 6.657 -2.899 3.567 1.00 71.14 N ATOM 556 CA ALA A 36 5.639 -2.304 4.389 1.00 62.04 C ATOM 557 C ALA A 36 5.004 -3.353 5.270 1.00 31.01 C ATOM 558 O ALA A 36 4.668 -3.089 6.425 1.00 24.42 O ATOM 559 CB ALA A 36 4.600 -1.670 3.546 1.00 12.20 C ATOM 0 H ALA A 36 6.381 -3.052 2.597 1.00 71.14 H new ATOM 0 HA ALA A 36 6.103 -1.541 5.014 1.00 62.04 H new ATOM 0 HB1 ALA A 36 3.836 -1.224 4.183 1.00 12.20 H new ATOM 0 HB2 ALA A 36 5.055 -0.895 2.929 1.00 12.20 H new ATOM 0 HB3 ALA A 36 4.143 -2.423 2.904 1.00 12.20 H new ATOM 565 N VAL A 37 4.830 -4.551 4.714 1.00 54.25 N ATOM 566 CA VAL A 37 4.325 -5.668 5.482 1.00 60.42 C ATOM 567 C VAL A 37 5.356 -6.021 6.512 1.00 43.53 C ATOM 568 O VAL A 37 5.039 -6.263 7.627 1.00 30.02 O ATOM 569 CB VAL A 37 4.016 -6.927 4.610 1.00 61.43 C ATOM 570 CG1 VAL A 37 3.543 -8.080 5.498 1.00 73.12 C ATOM 571 CG2 VAL A 37 2.951 -6.599 3.571 1.00 12.42 C ATOM 0 H VAL A 37 5.033 -4.764 3.737 1.00 54.25 H new ATOM 0 HA VAL A 37 3.381 -5.365 5.935 1.00 60.42 H new ATOM 0 HB VAL A 37 4.929 -7.228 4.096 1.00 61.43 H new ATOM 0 HG11 VAL A 37 3.331 -8.952 4.880 1.00 73.12 H new ATOM 0 HG12 VAL A 37 4.322 -8.327 6.219 1.00 73.12 H new ATOM 0 HG13 VAL A 37 2.639 -7.783 6.029 1.00 73.12 H new ATOM 0 HG21 VAL A 37 2.744 -7.484 2.970 1.00 12.42 H new ATOM 0 HG22 VAL A 37 2.038 -6.281 4.074 1.00 12.42 H new ATOM 0 HG23 VAL A 37 3.308 -5.797 2.925 1.00 12.42 H new ATOM 581 N ASP A 38 6.596 -5.984 6.108 1.00 55.23 N ATOM 582 CA ASP A 38 7.732 -6.264 6.965 1.00 62.54 C ATOM 583 C ASP A 38 7.795 -5.275 8.115 1.00 14.34 C ATOM 584 O ASP A 38 8.202 -5.622 9.231 1.00 60.34 O ATOM 585 CB ASP A 38 9.023 -6.203 6.150 1.00 3.30 C ATOM 586 CG ASP A 38 10.257 -6.478 6.972 1.00 53.12 C ATOM 587 OD1 ASP A 38 10.588 -7.662 7.183 1.00 63.40 O ATOM 588 OD2 ASP A 38 10.915 -5.517 7.410 1.00 54.34 O ATOM 0 H ASP A 38 6.859 -5.753 5.150 1.00 55.23 H new ATOM 0 HA ASP A 38 7.615 -7.265 7.380 1.00 62.54 H new ATOM 0 HB2 ASP A 38 8.967 -6.927 5.337 1.00 3.30 H new ATOM 0 HB3 ASP A 38 9.111 -5.217 5.693 1.00 3.30 H new ATOM 593 N ALA A 39 7.359 -4.053 7.852 1.00 64.22 N ATOM 594 CA ALA A 39 7.364 -3.004 8.856 1.00 24.30 C ATOM 595 C ALA A 39 6.458 -3.328 10.060 1.00 31.54 C ATOM 596 O ALA A 39 6.808 -3.010 11.200 1.00 3.02 O ATOM 597 CB ALA A 39 6.980 -1.666 8.240 1.00 10.42 C ATOM 0 H ALA A 39 6.995 -3.763 6.944 1.00 64.22 H new ATOM 0 HA ALA A 39 8.383 -2.939 9.237 1.00 24.30 H new ATOM 0 HB1 ALA A 39 6.990 -0.895 9.010 1.00 10.42 H new ATOM 0 HB2 ALA A 39 7.694 -1.407 7.458 1.00 10.42 H new ATOM 0 HB3 ALA A 39 5.981 -1.737 7.810 1.00 10.42 H new ATOM 603 N ALA A 40 5.320 -3.975 9.818 1.00 41.01 N ATOM 604 CA ALA A 40 4.354 -4.234 10.912 1.00 23.02 C ATOM 605 C ALA A 40 3.936 -5.711 11.024 1.00 2.33 C ATOM 606 O ALA A 40 3.270 -6.113 11.994 1.00 31.32 O ATOM 607 CB ALA A 40 3.121 -3.362 10.719 1.00 31.21 C ATOM 0 H ALA A 40 5.038 -4.326 8.903 1.00 41.01 H new ATOM 0 HA ALA A 40 4.860 -3.984 11.845 1.00 23.02 H new ATOM 0 HB1 ALA A 40 2.411 -3.553 11.524 1.00 31.21 H new ATOM 0 HB2 ALA A 40 3.412 -2.312 10.733 1.00 31.21 H new ATOM 0 HB3 ALA A 40 2.656 -3.596 9.761 1.00 31.21 H new ATOM 613 N GLY A 41 4.328 -6.496 10.061 1.00 62.11 N ATOM 614 CA GLY A 41 3.928 -7.883 9.977 1.00 44.13 C ATOM 615 C GLY A 41 2.459 -7.989 9.694 1.00 73.52 C ATOM 616 O GLY A 41 1.704 -8.558 10.475 1.00 41.21 O ATOM 0 H GLY A 41 4.940 -6.194 9.303 1.00 62.11 H new ATOM 0 HA2 GLY A 41 4.493 -8.384 9.191 1.00 44.13 H new ATOM 0 HA3 GLY A 41 4.162 -8.393 10.912 1.00 44.13 H new ATOM 620 N LEU A 42 2.054 -7.402 8.589 1.00 63.25 N ATOM 621 CA LEU A 42 0.676 -7.386 8.171 1.00 51.11 C ATOM 622 C LEU A 42 0.305 -8.821 7.748 1.00 50.53 C ATOM 623 O LEU A 