USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HE2:sc= -0.173 K(o=-0.37,f=0.24) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= -0.195 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.694 K(o=-0.25,f=-4.8!) USER MOD Set 2.2: A 25 ASN : amide:sc= 0.449 K(o=-0.25,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.26 (180deg=1) 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+ -176:sc= 1.24 (180deg=1.23) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= 1.15 (180deg=1.05) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.25) USER MOD Single : A 14 SER OG : rot 180:sc=0.000448 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 17 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.85) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0156 (180deg=-0.122) USER MOD Single : A 43 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.017) USER MOD Single : A 44 SER OG : rot -111:sc= 1.33 USER MOD Single : A 49 GLN : amide:sc= -2! K(o=-2!,f=-0.024) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.246) USER MOD Single : A 59 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.64) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.041 12.017 2.634 1.00 12.15 N ATOM 2 CA MET A 1 5.563 12.065 3.997 1.00 52.42 C ATOM 3 C MET A 1 4.119 12.530 4.073 1.00 43.14 C ATOM 4 O MET A 1 3.813 13.715 4.037 1.00 45.03 O ATOM 5 CB MET A 1 6.491 12.900 4.916 1.00 35.50 C ATOM 6 CG MET A 1 6.706 14.349 4.492 1.00 64.10 C ATOM 7 SD MET A 1 7.781 15.245 5.628 1.00 31.53 S ATOM 8 CE MET A 1 7.814 16.863 4.858 1.00 23.03 C ATOM 0 H1 MET A 1 6.986 11.584 2.613 1.00 12.15 H new ATOM 0 H2 MET A 1 5.388 11.450 2.057 1.00 12.15 H new ATOM 0 H3 MET A 1 6.093 12.982 2.250 1.00 12.15 H new ATOM 0 HA MET A 1 5.590 11.043 4.375 1.00 52.42 H new ATOM 0 HB2 MET A 1 6.077 12.893 5.924 1.00 35.50 H new ATOM 0 HB3 MET A 1 7.462 12.407 4.967 1.00 35.50 H new ATOM 0 HG2 MET A 1 7.139 14.372 3.492 1.00 64.10 H new ATOM 0 HG3 MET A 1 5.742 14.854 4.433 1.00 64.10 H new ATOM 0 HE1 MET A 1 8.441 17.533 5.446 1.00 23.03 H new ATOM 0 HE2 MET A 1 8.220 16.778 3.850 1.00 23.03 H new ATOM 0 HE3 MET A 1 6.801 17.263 4.809 1.00 23.03 H new ATOM 20 N ALA A 2 3.247 11.569 4.106 1.00 20.15 N ATOM 21 CA ALA A 2 1.838 11.779 4.290 1.00 14.23 C ATOM 22 C ALA A 2 1.383 10.680 5.198 1.00 64.41 C ATOM 23 O ALA A 2 1.640 9.509 4.914 1.00 2.24 O ATOM 24 CB ALA A 2 1.107 11.727 2.954 1.00 42.43 C ATOM 0 H ALA A 2 3.501 10.587 4.003 1.00 20.15 H new ATOM 0 HA ALA A 2 1.627 12.759 4.717 1.00 14.23 H new ATOM 0 HB1 ALA A 2 0.041 11.888 3.116 1.00 42.43 H new ATOM 0 HB2 ALA A 2 1.496 12.504 2.296 1.00 42.43 H new ATOM 0 HB3 ALA A 2 1.260 10.751 2.493 1.00 42.43 H new ATOM 30 N THR A 3 0.767 11.022 6.285 1.00 13.22 N ATOM 31 CA THR A 3 0.430 10.034 7.267 1.00 34.12 C ATOM 32 C THR A 3 -1.047 9.746 7.338 1.00 52.35 C ATOM 33 O THR A 3 -1.883 10.627 7.081 1.00 12.10 O ATOM 34 CB THR A 3 0.984 10.406 8.654 1.00 10.22 C ATOM 35 OG1 THR A 3 0.508 11.704 9.058 1.00 52.03 O ATOM 36 CG2 THR A 3 2.498 10.413 8.617 1.00 53.32 C ATOM 0 H THR A 3 0.487 11.975 6.517 1.00 13.22 H new ATOM 0 HA THR A 3 0.910 9.112 6.939 1.00 34.12 H new ATOM 0 HB THR A 3 0.639 9.664 9.374 1.00 10.22 H new ATOM 0 HG1 THR A 3 0.868 11.924 9.942 1.00 52.03 H new ATOM 0 HG21 THR A 3 2.885 10.677 9.601 1.00 53.32 H new ATOM 0 HG22 THR A 3 2.860 9.423 8.338 1.00 53.32 H new ATOM 0 HG23 THR A 3 2.841 11.144 7.885 1.00 53.32 H new ATOM 44 N ASN A 4 -1.347 8.496 7.689 1.00 64.15 N ATOM 45 CA ASN A 4 -2.706 7.968 7.814 1.00 15.41 C ATOM 46 C ASN A 4 -3.526 8.217 6.578 1.00 5.24 C ATOM 47 O ASN A 4 -4.340 9.150 6.503 1.00 34.33 O ATOM 48 CB ASN A 4 -3.434 8.426 9.091 1.00 72.30 C ATOM 49 CG ASN A 4 -2.754 7.946 10.361 1.00 10.30 C ATOM 50 OD1 ASN A 4 -3.036 6.851 10.859 1.00 61.15 O ATOM 51 ND2 ASN A 4 -1.874 8.750 10.901 1.00 51.13 N ATOM 0 H ASN A 4 -0.630 7.802 7.901 1.00 64.15 H new ATOM 0 HA ASN A 4 -2.589 6.889 7.916 1.00 15.41 H new ATOM 0 HB2 ASN A 4 -3.488 9.515 9.102 1.00 72.30 H new ATOM 0 HB3 ASN A 4 -4.459 8.056 9.071 1.00 72.30 H new ATOM 0 HD21 ASN A 4 -1.396 8.480 11.761 1.00 51.13 H new ATOM 0 HD22 ASN A 4 -1.666 9.647 10.462 1.00 51.13 H new ATOM 58 N ILE A 5 -3.254 7.441 5.588 1.00 43.53 N ATOM 59 CA ILE A 5 -3.914 7.549 4.338 1.00 12.22 C ATOM 60 C ILE A 5 -4.942 6.470 4.202 1.00 54.50 C ATOM 61 O ILE A 5 -4.737 5.341 4.651 1.00 13.14 O ATOM 62 CB ILE A 5 -2.912 7.424 3.180 1.00 5.33 C ATOM 63 CG1 ILE A 5 -1.831 8.476 3.321 1.00 44.54 C ATOM 64 CG2 ILE A 5 -3.608 7.521 1.814 1.00 74.45 C ATOM 65 CD1 ILE A 5 -0.887 8.496 2.182 1.00 25.32 C ATOM 0 H ILE A 5 -2.554 6.701 5.627 1.00 43.53 H new ATOM 0 HA ILE A 5 -4.394 8.527 4.297 1.00 12.22 H new ATOM 0 HB ILE A 5 -2.451 6.437 3.230 1.00 5.33 H new ATOM 0 HG12 ILE A 5 -2.297 9.457 3.416 1.00 44.54 H new ATOM 0 HG13 ILE A 5 -1.276 8.297 4.242 1.00 44.54 H new ATOM 0 HG21 ILE A 5 -2.867 7.428 1.020 1.00 74.45 H new ATOM 0 HG22 ILE A 5 -4.341 6.720 1.721 1.00 74.45 H new ATOM 0 HG23 ILE A 5 -4.111 8.484 1.730 1.00 74.45 H new ATOM 0 HD11 ILE A 5 -0.138 9.271 2.344 1.00 25.32 H new ATOM 0 HD12 ILE A 5 -0.395 7.527 2.100 1.00 25.32 H new ATOM 0 HD13 ILE A 5 -1.432 8.705 1.261 1.00 25.32 H new ATOM 77 N VAL A 6 -6.020 6.819 3.591 1.00 31.31 N ATOM 78 CA VAL A 6 -7.061 5.889 3.309 1.00 20.34 C ATOM 79 C VAL A 6 -6.842 5.289 1.959 1.00 44.44 C ATOM 80 O VAL A 6 -6.522 5.995 0.992 1.00 55.15 O ATOM 81 CB VAL A 6 -8.459 6.549 3.317 1.00 43.31 C ATOM 82 CG1 VAL A 6 -9.529 5.580 2.793 1.00 4.21 C ATOM 83 CG2 VAL A 6 -8.813 7.033 4.710 1.00 15.11 C ATOM 0 H VAL A 6 -6.207 7.768 3.269 1.00 31.31 H new ATOM 0 HA VAL A 6 -7.031 5.131 4.092 1.00 20.34 H new ATOM 0 HB VAL A 6 -8.429 7.410 2.650 1.00 43.31 H new ATOM 0 HG11 VAL A 6 -10.503 6.070 2.809 1.00 4.21 H new ATOM 0 HG12 VAL A 6 -9.287 5.288 1.771 1.00 4.21 H new ATOM 0 HG13 VAL A 6 -9.558 4.693 3.426 1.00 4.21 H new ATOM 0 HG21 VAL A 6 -9.800 7.494 4.695 1.00 15.11 H new ATOM 0 HG22 VAL A 6 -8.818 6.188 5.398 1.00 15.11 H new ATOM 0 HG23 VAL A 6 -8.075 7.765 5.039 1.00 15.11 H new ATOM 93 N GLY A 7 -6.966 4.020 1.896 1.00 13.31 N ATOM 94 CA GLY A 7 -6.966 3.363 0.664 1.00 62.52 C ATOM 95 C GLY A 7 -7.515 1.994 0.762 1.00 61.30 C ATOM 96 O GLY A 7 -7.827 1.513 1.836 1.00 73.35 O ATOM 0 H GLY A 7 -7.071 3.410 2.707 1.00 13.31 H new ATOM 0 HA2 GLY A 7 -7.553 3.938 -0.052 1.00 62.52 H new ATOM 0 HA3 GLY A 7 -5.948 3.318 0.278 1.00 62.52 H new ATOM 100 N LYS A 8 -7.682 1.408 -0.344 1.00 73.52 N ATOM 101 CA LYS A 8 -8.098 0.064 -0.465 1.00 40.14 C ATOM 102 C LYS A 8 -7.070 -0.680 -1.277 1.00 72.31 C ATOM 103 O LYS A 8 -6.473 -0.115 -2.203 1.00 61.41 O ATOM 104 CB LYS A 8 -9.473 -0.005 -1.136 1.00 41.22 C ATOM 105 CG LYS A 8 -9.968 -1.417 -1.404 1.00 12.31 C ATOM 106 CD LYS A 8 -11.345 -1.425 -2.035 1.00 22.30 C ATOM 107 CE LYS A 8 -12.401 -0.894 -1.080 1.00 2.22 C ATOM 108 NZ LYS A 8 -13.753 -0.862 -1.687 1.00 12.53 N ATOM 0 H LYS A 8 -7.527 1.866 -1.242 1.00 73.52 H new ATOM 0 HA LYS A 8 -8.186 -0.393 0.521 1.00 40.14 H new ATOM 0 HB2 LYS A 8 -10.199 0.508 -0.505 1.00 41.22 H new ATOM 0 HB3 LYS A 8 -9.431 0.538 -2.080 1.00 41.22 H new ATOM 0 HG2 LYS A 8 -9.265 -1.929 -2.061 1.00 12.31 H new ATOM 0 HG3 LYS A 8 -9.995 -1.976 -0.468 1.00 12.31 H new ATOM 0 HD2 LYS A 8 -11.334 -0.818 -2.940 1.00 22.30 H new ATOM 0 HD3 LYS A 8 -11.603 -2.441 -2.335 1.00 22.30 H new ATOM 0 HE2 LYS A 8 -12.423 -1.517 -0.186 1.00 2.22 H new ATOM 0 HE3 LYS A 8 -12.126 0.111 -0.762 1.00 2.22 H new ATOM 0 HZ1 LYS A 8 -14.423 -0.430 -1.019 1.00 12.53 H new ATOM 0 HZ2 LYS A 8 -13.727 -0.302 -2.563 1.00 12.53 H new ATOM 0 HZ3 LYS A 8 -14.059 -1.832 -1.905 1.00 12.53 H new ATOM 122 N VAL A 9 -6.830 -1.912 -0.915 1.00 23.41 N ATOM 123 CA VAL A 9 -5.925 -2.739 -1.643 1.00 21.23 C ATOM 124 C VAL A 9 -6.485 -2.949 -3.039 1.00 41.23 C ATOM 125 O VAL A 9 -7.533 -3.582 -3.224 1.00 65.11 O ATOM 126 CB VAL A 9 -5.681 -4.098 -0.938 1.00 51.13 C ATOM 127 CG1 VAL A 9 -4.740 -4.965 -1.755 1.00 13.31 C ATOM 128 CG2 VAL A 9 -5.113 -3.882 0.459 1.00 71.13 C ATOM 0 H VAL A 9 -7.259 -2.364 -0.107 1.00 23.41 H new ATOM 0 HA VAL A 9 -4.957 -2.241 -1.696 1.00 21.23 H new ATOM 0 HB VAL A 9 -6.639 -4.611 -0.851 1.00 51.13 H new ATOM 0 HG11 VAL A 9 -4.582 -5.914 -1.242 1.00 13.31 H new ATOM 0 HG12 VAL A 9 -5.176 -5.151 -2.736 1.00 13.31 H new ATOM 0 HG13 VAL A 9 -3.785 -4.454 -1.874 1.00 13.31 H new ATOM 0 HG21 VAL A 9 -4.948 -4.847 0.938 1.00 71.13 H new ATOM 0 HG22 VAL A 9 -4.167 -3.346 0.388 1.00 71.13 H new ATOM 0 HG23 VAL A 9 -5.817 -3.298 1.052 1.00 71.13 H new ATOM 138 N LYS A 10 -5.807 -2.368 -3.987 1.00 34.25 N ATOM 139 CA LYS A 10 -6.197 -2.386 -5.375 1.00 12.34 C ATOM 140 C LYS A 10 -5.851 -3.747 -5.964 1.00 2.51 C ATOM 141 O LYS A 10 -6.621 -4.321 -6.739 1.00 21.53 O ATOM 142 CB LYS A 10 -5.447 -1.247 -6.042 1.00 13.24 C ATOM 143 CG LYS A 10 -5.708 -0.972 -7.501 1.00 12.53 C ATOM 144 CD LYS A 10 -4.886 0.243 -7.879 1.00 11.22 C ATOM 145 CE LYS A 10 -4.906 0.574 -9.342 1.00 3.42 C ATOM 146 NZ LYS A 10 -6.257 0.891 -9.861 1.00 72.32 N ATOM 0 H LYS A 10 -4.943 -1.853 -3.815 1.00 34.25 H new ATOM 0 HA LYS A 10 -7.268 -2.245 -5.522 1.00 12.34 H new ATOM 0 HB2 LYS A 10 -5.668 -0.335 -5.488 1.00 13.24 H new ATOM 0 HB3 LYS A 10 -4.380 -1.440 -5.926 1.00 13.24 H new ATOM 0 HG2 LYS A 10 -5.429 -1.831 -8.111 1.00 12.53 H new ATOM 0 HG3 LYS A 10 -6.768 -0.789 -7.675 1.00 12.53 H new ATOM 0 HD2 LYS A 10 -5.253 1.103 -7.319 1.00 11.22 H new ATOM 0 HD3 LYS A 10 -3.854 0.079 -7.570 1.00 11.22 H new ATOM 0 HE2 LYS A 10 -4.248 1.424 -9.522 1.00 3.42 H new ATOM 0 HE3 LYS A 10 -4.499 -0.268 -9.902 1.00 3.42 H new ATOM 0 HZ1 LYS A 10 -6.172 1.482 -10.712 1.00 72.32 H new ATOM 0 HZ2 LYS A 10 -6.753 0.009 -10.100 1.00 72.32 H new ATOM 0 HZ3 LYS A 10 -6.796 1.405 -9.135 1.00 72.32 H new ATOM 160 N TRP A 11 -4.690 -4.245 -5.576 1.00 51.13 N ATOM 161 CA TRP A 11 -4.226 -5.592 -5.894 1.00 64.40 C ATOM 162 C TRP A 11 -2.904 -5.819 -5.243 1.00 23.53 C ATOM 163 O TRP A 11 -2.224 -4.858 -4.876 1.00 64.55 O ATOM 164 CB TRP A 11 -4.126 -5.895 -7.413 1.00 12.21 C ATOM 165 CG TRP A 11 -3.179 -5.039 -8.208 1.00 2.51 C ATOM 166 CD1 TRP A 11 -3.454 -3.866 -8.842 1.00 12.12 C ATOM 167 CD2 TRP A 11 -1.808 -5.325 -8.475 1.00 52.51 C ATOM 168 NE1 TRP A 11 -2.329 -3.406 -9.482 1.00 11.35 N ATOM 169 CE2 TRP A 11 -1.305 -4.288 -9.267 1.00 62.30 C ATOM 170 CE3 TRP A 11 -0.965 -6.360 -8.109 1.00 74.13 C ATOM 171 CZ2 TRP A 11 0.019 -4.261 -9.706 1.00 50.53 C ATOM 172 CZ3 TRP A 11 0.345 -6.337 -8.539 1.00 71.40 C ATOM 173 CH2 TRP A 11 0.826 -5.292 -9.331 1.00 75.24 C ATOM 0 H TRP A 11 -4.024 -3.713 -5.016 1.00 51.13 H new ATOM 0 HA TRP A 11 -4.980 -6.277 -5.508 1.00 64.40 H new ATOM 0 HB2 TRP A 11 -3.828 -6.936 -7.534 1.00 12.21 H new ATOM 0 HB3 TRP A 11 -5.121 -5.796 -7.847 1.00 12.21 H new ATOM 0 HD1 TRP A 11 -4.414 -3.371 -8.842 1.00 12.12 H new ATOM 0 HE1 TRP A 11 -2.267 -2.547 -10.028 1.00 11.35 H new ATOM 0 HE3 TRP A 11 -1.327 -7.172 -7.497 1.00 74.13 H new ATOM 0 HZ2 TRP A 11 0.390 -3.453 -10.320 1.00 50.53 H new ATOM 0 HZ3 TRP A 11 1.010 -7.140 -8.259 1.00 71.40 H new ATOM 0 HH2 TRP A 11 1.857 -5.302 -9.652 1.00 75.24 H new ATOM 184 N TYR A 12 -2.533 -7.057 -5.092 1.00 4.14 N ATOM 185 CA TYR A 12 -1.258 -7.391 -4.513 1.00 53.21 C ATOM 186 C TYR A 12 -0.816 -8.755 -4.981 1.00 41.44 C ATOM 187 O TYR A 12 -1.603 -9.702 -5.009 1.00 70.10 O ATOM 188 CB TYR A 12 -1.308 -7.334 -2.977 1.00 53.24 C ATOM 189 CG TYR A 12 0.038 -7.555 -2.308 1.00 23.52 C ATOM 190 CD1 TYR A 12 0.958 -6.526 -2.229 1.00 73.45 C ATOM 191 CD2 TYR A 12 0.383 -8.782 -1.756 1.00 33.40 C ATOM 192 CE1 TYR A 12 2.183 -6.702 -1.623 1.00 53.43 C ATOM 193 CE2 TYR A 12 1.610 -8.970 -1.147 1.00 52.34 C ATOM 194 CZ TYR A 12 2.506 -7.923 -1.086 1.00 73.24 C ATOM 195 OH TYR A 12 3.732 -8.098 -0.478 1.00 23.43 O ATOM 0 H TYR A 12 -3.099 -7.861 -5.364 1.00 4.14 H new ATOM 0 HA TYR A 12 -0.530 -6.651 -4.846 1.00 53.21 H new ATOM 0 HB2 TYR A 12 -1.699 -6.363 -2.672 1.00 53.24 H new ATOM 0 HB3 TYR A 12 -2.009 -8.087 -2.618 1.00 53.24 H new ATOM 0 HD1 TYR A 12 0.711 -5.563 -2.651 1.00 73.45 H new ATOM 0 HD2 TYR A 12 -0.318 -9.602 -1.803 1.00 33.40 H new ATOM 0 HE1 TYR A 12 2.885 -5.883 -1.571 1.00 53.43 H new ATOM 0 HE2 TYR A 12 1.865 -9.930 -0.722 1.00 52.34 H new ATOM 0 HH TYR A 12 3.805 -9.018 -0.149 1.00 23.43 H new ATOM 205 N ASN A 13 0.430 -8.848 -5.363 1.00 22.04 N ATOM 206 CA ASN A 13 1.007 -10.092 -5.799 1.00 22.33 C ATOM 207 C ASN A 13 2.194 -10.427 -4.927 1.00 24.51 C ATOM 208 O ASN A 13 3.272 -9.809 -5.044 1.00 2.24 O ATOM 209 CB ASN A 13 1.416 -10.055 -7.283 1.00 22.21 C ATOM 210 CG ASN A 13 0.243 -9.946 -8.265 1.00 15.30 C ATOM 211 OD1 ASN A 13 0.382 -9.382 -9.354 1.00 72.35 O ATOM 212 ND2 ASN A 13 -0.907 -10.480 -7.909 1.00 51.34 N ATOM 0 H ASN A 13 1.076 -8.059 -5.381 1.00 22.04 H new ATOM 0 HA ASN A 13 0.249 -10.869 -5.702 1.00 22.33 H new ATOM 0 HB2 ASN A 13 2.085 -9.209 -7.441 1.00 22.21 H new ATOM 0 HB3 ASN A 13 1.983 -10.957 -7.513 1.00 22.21 H new ATOM 0 HD21 ASN A 13 -1.708 -10.433 -8.539 1.00 51.34 H new ATOM 0 HD22 ASN A 13 -0.997 -10.941 -7.003 1.00 51.34 H new ATOM 219 N SER A 14 2.005 -11.397 -4.056 1.00 73.33 N ATOM 220 CA SER A 14 3.007 -11.796 -3.092 1.00 30.33 C ATOM 221 C SER A 14 4.291 -12.295 -3.757 1.00 63.42 C ATOM 222 O SER A 14 5.393 -12.072 -3.240 1.00 70.25 O ATOM 223 CB SER A 14 2.419 -12.838 -2.142 1.00 23.53 C ATOM 224 OG SER A 14 1.817 -13.901 -2.862 1.00 32.50 O ATOM 0 H SER A 14 1.141 -11.936 -3.998 1.00 73.33 H new ATOM 0 HA SER A 14 3.293 -10.916 -2.516 1.00 30.33 H new ATOM 0 HB2 SER A 14 3.204 -13.231 -1.496 1.00 23.53 H new ATOM 0 HB3 SER A 14 1.679 -12.368 -1.494 1.00 23.53 H new ATOM 0 HG SER A 14 1.450 -14.556 -2.232 1.00 32.50 H new ATOM 230 N THR A 15 4.147 -12.921 -4.921 1.00 10.30 N ATOM 231 CA THR A 15 5.273 -13.458 -5.671 1.00 34.32 C ATOM 232 C THR A 15 6.245 -12.327 -6.082 1.00 53.51 C ATOM 233 O THR A 15 7.457 -12.544 -6.212 1.00 64.40 O ATOM 234 CB THR A 15 4.764 -14.165 -6.953 1.00 11.12 C ATOM 235 OG1 THR A 15 3.702 -15.072 -6.612 1.00 14.10 O ATOM 236 CG2 THR A 15 5.883 -14.954 -7.627 1.00 53.23 C ATOM 0 H THR A 15 3.243 -13.070 -5.370 1.00 10.30 H new ATOM 0 HA THR A 15 5.796 -14.170 -5.033 1.00 34.32 H new ATOM 0 HB THR A 15 4.407 -13.400 -7.642 1.00 11.12 H new ATOM 0 HG1 THR A 15 3.379 -15.518 -7.423 1.00 14.10 H new ATOM 0 HG21 THR A 15 5.497 -15.439 -8.523 1.00 53.23 H new ATOM 0 HG22 THR A 15 6.692 -14.277 -7.901 1.00 53.23 H new ATOM 0 HG23 THR A 15 6.260 -15.710 -6.939 1.00 53.23 H new ATOM 244 N LYS A 16 5.714 -11.117 -6.258 1.00 42.32 N ATOM 245 CA LYS A 16 6.541 -10.008 -6.700 1.00 4.44 C ATOM 246 C LYS A 16 6.866 -9.053 -5.557 1.00 10.14 C ATOM 247 O LYS A 16 7.704 -8.176 -5.717 1.00 32.31 O ATOM 248 CB LYS A 16 5.824 -9.211 -7.793 1.00 30.41 C ATOM 249 CG LYS A 16 5.460 -9.995 -9.037 1.00 62.00 C ATOM 250 CD LYS A 16 4.836 -9.073 -10.066 1.00 1.03 C ATOM 251 CE LYS A 16 4.449 -9.807 -11.333 1.00 75.41 C ATOM 252 NZ LYS A 16 3.926 -8.881 -12.362 1.00 13.44 N ATOM 0 H LYS A 16 4.732 -10.888 -6.103 1.00 42.32 H new ATOM 0 HA LYS A 16 7.467 -10.438 -7.082 1.00 4.44 H new ATOM 0 HB2 LYS A 16 4.912 -8.788 -7.371 1.00 30.41 H new ATOM 0 HB3 LYS A 16 6.459 -8.374 -8.084 1.00 30.41 H new ATOM 0 HG2 LYS A 16 6.350 -10.468 -9.452 1.00 62.00 H new ATOM 0 HG3 LYS A 16 4.764 -10.794 -8.783 1.00 62.00 H new ATOM 0 