42 1.161 -9.561 7.244 1.00 75.32 O ATOM 624 CB LEU A 42 0.554 -6.380 6.997 1.00 23.11 C ATOM 625 CG LEU A 42 -0.825 -5.765 6.676 1.00 54.24 C ATOM 626 CD1 LEU A 42 -1.853 -6.783 6.222 1.00 64.33 C ATOM 627 CD2 LEU A 42 -1.339 -4.949 7.852 1.00 33.54 C ATOM 0 H LEU A 42 2.684 -6.917 7.950 1.00 63.25 H new ATOM 0 HA LEU A 42 -0.005 -7.073 8.962 1.00 51.11 H new ATOM 0 HB2 LEU A 42 1.242 -5.558 7.195 1.00 23.11 H new ATOM 0 HB3 LEU A 42 0.908 -6.882 6.096 1.00 23.11 H new ATOM 0 HG LEU A 42 -0.672 -5.100 5.826 1.00 54.24 H new ATOM 0 HD11 LEU A 42 -2.797 -6.279 6.014 1.00 64.33 H new ATOM 0 HD12 LEU A 42 -1.500 -7.279 5.318 1.00 64.33 H new ATOM 0 HD13 LEU A 42 -2.002 -7.524 7.007 1.00 64.33 H new ATOM 0 HD21 LEU A 42 -2.312 -4.525 7.603 1.00 33.54 H new ATOM 0 HD22 LEU A 42 -1.436 -5.592 8.726 1.00 33.54 H new ATOM 0 HD23 LEU A 42 -0.638 -4.144 8.070 1.00 33.54 H new ATOM 639 N HIS A 43 -0.933 -9.217 7.999 1.00 33.00 N ATOM 640 CA HIS A 43 -1.407 -10.567 7.689 1.00 13.11 C ATOM 641 C HIS A 43 -1.163 -10.910 6.211 1.00 13.35 C ATOM 642 O HIS A 43 -0.403 -11.833 5.900 1.00 2.04 O ATOM 643 CB HIS A 43 -2.909 -10.679 8.009 1.00 11.23 C ATOM 644 CG HIS A 43 -3.488 -12.066 7.861 1.00 2.42 C ATOM 645 ND1 HIS A 43 -3.900 -12.604 6.657 1.00 73.31 N ATOM 646 CD2 HIS A 43 -3.724 -13.020 8.787 1.00 13.53 C ATOM 647 CE1 HIS A 43 -4.359 -13.818 6.857 1.00 11.14 C ATOM 648 NE2 HIS A 43 -4.261 -14.093 8.137 1.00 71.11 N ATOM 0 H HIS A 43 -1.641 -8.617 8.423 1.00 33.00 H new ATOM 0 HA HIS A 43 -0.850 -11.275 8.302 1.00 13.11 H new ATOM 0 HB2 HIS A 43 -3.074 -10.339 9.031 1.00 11.23 H new ATOM 0 HB3 HIS A 43 -3.457 -10.001 7.355 1.00 11.23 H new ATOM 0 HD2 HIS A 43 -3.525 -12.947 9.846 1.00 13.53 H new ATOM 0 HE1 HIS A 43 -4.751 -14.478 6.097 1.00 11.14 H new ATOM 0 HE2 HIS A 43 -4.542 -14.970 8.576 1.00 71.11 H new ATOM 657 N SER A 44 -1.782 -10.145 5.326 1.00 31.14 N ATOM 658 CA SER A 44 -1.670 -10.349 3.897 1.00 53.12 C ATOM 659 C SER A 44 -2.406 -9.248 3.170 1.00 43.12 C ATOM 660 O SER A 44 -3.366 -8.694 3.702 1.00 2.23 O ATOM 661 CB SER A 44 -2.259 -11.717 3.521 1.00 41.14 C ATOM 662 OG SER A 44 -3.574 -11.872 4.058 1.00 42.40 O ATOM 0 H SER A 44 -2.380 -9.360 5.585 1.00 31.14 H new ATOM 0 HA SER A 44 -0.619 -10.326 3.608 1.00 53.12 H new ATOM 0 HB2 SER A 44 -2.291 -11.818 2.436 1.00 41.14 H new ATOM 0 HB3 SER A 44 -1.613 -12.511 3.896 1.00 41.14 H new ATOM 0 HG SER A 44 -3.541 -12.464 4.839 1.00 42.40 H new ATOM 668 N LEU A 45 -1.961 -8.915 1.987 1.00 42.13 N ATOM 669 CA LEU A 45 -2.628 -7.912 1.202 1.00 2.02 C ATOM 670 C LEU A 45 -3.335 -8.570 0.057 1.00 20.31 C ATOM 671 O LEU A 45 -2.834 -9.541 -0.515 1.00 41.53 O ATOM 672 CB LEU A 45 -1.649 -6.894 0.661 1.00 20.23 C ATOM 673 CG LEU A 45 -0.802 -6.158 1.687 1.00 11.21 C ATOM 674 CD1 LEU A 45 0.174 -5.244 0.984 1.00 72.43 C ATOM 675 CD2 LEU A 45 -1.687 -5.362 2.642 1.00 3.03 C ATOM 0 H LEU A 45 -1.138 -9.325 1.546 1.00 42.13 H new ATOM 0 HA LEU A 45 -3.341 -7.395 1.844 1.00 2.02 H new ATOM 0 HB2 LEU A 45 -0.980 -7.400 -0.035 1.00 20.23 H new ATOM 0 HB3 LEU A 45 -2.207 -6.155 0.086 1.00 20.23 H new ATOM 0 HG LEU A 45 -0.244 -6.889 2.272 1.00 11.21 H new ATOM 0 HD11 LEU A 45 0.778 -4.719 1.724 1.00 72.43 H new ATOM 0 HD12 LEU A 45 0.824 -5.834 0.337 1.00 72.43 H new ATOM 0 HD13 LEU A 45 -0.375 -4.519 0.383 1.00 72.43 H new ATOM 0 HD21 LEU A 45 -1.063 -4.842 3.369 1.00 3.03 H new ATOM 0 HD22 LEU A 45 -2.269 -4.634 2.077 1.00 3.03 H new ATOM 0 HD23 LEU A 45 -2.362 -6.041 3.163 1.00 3.03 H new ATOM 687 N GLU A 46 -4.470 -8.046 -0.275 1.00 21.53 N ATOM 688 CA GLU A 46 -5.296 -8.556 -1.336 1.00 61.20 C ATOM 689 C GLU A 46 -6.338 -7.515 -1.654 1.00 61.11 C ATOM 690 O GLU A 46 -6.602 -6.638 -0.822 1.00 4.44 O ATOM 691 CB GLU A 46 -5.945 -9.875 -0.917 1.00 55.21 C ATOM 692 CG GLU A 46 -6.804 -9.782 0.328 1.00 22.34 C ATOM 693 CD GLU A 46 -7.329 -11.114 0.742 1.00 13.04 C ATOM 694 OE1 GLU A 46 -8.227 -11.642 0.059 1.00 60.13 O ATOM 695 OE2 GLU A 46 -6.826 -11.676 1.741 1.00 33.22 O ATOM 0 H GLU A 46 -4.864 -7.230 0.193 1.00 21.53 H new ATOM 0 HA GLU A 46 -4.696 -8.758 -2.223 1.00 61.20 H new ATOM 0 HB2 GLU A 46 -6.558 -10.242 -1.740 1.00 55.21 H new ATOM 0 HB3 GLU A 46 -5.162 -10.614 -0.749 1.00 55.21 H new ATOM 0 HG2 GLU A 46 -6.219 -9.354 1.142 1.00 22.34 H new ATOM 0 HG3 GLU A 46 -7.638 -9.104 0.144 1.00 22.34 H new ATOM 702 N GLU A 47 -6.925 -7.592 -2.820 1.00 64.34 N ATOM 703 CA GLU A 47 -7.888 -6.593 -3.242 1.00 30.42 C ATOM 704 C GLU A 47 -9.129 -6.579 -2.365 1.00 3.14 C ATOM 705 O GLU A 47 -9.530 -7.599 -1.782 1.00 30.34 O ATOM 706 CB GLU A 47 -8.285 -6.715 -4.720 1.00 3.54 C ATOM 707 CG GLU A 47 -8.969 -8.019 -5.120 1.00 62.14 C ATOM 708 CD GLU A 47 -8.054 -9.219 -5.087 1.00 74.10 C ATOM 709 OE1 GLU A 47 -7.299 -9.416 -6.047 1.00 42.31 O ATOM 710 OE2 GLU A 47 -8.056 -9.971 -4.087 1.00 64.13 O ATOM 0 H GLU A 47 -6.757 -8.334 -3.499 1.00 64.34 H new ATOM 0 HA GLU A 47 -7.372 -5.640 -3.123 1.00 30.42 H new ATOM 0 HB2 GLU A 47 -8.950 -5.888 -4.967 1.00 3.54 H new ATOM 0 HB3 GLU A 47 -7.388 -6.596 -5.328 1.00 3.54 H new ATOM 0 HG2 GLU A 47 -9.811 -8.197 -4.452 1.00 62.14 H new ATOM 0 HG3 GLU A 47 -9.377 -7.912 -6.125 1.00 62.14 H new ATOM 717 N GLY A 48 -9.716 -5.426 -2.264 1.00 13.53 N ATOM 718 CA GLY A 48 -10.908 -5.257 -1.456 1.00 0.13 C ATOM 719 C GLY A 48 -10.593 -4.864 -0.022 1.00 55.01 C ATOM 720 O GLY A 48 -11.472 -4.428 0.723 1.00 22.33 O ATOM 0 H GLY A 48 -9.395 -4.577 -2.730 1.00 13.53 H new ATOM 0 HA2 GLY A 48 -11.542 -4.494 -1.907 1.00 0.13 H new ATOM 0 HA3 GLY A 48 -11.478 -6.186 -1.457 1.00 0.13 H new ATOM 724 N GLN A 49 -9.346 -5.022 0.371 1.00 12.44 N ATOM 725 CA GLN A 49 -8.922 -4.679 1.701 1.00 53.21 C ATOM 726 C GLN A 49 -8.709 -3.214 1.835 1.00 75.11 C ATOM 727 O GLN A 49 -7.855 -2.647 1.171 1.00 21.22 O ATOM 728 CB GLN A 49 -7.636 -5.405 2.058 1.00 22.42 C ATOM 729 CG GLN A 49 -7.781 -6.894 2.237 1.00 41.14 C ATOM 730 CD GLN A 49 -8.332 -7.345 3.592 1.00 54.13 C ATOM 731 OE1 GLN A 49 -7.993 -8.430 4.069 1.00 24.40 O ATOM 732 NE2 GLN A 49 -9.150 -6.549 4.231 1.00 54.32 N ATOM 0 H GLN A 49 -8.605 -5.391 -0.225 1.00 12.44 H new ATOM 0 HA GLN A 49 -9.714 -4.986 2.385 1.00 53.21 H new ATOM 0 HB2 GLN A 49 -6.900 -5.217 1.276 1.00 22.42 H new ATOM 0 HB3 GLN A 49 -7.238 -4.979 2.979 1.00 22.42 H new ATOM 0 HG2 GLN A 49 -8.436 -7.274 1.453 1.00 41.14 H new ATOM 0 HG3 GLN A 49 -6.805 -7.357 2.089 1.00 41.14 H new ATOM 0 HE21 GLN A 49 -9.418 -5.655 3.819 1.00 54.32 H new ATOM 0 HE22 GLN A 49 -9.520 -6.822 5.142 1.00 54.32 H new ATOM 741 N ASP A 50 -9.481 -2.610 2.667 1.00 51.01 N ATOM 742 CA ASP A 50 -9.280 -1.225 2.983 1.00 42.42 C ATOM 743 C ASP A 50 -8.094 -1.151 3.882 1.00 24.11 C ATOM 744 O ASP A 50 -8.004 -1.899 4.880 1.00 33.32 O ATOM 745 CB ASP A 50 -10.492 -0.593 3.659 1.00 71.03 C ATOM 746 CG ASP A 50 -11.708 -0.505 2.774 1.00 33.44 C ATOM 747 OD1 ASP A 50 -11.848 0.500 2.039 1.00 31.20 O ATOM 748 OD2 ASP A 50 -12.560 -1.417 2.825 1.00 23.50 O ATOM 0 H ASP A 50 -10.265 -3.050 3.149 1.00 51.01 H new ATOM 0 HA ASP A 50 -9.125 -0.665 2.061 1.00 42.42 H new ATOM 0 HB2 ASP A 50 -10.743 -1.172 4.548 1.00 71.03 H new ATOM 0 HB3 ASP A 50 -10.226 0.409 3.996 1.00 71.03 H new ATOM 753 N VAL A 51 -7.190 -0.306 3.554 1.00 15.51 N ATOM 754 CA VAL A 51 -5.966 -0.239 4.241 1.00 75.44 C ATOM 755 C VAL A 51 -5.566 1.202 4.499 1.00 32.15 C ATOM 756 O VAL A 51 -5.879 2.113 3.734 1.00 