HD2 LYS A 16 3.952 -8.599 -9.638 1.00 1.03 H new ATOM 0 HD3 LYS A 16 5.538 -8.276 -10.310 1.00 1.03 H new ATOM 0 HE2 LYS A 16 5.317 -10.336 -11.727 1.00 75.41 H new ATOM 0 HE3 LYS A 16 3.694 -10.559 -11.102 1.00 75.41 H new ATOM 0 HZ1 LYS A 16 3.671 -9.418 -13.215 1.00 13.44 H new ATOM 0 HZ2 LYS A 16 3.083 -8.394 -11.995 1.00 13.44 H new ATOM 0 HZ3 LYS A 16 4.655 -8.179 -12.600 1.00 13.44 H new ATOM 266 N ASN A 17 6.219 -9.246 -4.396 1.00 52.14 N ATOM 267 CA ASN A 17 6.395 -8.337 -3.222 1.00 20.54 C ATOM 268 C ASN A 17 5.888 -6.920 -3.568 1.00 13.54 C ATOM 269 O ASN A 17 6.318 -5.918 -2.959 1.00 3.53 O ATOM 270 CB ASN A 17 7.885 -8.255 -2.744 1.00 75.23 C ATOM 271 CG ASN A 17 8.484 -9.554 -2.181 1.00 24.43 C ATOM 272 OD1 ASN A 17 9.351 -9.514 -1.311 1.00 0.35 O ATOM 273 ND2 ASN A 17 8.048 -10.686 -2.665 1.00 53.02 N ATOM 0 H ASN A 17 5.570 -10.016 -4.233 1.00 52.14 H new ATOM 0 HA ASN A 17 5.809 -8.757 -2.405 1.00 20.54 H new ATOM 0 HB2 ASN A 17 8.498 -7.930 -3.584 1.00 75.23 H new ATOM 0 HB3 ASN A 17 7.958 -7.483 -1.978 1.00 75.23 H new ATOM 0 HD21 ASN A 17 8.428 -11.568 -2.321 1.00 53.02 H new ATOM 0 HD22 ASN A 17 7.327 -10.688 -3.387 1.00 53.02 H new ATOM 280 N PHE A 18 4.953 -6.853 -4.516 1.00 3.13 N ATOM 281 CA PHE A 18 4.371 -5.594 -4.987 1.00 3.55 C ATOM 282 C PHE A 18 2.880 -5.688 -5.174 1.00 22.42 C ATOM 283 O PHE A 18 2.301 -6.782 -5.205 1.00 15.44 O ATOM 284 CB PHE A 18 4.985 -5.115 -6.313 1.00 62.33 C ATOM 285 CG PHE A 18 6.351 -4.525 -6.215 1.00 3.44 C ATOM 286 CD1 PHE A 18 6.505 -3.196 -5.870 1.00 54.44 C ATOM 287 CD2 PHE A 18 7.469 -5.272 -6.485 1.00 62.43 C ATOM 288 CE1 PHE A 18 7.751 -2.631 -5.792 1.00 30.21 C ATOM 289 CE2 PHE A 18 8.722 -4.714 -6.411 1.00 61.53 C ATOM 290 CZ PHE A 18 8.861 -3.390 -6.065 1.00 11.30 C ATOM 0 H PHE A 18 4.575 -7.677 -4.983 1.00 3.13 H new ATOM 0 HA PHE A 18 4.600 -4.873 -4.202 1.00 3.55 H new ATOM 0 HB2 PHE A 18 5.022 -5.959 -7.001 1.00 62.33 H new ATOM 0 HB3 PHE A 18 4.319 -4.373 -6.754 1.00 62.33 H new ATOM 0 HD1 PHE A 18 5.633 -2.595 -5.659 1.00 54.44 H new ATOM 0 HD2 PHE A 18 7.363 -6.311 -6.759 1.00 62.43 H new ATOM 0 HE1 PHE A 18 7.859 -1.592 -5.517 1.00 30.21 H new ATOM 0 HE2 PHE A 18 9.595 -5.313 -6.624 1.00 61.53 H new ATOM 0 HZ PHE A 18 9.845 -2.948 -6.008 1.00 11.30 H new ATOM 300 N GLY A 19 2.280 -4.538 -5.308 1.00 24.52 N ATOM 301 CA GLY A 19 0.885 -4.398 -5.544 1.00 53.31 C ATOM 302 C GLY A 19 0.552 -2.940 -5.571 1.00 21.45 C ATOM 303 O GLY A 19 1.459 -2.111 -5.538 1.00 2.03 O ATOM 0 H GLY A 19 2.773 -3.647 -5.253 1.00 24.52 H new ATOM 0 HA2 GLY A 19 0.612 -4.866 -6.490 1.00 53.31 H new ATOM 0 HA3 GLY A 19 0.316 -4.902 -4.763 1.00 53.31 H new ATOM 307 N PHE A 20 -0.701 -2.614 -5.607 1.00 33.10 N ATOM 308 CA PHE A 20 -1.140 -1.232 -5.589 1.00 54.11 C ATOM 309 C PHE A 20 -2.248 -1.021 -4.608 1.00 52.21 C ATOM 310 O PHE A 20 -2.944 -1.970 -4.214 1.00 32.32 O ATOM 311 CB PHE A 20 -1.553 -0.702 -6.963 1.00 50.12 C ATOM 312 CG PHE A 20 -0.421 -0.279 -7.873 1.00 30.41 C ATOM 313 CD1 PHE A 20 0.303 -1.201 -8.593 1.00 74.12 C ATOM 314 CD2 PHE A 20 -0.097 1.064 -8.002 1.00 33.10 C ATOM 315 CE1 PHE A 20 1.334 -0.806 -9.425 1.00 52.53 C ATOM 316 CE2 PHE A 20 0.927 1.470 -8.831 1.00 54.31 C ATOM 317 CZ PHE A 20 1.646 0.532 -9.545 1.00 42.12 C ATOM 0 H PHE A 20 -1.461 -3.293 -5.650 1.00 33.10 H new ATOM 0 HA PHE A 20 -0.267 -0.659 -5.276 1.00 54.11 H new ATOM 0 HB2 PHE A 20 -2.133 -1.474 -7.470 1.00 50.12 H new ATOM 0 HB3 PHE A 20 -2.216 0.151 -6.818 1.00 50.12 H new ATOM 0 HD1 PHE A 20 0.062 -2.250 -8.507 1.00 74.12 H new ATOM 0 HD2 PHE A 20 -0.655 1.802 -7.445 1.00 33.10 H new ATOM 0 HE1 PHE A 20 1.894 -1.544 -9.980 1.00 52.53 H new ATOM 0 HE2 PHE A 20 1.166 2.519 -8.922 1.00 54.31 H new ATOM 0 HZ PHE A 20 2.450 0.845 -10.195 1.00 42.12 H new ATOM 327 N ILE A 21 -2.427 0.216 -4.233 1.00 61.12 N ATOM 328 CA ILE A 21 -3.413 0.625 -3.268 1.00 72.31 C ATOM 329 C ILE A 21 -3.938 1.991 -3.667 1.00 25.53 C ATOM 330 O ILE A 21 -3.158 2.883 -3.986 1.00 44.24 O ATOM 331 CB ILE A 21 -2.804 0.740 -1.827 1.00 22.50 C ATOM 332 CG1 ILE A 21 -2.174 -0.586 -1.382 1.00 24.33 C ATOM 333 CG2 ILE A 21 -3.871 1.175 -0.831 1.00 30.25 C ATOM 334 CD1 ILE A 21 -1.538 -0.542 -0.006 1.00 15.23 C ATOM 0 H ILE A 21 -1.875 0.991 -4.601 1.00 61.12 H new ATOM 0 HA ILE A 21 -4.204 -0.125 -3.252 1.00 72.31 H new ATOM 0 HB ILE A 21 -2.019 1.495 -1.856 1.00 22.50 H new ATOM 0 HG12 ILE A 21 -2.941 -1.361 -1.391 1.00 24.33 H new ATOM 0 HG13 ILE A 21 -1.418 -0.878 -2.110 1.00 24.33 H new ATOM 0 HG21 ILE A 21 -3.431 1.250 0.164 1.00 30.25 H new ATOM 0 HG22 ILE A 21 -4.269 2.146 -1.126 1.00 30.25 H new ATOM 0 HG23 ILE A 21 -4.677 0.441 -0.817 1.00 30.25 H new ATOM 0 HD11 ILE A 21 -1.117 -1.519 0.231 1.00 15.23 H new ATOM 0 HD12 ILE A 21 -0.746 0.207 0.005 1.00 15.23 H new ATOM 0 HD13 ILE A 21 -2.293 -0.283 0.736 1.00 15.23 H new ATOM 346 N GLU A 22 -5.228 2.128 -3.711 1.00 10.50 N ATOM 347 CA GLU A 22 -5.865 3.404 -3.946 1.00 74.31 C ATOM 348 C GLU A 22 -7.097 3.417 -3.113 1.00 71.14 C ATOM 349 O GLU A 22 -7.662 2.358 -2.861 1.00 35.12 O ATOM 350 CB GLU A 22 -6.254 3.607 -5.418 1.00 64.11 C ATOM 351 CG GLU A 22 -7.265 2.599 -5.930 1.00 41.23 C ATOM 352 CD GLU A 22 -7.776 2.931 -7.299 1.00 22.22 C ATOM 353 OE1 GLU A 22 -7.009 2.855 -8.268 1.00 12.21 O ATOM 354 OE2 GLU A 22 -8.959 3.288 -7.428 1.00 65.43 O ATOM 0 H GLU A 22 -5.881 1.355 -3.585 1.00 10.50 H new ATOM 0 HA GLU A 22 -5.172 4.206 -3.691 1.00 74.31 H new ATOM 0 HB2 GLU A 22 -6.661 4.610 -5.541 1.00 64.11 H new ATOM 0 HB3 GLU A 22 -5.355 3.550 -6.032 1.00 64.11 H new ATOM 0 HG2 GLU A 22 -6.807 1.610 -5.948 1.00 41.23 H new ATOM 0 HG3 GLU A 22 -8.104 2.549 -5.236 1.00 41.23 H new ATOM 361 N GLN A 23 -7.530 4.544 -2.656 1.00 41.31 N ATOM 362 CA GLN A 23 -8.761 4.537 -1.924 1.00 33.03 C ATOM 363 C GLN A 23 -9.885 4.377 -2.865 1.00 12.43 C ATOM 364 O GLN A 23 -9.839 4.858 -4.007 1.00 62.42 O ATOM 365 CB GLN A 23 -8.966 5.748 -1.014 1.00 23.02 C ATOM 366 CG GLN A 23 -9.091 7.055 -1.720 1.00 1.23 C ATOM 367 CD GLN A 23 -9.183 8.201 -0.763 1.00 72.31 C ATOM 368 OE1 GLN A 23 -10.270 8.607 -0.361 1.00 44.12 O ATOM 369 NE2 GLN A 23 -8.057 8.695 -0.352 1.00 0.03 N ATOM 0 H GLN A 23 -7.075 5.450 -2.767 1.00 41.31 H new ATOM 0 HA GLN A 23 -8.716 3.688 -1.241 1.00 33.03 H new ATOM 0 HB2 GLN A 23 -9.864 5.587 -0.418 1.00 23.02 H new ATOM 0 HB3 GLN A 23 -8.128 5.807 -0.319 1.00 23.02 H new ATOM 0 HG2 GLN A 23 -8.231 7.197 -2.375 1.00 1.23 H new ATOM 0 HG3 GLN A 23 -9.977 7.041 -2.355 1.00 1.23 H new ATOM 0 HE21 GLN A 23 -7.177 8.327 -0.713 1.00 0.03 H new ATOM 0 HE22 GLN A 23 -8.051 9.451 0.332 1.00 0.03 H new ATOM 378 N ASP A 24 -10.885 3.712 -2.390 1.00 64.43 N ATOM 379 CA ASP A 24 -12.100 3.409 -3.164 1.00 72.30 C ATOM 380 C ASP A 24 -12.757 4.688 -3.673 1.00 11.41 C ATOM 381 O ASP A 24 -13.495 4.688 -4.650 1.00 53.41 O ATOM 382 CB ASP A 24 -13.077 2.649 -2.293 1.00 23.13 C ATOM 383 CG ASP A 24 -14.254 2.110 -3.068 1.00 65.42 C ATOM 384 OD1 ASP A 24 -14.133 0.998 -3.635 1.00 50.52 O ATOM 385 OD2 ASP A 24 -15.303 2.771 -3.126 1.00 42.23 O ATOM 0 H ASP A 24 -10.907 3.346 -1.438 1.00 64.43 H new ATOM 0 HA ASP A 24 -11.819 2.801 -4.024 1.00 72.30 H new ATOM 0 HB2 ASP A 24 -12.558 1.822 -1.808 1.00 23.13 H new ATOM 0 HB3 ASP A 24 -13.439 3.306 -1.502 1.00 23.13 H new ATOM 390 N ASN A 25 -12.435 5.774 -3.022 1.00 75.10 N ATOM 391 CA ASN A 25 -12.966 7.085 -3.360 1.00 70.22 C ATOM 392 C ASN A 25 -12.243 7.678 -4.576 1.00 54.14 C ATOM 393 O ASN A 25 -12.484 8.819 -4.949 1.00 1.35 O ATOM 394 CB ASN A 25 -12.827 8.034 -2.164 1.00 22.35 C ATOM 395 CG ASN A 25 -13.585 7.574 -0.931 1.00 32.23 C ATOM 396 OD1 ASN A 25 -14.633 6.922 -1.022 1.00 45.22 O ATOM 397 ND2 ASN A 25 -13.061 7.889 0.229 1.00 44.35 N ATOM 0 H ASN A 25 -11.790 5.782 -2.232 1.00 75.10 H new ATOM 0 HA ASN A 25 -14.020 6.967 -3.610 1.00 70.22 H new ATOM 0 HB2 ASN A 25 -11.771 8.137 -1.914 1.00 22.35 H new ATOM 0 HB3 ASN A 25 -13.184 9.023 -2.452 1.00 22.35 H new ATOM 0 HD21 ASN A 25 -13.519 7.595 1.092 1.00 44.35 H new ATOM 0 HD22 ASN A 25 -12.196 8.428 0.268 1.00 44.35 H new ATOM 404 N GLY A 26 -11.360 6.902 -5.182 1.00 41.21 N ATOM 405 CA GLY A 26 -10.639 7.363 -6.343 1.00 50.55 C ATOM 406 C GLY A 26 -9.341 8.007 -5.964 1.00 34.21 C ATOM 407 O GLY A 26 -9.039 9.127 -6.394 1.00 15.44 O ATOM 0 H GLY A 26 -11.130 5.953 -4.886 1.00 41.21 H new ATOM 0 HA2 GLY A 26 -10.448 6.523 -7.011 1.00 50.55 H new ATOM 0 HA3 GLY A 26 -11.253 8.076 -6.894 1.00 50.55 H new ATOM 411 N GLY A 27 -8.575 7.317 -5.154 1.00 73.21 N ATOM 412 CA GLY A 27 -7.323 7.858 -4.696 1.00 60.03 C ATOM 413 C GLY A 27 -6.228 7.710 -5.711 1.00 32.11 C ATOM 414 O GLY A 27 -6.403 7.046 -6.749 1.00 12.32 O ATOM 0 H GLY A 27 -8.796 6.386 -4.801 1.00 73.21 H new ATOM 0 HA2 GLY A 27 -7.453 8.914 -4.457 1.00 60.03 H new ATOM 0 HA3 GLY A 27 -7.030 7.356 -3.774 1.00 60.03 H new ATOM 418 N LYS A 28 -5.112 8.317 -5.415 1.00 72.35 N ATOM 419 CA LYS A 28 -3.957 8.291 -6.282 1.00 61.21 C ATOM 420 C LYS A 28 -3.318 6.920 -6.270 1.00 3.11 C ATOM 421 O LYS A 28 -3.410 6.187 -5.281 1.00 72.03 O ATOM 422 CB LYS A 28 -2.963 9.324 -5.813 1.00 52.52 C ATOM 423 CG LYS A 28 -3.536 10.719 -5.795 1.00 72.13 C ATOM 424 CD LYS A 28 -2.573 11.686 -5.186 1.00 60.34 C ATOM 425 CE LYS A 28 -3.178 13.073 -5.101 1.00 31.31 C ATOM 426 NZ LYS A 28 -2.294 14.013 -4.391 1.00 33.43 N ATOM 0 H LYS A 28 -4.973 8.850 -4.557 1.00 72.35 H new ATOM 0 HA LYS A 28 -4.270 8.517 -7.302 1.00 61.21 H new ATOM 0 HB2 LYS A 28 -2.620 9.064 -4.812 1.00 52.52 H new ATOM 0 HB3 LYS A 28 -2.089 9.303 -6.464 1.00 52.52 H new ATOM 0 HG2 LYS A 28 -3.776 11.031 -6.812 1.00 72.13 H new ATOM 0 HG3 LYS A 28 -4.469 10.726 -5.231 1.00 72.13 H new ATOM 0 HD2 LYS A 28 -2.292 11.346 -4.189 1.00 60.34 H new ATOM 0 HD3 LYS A 28 -1.660 11.719 -5.781 1.00 60.34 H new ATOM 0 HE2 LYS A 28 -3.373 13.447 -6.106 1.00 31.31 H new ATOM 0 HE3 LYS A 28 -4.139 13.020 -4.589 1.00 31.31 H new ATOM 0 HZ1 LYS A 28 -2.743 14.951 -4.354 1.00 33.43 H new ATOM 0 HZ2 LYS A 28 -2.128 13.670 -3.423 1.00 33.43 H new ATOM 0 HZ3 LYS A 28 -1.386 14.083 -4.894 1.00 33.43 H new ATOM 440 N ASP A 29 -2.675 6.576 -7.352 1.00 42.11 N ATOM 441 CA ASP A 29 -2.032 5.291 -7.465 1.00 54.05 C ATOM 442 C ASP A 29 -0.694 5.288 -6.765 1.00 15.43 C ATOM 443 O ASP A 29 0.220 6.054 -7.092 1.00 33.25 O ATOM 444 CB ASP A 29 -1.907 4.802 -8.936 1.00 60.51 C ATOM 445 CG ASP A 29 -1.120 5.733 -9.841 1.00 74.03 C ATOM 446 OD1 ASP A 29 -1.713 6.722 -10.335 1.00 61.33 O ATOM 447 OD2 ASP A 29 0.085 5.485 -10.090 1.00 42.41 O ATOM 0 H ASP A 29 -2.581 7.171 -8.175 1.00 42.11 H new ATOM 0 HA ASP A 29 -2.681 4.574 -6.962 1.00 54.05 H new ATOM 0 HB2 ASP A 29 -1.431 3.822 -8.941 1.00 60.51 H new ATOM 0 HB3 ASP A 29 -2.907 4.673 -9.349 1.00 60.51 H new ATOM 452 N VAL A 30 -0.609 4.478 -5.773 1.00 53.23 N ATOM 453 CA VAL A 30 0.593 4.272 -5.031 1.00 70.30 C ATOM 454 C VAL A 30 0.810 2.783 -4.858 1.00 72.43 C ATOM 455 O VAL A 30 -0.136 2.040 -4.555 1.00 30.30 O ATOM 456 CB VAL A 30 0.583 5.051 -3.660 1.00 74.50 C ATOM 457 CG1 VAL A 30 -0.691 4.827 -2.881 1.00 4.20 C ATOM 458 CG2 VAL A 30 1.739 4.639 -2.802 1.00 21.34 C ATOM 0 H VAL A 30 -1.395 3.920 -5.440 1.00 53.23 H new ATOM 0 HA VAL A 30 1.436 4.684 -5.586 1.00 70.30 H new ATOM 0 HB VAL A 30 0.658 6.109 -3.913 1.00 74.50 H new ATOM 0 HG11 VAL A 30 -0.648 5.385 -1.945 1.00 4.20 H new ATOM 0 HG12 VAL A 30 -1.542 5.170 -3.469 1.00 4.20 H new ATOM 0 HG13 VAL A 30 -0.804 3.765 -2.665 1.00 4.20 H new ATOM 0 HG21 VAL A 30 1.709 5.191 -1.862 1.00 21.34 H new ATOM 0 HG22 VAL A 30 1.678 3.570 -2.597 1.00 21.34 H new ATOM 0 HG23 VAL A 30 2.673 4.856 -3.321 1.00 21.34 H new ATOM 468 N PHE A 31 2.019 2.332 -5.105 1.00 54.13 N ATOM 469 CA PHE A 31 2.293 0.929 -5.037 1.00 51.25 C ATOM 470 C PHE A 31 2.696 0.519 -3.654 1.00 32.10 C ATOM 471 O PHE A 31 3.219 1.313 -2.888 1.00 35.44 O ATOM 472 CB PHE A 31 3.330 0.476 -6.089 1.00 5.41 C ATOM 473 CG PHE A 31 4.703 1.087 -5.995 1.00 23.44 C ATOM 474 CD1 PHE A 31 4.978 2.288 -6.610 1.00 33.24 C ATOM 475 CD2 PHE A 31 5.720 0.441 -5.309 1.00 64.22 C ATOM 476 CE1 PHE A 31 6.236 2.842 -6.543 1.00 64.10 C ATOM 477 CE2 PHE A 31 6.986 0.989 -5.243 1.00 42.20 C ATOM 478 CZ PHE A 31 7.243 2.193 -5.858 1.00 41.33 C ATOM 0 H PHE A 31 2.817 2.917 -5.352 1.00 54.13 H new ATOM 0 HA PHE A 31 1.363 0.415 -5.279 1.00 51.25 H new ATOM 0 HB2 PHE A 31 3.434 -0.607 -6.019 1.00 5.41 H new ATOM 0 HB3 PHE A 31 2.928 0.694 -7.078 1.00 5.41 H new ATOM 0 HD1 PHE A 31 4.197 2.801 -7.151 1.00 33.24 H new ATOM 0 HD2 PHE A 31 5.520 -0.501 -4.821 1.00 64.22 H new ATOM 0 HE1 PHE A 31 6.436 3.786 -7.027 1.00 64.10 H new ATOM 0 HE2 PHE A 31 7.772 0.474 -4.710 1.00 42.20 H new ATOM 0 HZ PHE A 31 8.230 2.629 -5.805 1.00 41.33 H new ATOM 488 N VAL A 32 2.436 -0.695 -3.331 1.00 2.15 N ATOM 489 CA VAL A 32 2.795 -1.221 -2.062 1.00 13.14 C ATOM 490 C VAL A 32 3.932 -2.217 -2.231 1.00 31.40 C ATOM 491 O VAL A 32 3.883 -3.115 -3.077 1.00 74.43 O ATOM 492 CB VAL A 32 1.575 -1.862 -1.322 1.00 0.31 C ATOM 493 CG1 VAL A 32 0.937 -2.978 -2.126 1.00 12.31 C ATOM 494 CG2 VAL A 32 1.970 -2.359 0.061 1.00 22.43 C ATOM 0 H VAL A 32 1.964 -1.359 -3.944 1.00 2.15 H new ATOM 0 HA VAL A 32 3.133 -0.398 -1.432 1.00 13.14 H new ATOM 0 HB VAL A 32 0.829 -1.075 -1.208 1.00 0.31 H new ATOM 0 HG11 VAL A 32 0.095 -3.391 -1.571 1.00 12.31 H new ATOM 0 HG12 VAL A 32 0.585 -2.584 -3.079 1.00 12.31 H new ATOM 0 HG13 VAL A 32 1.672 -3.762 -2.307 1.00 12.31 H new ATOM 0 HG21 VAL A 32 1.102 -2.799 0.551 1.00 22.43 H new ATOM 0 HG22 VAL A 32 2.754 -3.111 -0.033 1.00 22.43 H new ATOM 0 HG23 VAL A 32 2.338 -1.523 0.657 1.00 22.43 H new ATOM 504 N HIS A 33 4.966 -2.025 -1.477 1.00 34.44 N ATOM 505 CA HIS A 33 6.094 -2.911 -1.507 1.00 64.11 C ATOM 506 C HIS A 33 6.122 -3.696 -0.206 1.00 45.55 C ATOM 507 O HIS A 33 5.578 -3.242 0.791 1.00 5.41 O ATOM 508 CB HIS A 33 7.391 -2.115 -1.742 1.00 32.13 C ATOM 509 CG HIS A 33 8.593 -2.983 -1.815 1.00 1.44 C ATOM 510 ND1 HIS A 33 8.649 -4.105 -2.598 1.00 74.32 N ATOM 511 CD2 HIS A 33 9.741 -2.949 -1.132 1.00 10.11 C ATOM 512 CE1 HIS A 33 9.775 -4.719 -2.380 1.00 74.05 C ATOM 513 NE2 HIS A 33 10.460 -4.038 -1.500 1.00 10.11 N ATOM 0 H HIS A 33 5.056 -1.249 -0.821 1.00 34.44 H new ATOM 0 HA HIS A 33 6.009 -3.616 -2.334 1.00 64.11 H new ATOM 0 HB2 HIS A 33 7.301 -1.548 -2.669 1.00 32.13 H new ATOM 0 HB3 HIS A 33 7.519 -1.392 -0.937 1.00 32.13 H new ATOM 0 HD1 HIS A 33 7.924 -4.410 -3.248 1.00 74.32 H new ATOM 0 HD2 HIS A 33 10.040 -2.195 -0.420 1.00 10.11 H new ATOM 0 HE1 HIS A 33 10.091 -5.639 -2.849 1.00 74.05 H new ATOM 522 N LYS A 34 6.759 -4.861 -0.208 1.00 33.53 N ATOM 523 CA LYS A 34 6.754 -5.731 0.964 1.00 35.32 C ATOM 524 C LYS A 34 7.407 -5.098 2.186 1.00 52.15 C ATOM 525 O LYS A 34 7.110 -5.479 3.300 1.00 31.41 O ATOM 526 CB LYS A 34 7.311 -7.119 0.664 1.00 74.30 C ATOM 527 CG LYS A 34 7.261 -8.056 1.859 1.00 12.04 C ATOM 528 CD LYS A 34 7.625 -9.443 1.480 1.00 23.21 C ATOM 529 CE LYS A 34 7.668 -10.369 2.683 1.00 11.11 C ATOM 530 NZ LYS A 34 6.351 -10.490 3.340 1.00 2.41 N ATOM 0 H LYS A 34 7.284 -5.225 -1.004 1.00 33.53 H new ATOM 0 HA LYS A 34 5.704 -5.865 1.224 1.00 35.32 H new ATOM 0 HB2 LYS A 34 6.747 -7.559 -0.158 1.00 74.30 H new ATOM 0 HB3 LYS A 34 8.344 -7.024 0.328 1.00 74.30 H new ATOM 0 HG2 LYS A 34 7.942 -7.698 2.631 1.00 12.04 H new ATOM 0 HG3 LYS A 34 6.259 -8.046 2.288 