33.51 O ATOM 757 CB VAL A 51 -4.859 -1.014 3.464 1.00 43.31 C ATOM 758 CG1 VAL A 51 -4.555 -0.389 2.099 1.00 51.52 C ATOM 759 CG2 VAL A 51 -3.607 -1.197 4.300 1.00 31.25 C ATOM 0 H VAL A 51 -7.285 0.365 2.791 1.00 15.51 H new ATOM 0 HA VAL A 51 -6.088 -0.720 5.212 1.00 75.44 H new ATOM 0 HB VAL A 51 -5.257 -2.009 3.263 1.00 43.31 H new ATOM 0 HG11 VAL A 51 -3.777 -0.967 1.599 1.00 51.52 H new ATOM 0 HG12 VAL A 51 -5.458 -0.392 1.488 1.00 51.52 H new ATOM 0 HG13 VAL A 51 -4.213 0.637 2.237 1.00 51.52 H new ATOM 0 HG21 VAL A 51 -2.860 -1.742 3.722 1.00 31.25 H new ATOM 0 HG22 VAL A 51 -3.210 -0.221 4.578 1.00 31.25 H new ATOM 0 HG23 VAL A 51 -3.850 -1.760 5.201 1.00 31.25 H new ATOM 769 N ILE A 52 -4.913 1.378 5.577 1.00 25.52 N ATOM 770 CA ILE A 52 -4.437 2.644 6.028 1.00 32.45 C ATOM 771 C ILE A 52 -2.937 2.603 5.889 1.00 23.45 C ATOM 772 O ILE A 52 -2.302 1.650 6.361 1.00 71.32 O ATOM 773 CB ILE A 52 -4.797 2.843 7.523 1.00 0.41 C ATOM 774 CG1 ILE A 52 -6.306 2.623 7.739 1.00 51.21 C ATOM 775 CG2 ILE A 52 -4.390 4.242 7.989 1.00 51.44 C ATOM 776 CD1 ILE A 52 -6.727 2.613 9.191 1.00 4.43 C ATOM 0 H ILE A 52 -4.678 0.612 6.209 1.00 25.52 H new ATOM 0 HA ILE A 52 -4.881 3.457 5.454 1.00 32.45 H new ATOM 0 HB ILE A 52 -4.248 2.110 8.115 1.00 0.41 H new ATOM 0 HG12 ILE A 52 -6.855 3.408 7.218 1.00 51.21 H new ATOM 0 HG13 ILE A 52 -6.593 1.676 7.282 1.00 51.21 H new ATOM 0 HG21 ILE A 52 -4.650 4.365 9.040 1.00 51.44 H new ATOM 0 HG22 ILE A 52 -3.315 4.369 7.864 1.00 51.44 H new ATOM 0 HG23 ILE A 52 -4.915 4.990 7.395 1.00 51.44 H new ATOM 0 HD11 ILE A 52 -7.803 2.453 9.257 1.00 4.43 H new ATOM 0 HD12 ILE A 52 -6.208 1.810 9.715 1.00 4.43 H new ATOM 0 HD13 ILE A 52 -6.474 3.569 9.650 1.00 4.43 H new ATOM 788 N PHE A 53 -2.369 3.571 5.239 1.00 72.53 N ATOM 789 CA PHE A 53 -0.941 3.565 5.042 1.00 22.05 C ATOM 790 C PHE A 53 -0.376 4.937 5.141 1.00 64.13 C ATOM 791 O PHE A 53 -1.103 5.913 5.301 1.00 64.24 O ATOM 792 CB PHE A 53 -0.560 2.949 3.685 1.00 65.42 C ATOM 793 CG PHE A 53 -1.167 3.620 2.489 1.00 71.23 C ATOM 794 CD1 PHE A 53 -2.440 3.294 2.068 1.00 14.54 C ATOM 795 CD2 PHE A 53 -0.453 4.568 1.777 1.00 40.21 C ATOM 796 CE1 PHE A 53 -2.984 3.892 0.964 1.00 73.43 C ATOM 797 CE2 PHE A 53 -0.997 5.170 0.674 1.00 3.15 C ATOM 798 CZ PHE A 53 -2.263 4.832 0.266 1.00 13.32 C ATOM 0 H PHE A 53 -2.860 4.370 4.837 1.00 72.53 H new ATOM 0 HA PHE A 53 -0.517 2.950 5.836 1.00 22.05 H new ATOM 0 HB2 PHE A 53 0.525 2.973 3.584 1.00 65.42 H new ATOM 0 HB3 PHE A 53 -0.857 1.900 3.683 1.00 65.42 H new ATOM 0 HD1 PHE A 53 -3.013 2.560 2.615 1.00 14.54 H new ATOM 0 HD2 PHE A 53 0.544 4.836 2.095 1.00 40.21 H new ATOM 0 HE1 PHE A 53 -3.980 3.626 0.641 1.00 73.43 H new ATOM 0 HE2 PHE A 53 -0.431 5.909 0.126 1.00 3.15 H new ATOM 0 HZ PHE A 53 -2.693 5.305 -0.604 1.00 13.32 H new ATOM 808 N ASP A 54 0.904 5.003 5.047 1.00 22.14 N ATOM 809 CA ASP A 54 1.617 6.221 5.049 1.00 31.13 C ATOM 810 C ASP A 54 2.379 6.258 3.762 1.00 43.20 C ATOM 811 O ASP A 54 2.877 5.222 3.300 1.00 23.31 O ATOM 812 CB ASP A 54 2.551 6.297 6.264 1.00 62.13 C ATOM 813 CG ASP A 54 1.790 6.242 7.582 1.00 15.34 C ATOM 814 OD1 ASP A 54 1.314 5.166 7.961 1.00 11.34 O ATOM 815 OD2 ASP A 54 1.675 7.276 8.271 1.00 24.22 O ATOM 0 H ASP A 54 1.500 4.180 4.964 1.00 22.14 H new ATOM 0 HA ASP A 54 0.950 7.080 5.125 1.00 31.13 H new ATOM 0 HB2 ASP A 54 3.264 5.473 6.224 1.00 62.13 H new ATOM 0 HB3 ASP A 54 3.128 7.220 6.219 1.00 62.13 H new ATOM 820 N LEU A 55 2.442 7.396 3.160 1.00 33.43 N ATOM 821 CA LEU A 55 3.044 7.527 1.866 1.00 11.54 C ATOM 822 C LEU A 55 4.178 8.493 1.876 1.00 44.25 C ATOM 823 O LEU A 55 4.024 9.682 2.221 1.00 1.54 O ATOM 824 CB LEU A 55 1.988 7.901 0.833 