1.00 12.04 H new ATOM 0 HD2 LYS A 34 6.904 -9.822 0.756 1.00 23.21 H new ATOM 0 HD3 LYS A 34 8.598 -9.441 0.989 1.00 23.21 H new ATOM 0 HE2 LYS A 34 8.007 -11.356 2.368 1.00 11.11 H new ATOM 0 HE3 LYS A 34 8.398 -9.995 3.401 1.00 11.11 H new ATOM 0 HZ1 LYS A 34 6.384 -11.254 4.045 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 6.115 -9.594 3.812 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 5.626 -10.708 2.627 1.00 2.41 H new ATOM 544 N SER A 35 8.267 -4.119 1.978 1.00 34.21 N ATOM 545 CA SER A 35 8.839 -3.360 3.099 1.00 73.03 C ATOM 546 C SER A 35 7.712 -2.746 3.974 1.00 10.32 C ATOM 547 O SER A 35 7.875 -2.560 5.167 1.00 4.11 O ATOM 548 CB SER A 35 9.753 -2.272 2.562 1.00 34.45 C ATOM 549 OG SER A 35 10.714 -2.842 1.691 1.00 51.50 O ATOM 0 H SER A 35 8.589 -3.825 1.056 1.00 34.21 H new ATOM 0 HA SER A 35 9.421 -4.035 3.726 1.00 73.03 H new ATOM 0 HB2 SER A 35 9.168 -1.521 2.032 1.00 34.45 H new ATOM 0 HB3 SER A 35 10.252 -1.763 3.387 1.00 34.45 H new ATOM 0 HG SER A 35 11.301 -2.137 1.345 1.00 51.50 H new ATOM 555 N ALA A 36 6.558 -2.485 3.359 1.00 64.02 N ATOM 556 CA ALA A 36 5.409 -1.971 4.073 1.00 33.01 C ATOM 557 C ALA A 36 4.748 -3.075 4.857 1.00 63.52 C ATOM 558 O ALA A 36 4.201 -2.844 5.944 1.00 34.44 O ATOM 559 CB ALA A 36 4.431 -1.387 3.128 1.00 10.42 C ATOM 0 H ALA A 36 6.403 -2.625 2.361 1.00 64.02 H new ATOM 0 HA ALA A 36 5.751 -1.195 4.758 1.00 33.01 H new ATOM 0 HB1 ALA A 36 3.573 -1.005 3.682 1.00 10.42 H new ATOM 0 HB2 ALA A 36 4.900 -0.571 2.577 1.00 10.42 H new ATOM 0 HB3 ALA A 36 4.099 -2.154 2.428 1.00 10.42 H new ATOM 565 N VAL A 37 4.783 -4.282 4.296 1.00 52.54 N ATOM 566 CA VAL A 37 4.271 -5.434 4.989 1.00 2.44 C ATOM 567 C VAL A 37 5.157 -5.698 6.155 1.00 33.11 C ATOM 568 O VAL A 37 4.690 -5.827 7.230 1.00 71.13 O ATOM 569 CB VAL A 37 4.166 -6.723 4.110 1.00 40.14 C ATOM 570 CG1 VAL A 37 3.667 -7.902 4.969 1.00 60.25 C ATOM 571 CG2 VAL A 37 3.200 -6.478 2.956 1.00 14.14 C ATOM 0 H VAL A 37 5.161 -4.474 3.368 1.00 52.54 H new ATOM 0 HA VAL A 37 3.249 -5.202 5.290 1.00 2.44 H new ATOM 0 HB VAL A 37 5.150 -6.967 3.709 1.00 40.14 H new ATOM 0 HG11 VAL A 37 3.596 -8.797 4.352 1.00 60.25 H new ATOM 0 HG12 VAL A 37 4.367 -8.079 5.786 1.00 60.25 H new ATOM 0 HG13 VAL A 37 2.685 -7.664 5.378 1.00 60.25 H new ATOM 0 HG21 VAL A 37 3.128 -7.377 2.344 1.00 14.14 H new ATOM 0 HG22 VAL A 37 2.216 -6.229 3.352 1.00 14.14 H new ATOM 0 HG23 VAL A 37 3.565 -5.652 2.345 1.00 14.14 H new ATOM 581 N ASP A 38 6.450 -5.702 5.923 1.00 51.55 N ATOM 582 CA ASP A 38 7.429 -5.921 6.982 1.00 22.34 C ATOM 583 C ASP A 38 7.414 -4.828 8.024 1.00 2.34 C ATOM 584 O ASP A 38 7.849 -5.050 9.159 1.00 2.05 O ATOM 585 CB ASP A 38 8.851 -6.138 6.448 1.00 62.53 C ATOM 586 CG ASP A 38 9.053 -7.494 5.813 1.00 44.51 C ATOM 587 OD1 ASP A 38 9.163 -8.496 6.562 1.00 33.04 O ATOM 588 OD2 ASP A 38 9.112 -7.584 4.579 1.00 62.43 O ATOM 0 H ASP A 38 6.859 -5.555 5.000 1.00 51.55 H new ATOM 0 HA ASP A 38 7.119 -6.846 7.467 1.00 22.34 H new ATOM 0 HB2 ASP A 38 9.078 -5.364 5.715 1.00 62.53 H new ATOM 0 HB3 ASP A 38 9.561 -6.019 7.267 1.00 62.53 H new ATOM 593 N ALA A 39 6.921 -3.651 7.651 1.00 44.30 N ATOM 594 CA ALA A 39 6.826 -2.538 8.584 1.00 71.04 C ATOM 595 C ALA A 39 5.848 -2.836 9.731 1.00 5.23 C ATOM 596 O ALA A 39 5.997 -2.306 10.831 1.00 41.31 O ATOM 597 CB ALA A 39 6.415 -1.265 7.858 1.00 22.34 C ATOM 0 H ALA A 39 6.582 -3.445 6.711 1.00 44.30 H new ATOM 0 HA ALA A 39 7.814 -2.394 9.021 1.00 71.04 H new ATOM 0 HB1 ALA A 39 6.349 -0.444 8.572 1.00 22.34 H new ATOM 0 HB2 ALA A 39 7.157 -1.025 7.096 1.00 22.34 H new ATOM 0 HB3 ALA A 39 5.444 -1.413 7.385 1.00 22.34 H new ATOM 603 N ALA A 40 4.854 -3.676 9.472 1.00 24.30 N ATOM 604 CA ALA A 40 3.840 -4.000 10.495 1.00 41.22 C ATOM 605 C ALA A 40 3.615 -5.514 10.639 1.00 35.35 C ATOM 606 O ALA A 40 3.136 -5.995 11.668 1.00 41.31 O ATOM 607 CB ALA A 40 2.529 -3.316 10.148 1.00 73.11 C ATOM 0 H ALA A 40 4.719 -4.146 8.577 1.00 24.30 H new ATOM 0 HA ALA A 40 4.213 -3.636 11.452 1.00 41.22 H new ATOM 0 HB1 ALA A 40 1.782 -3.556 10.904 1.00 73.11 H new ATOM 0 HB2 ALA A 40 2.679 -2.237 10.116 1.00 73.11 H new ATOM 0 HB3 ALA A 40 2.184 -3.663 9.174 1.00 73.11 H new ATOM 613 N GLY A 41 3.966 -6.233 9.611 1.00 42.34 N ATOM 614 CA GLY A 41 3.758 -7.663 9.522 1.00 43.04 C ATOM 615 C GLY A 41 2.337 -7.964 9.165 1.00 5.32 C ATOM 616 O GLY A 41 1.664 -8.745 9.840 1.00 15.34 O ATOM 0 H GLY A 41 4.417 -5.837 8.786 1.00 42.34 H new ATOM 0 HA2 GLY A 41 4.425 -8.088 8.772 1.00 43.04 H new ATOM 0 HA3 GLY A 41 4.008 -8.133 10.473 1.00 43.04 H new ATOM 620 N LEU A 42 1.884 -7.327 8.098 1.00 11.22 N ATOM 621 CA LEU A 42 0.531 -7.457 7.627 1.00 65.53 C ATOM 622 C LEU A 42 0.342 -8.908 7.151 1.00 62.53 C ATOM 623 O LEU A 42 1.151 -9.424 6.363 1.00 25.32 O ATOM 624 CB LEU A 42 0.322 -6.454 6.478 1.00 14.05 C ATOM 625 CG LEU A 42 -1.084 -5.858 6.302 1.00 63.24 C ATOM 626 CD1 LEU A 42 -2.143 -6.914 6.076 1.00 22.24 C ATOM 627 CD2 LEU A 42 -1.442 -4.967 7.482 1.00 62.11 C ATOM 0 H LEU A 42 2.458 -6.700 7.534 1.00 11.22 H new ATOM 0 HA LEU A 42 -0.199 -7.242 8.407 1.00 65.53 H new ATOM 0 HB2 LEU A 42 1.021 -5.630 6.620 1.00 14.05 H new ATOM 0 HB3 LEU A 42 0.597 -6.948 5.546 1.00 14.05 H new ATOM 0 HG LEU A 42 -1.059 -5.248 5.399 1.00 63.24 H new ATOM 0 HD11 LEU A 42 -3.115 -6.435 5.958 1.00 22.24 H new ATOM 0 HD12 LEU A 42 -1.906 -7.480 5.175 1.00 22.24 H new ATOM 0 HD13 LEU A 42 -2.172 -7.589 6.931 1.00 22.24 H new ATOM 0 HD21 LEU A 42 -2.441 -4.555 7.337 1.00 62.11 H new ATOM 0 HD22 LEU A 42 -1.421 -5.554 8.400 1.00 62.11 H new ATOM 0 HD23 LEU A 42 -0.721 -4.153 7.555 1.00 62.11 H new ATOM 639 N HIS A 43 -0.707 -9.546 7.629 1.00 25.34 N ATOM 640 CA HIS A 43 -0.935 -10.968 7.403 1.00 40.32 C ATOM 641 C HIS A 43 -1.114 -11.311 5.913 1.00 31.31 C ATOM 642 O HIS A 43 -0.626 -12.345 5.461 1.00 65.55 O ATOM 643 CB HIS A 43 -2.143 -11.449 8.235 1.00 64.42 C ATOM 644 CG HIS A 43 -2.356 -12.947 8.262 1.00 31.40 C ATOM 645 ND1 HIS A 43 -2.153 -13.705 9.385 1.00 14.31 N ATOM 646 CD2 HIS A 43 -2.800 -13.806 7.320 1.00 2.21 C ATOM 647 CE1 HIS A 43 -2.460 -14.953 9.136 1.00 53.10 C ATOM 648 NE2 HIS A 43 -2.857 -15.043 7.890 1.00 31.14 N ATOM 0 H HIS A 43 -1.431 -9.095 8.188 1.00 25.34 H new ATOM 0 HA HIS A 43 -0.042 -11.499 7.733 1.00 40.32 H new ATOM 0 HB2 HIS A 43 -2.020 -11.098 9.260 1.00 64.42 H new ATOM 0 HB3 HIS A 43 -3.044 -10.978 7.842 1.00 64.42 H new ATOM 0 HD2 HIS A 43 -3.062 -13.559 6.302 1.00 2.21 H new ATOM 0 HE1 HIS A 43 -2.397 -15.771 9.839 1.00 53.10 H new ATOM 0 HE2 HIS A 43 -3.159 -15.898 7.423 1.00 31.14 H new ATOM 657 N SER A 44 -1.803 -10.464 5.165 1.00 1.53 N ATOM 658 CA SER A 44 -2.033 -10.718 3.751 1.00 60.41 C ATOM 659 C SER A 44 -2.648 -9.503 3.099 1.00 14.22 C ATOM 660 O SER A 44 -3.256 -8.683 3.773 1.00 73.31 O ATOM 661 CB SER A 44 -2.962 -11.937 3.560 1.00 0.42 C ATOM 662 OG SER A 44 -3.142 -12.260 2.182 1.00 2.30 O ATOM 0 H SER A 44 -2.212 -9.596 5.512 1.00 1.53 H new ATOM 0 HA SER A 44 -1.073 -10.932 3.281 1.00 60.41 H new ATOM 0 HB2 SER A 44 -2.544 -12.797 4.083 1.00 0.42 H new ATOM 0 HB3 SER A 44 -3.931 -11.729 4.013 1.00 0.42 H new ATOM 0 HG SER A 44 -4.065 -12.065 1.918 1.00 2.30 H new ATOM 668 N LEU A 45 -2.480 -9.390 1.810 1.00 64.42 N ATOM 669 CA LEU A 45 -3.076 -8.329 1.047 1.00 41.21 C ATOM 670 C LEU A 45 -3.660 -8.895 -0.213 1.00 42.32 C ATOM 671 O LEU A 45 -3.017 -9.675 -0.925 1.00 25.33 O ATOM 672 CB LEU A 45 -2.072 -7.265 0.651 1.00 34.21 C ATOM 673 CG LEU A 45 -1.323 -6.537 1.769 1.00 15.31 C ATOM 674 CD1 LEU A 45 -0.262 -5.635 1.172 1.00 72.44 C ATOM 675 CD2 LEU A 45 -2.292 -5.707 2.600 1.00 71.45 C ATOM 0 H LEU A 45 -1.921 -10.038 1.255 1.00 