1.00 33.05 C ATOM 825 CG LEU A 55 2.439 8.245 -0.590 1.00 62.44 C ATOM 826 CD1 LEU A 55 3.339 7.179 -1.133 1.00 55.13 C ATOM 827 CD2 LEU A 55 1.221 8.392 -1.494 1.00 23.41 C ATOM 0 H LEU A 55 2.079 8.267 3.547 1.00 33.43 H new ATOM 0 HA LEU A 55 3.467 6.562 1.587 1.00 11.54 H new ATOM 0 HB2 LEU A 55 1.284 7.072 0.765 1.00 33.05 H new ATOM 0 HB3 LEU A 55 1.435 8.757 1.220 1.00 33.05 H new ATOM 0 HG LEU A 55 2.990 9.185 -0.560 1.00 62.44 H new ATOM 0 HD11 LEU A 55 3.647 7.444 -2.144 1.00 55.13 H new ATOM 0 HD12 LEU A 55 4.220 7.088 -0.497 1.00 55.13 H new ATOM 0 HD13 LEU A 55 2.806 6.228 -1.153 1.00 55.13 H new ATOM 0 HD21 LEU A 55 1.546 8.637 -2.505 1.00 23.41 H new ATOM 0 HD22 LEU A 55 0.664 7.455 -1.509 1.00 23.41 H new ATOM 0 HD23 LEU A 55 0.581 9.189 -1.116 1.00 23.41 H new ATOM 839 N GLU A 56 5.296 7.988 1.488 1.00 11.12 N ATOM 840 CA GLU A 56 6.510 8.734 1.412 1.00 0.13 C ATOM 841 C GLU A 56 6.883 8.938 -0.029 1.00 52.24 C ATOM 842 O GLU A 56 6.355 8.275 -0.926 1.00 1.53 O ATOM 843 CB GLU A 56 7.636 8.027 2.142 1.00 41.21 C ATOM 844 CG GLU A 56 7.368 7.784 3.608 1.00 74.41 C ATOM 845 CD GLU A 56 7.139 9.054 4.402 1.00 45.32 C ATOM 846 OE1 GLU A 56 5.995 9.533 4.480 1.00 14.31 O ATOM 847 OE2 GLU A 56 8.107 9.590 4.970 1.00 22.52 O ATOM 0 H GLU A 56 5.398 7.013 1.205 1.00 11.12 H new ATOM 0 HA GLU A 56 6.352 9.699 1.892 1.00 0.13 H new ATOM 0 HB2 GLU A 56 7.825 7.070 1.655 1.00 41.21 H new ATOM 0 HB3 GLU A 56 8.546 8.619 2.044 1.00 41.21 H new ATOM 0 HG2 GLU A 56 6.493 7.141 3.707 1.00 74.41 H new ATOM 0 HG3 GLU A 56 8.211 7.244 4.038 1.00 74.41 H new ATOM 854 N GLU A 57 7.790 9.817 -0.234 1.00 53.11 N ATOM 855 CA GLU A 57 8.208 10.211 -1.555 1.00 71.12 C ATOM 856 C GLU A 57 9.595 9.612 -1.799 1.00 60.44 C ATOM 857 O GLU A 57 10.513 9.827 -1.000 1.00 74.41 O ATOM 858 CB GLU A 57 8.233 11.756 -1.591 1.00 62.22 C ATOM 859 CG GLU A 57 8.379 12.423 -2.957 1.00 4.22 C ATOM 860 CD GLU A 57 9.659 12.108 -3.668 1.00 40.32 C ATOM 861 OE1 GLU A 57 10.731 12.544 -3.208 1.00 23.31 O ATOM 862 OE2 GLU A 57 9.616 11.418 -4.687 1.00 33.34 O ATOM 0 H GLU A 57 8.282 10.302 0.517 1.00 53.11 H new ATOM 0 HA GLU A 57 7.536 9.855 -2.336 1.00 71.12 H new ATOM 0 HB2 GLU A 57 7.312 12.119 -1.135 1.00 62.22 H new ATOM 0 HB3 GLU A 57 9.055 12.095 -0.961 1.00 62.22 H new ATOM 0 HG2 GLU A 57 7.543 12.118 -3.587 1.00 4.22 H new ATOM 0 HG3 GLU A 57 8.305 13.503 -2.830 1.00 4.22 H new ATOM 869 N LYS A 58 9.751 8.875 -2.878 1.00 24.22 N ATOM 870 CA LYS A 58 11.006 8.203 -3.139 1.00 13.20 C ATOM 871 C LYS A 58 11.573 8.536 -4.531 1.00 31.33 C ATOM 872 O LYS A 58 11.447 7.745 -5.468 1.00 23.11 O ATOM 873 CB LYS A 58 10.833 6.682 -2.953 1.00 2.51 C ATOM 874 CG LYS A 58 12.086 5.852 -3.143 1.00 2.04 C ATOM 875 CD LYS A 58 11.784 4.375 -2.964 1.00 13.23 C ATOM 876 CE LYS A 58 13.021 3.517 -3.182 1.00 23.34 C ATOM 877 NZ LYS A 58 12.723 2.080 -3.022 1.00 40.30 N ATOM 0 H LYS A 58 9.030 8.726 -3.584 1.00 24.22 H new ATOM 0 HA LYS A 58 11.737 8.569 -2.418 1.00 13.20 H new ATOM 0 HB2 LYS A 58 10.446 6.498 -1.951 1.00 2.51 H new ATOM 0 HB3 LYS A 58 10.077 6.332 -3.656 1.00 2.51 H new ATOM 0 HG2 LYS A 58 12.496 6.026 -4.138 1.00 2.04 H new ATOM 0 HG3 LYS A 58 12.846 6.162 -2.426 1.00 2.04 H new ATOM 0 HD2 LYS A 58 11.394 4.202 -1.961 1.00 13.23 H new ATOM 0 HD3 LYS A 58 11.005 4.075 -3.665 1.00 13.23 H new ATOM 0 HE2 LYS A 58 13.418 3.697 -4.181 1.00 23.34 H new ATOM 0 HE3 LYS A 58 13.796 3.809 -2.474 1.00 23.34 H new ATOM 0 HZ1 LYS A 58 13.589 1.526 -3.178 1.00 40.30 H new ATOM 0 HZ2 LYS A 58 12.368 1.904 -2.060 1.00 40.30 H new ATOM 0 HZ3 LYS A 58 12.001 1.796 -3.715 1.00 40.30 H new ATOM 891 N GLN A 59 12.125 9.742 -4.676 1.00 64.41 N ATOM 892 CA GLN