64.42 H new ATOM 0 HA LEU A 45 -3.837 -7.871 1.678 1.00 41.21 H new ATOM 0 HB2 LEU A 45 -1.332 -7.729 -0.000 1.00 34.21 H new ATOM 0 HB3 LEU A 45 -2.595 -6.516 0.056 1.00 34.21 H new ATOM 0 HG LEU A 45 -0.849 -7.277 2.414 1.00 15.31 H new ATOM 0 HD11 LEU A 45 0.269 -5.119 1.972 1.00 72.44 H new ATOM 0 HD12 LEU A 45 0.443 -6.234 0.596 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -0.734 -4.902 0.518 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -1.746 -5.194 3.392 1.00 71.45 H new ATOM 0 HD22 LEU A 45 -2.781 -4.971 1.962 1.00 71.45 H new ATOM 0 HD23 LEU A 45 -3.044 -6.360 3.042 1.00 71.45 H new ATOM 687 N GLU A 46 -4.841 -8.510 -0.458 1.00 13.33 N ATOM 688 CA GLU A 46 -5.596 -8.842 -1.619 1.00 61.01 C ATOM 689 C GLU A 46 -6.690 -7.813 -1.743 1.00 73.42 C ATOM 690 O GLU A 46 -7.004 -7.127 -0.750 1.00 54.43 O ATOM 691 CB GLU A 46 -6.139 -10.302 -1.623 1.00 73.04 C ATOM 692 CG GLU A 46 -7.025 -10.730 -0.445 1.00 73.12 C ATOM 693 CD GLU A 46 -6.298 -10.815 0.886 1.00 61.15 C ATOM 694 OE1 GLU A 46 -5.597 -11.830 1.138 1.00 23.41 O ATOM 695 OE2 GLU A 46 -6.442 -9.892 1.709 1.00 64.14 O ATOM 0 H GLU A 46 -5.357 -7.910 0.185 1.00 13.33 H new ATOM 0 HA GLU A 46 -4.945 -8.816 -2.493 1.00 61.01 H new ATOM 0 HB2 GLU A 46 -6.707 -10.447 -2.542 1.00 73.04 H new ATOM 0 HB3 GLU A 46 -5.285 -10.979 -1.666 1.00 73.04 H new ATOM 0 HG2 GLU A 46 -7.850 -10.024 -0.351 1.00 73.12 H new ATOM 0 HG3 GLU A 46 -7.463 -11.703 -0.669 1.00 73.12 H new ATOM 702 N GLU A 47 -7.263 -7.677 -2.911 1.00 70.11 N ATOM 703 CA GLU A 47 -8.205 -6.608 -3.161 1.00 23.33 C ATOM 704 C GLU A 47 -9.483 -6.728 -2.347 1.00 15.45 C ATOM 705 O GLU A 47 -9.869 -7.822 -1.897 1.00 51.41 O ATOM 706 CB GLU A 47 -8.515 -6.391 -4.659 1.00 55.53 C ATOM 707 CG GLU A 47 -9.094 -7.586 -5.405 1.00 33.53 C ATOM 708 CD GLU A 47 -8.092 -8.679 -5.676 1.00 61.10 C ATOM 709 OE1 GLU A 47 -7.892 -9.545 -4.815 1.00 22.22 O ATOM 710 OE2 GLU A 47 -7.493 -8.682 -6.765 1.00 61.03 O ATOM 0 H GLU A 47 -7.096 -8.292 -3.707 1.00 70.11 H new ATOM 0 HA GLU A 47 -7.689 -5.712 -2.816 1.00 23.33 H new ATOM 0 HB2 GLU A 47 -9.215 -5.560 -4.747 1.00 55.53 H new ATOM 0 HB3 GLU A 47 -7.595 -6.088 -5.159 1.00 55.53 H new ATOM 0 HG2 GLU A 47 -9.920 -7.999 -4.825 1.00 33.53 H new ATOM 0 HG3 GLU A 47 -9.510 -7.244 -6.353 1.00 33.53 H new ATOM 717 N GLY A 48 -10.112 -5.594 -2.138 1.00 24.15 N ATOM 718 CA GLY A 48 -11.351 -5.539 -1.387 1.00 35.34 C ATOM 719 C GLY A 48 -11.134 -5.064 0.028 1.00 0.10 C ATOM 720 O GLY A 48 -12.063 -4.597 0.693 1.00 73.10 O ATOM 0 H GLY A 48 -9.785 -4.690 -2.479 1.00 24.15 H new ATOM 0 HA2 GLY A 48 -12.050 -4.871 -1.890 1.00 35.34 H new ATOM 0 HA3 GLY A 48 -11.809 -6.528 -1.371 1.00 35.34 H new ATOM 724 N GLN A 49 -9.916 -5.167 0.486 1.00 31.31 N ATOM 725 CA GLN A 49 -9.556 -4.777 1.824 1.00 4.24 C ATOM 726 C GLN A 49 -9.156 -3.341 1.884 1.00 1.42 C ATOM 727 O GLN A 49 -8.372 -2.876 1.068 1.00 74.13 O ATOM 728 CB GLN A 49 -8.418 -5.652 2.301 1.00 1.33 C ATOM 729 CG GLN A 49 -8.840 -7.072 2.543 1.00 60.24 C ATOM 730 CD GLN A 49 -9.494 -7.333 3.901 1.00 44.52 C ATOM 731 OE1 GLN A 49 -9.409 -8.441 4.411 1.00 43.31 O ATOM 732 NE2 GLN A 49 -10.101 -6.343 4.509 1.00 53.04 N ATOM 0 H GLN A 49 -9.137 -5.528 -0.064 1.00 31.31 H new ATOM 0 HA GLN A 49 -10.424 -4.905 2.471 1.00 4.24 H new ATOM 0 HB2 GLN A 49 -7.618 -5.636 1.561 1.00 1.33 H new ATOM 0 HB3 GLN A 49 -8.008 -5.237 3.222 1.00 1.33 H new ATOM 0 HG2 GLN A 49 -9.538 -7.366 1.759 1.00 60.24 H new ATOM 0 HG3 GLN A 49 -7.965 -7.716 2.449 1.00 60.24 H new ATOM 0 HE21 GLN A 49 -10.158 -5.428 4.062 1.00 53.04 H new ATOM 0 HE22 GLN A 49 -10.516 -6.488 5.429 1.00 53.04 H new ATOM 741 N ASP A 50 -9.695 -2.639 2.835 1.00 25.45 N ATOM 742 CA ASP A 50 -9.325 -1.263 3.039 1.00 43.43 C ATOM 743 C ASP A 50 -8.135 -1.222 3.937 1.00 63.32 C ATOM 744 O ASP A 50 -8.051 -1.978 4.930 1.00 12.52 O ATOM 745 CB ASP A 50 -10.469 -0.403 3.599 1.00 45.11 C ATOM 746 CG ASP A 50 -11.614 -0.177 2.624 1.00 75.22 C ATOM 747 OD1 ASP A 50 -12.551 -1.004 2.585 1.00 24.42 O ATOM 748 OD2 ASP A 50 -11.609 0.851 1.903 1.00 43.04 O ATOM 0 H ASP A 50 -10.395 -2.994 3.486 1.00 25.45 H new ATOM 0 HA ASP A 50 -9.085 -0.829 2.068 1.00 43.43 H new ATOM 0 HB2 ASP A 50 -10.861 -0.880 4.498 1.00 45.11 H new ATOM 0 HB3 ASP A 50 -10.067 0.564 3.901 1.00 45.11 H new ATOM 753 N VAL A 51 -7.223 -0.378 3.626 1.00 2.13 N ATOM 754 CA VAL A 51 -5.999 -0.332 4.327 1.00 35.43 C ATOM 755 C VAL A 51 -5.556 1.104 4.550 1.00 53.14 C ATOM 756 O VAL A 51 -5.862 2.006 3.770 1.00 42.42 O ATOM 757 CB VAL A 51 -4.909 -1.159 3.581 1.00 60.31 C ATOM 758 CG1 VAL A 51 -4.573 -0.580 2.209 1.00 54.12 C ATOM 759 CG2 VAL A 51 -3.668 -1.363 4.428 1.00 31.23 C ATOM 0 H VAL A 51 -7.307 0.304 2.872 1.00 2.13 H new ATOM 0 HA VAL A 51 -6.145 -0.784 5.308 1.00 35.43 H new ATOM 0 HB VAL A 51 -5.340 -2.145 3.405 1.00 60.31 H new ATOM 0 HG11 VAL A 51 -3.809 -1.194 1.732 1.00 54.12 H new ATOM 0 HG12 VAL A 51 -5.469 -0.570 1.589 1.00 54.12 H new ATOM 0 HG13 VAL A 51 -4.201 0.438 2.325 1.00 54.12 H new ATOM 0 HG21 VAL A 51 -2.936 -1.944 3.867 1.00 31.23 H new ATOM 0 HG22 VAL A 51 -3.241 -0.394 4.687 1.00 31.23 H new ATOM 0 HG23 VAL A 51 -3.934 -1.897 5.340 1.00 31.23 H new ATOM 769 N ILE A 52 -4.884 1.291 5.616 1.00 11.45 N ATOM 770 CA ILE A 52 -4.373 2.558 6.029 1.00 14.11 C ATOM 771 C ILE A 52 -2.872 2.472 5.914 1.00 0.45 C ATOM 772 O ILE A 52 -2.288 1.452 6.289 1.00 21.05 O ATOM 773 CB ILE A 52 -4.747 2.812 7.509 1.00 3.25 C ATOM 774 CG1 ILE A 52 -6.260 2.675 7.700 1.00 13.25 C ATOM 775 CG2 ILE A 52 -4.270 4.195 7.965 1.00 13.40 C ATOM 776 CD1 ILE A 52 -6.704 2.712 9.141 1.00 51.04 C ATOM 0 H ILE A 52 -4.658 0.536 6.264 1.00 11.45 H new ATOM 0 HA ILE A 52 -4.782 3.364 5.419 1.00 14.11 H new ATOM 0 HB ILE A 52 -4.246 2.065 8.124 1.00 3.25 H new ATOM 0 HG12 ILE A 52 -6.758 3.478 7.157 1.00 13.25 H new ATOM 0 HG13 ILE A 52 -6.588 1.736 7.254 1.00 13.25 H new ATOM 0 HG21 ILE A 52 -4.545 4.349 9.008 1.00 13.40 H new ATOM 0 HG22 ILE A 52 -3.187 4.258 7.862 1.00 13.40 H new ATOM 0 HG23 ILE A 52 -4.738 4.963 7.349 1.00 13.40 H new ATOM 0 HD11 ILE A 52 -7.788 2.609 9.190 1.00 51.04 H new ATOM 0 HD12 ILE A 52 -6.236 1.893 9.687 1.00 51.04 H new ATOM 0 HD13 ILE A 52 -6.409 3.661 9.588 1.00 51.04 H new ATOM 788 N PHE A 53 -2.254 3.480 5.379 1.00 73.45 N ATOM 789 CA PHE A 53 -0.819 3.475 5.236 1.00 62.44 C ATOM 790 C PHE A 53 -0.286 4.867 5.342 1.00 74.23 C ATOM 791 O PHE A 53 -1.052 5.823 5.493 1.00 43.34 O ATOM 792 CB PHE A 53 -0.405 2.863 3.881 1.00 53.52 C ATOM 793 CG PHE A 53 -1.006 3.537 2.675 1.00 60.14 C ATOM 794 CD1 PHE A 53 -2.270 3.196 2.232 1.00 75.12 C ATOM 795 CD2 PHE A 53 -0.299 4.501 1.976 1.00 72.40 C ATOM 796 CE1 PHE A 53 -2.812 3.795 1.127 1.00 63.23 C ATOM 797 CE2 PHE A 53 -0.840 5.105 0.868 1.00 12.32 C ATOM 798 CZ PHE A 53 -2.099 4.749 0.441 1.00 22.23 C ATOM 0 H PHE A 53 -2.716 4.321 5.032 1.00 73.45 H new ATOM 0 HA PHE A 53 -0.400 2.866 6.037 1.00 62.44 H new ATOM 0 HB2 PHE A 53 0.681 2.901 3.798 1.00 53.52 H new ATOM 0 HB3 PHE A 53 -0.689 1.811 3.871 1.00 53.52 H new ATOM 0 HD1 PHE A 53 -2.837 2.447 2.765 1.00 75.12 H new ATOM 0 HD2 PHE A 53 0.690 4.781 2.307 1.00 72.40 H new ATOM 0 HE1 PHE A 53 -3.801 3.518 0.794 1.00 63.23 H new ATOM 0 HE2 PHE A 53 -0.279 5.857 0.333 1.00 12.32 H new ATOM 0 HZ PHE A 53 -2.526 5.219 -0.432 1.00 22.23 H new ATOM 808 N ASP A 54 1.002 4.988 5.261 1.00 3.41 N ATOM 809 CA ASP A 54 1.639 6.255 5.229 1.00 31.41 C ATOM 810 C ASP A 54 2.373 6.288 3.929 1.00 42.53 C ATOM 811 O ASP A 54 2.704 5.230 3.381 1.00 45.43 O ATOM 812 CB ASP A 54 2.606 6.460 6.411 1.00 74.55 C ATOM 813 CG ASP A 54 1.935 6.379 7.777 1.00 3.31 C ATOM 814 OD1 ASP A 54 1.258 7.331 8.197 1.00 72.02 O ATOM 815 OD2 ASP A 54 2.101 5.361 8.461 1.00 1.13 O ATOM 0 H ASP A 54 1.643 4.196 5.215 1.00 3.41 H new ATOM 0 HA ASP A 54 0.909 7.059 5.317 1.00 31.41 H new ATOM 0 HB2 ASP A 54 3.393 5.708 6.358 1.00 74.55 H new ATOM 0 HB3 ASP A 54 3.087 7.433 6.310 1.00 74.55 H new ATOM 820 N LEU A 55 2.613 7.431 3.412 1.00 51.34 N ATOM 821 CA LEU A 55 3.218 7.509 2.120 1.00 54.23 C ATOM 822 C LEU A 55 4.527 8.257 2.118 1.00 41.30 C ATOM 823 O LEU A 55 4.649 9.363 2.663 1.00 41.42 O ATOM 824 CB LEU A 55 2.216 8.060 1.104 1.00 41.31 C ATOM 825 CG LEU A 55 2.678 8.291 -0.338 1.00 13.03 C ATOM 826 CD1 LEU A 55 3.323 7.051 -0.877 1.00 30.14 C ATOM 827 CD2 LEU A 55 1.486 8.655 -1.214 1.00 24.04 C ATOM 0 H LEU A 55 2.405 8.327 3.852 1.00 51.34 H new ATOM 0 HA LEU A 55 3.484 6.496 1.818 1.00 54.23 H new ATOM 0 HB2 LEU A 55 1.368 7.376 1.073 1.00 41.31 H new ATOM 0 HB3 LEU A 55 1.846 9.010 1.488 1.00 41.31 H new ATOM 0 HG LEU A 55 3.400 9.108 -0.345 1.00 13.03 H new ATOM 0 HD11 LEU A 55 3.648 7.226 -1.903 1.00 30.14 H new ATOM 0 HD12 LEU A 55 4.185 6.793 -0.262 1.00 30.14 H new ATOM 0 HD13 LEU A 55 2.606 6.230 -0.859 1.00 30.14 H new ATOM 0 HD21 LEU A 55 1.823 8.818 -2.238 1.00 24.04 H new ATOM 0 HD22 LEU A 55 0.760 7.843 -1.196 1.00 24.04 H new ATOM 0 HD23 LEU A 55 1.021 9.566 -0.836 1.00 24.04 H new ATOM 839 N GLU A 56 5.485 7.622 1.513 1.00 1.22 N ATOM 840 CA GLU A 56 6.812 8.134 1.321 1.00 34.05 C ATOM 841 C GLU A 56 7.189 8.123 -0.122 1.00 31.01 C ATOM 842 O GLU A 56 6.722 7.283 -0.905 1.00 75.32 O ATOM 843 CB GLU A 56 7.836 7.391 2.167 1.00 3.44 C ATOM 844 CG GLU A 56 7.987 7.970 3.548 1.00 31.52 C ATOM 845 CD GLU A 56 8.644 9.336 3.490 1.00 11.31 C ATOM 846 OE1 GLU A 56 7.975 10.329 3.128 1.00 64.01 O ATOM 847 OE2 GLU A 56 9.845 9.432 3.784 1.00 51.21 O ATOM 0 H GLU A 56 5.359 6.689 1.121 1.00 1.22 H new ATOM 0 HA GLU A 56 6.811 9.170 1.659 1.00 34.05 H new ATOM 0 HB2 GLU A 56 7.542 6.344 2.248 1.00 3.44 H new ATOM 0 HB3 GLU A 56 8.802 7.413 1.662 1.00 3.44 H new ATOM 0 HG2 GLU A 56 7.009 8.052 4.022 1.00 31.52 H new ATOM 0 HG3 GLU A 56 8.585 7.300 4.165 1.00 31.52 H new ATOM 854 N GLU A 57 8.018 9.047 -0.478 1.00 2.41 N ATOM 855 CA GLU A 57 8.424 9.204 -1.832 1.00 14.42 C ATOM 856 C GLU A 57 9.800 8.593 -2.043 1.00 5.52 C ATOM 857 O GLU A 57 10.757 8.912 -1.341 1.00 73.41 O ATOM 858 CB GLU A 57 8.384 10.683 -2.224 1.00 1.11 C ATOM 859 CG GLU A 57 7.000 11.303 -2.015 1.00 34.33 C ATOM 860 CD GLU A 57 6.926 12.752 -2.405 1.00 40.14 C ATOM 861 OE1 GLU A 57 7.229 13.629 -1.565 1.00 41.33 O ATOM 862 OE2 GLU A 57 6.558 13.041 -3.553 1.00 32.12 O ATOM 0 H GLU A 57 8.435 9.718 0.167 1.00 2.41 H new ATOM 0 HA GLU A 57 7.730 8.673 -2.484 1.00 14.42 H new ATOM 0 HB2 GLU A 57 9.118 11.233 -1.635 1.00 1.11 H new ATOM 0 HB3 GLU A 57 8.672 10.787 -3.270 1.00 1.11 H new ATOM 0 HG2 GLU A 57 6.268 10.741 -2.595 1.00 34.33 H new ATOM 0 HG3 GLU A 57 6.721 11.203 -0.966 1.00 34.33 H new ATOM 869 N LYS A 58 9.881 7.734 -3.022 1.00 54.11 N ATOM 870 CA LYS A 58 11.085 6.991 -3.367 1.00 33.12 C ATOM 871 C LYS A 58 11.845 7.769 -4.462 1.00 73.50 C ATOM 872 O LYS A 58 12.590 7.201 -5.261 1.00 23.11 O ATOM 873 CB LYS A 58 10.638 5.596 -3.880 1.00 41.43 C ATOM 874 CG LYS A 58 11.754 4.618 -4.227 1.00 70.31 C ATOM 875 CD LYS A 58 12.618 4.294 -3.013 1.00 50.12 C ATOM 876 CE LYS A 58 13.736 3.329 -3.369 1.00 12.42 C ATOM 877 NZ LYS A 58 14.653 3.892 -4.382 1.00 53.02 N ATOM 0 H LYS A 58 9.090 7.517 -3.628 1.00 54.11 H new ATOM 0 HA LYS A 58 11.748 6.868 -2.511 1.00 33.12 H new ATOM 0 HB2 LYS A 58 10.005 5.138 -3.120 1.00 41.43 H new ATOM 0 HB3 LYS A 58 10.020 5.739 -4.766 1.00 41.43 H new ATOM 0 HG2 LYS A 58 11.322 3.698 -4.622 1.00 70.31 H new ATOM 0 HG3 LYS A 58 12.377 5.042 -5.015 1.00 70.31 H new ATOM 0 HD2 LYS A 58 13.043 5.214 -2.612 1.00 50.12 H new ATOM 0 HD3 LYS A 58 11.998 3.861 -2.228 1.00 50.12 H new ATOM 0 HE2 LYS A 58 14.299 3.079 -2.470 1.00 12.42 H new ATOM 0 HE3 LYS A 58 13.307 2.400 -3.745 1.00 12.42 H new ATOM 0 HZ1 LYS A 58 15.519 3.318 -4.424 1.00 53.02 H new ATOM 0 HZ2 LYS A 58 14.188 3.886 -5.312 1.00 53.02 H new ATOM 0 HZ3 LYS A 58 14.898 4.869 -4.124 1.00 53.02 H new ATOM 891 N GLN A 59 11.665 9.088 -4.434 1.00 43.33 N ATOM 892 CA GLN A 59 12.225 10.017 -5.414 1.00 61.23 C ATOM 893 C GLN A 59 11.587 9.711 -6.775 1.00 4.50 C ATOM 894 O GLN A 59 12.036 8.833 -7.519 1.00 23.41 O ATOM 895 CB GLN A 59 13.791 9.934 -5.444 1.00 74.20 C ATOM 896 CG GLN A 59 14.554 11.050 -6.201 1.00 31.14 C ATOM 897 CD GLN A 59 14.232 11.156 -7.679 1.00 25.32 C ATOM 898 OE1 GLN A 59 14.850 10.499 -8.504 1.00 23.01 O ATOM 899 NE2 GLN A 59 13.306 12.013 -8.018 1.00 50.42 N ATOM 0 H GLN A 59 11.113 9.552 -3.712 1.00 43.33 H new ATOM 0 HA GLN A 59 11.994 11.046 -5.140 1.00 61.23 H new ATOM 0 HB2 GLN A 59 14.147 9.923 -4.414 1.00 74.20 H new ATOM 0 HB3 GLN A 59 14.068 8.977 -5.887 1.00 74.20 H new ATOM 0 HG2 GLN A 59 14.333 12.006 -5.727 1.00 31.14 H new ATOM 0 HG3 GLN A 59 15.624 10.878 -6.089 1.00 31.14 H new ATOM 0 HE21 GLN A 59 12.813 12.542 -7.299 1.00 50.42 H new ATOM 0 HE22 GLN A 59 13.076 12.153 -9.002 1.00 50.42 H new ATOM 908 N GLY A 60 10.496 10.381 -7.047 1.00 12.12 N ATOM 909 CA GLY A 60 9.772 10.166 -8.272 1.00 42.43 C ATOM 910 C GLY A 60 8.683 9.127 -8.105 1.00 51.50 C ATOM 911 O GLY A 60 7.557 9.314 -8.561 1.00 51.03 O ATOM 0 H GLY A 60 10.088 11.085 -6.431 1.00 12.12 H new ATOM 0 HA2 GLY A 60 9.330 11.106 -8.603 1.00 42.43 H new ATOM 0 HA3 GLY A 60 10.463 9.846 -9.052 1.00 42.43 H new ATOM 915 N LYS A 61 9.016 8.036 -7.449 1.00 3.10 N ATOM 916 CA LYS A 61 8.068 6.970 -7.222 1.00 15.33 C ATOM 917 C LYS A 61 7.431 7.123 -5.841 1.00 2.31 C ATOM 918 O LYS A 61 8.034 7.695 -4.940 1.00 62.01 O ATOM 919 CB LYS A 61 8.766 5.609 -7.360 1.00 41.24 C ATOM 920 CG LYS A 61 9.410 5.366 -8.730 1.00 52.03 C ATOM 921 CD LYS A 61 8.392 5.419 -9.876 1.00 35.34 C ATOM 922 CE LYS A 61 7.335 4.331 -9.756 1.00 44.22 C ATOM 923 NZ LYS A 61 6.356 4.390 -10.853 1.00 23.34 N ATOM 0 H LYS A 61 9.944 7.865 -7.061 1.00 3.10 H new ATOM 0 HA LYS A 61 7.277 7.025 -7.970 1.00 15.33 H new ATOM 0 HB2 LYS A 61 9.534 5.528 -6.591 1.00 41.24 H new ATOM 0 HB3 LYS A 61 8.039 4.820 -7.168 1.00 41.24 H new ATOM 0 HG2 LYS A 61 10.184 6.114 -8.901 1.00 52.03 H new ATOM 0 HG3 LYS A 61 9.901 4.393 -8.729 1.00 52.03 H new ATOM 0 HD2 LYS A 61 7.907 6.395 -9.884 1.00 35.34 H new ATOM 0 HD3 LYS A 61 8.913 5.314 -10.828 1.00 35.34 H new ATOM 0 HE2 LYS A 61 7.819 3.354 -9.754 1.00 44.22 H new ATOM 0 HE3 LYS A 61 6.817 4.432 -8.802 1.00 44.22 H new ATOM 0 HZ1 LYS A 61 5.654 3.632 -10.733 1.00 23.34 H new ATOM 0 HZ2 LYS A 61 5.875 5.312 -10.840 1.00 23.34 H new ATOM 0 HZ3 LYS A 61 6.846 4.268 -11.762 1.00 23.34 H new ATOM 937 N ALA A 62 6.236 6.625 -5.687 1.00 24.44 N ATOM 938 CA ALA A 62 5.500 6.737 -4.441 1.00 15.44 C ATOM 939 C ALA A 62 5.055 5.362 -3.982 1.00 62.30 C ATOM 940 O ALA A 62 4.351 4.669 -4.713 1.00 34.41 O ATOM 941 CB ALA A 62 4.284 7.638 -4.648 1.00 63.03 C ATOM 0 H ALA A 62 5.735 6.125 -6.422 1.00 24.44 H new ATOM 0 HA ALA A 62 6.144 7.173 -3.677 1.00 15.44 H new ATOM 0 HB1 ALA A 62 3.731 7.723 -3.713 1.00 63.03 H new ATOM 0 HB2 ALA A 62 4.614 8.627 -4.965 1.00 63.03 H new ATOM 0 HB3 ALA A 62 3.639 7.208 -5.414 1.00 63.03 H new ATOM 947 N TYR A 63 5.445 4.965 -2.783 1.00 14.00 N ATOM 948 CA TYR A 63 5.079 3.650 -2.288 1.00 32.31 C ATOM 949 C TYR A 63 4.500 3.712 -0.889 1.00 4.34 C ATOM 950 O TYR A 63 4.955 4.488 -0.035 1.00 72.13 O ATOM 951 CB TYR A 63 6.245 2.651 -2.359 1.00 35.44 C ATOM 952 CG TYR A 63 7.453 2.934 -1.480 1.00 50.25 C ATOM 953 CD1 TYR A 63 8.195 4.103 -1.607 1.00 1.15 C ATOM 954 CD2 TYR A 63 7.862 2.000 -0.539 1.00 