A 59 12.807 10.184 -5.923 1.00 34.13 C ATOM 893 C GLN A 59 11.842 10.109 -7.153 1.00 20.43 C ATOM 894 O GLN A 59 12.257 9.881 -8.295 1.00 32.52 O ATOM 895 CB GLN A 59 14.070 9.308 -6.139 1.00 33.14 C ATOM 896 CG GLN A 59 14.976 9.738 -7.284 1.00 24.21 C ATOM 897 CD GLN A 59 16.153 8.816 -7.465 1.00 32.34 C ATOM 898 OE1 GLN A 59 17.215 9.022 -6.875 1.00 41.23 O ATOM 899 NE2 GLN A 59 15.984 7.800 -8.269 1.00 25.32 N ATOM 0 H GLN A 59 12.119 10.449 -3.941 1.00 64.41 H new ATOM 0 HA GLN A 59 13.107 11.227 -5.823 1.00 34.13 H new ATOM 0 HB2 GLN A 59 14.653 9.308 -5.218 1.00 33.14 H new ATOM 0 HB3 GLN A 59 13.753 8.280 -6.316 1.00 33.14 H new ATOM 0 HG2 GLN A 59 14.398 9.770 -8.208 1.00 24.21 H new ATOM 0 HG3 GLN A 59 15.336 10.750 -7.098 1.00 24.21 H new ATOM 0 HE21 GLN A 59 15.089 7.665 -8.739 1.00 25.32 H new ATOM 0 HE22 GLN A 59 16.747 7.142 -8.427 1.00 25.32 H new ATOM 908 N GLY A 60 10.580 10.347 -6.920 1.00 44.30 N ATOM 909 CA GLY A 60 9.608 10.273 -7.991 1.00 43.35 C ATOM 910 C GLY A 60 8.695 9.084 -7.832 1.00 11.35 C ATOM 911 O GLY A 60 7.714 8.925 -8.567 1.00 14.13 O ATOM 0 H GLY A 60 10.197 10.593 -6.007 1.00 44.30 H new ATOM 0 HA2 GLY A 60 9.015 11.188 -8.009 1.00 43.35 H new ATOM 0 HA3 GLY A 60 10.125 10.210 -8.948 1.00 43.35 H new ATOM 915 N LYS A 61 9.018 8.239 -6.890 1.00 74.22 N ATOM 916 CA LYS A 61 8.216 7.087 -6.615 1.00 45.44 C ATOM 917 C LYS A 61 7.281 7.377 -5.463 1.00 43.31 C ATOM 918 O LYS A 61 7.503 8.314 -4.685 1.00 51.11 O ATOM 919 CB LYS A 61 9.084 5.885 -6.264 1.00 11.44 C ATOM 920 CG LYS A 61 10.056 5.491 -7.337 1.00 61.33 C ATOM 921 CD LYS A 61 9.356 5.098 -8.608 1.00 63.54 C ATOM 922 CE LYS A 61 10.367 4.796 -9.660 1.00 43.12 C ATOM 923 NZ LYS A 61 9.747 4.373 -10.922 1.00 71.55 N ATOM 0 H LYS A 61 9.842 8.333 -6.296 1.00 74.22 H new ATOM 0 HA LYS A 61 7.642 6.854 -7.512 1.00 45.44 H new ATOM 0 HB2 LYS A 61 9.638 6.106 -5.352 1.00 11.44 H new ATOM 0 HB3 LYS A 61 8.437 5.035 -6.046 1.00 11.44 H new ATOM 0 HG2 LYS A 61 10.733 6.322 -7.537 1.00 61.33 H new ATOM 0 HG3 LYS A 61 10.667 4.659 -6.986 1.00 61.33 H new ATOM 0 HD2 LYS A 61 8.726 4.226 -8.434 1.00 63.54 H new ATOM 0 HD3 LYS A 61 8.701 5.904 -8.939 1.00 63.54 H new ATOM 0 HE2 LYS A 61 10.980 5.680 -9.837 1.00 43.12 H new ATOM 0 HE3 LYS A 61 11.035 4.011 -9.305 1.00 43.12 H new ATOM 0 HZ1 LYS A 61 10.489 4.174 -11.623 1.00 71.55 H new ATOM 0 HZ2 LYS A 61 9.183 3.514 -10.761 1.00 71.55 H new ATOM 0 HZ3 LYS A 61 9.130 5.131 -11.277 1.00 71.55 H new ATOM 937 N ALA A 62 6.278 6.575 -5.352 1.00 70.22 N ATOM 938 CA ALA A 62 5.285 6.679 -4.321 1.00 32.32 C ATOM 939 C ALA A 62 5.004 5.286 -3.817 1.00 42.22 C ATOM 940 O ALA A 62 4.460 4.458 -4.549 1.00 75.15 O ATOM 941 CB ALA A 62 4.010 7.313 -4.881 1.00 40.40 C ATOM 0 H ALA A 62 6.115 5.800 -5.995 1.00 70.22 H new ATOM 0 HA ALA A 62 5.641 7.311 -3.507 1.00 32.32 H new ATOM 0 HB1 ALA A 62 3.263 7.387 -4.091 1.00 40.40 H new ATOM 0 HB2 ALA A 62 4.236 8.309 -5.262 1.00 40.40 H new ATOM 0 HB3 ALA A 62 3.621 6.695 -5.690 1.00 40.40 H new ATOM 947 N TYR A 63 5.384 5.019 -2.599 1.00 21.42 N ATOM 948 CA TYR A 63 5.229 3.697 -2.040 1.00 65.42 C ATOM 949 C TYR A 63 4.450 3.731 -0.744 1.00 14.52 C ATOM 950 O TYR A 63 4.674 4.590 0.123 1.00 14.10 O ATOM 951 CB TYR A 63 6.589 3.007 -1.856 1.00 61.33 C ATOM 952 CG TYR A 63 7.560 3.699 -0.905 1.00 31.40 C ATOM 953 CD1 TYR A 63 8.025 4.988 -1.141 1.00 31.21 C ATOM 954 CD2 TYR A 63 7.997 3.054 0.231 1.00 12.24 C ATOM 955 CE1 TYR A 63 8.896 5.603 -0.266 1.00 43.43 C ATOM 956 CE2 TYR A 63 8.869 3.665 1.111 1.00 43.23 C ATOM 957 CZ TYR A 63 9.315 4.936 0.856 1.00 43.33 C ATOM 958 OH TYR A 63 10.185 5.550 1.735 1.00 54.45 O ATOM 0 H TYR A 63 5.806 5.700 -1.968 1.00 21.42 H new ATOM 0 HA TYR A 63 4.652 3.106 -2.752 1.00 65.42 H new ATOM 0 HB2 TYR A 63 6.415 1.994 -1.494 1.00 61.33 H new ATOM 0 HB3 TYR A 63 7.066 2.919 -2.832 1.00 61.33 H new ATOM 0 HD1 TYR A 63 7.699 5.517 -2.024 1.00 31.21 H new ATOM 0 HD2 TYR A 63 7.651 2.052 0.437 1.00 12.24 H new ATOM 0 HE1 TYR A 63 9.246 6.605 -0.464 1.00 43.43 H new ATOM 0 HE2 TYR A 63 9.198 3.143 1.997 1.00 43.23 H new ATOM 0 HH TYR A 63 10.382 4.942 2.478 1.00 54.45 H new ATOM 968 N ALA A 64 3.545 2.817 -0.636 1.00 62.32 N ATOM 969 CA ALA A 64 2.674 2.699 0.508 1.00 74.14 C ATOM 970 C ALA A 64 3.330 1.846 1.565 1.00 50.40 C ATOM 971 O ALA A 64 3.718 0.695 1.308 1.00 33.12 O ATOM 972 CB ALA A 64 1.330 2.113 0.091 1.00 2.43 C ATOM 0 H ALA A 64 3.378 2.110 -1.352 1.00 62.32 H new ATOM 0 HA ALA A 64 2.495 3.690 0.925 1.00 74.14 H new ATOM 0 HB1 ALA A 64 0.683 2.030 0.964 1.00 2.43 H new ATOM 0 HB2 ALA A 64 0.862 2.765 -0.647 1.00 2.43 H new ATOM 0 HB3 ALA A 64 1.483 1.125 -0.343 1.00 2.43 H new ATOM 978 N VAL A 65 3.462 2.406 2.743 1.00 35.40 N ATOM 979 CA VAL A 65 4.119 1.743 3.863 1.00 2.14 C ATOM 980 C VAL A 65 3.361 1.943 5.148 1.00 2.21 C ATOM 981 O VAL A 65 2.354 2.646 5.167 1.00 52.32 O ATOM 982 CB VAL A 65 5.591 2.205 4.071 1.00 41.22 C ATOM 983 CG1 VAL A 65 6.473 1.746 2.933 1.00 31.13 C ATOM 984 CG2 VAL A 65 5.667 3.722 4.223 1.00 2.13 C ATOM 0 H VAL A 65 3.117 3.341 2.961 1.00 35.40 H new ATOM 0 HA VAL A 65 4.129 0.685 3.601 1.00 2.14 H new ATOM 0 HB VAL A 65 5.955 1.746 4.990 1.00 41.22 H new ATOM 0 HG11 VAL A 65 7.495 2.083 3.106 1.00 31.13 H new ATOM 0 HG12 VAL A 65 6.455 0.658 2.875 1.00 31.13 H new ATOM 0 HG13 VAL A 65 6.106 2.165 1.996 1.00 31.13 H new ATOM 0 HG21 VAL A 65 6.705 4.022 4.367 1.00 2.13 H new ATOM 0 HG22 VAL A 65 5.273 4.198 3.325 1.00 2.13 H new ATOM 0 HG23 VAL A 65 5.077 4.031 5.086 1.00 2.13 H new ATOM 994 N ASN A 66 3.861 1.295 6.221 1.00 24.44 N ATOM 995 CA ASN A 66 3.297 1.394 7.590 1.00 33.31 C ATOM 996 C ASN A 66 1.830 0.964 7.539 1.00 40.00 C ATOM 997 O ASN A 66 0.961 1.522 8.208 1.00 74.32 O ATOM 998 CB ASN A 66 3.420 2.849 8.088 1.00 24.43 C ATOM 999 CG ASN A 66 3.320 2.992 9.614 1.00 4.03 C ATOM 1000 OD1 ASN A 66 4.333 2.923 10.317 1.00 32.14 O ATOM 1001 ND2 ASN A 66 2.141 3.208 10.127 1.00 63.51 N ATOM 0 H ASN A 66 4.675 0.682 6.164 1.00 24.44 H new ATOM 0 HA ASN A 66 3.840 0.747 8.279 1.00 33.31 H new ATOM 0 HB2 ASN A 66 4.374 3.257 7.756 1.00 24.43 H new ATOM 0 HB3 ASN A 66 2.638 3.449 7.624 1.00 24.43 H new ATOM 0 HD21 ASN A 66 2.037 3.325 11.135 1.00 63.51 H new ATOM 0 HD22 ASN A 66 1.323 3.260 9.520 1.00 63.51 H new ATOM 1008 N LEU A 67 1.587 -0.074 6.756 1.00 11.00 N ATOM 1009 CA LEU A 67 0.251 -0.535 6.482 1.00 21.42 C ATOM 1010 C LEU A 67 -0.472 -1.010 7.714 1.00 1.11 C ATOM 1011 O LEU A 67 0.100 -1.655 8.600 1.00 71.32 O ATOM 1012 CB LEU A 67 0.242 -1.667 5.484 1.00 74.14 C ATOM 1013 CG LEU A 67 0.912 -1.451 4.142 1.00 61.22 C ATOM 1014 CD1 LEU A 67 0.608 -2.601 3.288 1.00 61.14 C ATOM 1015 CD2 LEU A 67 0.459 -0.185 3.471 1.00 44.21 C ATOM 0 H LEU A 67 2.317 -0.617 6.295 1.00 11.00 H new ATOM 0 HA LEU A 67 -0.265 0.335 6.076 1.00 21.42 H new ATOM 0 HB2 LEU A 67 0.714 -2.529 5.956 1.00 74.14 H new ATOM 0 HB3 LEU A 67 -0.798 -1.936 5.296 1.00 74.14 H new ATOM 0 HG LEU A 67 1.985 -1.355 4.305 1.00 61.22 H new ATOM 0 HD11 LEU A 67 1.081 -2.467 2.315 1.00 61.14 H new ATOM 0 HD12 LEU A 67 0.988 -3.510 3.754 1.00 61.14 H new ATOM 0 HD13 LEU A 67 -0.471 -2.683 3.159 1.00 61.14 H new ATOM 0 HD21 LEU A 67 0.969 -0.078 2.514 1.00 44.21 H new ATOM 0 HD22 LEU A 67 -0.618 -0.226 3.306 1.00 44.21 H new ATOM 0 HD23 LEU A 67 0.697 0.668 4.106 1.00 44.21 H new ATOM 1027 N ARG A 68 -1.715 -0.708 