61.51 C ATOM 955 CE1 TYR A 63 9.305 4.329 -0.816 1.00 14.30 C ATOM 956 CE2 TYR A 63 8.963 2.223 0.254 1.00 42.15 C ATOM 957 CZ TYR A 63 9.680 3.387 0.112 1.00 2.41 C ATOM 958 OH TYR A 63 10.787 3.598 0.896 1.00 15.44 O ATOM 0 H TYR A 63 6.007 5.525 -2.142 1.00 14.00 H new ATOM 0 HA TYR A 63 4.298 3.282 -2.954 1.00 32.31 H new ATOM 0 HB2 TYR A 63 5.861 1.664 -2.100 1.00 35.44 H new ATOM 0 HB3 TYR A 63 6.584 2.599 -3.394 1.00 35.44 H new ATOM 0 HD1 TYR A 63 7.900 4.845 -2.334 1.00 1.15 H new ATOM 0 HD2 TYR A 63 7.306 1.081 -0.427 1.00 61.51 H new ATOM 0 HE1 TYR A 63 9.874 5.240 -0.926 1.00 14.30 H new ATOM 0 HE2 TYR A 63 9.263 1.487 0.985 1.00 42.15 H new ATOM 0 HH TYR A 63 10.911 2.836 1.499 1.00 15.44 H new ATOM 968 N ALA A 64 3.493 2.912 -0.687 1.00 5.21 N ATOM 969 CA ALA A 64 2.786 2.812 0.571 1.00 24.33 C ATOM 970 C ALA A 64 3.634 2.086 1.575 1.00 4.20 C ATOM 971 O ALA A 64 4.271 1.074 1.254 1.00 31.14 O ATOM 972 CB ALA A 64 1.471 2.076 0.356 1.00 11.34 C ATOM 0 H ALA A 64 3.126 2.291 -1.408 1.00 5.21 H new ATOM 0 HA ALA A 64 2.575 3.811 0.952 1.00 24.33 H new ATOM 0 HB1 ALA A 64 0.937 2.000 1.303 1.00 11.34 H new ATOM 0 HB2 ALA A 64 0.860 2.624 -0.361 1.00 11.34 H new ATOM 0 HB3 ALA A 64 1.672 1.076 -0.028 1.00 11.34 H new ATOM 978 N VAL A 65 3.657 2.610 2.771 1.00 51.10 N ATOM 979 CA VAL A 65 4.421 2.040 3.872 1.00 21.33 C ATOM 980 C VAL A 65 3.591 2.060 5.131 1.00 0.04 C ATOM 981 O VAL A 65 2.597 2.769 5.191 1.00 24.22 O ATOM 982 CB VAL A 65 5.784 2.778 4.139 1.00 20.32 C ATOM 983 CG1 VAL A 65 6.712 2.682 2.946 1.00 63.13 C ATOM 984 CG2 VAL A 65 5.568 4.237 4.530 1.00 13.22 C ATOM 0 H VAL A 65 3.143 3.455 3.021 1.00 51.10 H new ATOM 0 HA VAL A 65 4.665 1.018 3.581 1.00 21.33 H new ATOM 0 HB VAL A 65 6.258 2.270 4.979 1.00 20.32 H new ATOM 0 HG11 VAL A 65 7.644 3.203 3.167 1.00 63.13 H new ATOM 0 HG12 VAL A 65 6.924 1.634 2.733 1.00 63.13 H new ATOM 0 HG13 VAL A 65 6.237 3.140 2.078 1.00 63.13 H new ATOM 0 HG21 VAL A 65 6.533 4.713 4.706 1.00 13.22 H new ATOM 0 HG22 VAL A 65 5.049 4.756 3.725 1.00 13.22 H new ATOM 0 HG23 VAL A 65 4.968 4.285 5.439 1.00 13.22 H new ATOM 994 N ASN A 66 4.004 1.271 6.121 1.00 40.43 N ATOM 995 CA ASN A 66 3.337 1.200 7.440 1.00 43.24 C ATOM 996 C ASN A 66 1.867 0.832 7.290 1.00 14.30 C ATOM 997 O ASN A 66 0.981 1.635 7.575 1.00 23.21 O ATOM 998 CB ASN A 66 3.451 2.525 8.203 1.00 72.14 C ATOM 999 CG ASN A 66 3.069 2.396 9.684 1.00 24.15 C ATOM 1000 OD1 ASN A 66 3.244 1.332 10.297 1.00 24.12 O ATOM 1001 ND2 ASN A 66 2.542 3.450 10.252 1.00 53.00 N ATOM 0 H ASN A 66 4.814 0.656 6.040 1.00 40.43 H new ATOM 0 HA ASN A 66 3.847 0.423 8.010 1.00 43.24 H new ATOM 0 HB2 ASN A 66 4.473 2.895 8.128 1.00 72.14 H new ATOM 0 HB3 ASN A 66 2.808 3.267 7.730 1.00 72.14 H new ATOM 0 HD21 ASN A 66 2.259 3.414 11.231 1.00 53.00 H new ATOM 0 HD22 ASN A 66 2.414 4.308 9.715 1.00 53.00 H new ATOM 1008 N LEU A 67 1.604 -0.343 6.787 1.00 15.23 N ATOM 1009 CA LEU A 67 0.234 -0.723 6.534 1.00 31.10 C ATOM 1010 C LEU A 67 -0.511 -1.083 7.810 1.00 30.22 C ATOM 1011 O LEU A 67 0.076 -1.556 8.789 1.00 3.14 O ATOM 1012 CB LEU A 67 0.130 -1.873 5.543 1.00 62.31 C ATOM 1013 CG LEU A 67 0.792 -1.693 4.177 1.00 63.42 C ATOM 1014 CD1 LEU A 67 0.373 -2.796 3.284 1.00 54.53 C ATOM 1015 CD2 LEU A 67 0.454 -0.366 3.545 1.00 72.44 C ATOM 0 H LEU A 67 2.303 -1.045 6.546 1.00 15.23 H new ATOM 0 HA LEU A 67 -0.237 0.157 6.096 1.00 31.10 H new ATOM 0 HB2 LEU A 67 0.560 -2.759 6.010 1.00 62.31 H new ATOM 0 HB3 LEU A 67 -0.927 -2.080 5.379 1.00 62.31 H new ATOM 0 HG LEU A 67 1.872 -1.712 4.325 1.00 63.42 H new ATOM 0 HD11 LEU A 67 0.842 -2.672 2.308 1.00 54.53 H new ATOM 0 HD12 LEU A 67 0.678 -3.749 3.715 1.00 54.53 H new ATOM 0 HD13 LEU A 67 -0.711 -2.780 3.170 1.00 54.53 H new ATOM 0 HD21 LEU A 67 0.949 -0.288 2.577 1.00 72.44 H new ATOM 0 HD22 LEU A 67 -0.625 -0.292 3.408 1.00 72.44 H new ATOM 0 HD23 LEU A 67 0.794 0.442 4.192 1.00 72.44 H new ATOM 1027 N ARG A 68 -1.786 -0.833 7.787 1.00 1.33 N ATOM 1028 CA ARG A 68 -2.689 -1.152 8.854 1.00 15.25 C ATOM 1029 C ARG A 68 -4.039 -1.447 8.228 1.00 33.34 C ATOM 1030 O ARG A 68 -4.499 -0.681 7.405 1.00 54.21 O ATOM 1031 CB ARG A 68 -2.819 0.069 9.782 1.00 45.04 C ATOM 1032 CG ARG A 68 -3.725 -0.116 10.968 1.00 11.43 C ATOM 1033 CD ARG A 68 -3.174 -1.171 11.888 1.00 4.14 C ATOM 1034 NE ARG A 68 -1.836 -0.829 12.368 1.00 73.41 N ATOM 1035 CZ ARG A 68 -1.150 -1.499 13.295 1.00 64.03 C ATOM 1036 NH1 ARG A 68 -1.698 -2.534 13.924 1.00 11.10 N ATOM 1037 NH2 ARG A 68 0.082 -1.115 13.599 1.00 54.13 N ATOM 0 H ARG A 68 -2.244 -0.384 6.994 1.00 1.33 H new ATOM 0 HA ARG A 68 -2.331 -2.006 9.430 1.00 15.25 H new ATOM 0 HB2 ARG A 68 -1.826 0.337 10.143 1.00 45.04 H new ATOM 0 HB3 ARG A 68 -3.184 0.913 9.196 1.00 45.04 H new ATOM 0 HG2 ARG A 68 -3.828 0.827 11.506 1.00 11.43 H new ATOM 0 HG3 ARG A 68 -4.722 -0.402 10.632 1.00 11.43 H new ATOM 0 HD2 ARG A 68 -3.844 -1.297 12.739 1.00 4.14 H new ATOM 0 HD3 ARG A 68 -3.139 -2.127 11.365 1.00 4.14 H new ATOM 0 HE ARG A 68 -1.389 -0.008 11.959 1.00 73.41 H new ATOM 0 HH11 ARG A 68 -2.650 -2.821 13.699 1.00 11.10 H new ATOM 0 HH12 ARG A 68 -1.166 -3.041 14.632 1.00 11.10 H new ATOM 0 HH21 ARG A 68 0.498 -0.313 13.125 1.00 54.13 H new ATOM 0 HH22 ARG A 68 0.614 -1.621 14.307 1.00 54.13 H new ATOM 1051 N ILE A 69 -4.663 -2.538 8.590 1.00 11.12 N ATOM 1052 CA ILE A 69 -5.956 -2.844 8.066 1.00 51.32 C ATOM 1053 C ILE A 69 -7.023 -1.981 8.692 1.00 50.40 C ATOM 1054 O ILE A 69 -6.985 -1.699 9.900 1.00 62.13 O ATOM 1055 CB ILE A 69 -6.340 -4.345 8.188 1.00 61.15 C ATOM 1056 CG1 ILE A 69 -6.293 -4.915 9.652 1.00 34.40 C ATOM 1057 CG2 ILE A 69 -5.544 -5.196 7.224 1.00 53.43 C ATOM 1058 CD1 ILE A 69 -4.941 -4.924 10.371 1.00 31.15 C ATOM 0 H ILE A 69 -4.292 -3.225 9.246 1.00 11.12 H new ATOM 0 HA ILE A 69 -5.895 -2.622 7.001 1.00 51.32 H new ATOM 0 HB ILE A 69 -7.392 -4.398 7.906 1.00 61.15 H new ATOM 0 HG12 ILE A 69 -6.991 -4.338 10.259 1.00 34.40 H new ATOM 0 HG13 ILE A 69 -6.665 -5.939 9.625 1.00 34.40 H new ATOM 0 HG21 ILE A 69 -5.836 -6.240 7.334 1.00 53.43 H new ATOM 0 HG22 ILE A 69 -5.741 -4.870 6.203 1.00 53.43 H new ATOM 0 HG23 ILE A 69 -4.481 -5.092 7.439 1.00 53.43 H new ATOM 0 HD11 ILE A 69 -5.063 -5.344 11.369 1.00 31.15 H new ATOM 0 HD12 ILE A 69 -4.233 -5.530 9.806 1.00 31.15 H new ATOM 0 HD13 ILE A 69 -4.564 -3.904 10.450 1.00 31.15 H new ATOM 1070 N LYS A 70 -7.920 -1.514 7.861 1.00 22.24 N ATOM 1071 CA LYS A 70 -9.043 -0.724 8.296 1.00 63.10 C ATOM 1072 C LYS A 70 -10.012 -1.596 9.096 1.00 24.43 C ATOM 1073 O LYS A 70 -10.796 -2.358 8.465 1.00 37.50 O ATOM 1074 CB LYS A 70 -9.778 -0.128 7.107 1.00 64.01 C ATOM 1075 CG LYS A 70 -10.873 0.810 7.522 1.00 10.32 C ATOM 1076 CD LYS A 70 -11.658 1.322 6.344 1.00 52.23 C ATOM 1077 CE LYS A 70 -12.781 2.215 6.804 1.00 73.04 C ATOM 1078 NZ LYS A 70 -13.626 2.661 5.686 1.00 45.32 N ATOM 1079 OXT LYS A 70 -10.011 -1.520 10.337 1.00 37.50 O ATOM 0 H LYS A 70 -7.891 -1.673 6.854 1.00 22.24 H new ATOM 0 HA LYS A 70 -8.667 0.085 8.922 1.00 63.10 H new ATOM 0 HB2 LYS A 70 -9.068 0.404 6.474 1.00 64.01 H new ATOM 0 HB3 LYS A 70 -10.201 -0.932 6.505 1.00 64.01 H new ATOM 0 HG2 LYS A 70 -11.546 0.299 8.211 1.00 10.32 H new ATOM 0 HG3 LYS A 70 -10.442 1.652 8.063 1.00 10.32 H new ATOM 0 HD2 LYS A 70 -10.999 1.873 5.673 1.00 52.23 H new ATOM 0 HD3 LYS A 70 -12.062 0.483 5.777 1.00 52.23 H new ATOM 0 HE2 LYS A 70 -13.394 1.681 7.531 1.00 73.04 H new ATOM 0 HE3 LYS A 70 -12.367 3.085 7.314 1.00 73.04 H new ATOM 0 HZ1 LYS A 70 -14.385 3.273 6.047 1.00 45.32 H new ATOM 0 HZ2 LYS A 70 -13.048 3.193 5.005 1.00 45.32 H new ATOM 0 HZ3 LYS A 70 -14.043 1.833 5.214 1.00 45.32 H new TER 1093 LYS A 70