7.739 1.00 0.03 N ATOM 1028 CA ARG A 68 -2.602 -1.130 8.759 1.00 50.14 C ATOM 1029 C ARG A 68 -3.919 -1.403 8.094 1.00 5.31 C ATOM 1030 O ARG A 68 -4.396 -0.581 7.338 1.00 33.32 O ATOM 1031 CB ARG A 68 -2.775 -0.012 9.810 1.00 45.45 C ATOM 1032 CG ARG A 68 -3.689 -0.361 10.956 1.00 75.33 C ATOM 1033 CD ARG A 68 -3.125 -1.519 11.742 1.00 15.13 C ATOM 1034 NE ARG A 68 -1.806 -1.205 12.301 1.00 71.24 N ATOM 1035 CZ ARG A 68 -0.896 -2.105 12.682 1.00 51.23 C ATOM 1036 NH1 ARG A 68 -1.170 -3.412 12.614 1.00 72.22 N ATOM 1037 NH2 ARG A 68 0.278 -1.695 13.155 1.00 31.22 N ATOM 0 H ARG A 68 -2.162 -0.137 7.022 1.00 0.03 H new ATOM 0 HA ARG A 68 -2.219 -2.015 9.268 1.00 50.14 H new ATOM 0 HB2 ARG A 68 -1.795 0.246 10.211 1.00 45.45 H new ATOM 0 HB3 ARG A 68 -3.161 0.878 9.313 1.00 45.45 H new ATOM 0 HG2 ARG A 68 -3.813 0.504 11.608 1.00 75.33 H new ATOM 0 HG3 ARG A 68 -4.678 -0.618 10.576 1.00 75.33 H new ATOM 0 HD2 ARG A 68 -3.810 -1.779 12.549 1.00 15.13 H new ATOM 0 HD3 ARG A 68 -3.048 -2.394 11.096 1.00 15.13 H new ATOM 0 HE ARG A 68 -1.564 -0.220 12.407 1.00 71.24 H new ATOM 0 HH11 ARG A 68 -2.078 -3.726 12.270 1.00 72.22 H new ATOM 0 HH12 ARG A 68 -0.471 -4.095 12.906 1.00 72.22 H new ATOM 0 HH21 ARG A 68 0.479 -0.698 13.225 1.00 31.22 H new ATOM 0 HH22 ARG A 68 0.977 -2.378 13.447 1.00 31.22 H new ATOM 1051 N ILE A 69 -4.499 -2.534 8.350 1.00 10.33 N ATOM 1052 CA ILE A 69 -5.783 -2.816 7.778 1.00 53.33 C ATOM 1053 C ILE A 69 -6.874 -2.062 8.504 1.00 75.53 C ATOM 1054 O ILE A 69 -6.782 -1.851 9.713 1.00 55.11 O ATOM 1055 CB ILE A 69 -6.085 -4.351 7.608 1.00 72.21 C ATOM 1056 CG1 ILE A 69 -5.770 -5.199 8.875 1.00 41.35 C ATOM 1057 CG2 ILE A 69 -5.352 -4.907 6.405 1.00 72.32 C ATOM 1058 CD1 ILE A 69 -6.646 -4.939 10.074 1.00 14.43 C ATOM 0 H ILE A 69 -4.113 -3.269 8.942 1.00 10.33 H new ATOM 0 HA ILE A 69 -5.759 -2.444 6.754 1.00 53.33 H new ATOM 0 HB ILE A 69 -7.161 -4.429 7.452 1.00 72.21 H new ATOM 0 HG12 ILE A 69 -5.850 -6.254 8.612 1.00 41.35 H new ATOM 0 HG13 ILE A 69 -4.733 -5.020 9.160 1.00 41.35 H new ATOM 0 HG21 ILE A 69 -5.573 -5.970 6.303 1.00 72.32 H new ATOM 0 HG22 ILE A 69 -5.676 -4.382 5.507 1.00 72.32 H new ATOM 0 HG23 ILE A 69 -4.279 -4.771 6.538 1.00 72.32 H new ATOM 0 HD11 ILE A 69 -6.337 -5.584 10.897 1.00 14.43 H new ATOM 0 HD12 ILE A 69 -6.550 -3.896 10.375 1.00 14.43 H new ATOM 0 HD13 ILE A 69 -7.685 -5.149 9.818 1.00 14.43 H new ATOM 1070 N LYS A 70 -7.831 -1.574 7.746 1.00 44.12 N ATOM 1071 CA LYS A 70 -8.968 -0.847 8.275 1.00 12.04 C ATOM 1072 C LYS A 70 -9.760 -1.714 9.248 1.00 73.03 C ATOM 1073 O LYS A 70 -10.517 -2.595 8.786 1.00 38.68 O ATOM 1074 CB LYS A 70 -9.879 -0.392 7.144 1.00 23.33 C ATOM 1075 CG LYS A 70 -11.042 0.441 7.616 1.00 51.24 C ATOM 1076 CD LYS A 70 -11.924 0.861 6.470 1.00 42.12 C ATOM 1077 CE LYS A 70 -13.144 1.611 6.955 1.00 41.22 C ATOM 1078 NZ LYS A 70 -14.011 2.022 5.832 1.00 14.13 N ATOM 1079 OXT LYS A 70 -9.652 -1.505 10.470 1.00 38.68 O ATOM 0 H LYS A 70 -7.843 -1.671 6.731 1.00 44.12 H new ATOM 0 HA LYS A 70 -8.590 0.026 8.807 1.00 12.04 H new ATOM 0 HB2 LYS A 70 -9.296 0.184 6.426 1.00 23.33 H new ATOM 0 HB3 LYS A 70 -10.258 -1.268 6.617 1.00 23.33 H new ATOM 0 HG2 LYS A 70 -11.628 -0.128 8.338 1.00 51.24 H new ATOM 0 HG3 LYS A 70 -10.671 1.326 8.133 1.00 51.24 H new ATOM 0 HD2 LYS A 70 -11.357 1.491 5.785 1.00 42.12 H new ATOM 0 HD3 LYS A 70 -12.236 -0.019 5.908 1.00 42.12 H new ATOM 0 HE2 LYS A 70 -13.710 0.981 7.641 1.00 41.22 H new ATOM 0 HE3 LYS A 70 -12.831 2.492 7.516 1.00 41.22 H new ATOM 0 HZ1 LYS A 70 -14.838 2.534 6.201 1.00 14.13 H new ATOM 0 HZ2 LYS A 70 -13.477 2.643 5.191 1.00 14.13 H new ATOM 0 HZ3 LYS A 70 -14.329 1.179 5.312 1.00 14.13 H new